diff --git a/arkane/statmech.py b/arkane/statmech.py index 4380bad121f..c5ab9fffe57 100644 --- a/arkane/statmech.py +++ b/arkane/statmech.py @@ -575,6 +575,8 @@ def create_log(log_path, check_for_errors=True): # and the zero point energy scaling factor, see https://pubs.acs.org/doi/10.1021/ct100326h Section 3.1.3. zpe_scale_factor = self.frequencyScaleFactor / 1.014 + e_electronic_with_corrections, zpe = 0, 0 + logging.debug(' Reading energy...') if e0 is None: if e_electronic is None: @@ -686,7 +688,7 @@ def create_log(log_path, check_for_errors=True): # Set the difference as the isodesmic EO correction e_electronic_with_corrections += isodesmic_thermo.value_si - uncorrected_thermo - e0 = e_electronic_with_corrections + zpe + e0 = e_electronic_with_corrections + zpe if e0 is None else e0 logging.debug(' E0 (0 K) = {0:g} kcal/mol'.format(e0 / 4184.)) conformer.E0 = (e0 * 0.001, "kJ/mol") @@ -711,7 +713,7 @@ def create_log(log_path, check_for_errors=True): else: self.supporting_info.append(None) self.supporting_info.append(e_electronic) - self.supporting_info.append(e_electronic + zpe) + self.supporting_info.append(e_electronic + zpe if e_electronic is not None and zpe is not None else None) self.supporting_info.append(e0) self.supporting_info.append(list([symbol_by_number[x] for x in number])) # atom symbols self.supporting_info.append(coordinates) diff --git a/examples/arkane/species/OCHO/OCHO.py b/examples/arkane/species/OCHO/OCHO.py new file mode 100644 index 00000000000..dd975714556 --- /dev/null +++ b/examples/arkane/species/OCHO/OCHO.py @@ -0,0 +1,14 @@ +#!/usr/bin/env python3 +# encoding: utf-8 + +externalSymmetry = 2 + +spinMultiplicity = 2 + +opticalIsomers = 1 + +energy = (-342.84,'kJ/mol') + +geometry = Log('freq.out') + +frequencies = Log('freq.out') diff --git a/examples/arkane/species/OCHO/freq.out b/examples/arkane/species/OCHO/freq.out new file mode 100644 index 00000000000..c05fe63786d --- /dev/null +++ b/examples/arkane/species/OCHO/freq.out @@ -0,0 +1,1336 @@ + Entering Gaussian System, Link 0=g09 + Initial command: + /usr/local/g09/l1.exe "/gtmp/jintaowu/scratch/g09/968294.zeus-master/Gau-2013201.inp" -scrdir="/gtmp/jintaowu/scratch/g09/968294.zeus-master/" + Entering Link 1 = /usr/local/g09/l1.exe PID= 2013202. + + Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, + Gaussian, Inc. All Rights Reserved. + + This is part of the Gaussian(R) 09 program. It is based on + the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), + the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), + the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), + the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), + the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), + the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), + the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon + University), and the Gaussian 82(TM) system (copyright 1983, + Carnegie Mellon University). Gaussian is a federally registered + trademark of Gaussian, Inc. + + This software contains proprietary and confidential information, + including trade secrets, belonging to Gaussian, Inc. + + This software is provided under written license and may be + used, copied, transmitted, or stored only in accord with that + written license. + + The following legend is applicable only to US Government + contracts under FAR: + + RESTRICTED RIGHTS LEGEND + + Use, reproduction and disclosure by the US Government is + subject to restrictions as set forth in subparagraphs (a) + and (c) of the Commercial Computer Software - Restricted + Rights clause in FAR 52.227-19. + + Gaussian, Inc. + 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 + + + --------------------------------------------------------------- + Warning -- This program may not be used in any manner that + competes with the business of Gaussian, Inc. or will provide + assistance to any competitor of Gaussian, Inc. The licensee + of this program is prohibited from giving any competitor of + Gaussian, Inc. access to this program. By using this program, + the user acknowledges that Gaussian, Inc. is engaged in the + business of creating and licensing software in the field of + computational chemistry and represents and warrants to the + licensee that it is not a competitor of Gaussian, Inc. and that + it will not use this program in any manner prohibited above. + --------------------------------------------------------------- + + + Cite this work as: + Gaussian 09, Revision D.01, + M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, + M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, + G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, + A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, + M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, + Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., + J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, + K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, + K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, + M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, + V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, + O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, + R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, + P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, + O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, + and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. + + ****************************************** + Gaussian 09: EM64L-G09RevD.01 24-Apr-2013 + 16-Jan-2025 + ****************************************** + %chk=check.chk + %mem=184320mb + %NProcShared=16 + Will use up to 16 processors via shared memory. + ---------------------------------------------------------------------- + #P guess=read ub2plypd3/def2tzvp freq IOp(7/33=1) integral=(grid=ultra + fine, Acc2E=12) IOp(2/9=2000) scf=(direct,tight) + ---------------------------------------------------------------------- + 1/10=4,30=1,38=1/1,3; + 2/9=2000,12=2,17=6,18=5,40=1/2; + 3/5=44,7=101,11=2,16=1,25=1,30=1,71=2,74=-60,75=-5,116=2,140=1/1,2,3; + 4/5=1/1; + 5/5=2,32=2,38=6,87=12,98=1/2; + 8/6=3,8=1,10=1,19=11,30=-1,87=12/1; + 9/15=3,16=-3,87=12/6; + 11/6=1,8=1,15=11,17=12,24=-1,27=1,28=-2,29=300,32=6,42=3,87=12/1,2,10; + 10/6=2,21=1,87=12/2; + 8/6=4,8=1,10=1,19=11,30=-1,87=12/11,4; + 10/5=1,20=4,87=12/2; + 11/12=2,14=11,16=1,17=2,28=-2,42=3,87=12/2,10,12; + 6/7=2,8=2,9=2,10=2/1; + 7/8=1,10=1,12=2,25=1,33=1,44=2,87=12/1,2,3,16; + 1/10=4,30=1/3; + 99//99; + Leave Link 1 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 0.6 + (Enter /usr/local/g09/l101.exe) + ---- + OCHO + ---- + Symbolic Z-matrix: + Charge = 0 Multiplicity = 2 + O 1.16019 -0.35657 0.02978 + C -0.01753 0.07206 -0.00045 + O -0.86664 -0.84999 -0.02219 + H -0.27602 1.1345 -0.00714 + + NAtoms= 4 NQM= 4 NQMF= 0 NMMI= 0 NMMIF= 0 + NMic= 0 NMicF= 0. + Isotopes and Nuclear Properties: + (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) + in nuclear magnetons) + + Atom 1 2 3 4 + IAtWgt= 16 12 16 1 + AtmWgt= 15.9949146 12.0000000 15.9949146 1.0078250 + NucSpn= 0 0 0 1 + AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 + NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 + NMagM= 0.0000000 0.0000000 0.0000000 2.7928460 + AtZNuc= 8.0000000 6.0000000 8.0000000 1.0000000 + Leave Link 101 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 0.5 + (Enter /usr/local/g09/l103.exe) + + GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad + Berny optimization. + Initialization pass. + Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 + Number of steps in this run= 2 maximum allowed number of steps= 2. + GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad + + Leave Link 103 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 0.1 + (Enter /usr/local/g09/l202.exe) + Input orientation: + --------------------------------------------------------------------- + Center Atomic Atomic Coordinates (Angstroms) + Number Number Type X Y Z + --------------------------------------------------------------------- + 1 8 0 1.160188 -0.356566 0.029781 + 2 6 0 -0.017527 0.072059 -0.000452 + 3 8 0 -0.866638 -0.849990 -0.022189 + 4 1 0 -0.276021 1.134498 -0.007140 + --------------------------------------------------------------------- + Distance matrix (angstroms): + 1 2 3 4 + 1 O 0.000000 + 2 C 1.253653 0.000000 + 3 O 2.086670 1.253649 0.000000 + 4 H 2.070587 1.093453 2.070567 0.000000 + Stoichiometry CHO2(2) + Framework group C1[X(CHO2)] + Deg. of freedom 6 + Full point group C1 NOp 1 + Largest Abelian subgroup C1 NOp 1 + Largest concise Abelian subgroup C1 NOp 1 + Standard orientation: + --------------------------------------------------------------------- + Center Atomic Atomic Coordinates (Angstroms) + Number Number Type X Y Z + --------------------------------------------------------------------- + 1 8 0 -1.043337 -0.259075 0.000000 + 2 6 0 0.000002 0.435971 -0.000001 + 3 8 0 1.043333 -0.259081 0.000000 + 4 1 0 0.000023 1.529424 0.000002 + --------------------------------------------------------------------- + Rotational constants (GHZ): 75.0432824 14.5130173 12.1611150 + Leave Link 202 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 0.0 + (Enter /usr/local/g09/l301.exe) + Standard basis: def2TZVP (5D, 7F) + Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. + There are 114 symmetry adapted cartesian basis functions of A symmetry. + There are 99 symmetry adapted basis functions of A symmetry. + 99 basis functions, 161 primitive gaussians, 114 cartesian basis functions + 12 alpha electrons 11 beta electrons + nuclear repulsion energy 63.7455969840 Hartrees. + IExCor= 419 DFT=T Ex+Corr=B2PLYPD3 ExCW=0 ScaHFX= 0.530000 + ScaDFX= 0.470000 0.470000 0.730000 0.730000 ScalE2= 0.270000 0.270000 + IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 + NAtoms= 4 NActive= 4 NUniq= 4 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F + Integral buffers will be 131072 words long. + Raffenetti 2 integral format. + Two-electron integral symmetry is turned on. + R6Disp: Grimme-D3(BJ) Dispersion energy= -0.0010312063 Hartrees. + Nuclear repulsion after empirical dispersion term = 63.7445657777 Hartrees. + Leave Link 301 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 0.3 + (Enter /usr/local/g09/l302.exe) + NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 + NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. + One-electron integrals computed using PRISM. + 1 Symmetry operations used in ECPInt. + ECPInt: NShTT= 703 NPrTT= 2280 LenC2= 701 LenP2D= 2013. + LDataN: DoStor=T MaxTD1= 6 Len= 172 + NBasis= 99 RedAO= T EigKep= 1.33D-03 NBF= 99 + NBsUse= 99 1.00D-06 EigRej= -1.00D+00 NBFU= 99 + Precomputing XC quadrature grid using + IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. + Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 + NSgBfM= 114 114 114 114 114 MxSgAt= 4 MxSgA2= 4. + Leave Link 302 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 1.9 + (Enter /usr/local/g09/l303.exe) + DipDrv: MaxL=1. + Leave Link 303 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 0.2 + (Enter /usr/local/g09/l401.exe) + Initial guess from the checkpoint file: "check.chk" + B after Tr= 0.000010 0.683722 0.000001 + Rot= 0.012729 -0.119068 0.992803 -0.001552 Ang=-178.54 deg. + Guess basis will be translated and rotated to current coordinates. + JPrj=2 DoOrth=T DoCkMO=T. + Initial guess = 0.0000 = 0.0000 = 0.5000 = 0.7674 S= 0.5086 + Leave Link 401 at Thu Jan 16 16:09:25 2025, MaxMem= 24159191040 cpu: 1.1 + (Enter /usr/local/g09/l502.exe) + UHF open shell SCF: + Using DIIS extrapolation, IDIIS= 1040. + Integral symmetry usage will be decided dynamically. + Keep R1 and R2 ints in memory in canonical form, NReq=26550013. + IVT= 60190 IEndB= 60190 NGot= 24159191040 MDV= 24134623401 + LenX= 24134623401 LenY= 24134609964 + Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. + Requested convergence on MAX density matrix=1.00D-06. + Requested convergence on energy=1.00D-06. + No special actions if energy rises. + FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 4950 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + + Cycle 1 Pass 1 IDiag 1: + E= -188.831667109921 + DIIS: error= 1.19D-07 at cycle 1 NSaved= 1. + NSaved= 1 IEnMin= 1 EnMin= -188.831667109921 IErMin= 1 ErrMin= 1.19D-07 + ErrMax= 1.19D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-12 BMatP= 3.87D-12 + IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 + Coeff-Com: 0.100D+01 + Coeff: 0.100D+01 + Gap= 0.452 Goal= None Shift= 0.000 + Gap= 0.227 Goal= None Shift= 0.000 + RMSDP=2.53D-08 MaxDP=5.50D-07 OVMax= 8.46D-07 + + Cycle 2 Pass 1 IDiag 1: + E= -188.831667109922 Delta-E= 0.000000000000 Rises=F Damp=F + DIIS: error= 4.95D-08 at cycle 2 NSaved= 2. + NSaved= 2 IEnMin= 2 EnMin= -188.831667109922 IErMin= 2 ErrMin= 4.95D-08 + ErrMax= 4.95D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.47D-13 BMatP= 3.87D-12 + IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 + Coeff-Com: -0.478D-01 0.105D+01 + Coeff: -0.478D-01 0.105D+01 + Gap= 0.452 Goal= None Shift= 0.000 + Gap= 0.227 Goal= None Shift= 0.000 + RMSDP=7.26D-09 MaxDP=1.34D-07 DE=-4.55D-13 OVMax= 9.94D-07 + + SCF Done: E(UB2PLYPD3) = -188.831667110 A.U. after 2 cycles + NFock= 2 Conv=0.73D-08 -V/T= 2.0030 + = 0.0000 = 0.0000 = 0.5000 = 0.7674 S= 0.5086 + = 0.000000000000E+00 + KE= 1.882753720078D+02 PE=-5.726976462364D+02 EE= 1.318460413409D+02 + Annihilation of the first spin contaminant: + S**2 before annihilation 0.7674, after 0.7501 + Leave Link 502 at Thu Jan 16 16:09:26 2025, MaxMem= 24159191040 cpu: 12.5 + (Enter /usr/local/g09/l801.exe) + DoSCS=T DFT=T ScalE2(SS,OS)= 0.270000 0.270000 + ExpMin= 9.52D-02 ExpMax= 2.70D+04 ExpMxC= 9.22D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 + HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14 + ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 + Largest valence mixing into a core orbital is 9.46D-05 + Largest core mixing into a valence orbital is 1.58D-05 + Largest valence mixing into a core orbital is 9.27D-05 + Largest core mixing into a valence orbital is 1.68D-05 + Range of M.O.s used for correlation: 4 99 + NBasis= 99 NAE= 12 NBE= 11 NFC= 3 NFV= 0 + NROrb= 96 NOA= 9 NOB= 8 NVA= 87 NVB= 88 + + **** Warning!!: The largest alpha MO coefficient is 0.11634593D+02 + + + **** Warning!!: The largest beta MO coefficient is 0.11761201D+02 + + Leave Link 801 at Thu Jan 16 16:09:26 2025, MaxMem= 24159191040 cpu: 0.5 + (Enter /usr/local/g09/l906.exe) + DoSCS=T DFT=T ScalE2(SS,OS)= 0.270000 0.270000 + Frozen-core derivative calculation, NFC= 3 NFV= 0. + FulOut=F Deriv=T AODrv=T NAtomX= 4 + MMem= 0 MDisk= 9 MDiskD= 9 + W3Min= 270864 MinDsk= 473795 NBas6D= 114 + NBas2D= 6810 NTT= 6555 LW2= 7400000 + MDV= 24159026317 MDiskM= 1059518 NBas2p= 6805 + Disk-based method using ON**2 memory for 9 occupieds at a time. + Permanent disk used for amplitudes= 1468038 words. + Estimated scratch disk usage= 25258677 words. + IMap= 1 2 3 4 5 6 7 8 9 10 11 12 + Actual scratch disk usage= 24510645 words. + JobTyp=2 Pass 1: I= 4 to 12 NPSUse= 16 ParTrn=T ParDer=T DoDerP=T. + (rs|ai) integrals will be sorted in core. + IMap= 1 2 3 4 5 6 7 8 9 10 11 + Actual scratch disk usage= 24510645 words. + JobTyp=3 Pass 1: I= 4 to 11 NPSUse= 16 ParTrn=T ParDer=T DoDerP=T. + (rs|ai) integrals will be sorted in core. + Spin components of T(2) and E(2): + alpha-alpha T2 = 0.3102162699D-01 E2= -0.2609925659D-01 + alpha-beta T2 = 0.2091039623D+00 E2= -0.1489205330D+00 + beta-beta T2 = 0.6194292438D-01 E2= -0.3023844421D-01 + The integrals were generated 2 times. + E2(B2PLYPD3) = -0.2052582338D+00 E(B2PLYPD3) = -0.18903692534375D+03 + Leave Link 906 at Thu Jan 16 16:10:02 2025, MaxMem= 24159191040 cpu: 560.0 + (Enter /usr/local/g09/l1101.exe) + Using compressed Sx but separate Hx and Fx, NAtomX= 4. + Will process 5 centers per pass. + 1 Symmetry operations used in ECPInt. + ECPInt: NShTT= 703 NPrTT= 2280 LenC2= 701 LenP2D= 2013. + LDataN: DoStor=T MaxTD1= 7 Len= 274 + R6Disp: Adding Grimme-D3(BJ) dispersion energy 1st derivatives to the gradient. + Leave Link 1101 at Thu Jan 16 16:10:02 2025, MaxMem= 24159191040 cpu: 10.5 + (Enter /usr/local/g09/l1102.exe) + Leave Link 1102 at Thu Jan 16 16:10:02 2025, MaxMem= 24159191040 cpu: 0.1 + (Enter /usr/local/g09/l1110.exe) + Forming Gx(P) for the SCF density, NAtomX= 4. + Integral derivatives from FoFJK, PRISM(SPDF). + Do as many integral derivatives as possible in FoFJK. + G2DrvN: MDV= 24159190904. + G2DrvN: will do 5 centers at a time, making 1 passes. + Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 1.00D-12. + FoFJK: IHMeth= 1 ICntrl= 3107 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F + IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. + FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl= 3107 IOpCl= 1 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + End of G2Drv F.D. properties file 721 does not exist. + End of G2Drv F.D. properties file 722 does not exist. + End of G2Drv F.D. properties file 788 does not exist. + Leave Link 1110 at Thu Jan 16 16:10:06 2025, MaxMem= 24159191040 cpu: 61.7 + (Enter /usr/local/g09/l1002.exe) + Minotr: UHF open shell wavefunction. + IDoAtm=1111 + Frozen-core window. + Direct CPHF calculation. + Differentiating once with respect to electric field. + with respect to dipole field. + Differentiating once with respect to nuclear coordinates. + Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. + Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. + NewPWx=T KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T. + MDV= 24159190804 using IRadAn= 1. + Generate precomputed XC quadrature information. + Keep R1 and R2 ints in memory in canonical form, NReq=26506497. + FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 4950 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + Solving linear equations simultaneously, MaxMat= 0. + There are 15 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 15. + 12 vectors produced by pass 0 Test12= 1.34D-14 6.67D-09 XBig12= 7.09D+01 6.91D+00. + AX will form 12 AO Fock derivatives at one time. + 12 vectors produced by pass 1 Test12= 1.34D-14 6.67D-09 XBig12= 3.65D+01 2.28D+00. + 12 vectors produced by pass 2 Test12= 1.34D-14 6.67D-09 XBig12= 1.10D+01 1.02D+00. + 12 vectors produced by pass 3 Test12= 1.34D-14 6.67D-09 XBig12= 1.32D-01 1.03D-01. + 12 vectors produced by pass 4 Test12= 1.34D-14 6.67D-09 XBig12= 1.72D-03 1.30D-02. + 12 vectors produced by pass 5 Test12= 1.34D-14 6.67D-09 XBig12= 2.39D-05 1.49D-03. + 12 vectors produced by pass 6 Test12= 1.34D-14 6.67D-09 XBig12= 2.10D-07 1.11D-04. + 11 vectors produced by pass 7 Test12= 1.34D-14 6.67D-09 XBig12= 2.24D-09 1.07D-05. + 6 vectors produced by pass 8 Test12= 1.34D-14 6.67D-09 XBig12= 1.71D-11 9.29D-07. + 2 vectors produced by pass 9 Test12= 1.34D-14 6.67D-09 XBig12= 1.40D-13 7.85D-08. + 1 vectors produced by pass 10 Test12= 1.34D-14 6.67D-09 XBig12= 8.44D-16 9.74D-09. + InvSVY: IOpt=1 It= 1 EMax= 8.58D-15 + Solved reduced A of dimension 104 with 12 vectors. + FullF1: Do perturbations 1 to 15. + Saving first derivative matrices. + End of Minotr F.D. properties file 721 does not exist. + End of Minotr F.D. properties file 722 does not exist. + End of Minotr F.D. properties file 788 does not exist. + Leave Link 1002 at Thu Jan 16 16:10:13 2025, MaxMem= 24159191040 cpu: 109.1 + (Enter /usr/local/g09/l811.exe) + MDV= 24159191040. + DoSCS=T DFT=T ScalE2(SS,OS)= 0.270000 0.270000 + Form MO integral derivatives with frozen-active canonical formalism. + MOERI=1 MOERIx=1 NAtoms= 4 NAtomX= 4. + Discarding MO integrals. + MO basis two electron integral derivatives will not be stored on disk. + IAlg= 3 DoFC=T DoPWx=T Debug=F. + Frozen-core window: NFC= 3 NFV= 0. + Reordered first order wavefunction length = 5969734 + In DefCFB: NBatch= 1 ICI= 12 ICA= 88 LFMax= 88 + Large arrays: LIAPS= 90829728 LIARS= 60673536 words. + In StABat: MaxSiz= 36 MinSiz= 6 NAtomB= 4 + DoIAMN: NPSUse= 16. + In DefCFB: NBatch= 1 ICI= 12 ICA= 88 LFMax= 88 + Large arrays: LIAPS= 90829728 LIARS= 60673536 words. + In StABat: MaxSiz= 36 MinSiz= 6 NAtomB= 4 + Leave Link 811 at Thu Jan 16 16:10:33 2025, MaxMem= 24159191040 cpu: 318.8 + (Enter /usr/local/g09/l804.exe) + Frozen-core window: NFC= 3 NFV= 0. + Open-shell transformation, MDV= 24159191040 ITran=4 ISComp=1. + Semi-Direct transformation. + ModeAB= 2 MOrb= 12 LenV= 24158582667 + LASXX= 5313561 LTotXX= 5313561 LenRXX= 5313561 + LTotAB= 5553900 MaxLAS= 7787340 LenRXY= 7787340 + NonZer= 10627122 LenScr= 16693248 LnRSAI= 0 + LnScr1= 0 LExtra= 0 Total= 29794149 + MaxDsk= -1 SrtSym= F ITran= 4 + DoSDTr: NPSUse= 16 + JobTyp=1 Pass 1: I= 1 to 12. + (rs|ai) integrals will be sorted in core. + Complete sort for first half transformation. + First half transformation complete. + Begin second half transformation for I= 10. + Begin second half transformation for I= 10. + Complete sort for second half transformation. + Second half transformation complete. + ModeAB= 2 MOrb= 11 LenV= 24158582667 + LASXX= 4907848 LTotXX= 4907848 LenRXX= 7138395 + LTotAB= 3958152 MaxLAS= 7138395 LenRXY= 3958152 + NonZer= 9815696 LenScr= 15493120 LnRSAI= 0 + LnScr1= 0 LExtra= 0 Total= 26589667 + MaxDsk= -1 SrtSym= F ITran= 4 + DoSDTr: NPSUse= 16 + JobTyp=2 Pass 1: I= 1 to 11. + (rs|ai) integrals will be sorted in core. + Complete sort for first half transformation. + First half transformation complete. + Begin second half transformation for I= 10. + Begin second half transformation for I= 10. + Complete sort for second half transformation. + Second half transformation complete. + SymMOI: orbitals are not symmetric. + DoSCS=T DFT=T ScalE2(SS,OS)= 0.270000 0.270000 + Spin components of T(2) and E(2): + alpha-alpha T2 = 0.3102162699D-01 E2= -0.2609925659D-01 + alpha-beta T2 = 0.2091039623D+00 E2= -0.1489205330D+00 + beta-beta T2 = 0.6194292438D-01 E2= -0.3023844421D-01 + E2(B2PLYPD3) = -0.2052582338D+00 E(B2PLYPD3) = -0.18903692534375D+03 + Leave Link 804 at Thu Jan 16 16:10:38 2025, MaxMem= 24159191040 cpu: 75.8 + (Enter /usr/local/g09/l1002.exe) + Minotr: UHF open shell wavefunction. + Computing MP2/KS-MP2 derivatives. + Using Z-Vector for PSCF gradient. + Skipping F1 and S1 gradient terms here. + IDoAtm=1111 + Frozen-core window. + Direct CPHF calculation. + Differentiating once with respect to electric field. + with respect to dipole field. + Differentiating once with respect to nuclear coordinates. + Requested convergence is 1.0D-10 RMS, and 1.0D-09 maximum. + NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. + MDV= 24159190804 using IRadAn= 5. + Using stored XC quadrature information. + Keep R1 and R2 ints in memory in canonical form, NReq=26505311. + FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 4950 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + Solving linear equations separately, MaxMat= 0. + There are 1 degrees of freedom in the 1st order CPHF. IDoFFX=0 NUNeed= 1. + LinEq1: Iter= 0 NonCon= 1 RMS=2.53D-03 Max=6.43D-02 NDo= 1 + AX will form 1 AO Fock derivatives at one time. + LinEq1: Iter= 1 NonCon= 1 RMS=7.67D-04 Max=9.08D-03 NDo= 1 + LinEq1: Iter= 2 NonCon= 1 RMS=2.98D-04 Max=3.98D-03 NDo= 1 + LinEq1: Iter= 3 NonCon= 1 RMS=1.66D-04 Max=2.44D-03 NDo= 1 + LinEq1: Iter= 4 NonCon= 1 RMS=6.29D-05 Max=1.05D-03 NDo= 1 + LinEq1: Iter= 5 NonCon= 1 RMS=1.60D-05 Max=2.19D-04 NDo= 1 + LinEq1: Iter= 6 NonCon= 1 RMS=4.65D-06 Max=9.59D-05 NDo= 1 + LinEq1: Iter= 7 NonCon= 1 RMS=4.63D-06 Max=1.02D-04 NDo= 1 + LinEq1: Iter= 8 NonCon= 1 RMS=2.01D-06 Max=2.46D-05 NDo= 1 + LinEq1: Iter= 9 NonCon= 1 RMS=6.40D-07 Max=1.20D-05 NDo= 1 + LinEq1: Iter= 10 NonCon= 1 RMS=2.78D-07 Max=5.08D-06 NDo= 1 + LinEq1: Iter= 11 NonCon= 1 RMS=7.32D-08 Max=1.21D-06 NDo= 1 + LinEq1: Iter= 12 NonCon= 1 RMS=1.61D-08 Max=1.85D-07 NDo= 1 + LinEq1: Iter= 13 NonCon= 1 RMS=4.69D-09 Max=1.41D-07 NDo= 1 + LinEq1: Iter= 14 NonCon= 1 RMS=1.76D-09 Max=3.69D-08 NDo= 1 + LinEq1: Iter= 15 NonCon= 1 RMS=2.73D-10 Max=5.75D-09 NDo= 1 + LinEq1: Iter= 16 NonCon= 1 RMS=5.59D-11 Max=1.07D-09 NDo= 1 + LinEq1: Iter= 17 NonCon= 0 RMS=1.16D-11 Max=1.42D-10 NDo= 1 + Linear equations converged to 1.000D-10 1.000D-09 after 17 iterations. + End of Minotr F.D. properties file 721 does not exist. + End of Minotr F.D. properties file 722 does not exist. + End of Minotr F.D. properties file 788 does not exist. + Leave Link 1002 at Thu Jan 16 16:10:44 2025, MaxMem= 24159191040 cpu: 97.9 + (Enter /usr/local/g09/l1102.exe) + Use density number 2. + Symmetrizing basis deriv contribution to polar: + IMax=3 JMax=2 DiffMx= 0.00D+00 + Leave Link 1102 at Thu Jan 16 16:10:44 2025, MaxMem= 24159191040 cpu: 0.2 + (Enter /usr/local/g09/l1110.exe) + Forming Gx(P) for generalized density number 2 NAtomX= 4. + Integral derivatives from FoFJK, PRISM(SPDF). + Do as many integral derivatives as possible in FoFJK. + G2DrvN: MDV= 24159190904. + G2DrvN: will do 5 centers at a time, making 1 passes. + Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 1.00D-12. + FoFJK: IHMeth= 1 ICntrl= 3107 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F + IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. + FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl= 3107 IOpCl= 1 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + End of G2Drv F.D. properties file 721 does not exist. + End of G2Drv F.D. properties file 722 does not exist. + End of G2Drv F.D. properties file 788 does not exist. + Leave Link 1110 at Thu Jan 16 16:10:48 2025, MaxMem= 24159191040 cpu: 66.3 + (Enter /usr/local/g09/l1112.exe) + MP22nd: MDV= 24159191040 + DoSCS=T DFT=T ScalE2(SS,OS)= 0.270000 0.270000 + Using stored XC quadrature information. + This link is doing NAtomX= 4 total of 15 degrees of freedom. + Using ON3 I/O method in MakUI. + Frozen-core window: NFC= 3 NFV= 0. + Using Ix for Sx. + Use MO integrals over full window. + Using OV2 memory method for fx*t*t/D, MaxI= 11 DoOO2=F NP= 16. + R2 and R3 integrals will be kept in memory, NReq= 44914580. + FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + DD1Dir will call FoFMem 1 times, MxPair= 386 + NAB= 132 NAA= 66 NBB= 55. + Symmetry is being used. + FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F + IRaf= 0 NMat= 15 IRICut= 37 DoRegI=T DoRafI=T ISym2E= 2. + R6Disp: Adding Grimme-D3(BJ) dispersion energy 1st derivatives to the gradient. + Discarding MO integrals. + Leave Link 1112 at Thu Jan 16 16:11:14 2025, MaxMem= 24159191040 cpu: 401.0 + (Enter /usr/local/g09/l601.exe) + Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0. + + ********************************************************************** + + Population analysis using the SCF density. + + ********************************************************************** + + Orbital symmetries: + Alpha Orbitals: + Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) + Beta Orbitals: + Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) + (A) (A) (A) (A) + The electronic state is 2-A. + Alpha occ. eigenvalues -- -19.81274 -19.81272 -10.79640 -1.31440 -1.19473 + Alpha occ. eigenvalues -- -0.74475 -0.65801 -0.59253 -0.56583 -0.46345 + Alpha occ. eigenvalues -- -0.46170 -0.42843 + Alpha virt. eigenvalues -- 0.02341 0.09621 0.14654 0.15740 0.23626 + Alpha virt. eigenvalues -- 0.30432 0.42591 0.43381 0.45084 0.46591 + Alpha virt. eigenvalues -- 0.52364 0.56066 0.56407 0.59994 0.63050 + Alpha virt. eigenvalues -- 0.74884 0.75973 0.78818 0.86013 0.95493 + Alpha virt. eigenvalues -- 1.09481 1.11607 1.39899 1.42773 1.50296 + Alpha virt. eigenvalues -- 1.53193 1.58336 1.62257 1.66458 1.72238 + Alpha virt. eigenvalues -- 1.93472 1.97258 1.99249 2.06363 2.15292 + Alpha virt. eigenvalues -- 2.19105 2.23027 2.40302 2.46346 2.65271 + Alpha virt. eigenvalues -- 2.67443 2.74260 2.82765 2.90551 2.97043 + Alpha virt. eigenvalues -- 3.01002 3.03380 3.03470 3.09817 3.22658 + Alpha virt. eigenvalues -- 3.22821 3.48772 3.49409 3.55811 3.59161 + Alpha virt. eigenvalues -- 3.79645 3.82333 4.16128 4.41766 4.43562 + Alpha virt. eigenvalues -- 5.23918 5.24495 5.25825 5.27406 5.32708 + Alpha virt. eigenvalues -- 5.49339 5.71420 5.75409 5.98142 5.99860 + Alpha virt. eigenvalues -- 6.15199 6.20897 6.40933 6.40973 6.45216 + Alpha virt. eigenvalues -- 6.50076 6.51270 6.72211 6.90953 6.91994 + Alpha virt. eigenvalues -- 6.96241 7.06210 7.14158 7.18555 23.36489 + Alpha virt. eigenvalues -- 44.04108 44.15995 + Beta occ. eigenvalues -- -19.79316 -19.79314 -10.79838 -1.27078 -1.13638 + Beta occ. eigenvalues -- -0.73156 -0.58982 -0.57120 -0.55475 -0.40396 + Beta occ. eigenvalues -- -0.35555 + Beta virt. eigenvalues -- -0.12875 0.02729 0.09634 0.15028 0.16963 + Beta virt. eigenvalues -- 0.23385 0.31074 0.42941 0.43871 0.45248 + Beta virt. eigenvalues -- 0.47703 0.52943 0.56582 0.58540 0.62093 + Beta virt. eigenvalues -- 0.65619 0.75957 0.76424 0.79770 0.86054 + Beta virt. eigenvalues -- 0.96452 1.10759 1.12766 1.40391 1.43047 + Beta virt. eigenvalues -- 1.51359 1.54293 1.58402 1.65711 1.68256 + Beta virt. eigenvalues -- 1.74382 1.93630 1.97664 2.02559 2.08634 + Beta virt. eigenvalues -- 2.16564 2.20778 2.24002 2.42572 2.47253 + Beta virt. eigenvalues -- 2.65342 2.68648 2.75186 2.88485 2.91439 + Beta virt. eigenvalues -- 2.98762 3.00632 3.03238 3.04975 3.11190 + Beta virt. eigenvalues -- 3.22588 3.23884 3.50395 3.51637 3.55859 + Beta virt. eigenvalues -- 3.59491 3.80115 3.83564 4.16708 4.42937 + Beta virt. eigenvalues -- 4.44799 5.27712 5.28209 5.29261 5.30548 + Beta virt. eigenvalues -- 5.34540 5.52257 5.74038 5.78485 6.00457 + Beta virt. eigenvalues -- 6.00927 6.16578 6.22258 6.45624 6.46558 + Beta virt. eigenvalues -- 6.49829 6.53790 6.55942 6.77326 6.91836 + Beta virt. eigenvalues -- 6.93611 6.99518 7.08628 7.18652 7.20821 + Beta virt. eigenvalues -- 23.36359 44.05610 44.17484 + Condensed to atoms (all electrons): + 1 2 3 4 + 1 O 7.894869 0.474929 -0.060613 -0.069063 + 2 C 0.474929 4.271738 0.474939 0.413317 + 3 O -0.060613 0.474939 7.894868 -0.069065 + 4 H -0.069063 0.413317 -0.069065 0.609637 + Atomic-Atomic Spin Densities. + 1 2 3 4 + 1 O 0.627020 -0.020654 -0.055687 0.017473 + 2 C -0.020654 -0.087680 -0.020655 0.007966 + 3 O -0.055687 -0.020655 0.626993 0.017473 + 4 H 0.017473 0.007966 0.017473 -0.058167 + Mulliken charges and spin densities: + 1 2 + 1 O -0.240122 0.568153 + 2 C 0.365077 -0.121023 + 3 O -0.240129 0.568125 + 4 H 0.115174 -0.015255 + Sum of Mulliken charges = 0.00000 1.00000 + Mulliken charges and spin densities with hydrogens summed into heavy atoms: + 1 2 + 1 O -0.240122 0.568153 + 2 C 0.480251 -0.136278 + 3 O -0.240129 0.568125 + APT charges: + 1 + 1 O 4.130954 + 2 C -24.231973 + 3 O 4.132278 + 4 H 15.968742 + Sum of APT charges = 0.00000 + APT charges with hydrogens summed into heavy atoms: + 1 + 1 O 4.130954 + 2 C -8.263232 + 3 O 4.132278 + Electronic spatial extent (au): = 115.5139 + Charge= 0.0000 electrons + Dipole moment (field-independent basis, Debye): + X= 0.0000 Y= 2.6669 Z= 0.0000 Tot= 2.6669 + Quadrupole moment (field-independent basis, Debye-Ang): + XX= -19.1026 YY= -14.6845 ZZ= -16.0552 + XY= 0.0000 XZ= 0.0000 YZ= 0.0000 + Traceless Quadrupole moment (field-independent basis, Debye-Ang): + XX= -2.4885 YY= 1.9296 ZZ= 0.5589 + XY= 0.0000 XZ= 0.0000 YZ= 0.0000 + Octapole moment (field-independent basis, Debye-Ang**2): + XXX= -0.0001 YYY= 2.2916 ZZZ= 0.0000 XYY= 0.0000 + XXY= 0.9248 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0204 + YYZ= 0.0000 XYZ= 0.0000 + Hexadecapole moment (field-independent basis, Debye-Ang**3): + XXXX= -85.0286 YYYY= -28.8949 ZZZZ= -13.1914 XXXY= 0.0000 + XXXZ= 0.0000 YYYX= 0.0001 YYYZ= 0.0000 ZZZX= 0.0000 + ZZZY= 0.0000 XXYY= -19.5433 XXZZ= -16.6003 YYZZ= -7.7889 + XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 + N-N= 6.374456577771D+01 E-N=-5.726976471210D+02 KE= 1.882753720078D+02 + Exact polarizability:-397.877 -0.002 18.271 0.000 -0.092-869.874 + Approx polarizability: 49.030 0.000 19.220 0.000 0.000 13.201 + Isotropic Fermi Contact Couplings + Atom a.u. MegaHertz Gauss 10(-4) cm-1 + 1 O(17) 0.04419 -26.79047 -9.55951 -8.93634 + 2 C(13) -0.03390 -38.11147 -13.59912 -12.71262 + 3 O(17) 0.04418 -26.78046 -9.55593 -8.93300 + 4 H(1) -0.00226 -10.08882 -3.59994 -3.36527 + -------------------------------------------------------- + Center ---- Spin Dipole Couplings ---- + 3XX-RR 3YY-RR 3ZZ-RR + -------------------------------------------------------- + 1 Atom 0.948373 0.158841 -1.107213 + 2 Atom 0.062377 0.024976 -0.087353 + 3 Atom 0.948412 0.158511 -1.106923 + 4 Atom 0.003472 0.013309 -0.016781 + -------------------------------------------------------- + XY XZ YZ + -------------------------------------------------------- + 1 Atom -1.665544 0.002541 -0.002302 + 2 Atom 0.000007 0.000000 0.000053 + 3 Atom 1.665029 -0.002541 -0.002302 + 4 Atom 0.000003 0.000000 0.000017 + -------------------------------------------------------- + + + --------------------------------------------------------------------------------- + Anisotropic Spin Dipole Couplings in Principal Axis System + --------------------------------------------------------------------------------- + + Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes + + Baa -1.1581 83.798 29.901 27.952 0.6202 0.7844 0.0045 + 1 O(17) Bbb -1.1072 80.117 28.588 26.724 -0.0036 -0.0029 1.0000 + Bcc 2.2653 -163.915 -58.489 -54.676 0.7844 -0.6202 0.0010 + + Baa -0.0874 -11.722 -4.183 -3.910 0.0000 -0.0005 1.0000 + 2 C(13) Bbb 0.0250 3.352 1.196 1.118 -0.0002 1.0000 0.0005 + Bcc 0.0624 8.370 2.987 2.792 1.0000 0.0002 0.0000 + + Baa -1.1578 83.775 29.893 27.944 -0.6202 0.7845 0.0045 + 3 O(17) Bbb -1.1069 80.096 28.580 26.717 0.0036 -0.0029 1.0000 + Bcc 2.2647 -163.872 -58.474 -54.662 0.7845 0.6202 -0.0010 + + Baa -0.0168 -8.953 -3.195 -2.987 0.0000 -0.0006 1.0000 + 4 H(1) Bbb 0.0035 1.852 0.661 0.618 1.0000 -0.0003 0.0000 + Bcc 0.0133 7.101 2.534 2.369 0.0003 1.0000 0.0006 + + + --------------------------------------------------------------------------------- + + No NMR shielding tensors so no spin-rotation constants. + Leave Link 601 at Thu Jan 16 16:11:14 2025, MaxMem= 24159191040 cpu: 2.9 + (Enter /usr/local/g09/l701.exe) + Compute integral second derivatives. + ... and contract with generalized density number 2. + Use density number 2. + R6Disp: Adding Grimme-D3(BJ) dispersion energy 2nd derivatives to the Hessian. + Entering OneElI... + Calculate overlap and kinetic energy integrals + NBasis = 114 MinDer = 2 MaxDer = 2 + Requested accuracy = 0.1000D-14 + PrsmSu: NPrtUS= 16 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0. + Prism: IPart= 0 DynPar=F LinDyn=F Incr= 1. + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + PRISM was handed 1509926589 working-precision words and 702 shell-pairs + IPart= 8 NShTot= 40 NBatch= 23 AvBLen= 1.7 + IPart= 12 NShTot= 33 NBatch= 18 AvBLen= 1.8 + IPart= 10 NShTot= 35 NBatch= 19 AvBLen= 1.8 + IPart= 2 NShTot= 56 NBatch= 33 AvBLen= 1.7 + IPart= 7 NShTot= 40 NBatch= 23 AvBLen= 1.7 + IPart= 9 NShTot= 36 NBatch= 19 AvBLen= 1.9 + IPart= 3 NShTot= 51 NBatch= 28 AvBLen= 1.8 + IPart= 6 NShTot= 43 NBatch= 25 AvBLen= 1.7 + IPart= 5 NShTot= 46 NBatch= 27 AvBLen= 1.7 + IPart= 15 NShTot= 32 NBatch= 18 AvBLen= 1.8 + IPart= 4 NShTot= 51 NBatch= 28 AvBLen= 1.8 + IPart= 11 NShTot= 35 NBatch= 19 AvBLen= 1.8 + IPart= 14 NShTot= 32 NBatch= 18 AvBLen= 1.8 + IPart= 13 NShTot= 32 NBatch= 18 AvBLen= 1.8 + IPart= 1 NShTot= 67 NBatch= 38 AvBLen= 1.8 + IPart= 0 NShTot= 73 NBatch= 41 AvBLen= 1.8 + PrSmSu: NxtVal= 17. + Entering OneElI... + Calculate potential energy integrals + NBasis = 114 MinDer = 2 MaxDer = 2 + Requested accuracy = 0.1000D-14 + PrsmSu: NPrtUS= 16 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0. + Prism: IPart= 0 DynPar=F LinDyn=F Incr= 1. + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + PRISM was handed 1509928287 working-precision words and 697 shell-pairs + IPart= 10 NShTot= 140 NBatch= 35 AvBLen= 4.0 + IPart= 1 NShTot= 268 NBatch= 67 AvBLen= 4.0 + IPart= 12 NShTot= 132 NBatch= 33 AvBLen= 4.0 + IPart= 11 NShTot= 136 NBatch= 34 AvBLen= 4.0 + IPart= 8 NShTot= 160 NBatch= 40 AvBLen= 4.0 + IPart= 2 NShTot= 228 NBatch= 57 AvBLen= 4.0 + IPart= 3 NShTot= 208 NBatch= 52 AvBLen= 4.0 + IPart= 6 NShTot= 164 NBatch= 41 AvBLen= 4.0 + IPart= 7 NShTot= 160 NBatch= 40 AvBLen= 4.0 + IPart= 13 NShTot= 128 NBatch= 32 AvBLen= 4.0 + IPart= 15 NShTot= 128 NBatch= 32 AvBLen= 4.0 + IPart= 9 NShTot= 144 NBatch= 36 AvBLen= 4.0 + IPart= 5 NShTot= 176 NBatch= 44 AvBLen= 4.0 + IPart= 4 NShTot= 200 NBatch= 50 AvBLen= 4.0 + IPart= 0 NShTot= 288 NBatch= 72 AvBLen= 4.0 + IPart= 14 NShTot= 128 NBatch= 32 AvBLen= 4.0 + PrSmSu: NxtVal= 17. + 1 Symmetry operations used in ECPInt. + ECPInt: NShTT= 703 NPrTT= 2280 LenC2= 701 LenP2D= 2013. + LDataN: DoStor=F MaxTD1= 8 Len= 415 + LDataN: DoStor=T MaxTD1= 8 Len= 415 + ECPSu: NPrtUS= 16 ThrOK=T + Polarizability after L701: + 1 2 3 + 1 -0.397877D+03 + 2 -0.153792D-02 0.182714D+02 + 3 -0.215726D-03 -0.917408D-01 -0.869874D+03 + Dipole Derivatives after L701: + 1 2 3 4 5 + 1 -0.290976D+02 -0.161359D+02 0.165761D-04 0.639332D+02 -0.968054D-03 + 2 -0.233596D-01 -0.432849D+00 0.431548D-02 0.160878D-03 0.968452D+00 + 3 -0.200609D-01 0.120397D-02 0.419233D+02 0.290256D-04 -0.682708D-03 + 6 7 8 9 10 + 1 -0.335667D-04 -0.290944D+02 0.161369D+02 0.381996D-05 -0.574109D+01 + 2 -0.141914D-01 0.232134D-01 -0.432832D+00 0.431556D-02 -0.147446D-04 + 3 -0.137598D+03 0.200350D-01 0.121752D-02 0.419241D+02 -0.311393D-05 + 11 12 + 1 -0.278174D-04 0.131706D-04 + 2 -0.102770D+00 0.556034D-02 + 3 -0.173879D-02 0.537501D+02 + Hessian after L701: + 1 2 3 4 5 + 1 0.153107D+01 + 2 -0.470280D+01 0.782885D+01 + 3 -0.104609D-02 -0.825705D-04 0.136150D+02 + 4 -0.563444D+01 0.341529D+01 0.119444D-03 0.151418D+02 + 5 0.603467D+01 -0.656236D+01 -0.616945D-04 0.118343D-03 0.136220D+02 + 6 0.321445D-02 -0.191143D-03 -0.179121D+02 -0.452793D-05 0.286971D-03 + 7 0.375544D+01 0.121532D+01 0.924995D-03 -0.563408D+01 -0.603488D+01 + 8 -0.121538D+01 -0.147087D+01 0.209902D-03 -0.341552D+01 -0.656270D+01 + 9 -0.926238D-03 0.209261D-03 0.162645D+01 -0.116686D-03 -0.616896D-04 + 10 0.347928D+00 0.721846D-01 0.165415D-05 -0.387329D+01 0.936489D-04 + 11 -0.116491D+00 0.204371D+00 -0.656370D-04 0.103536D-03 -0.496898D+00 + 12 -0.124212D-02 0.644525D-04 0.267072D+01 0.176953D-05 -0.163587D-03 + 6 7 8 9 10 + 6 0.471057D+02 + 7 -0.321040D-02 0.153079D+01 + 8 -0.193256D-03 0.470306D+01 0.782915D+01 + 9 -0.179129D+02 0.104487D-02 -0.819295D-04 0.136157D+02 + 10 0.000000D+00 0.347850D+00 -0.721639D-01 -0.194756D-05 0.317751D+01 + 11 0.974268D-04 0.116501D+00 0.204420D+00 -0.656416D-04 -0.114385D-03 + 12 -0.112806D+02 0.124054D-02 0.652830D-04 0.267077D+01 0.000000D+00 + 11 12 + 11 0.881074D-01 + 12 0.338519D-04 0.593915D+01 + Leave Link 701 at Thu Jan 16 16:11:14 2025, MaxMem= 24159191040 cpu: 5.0 + (Enter /usr/local/g09/l702.exe) + L702 exits ... SP integral derivatives will be done elsewhere. + Leave Link 702 at Thu Jan 16 16:11:14 2025, MaxMem= 24159191040 cpu: 0.2 + (Enter /usr/local/g09/l703.exe) + Compute integral second derivatives, UseDBF=F ICtDFT= 0. + Integral derivatives from FoFJK, PRISM(SPDF). + ICntrl= 10100127. + Calling FoFJK, ICntrl= 10100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 1 NMat=1 NMatS=1 NMatT=0. + FoFJK: IHMeth= 1 ICntrl=10100127 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F + IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. + FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 800 + NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T + wScrn= 0.000000 ICntrl=10100127 IOpCl= 1 I1Cent= 0 NGrid= 0 + NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 + Symmetry not used in FoFCou. + FoFCou: KetSym=F NOpSet= 1 NOpAb=1 NOp= 1. + FoFCou: CnvScl= 1.00D+00 Thresh= 1.00D-12 IAcrcy= 10. + PrismS was handed 24159107951 working-precision words and 698 shell-pairs + FoFCou: LinMIO=F DoNuc=F BraDBF=F KetDBF=F HaveP=T PDBF=F HaveZ=T HaveW=F + NIJTC = 10 NIJTAt= 0 NIJTCD= 0 NIJTT = 10 + IJTBeg= 1 IJTEnd= 10 KLTBeg= 1 KLTEnd= 10 + IPTBeg= 1 IPTEnd= 10 IPTBCv= 1 IPTECv= 10 + IZTBeg= 1 IZTEnd= 10 IZTBCv= 1 IZTECv= 10 + IWTBeg= 11 IWTEnd= 10 IWTBCv= 11 IWTECv= 10 + INTBeg= 1 INTEnd= 0 IFTBCv= 1 IFTECv= 10 + NCel replicated for PrismC: 1 + CoulSu: IncDef= 1024 NBBP= 243951 NTPThr= 100 NPartT= 16 Incr= 152 LDynOK=F. + CoulSu: NPrtUS= 16 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 LWGrdD= 0 DoCopy=F. + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC: IPart= 0 DynPar=T LinDyn=F Incr= 152 UseFst=F UseS4=T IGathr=2. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + Enter PrismC: JobTyp=22 DoJE=F Cont=F. + PrismC was handed 1509928462 working-precision words and 698 shell-pairs + IPart= 5 NShTot= 25783 NShNF= 25783 NShFF= 0 NBatch= 860 AvBLen= 30.0 + IPart= 12 NShTot= 23529 NShNF= 23529 NShFF= 0 NBatch= 840 AvBLen= 28.0 + IPart= 7 NShTot= 23601 NShNF= 23601 NShFF= 0 NBatch= 928 AvBLen= 25.4 + IPart= 1 NShTot= 25527 NShNF= 25527 NShFF= 0 NBatch= 922 AvBLen= 27.7 + IPart= 9 NShTot= 11705 NShNF= 11705 NShFF= 0 NBatch= 444 AvBLen= 26.4 + IPart= 6 NShTot= 12251 NShNF= 12251 NShFF= 0 NBatch= 490 AvBLen= 25.0 + IPart= 14 NShTot= 13797 NShNF= 13797 NShFF= 0 NBatch= 619 AvBLen= 22.3 + IPart= 11 NShTot= 14554 NShNF= 14554 NShFF= 0 NBatch= 594 AvBLen= 24.5 + IPart= 13 NShTot= 12554 NShNF= 12554 NShFF= 0 NBatch= 543 AvBLen= 23.1 + IPart= 3 NShTot= 12638 NShNF= 12638 NShFF= 0 NBatch= 528 AvBLen= 23.9 + IPart= 15 NShTot= 10568 NShNF= 10568 NShFF= 0 NBatch= 345 AvBLen= 30.6 + IPart= 10 NShTot= 15287 NShNF= 15287 NShFF= 0 NBatch= 642 AvBLen= 23.8 + IPart= 2 NShTot= 12337 NShNF= 12337 NShFF= 0 NBatch= 548 AvBLen= 22.5 + IPart= 8 NShTot= 12954 NShNF= 12954 NShFF= 0 NBatch= 489 AvBLen= 26.5 + IPart= 4 NShTot= 12759 NShNF= 12759 NShFF= 0 NBatch= 573 AvBLen= 22.3 + IPart= 0 NShTot= 273 NShNF= 273 NShFF= 0 NBatch= 24 AvBLen= 11.4 + CoulSu: NxtVal= 259161. + ReadGW: IGet=0 IStart= 1 Next= 1 LGW= 0. + Remaining memory in FofDFT 23039.97 Mw + CkSvGd: ISavGI= -1 IRadAn= 5 IRASav= 5 ISavGd= -1. + CalDSu: NPrtUS= 16 ThrOK=T IAlg=1 NPAlg=2 DoDPD=T LenP= 6555 LenD1P= 0. + IPart= 0 IRanGd= 0 ScrnBf=T ScrnGd=T RCrit=4.00D+00 DoMicB=T. + IPart= 5 9261 of 10036 points in 10 batches and 62 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 11 6568 of 6890 points in 7 batches and 72 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 7 7207 of 7556 points in 7 batches and 31 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 0 3202 of 3322 points in 3 batches and 22 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 1 6530 of 6666 points in 5 batches and 32 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 3 3429 of 3568 points in 4 batches and 24 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 4 4650 of 4720 points in 4 batches and 14 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 8 3931 of 4144 points in 4 batches and 26 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 15 4772 of 4910 points in 4 batches and 34 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 9 4543 of 4748 points in 5 batches and 43 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 10 5613 of 6004 points in 6 batches and 38 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 14 4020 of 4130 points in 4 batches and 15 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 2 4323 of 4488 points in 4 batches and 36 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 13 4059 of 4144 points in 4 batches and 15 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 12 6988 of 7164 points in 6 batches and 40 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + IPart= 6 6286 of 6392 points in 5 batches and 37 microbatches, Max-NSigAt= 4 Max-NSgAt2= 4 + Polarizability after L703: + 1 2 3 + 1 -0.397877D+03 + 2 -0.153792D-02 0.182714D+02 + 3 -0.215726D-03 -0.917408D-01 -0.869874D+03 + Dipole Derivatives after L703: + 1 2 3 4 5 + 1 -0.290976D+02 -0.161359D+02 0.165761D-04 0.639332D+02 -0.968054D-03 + 2 -0.233596D-01 -0.432849D+00 0.431548D-02 0.160878D-03 0.968452D+00 + 3 -0.200609D-01 0.120397D-02 0.419233D+02 0.290256D-04 -0.682708D-03 + 6 7 8 9 10 + 1 -0.335667D-04 -0.290944D+02 0.161369D+02 0.381996D-05 -0.574109D+01 + 2 -0.141914D-01 0.232134D-01 -0.432832D+00 0.431556D-02 -0.147446D-04 + 3 -0.137598D+03 0.200350D-01 0.121752D-02 0.419241D+02 -0.311393D-05 + 11 12 + 1 -0.278174D-04 0.131706D-04 + 2 -0.102770D+00 0.556034D-02 + 3 -0.173879D-02 0.537501D+02 + Hessian after L703: + 1 2 3 4 5 + 1 0.237656D+01 + 2 0.131275D+01 0.830789D+00 + 3 -0.971050D-03 0.536691D-04 0.203280D+01 + 4 -0.455899D+01 -0.254766D+01 0.143836D-04 0.100510D+02 + 5 -0.257667D+00 -0.271947D+00 -0.273617D-04 -0.139141D-03 0.852583D+00 + 6 0.316005D-02 -0.184898D-03 -0.664989D+01 -0.451215D-05 0.102316D-03 + 7 0.178716D+01 0.104657D+01 0.959859D-03 -0.455851D+01 0.257801D+00 + 8 -0.104676D+01 -0.543534D+00 0.577415D-04 0.254781D+01 -0.272039D+00 + 9 -0.961101D-03 0.570996D-04 0.203285D+01 -0.116434D-04 -0.273618D-04 + 10 0.395267D+00 0.188340D+00 -0.319358D-05 -0.933533D+00 0.469903D-05 + 11 -0.833015D-02 -0.153077D-01 -0.840489D-04 -0.110108D-04 -0.308597D+00 + 12 -0.122790D-02 0.741292D-04 0.258423D+01 0.177194D-05 -0.475926D-04 + 6 7 8 9 10 + 6 0.217537D+02 + 7 -0.315602D-02 0.237613D+01 + 8 -0.187016D-03 -0.131270D+01 0.830885D+00 + 9 -0.665003D+01 0.969845D-03 0.543128D-04 0.203289D+01 + 10 0.000000D+00 0.395223D+00 -0.188349D+00 0.289857D-05 0.143042D+00 + 11 0.269598D-03 0.833681D-02 -0.153125D-01 -0.840506D-04 0.435094D-05 + 12 -0.845376D+01 0.122631D-02 0.749618D-04 0.258429D+01 0.000000D+00 + 11 12 + 11 0.339217D+00 + 12 -0.101498D-03 0.328524D+01 + Leave Link 703 at Thu Jan 16 16:11:26 2025, MaxMem= 24159191040 cpu: 185.1 + (Enter /usr/local/g09/l716.exe) + FrcOut: + IF = 40 IFX = 52 IFXYZ = 64 + IFFX = 76 IFFFX = 154 IFLen = 12 + IFFLen= 78 IFFFLn= 0 IEDerv= 154 + LEDerv= 629 IFroze= 941 ICStrt= 20794 + Dipole =-1.25355748D-04 9.39254319D-01-1.55941536D-04 + DipoleDeriv =-2.90976382D+01-2.33595685D-02-2.00608673D-02 + -1.61358857D+01-4.32849206D-01 1.20397453D-03 + 1.65761314D-05 4.31547515D-03 4.19233486D+01 + 6.39331741D+01 1.60878141D-04 2.90255691D-05 + -9.68054169D-04 9.68451794D-01-6.82707874D-04 + -3.35666709D-05-1.41913740D-02-1.37597546D+02 + -2.90944489D+01 2.32134350D-02 2.00349557D-02 + 1.61368815D+01-4.32832193D-01 1.21752040D-03 + 3.81996413D-06 4.31556075D-03 4.19241148D+01 + -5.74108702D+00-1.47446156D-05-3.11392708D-06 + -2.78174122D-05-1.02770395D-01-1.73878706D-03 + 1.31705708D-05 5.56033812D-03 5.37500826D+01 + Polarizability=-3.97877296D+02-1.53791570D-03 1.82713804D+01 + -2.15726447D-04-9.17408132D-02-8.69874295D+02 + VibFq2-Diag1: N= 12 IV= 5 MDV= 24159169498 NE2= 2013264124 + Full mass-weighted force constant matrix: + Low frequencies --- -4.3823 -2.1200 -1.6692 -0.0012 -0.0012 -0.0007 + Low frequencies --- 651.3862 1282.0556 1478.8421 + OrtVCM: Ph=1 IPass= 1 DotMx1= 0.00D+00 + OrtVCM: IS= 1 I= 1 IndO= 1 Dot= 1.00D+00 DotN= 1.00D+00 ElMax1= 5.96D-01 ElMax1N= 5.96D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 2 IPass= 1 DotMx2= 0.00D+00 + OrtVCM: IS= 1 I= 2 IndO= 2 Dot= 1.00D+00 DotN= 1.00D+00 ElMax1= 5.96D-01 ElMax1N= 5.96D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 3 IPass= 1 DotMx2= 0.00D+00 + OrtVCM: IS= 1 I= 3 IndO= 3 Dot= 1.00D+00 DotN= 1.00D+00 ElMax1= 5.96D-01 ElMax1N= 5.96D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 4 IPass= 1 DotMx2= 5.35D-17 + OrtVCM: IS= 1 I= 4 IndO= 4 Dot= 1.00D+00 DotN= 1.00D+00 ElMax1= 6.27D-01 ElMax1N= 6.27D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 5 IPass= 1 DotMx2= 2.01D-17 + OrtVCM: IS= 1 I= 5 IndO= 5 Dot= 1.00D+00 DotN= 1.00D+00 ElMax1= 7.07D-01 ElMax1N= 7.07D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 6 IPass= 1 DotMx2= 2.61D-17 + OrtVCM: IS= 1 I= 6 IndO= 6 Dot= 1.00D+00 DotN= 1.00D+00 ElMax1= 6.47D-01 ElMax1N= 6.47D-01 + OrtVCM: Ph=1 IPass= 1 DotMx1= 7.07D-01 + OrtVCM: Ph=1 IPass= 2 DotMx1= 1.91D-16 + OrtVCM: IS= 1 I= 1 IndO= 7 Dot= 6.25D-01 DotN= 6.25D-01 ElMax1= 6.25D-01 ElMax1N= 6.25D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 2 IPass= 1 DotMx2= 1.14D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 2 IPass= 2 DotMx2= 1.70D-17 + OrtVCM: IS= 1 I= 2 IndO= 8 Dot= 2.12D-01 DotN= 2.12D-01 ElMax1= 3.08D-01 ElMax1N= 3.08D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 3 IPass= 1 DotMx2= 3.39D-07 + OrtVCM: Ph=2 NNew= 0 IAdd= 3 IPass= 2 DotMx2= 3.39D-23 + OrtVCM: IS= 1 I= 3 IndO= 9 Dot= 2.39D-02 DotN= 2.39D-02 ElMax1= 1.21D-01 ElMax1N= 1.21D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 4 IPass= 1 DotMx2= 3.45D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 4 IPass= 2 DotMx2= 7.37D-17 + OrtVCM: IS= 1 I= 4 IndO= 10 Dot= 4.79D-01 DotN= 4.79D-01 ElMax1= 4.79D-01 ElMax1N= 4.79D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 5 IPass= 1 DotMx2= 6.68D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 5 IPass= 2 DotMx2= 1.10D-16 + OrtVCM: IS= 1 I= 5 IndO= 11 Dot= 2.20D-01 DotN= 2.20D-01 ElMax1= 3.11D-01 ElMax1N= 3.11D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 6 IPass= 1 DotMx2= 5.83D-01 + OrtVCM: Ph=2 NNew= 0 IAdd= 6 IPass= 2 DotMx2= 3.61D-17 + OrtVCM: IS= 1 I= 6 IndO= 0 Dot= 5.65D-35 DotN= 5.65D-35 ElMax1= 5.34D-18 ElMax1N= 5.34D-18 + SchOr2: IPass= 1 Test2A= 1.00D-01 IOff= 0 NDo= 6 NNew= 5 + OrtVCM: Ph=1 IPass= 1 DotMx1= 5.96D-01 + OrtVCM: Ph=1 IPass= 2 DotMx1= 1.83D-16 + OrtVCM: IS= 1 I= 1 IndO= 12 Dot= 1.50D-02 DotN= 1.50D-02 ElMax1= 1.03D-01 ElMax1N= 1.03D-01 + SchOr2: IPass= 1 Test2A= 1.00D-01 IOff= 6 NDo= 1 NNew= 1 + VibFq2-Diag2: N= 6 IV= 5 MDV= 24159169498 NE2= 4026528249 + Dipole derivatives wrt mode 1: -4.98973D-04 4.75657D+00 3.68153D-04 + Vibrational polarizability contributions from mode 1 0.0000000 1.4349738 0.0000000 + Vibrational hyperpolarizability contributions from mode 1 0.0000000 0.0000000 0.0000000 + Dipole derivatives wrt mode 2: -9.23819D+00 -3.71200D-04 7.21956D-08 + Vibrational polarizability contributions from mode 2 1.3973125 0.0000000 0.0000000 + Vibrational hyperpolarizability contributions from mode 2 0.0000000 0.0000000 0.0000000 + Dipole derivatives wrt mode 3: 5.50405D-04 -7.39597D+00 1.72713D-03 + Vibrational polarizability contributions from mode 3 0.0000000 0.6731001 0.0000000 + Vibrational hyperpolarizability contributions from mode 3 0.0000000 0.0000000 0.0000000 + Dipole derivatives wrt mode 4: 2.04352D-03 -5.65597D+00 1.89101D-03 + Vibrational polarizability contributions from mode 4 0.0000000 0.0895992 0.0000000 + Vibrational hyperpolarizability contributions from mode 4 0.0000000 0.0000000 0.0000000 + Dipole derivatives wrt mode 5: 7.06253D+02 1.57449D-03 -9.88509D-05 + Vibrational polarizability contributions from mode 5 402.0271450 0.0000000 0.0000000 + Vibrational hyperpolarizability contributions from mode 5 0.0000000 0.0000000 0.0000000 + Dipole derivatives wrt mode 6: 6.62785D-04 2.20375D-01 2.13236D+03 + Vibrational polarizability contributions from mode 6 0.0000000 0.0000093 869.3331729 + Vibrational hyperpolarizability contributions from mode 6 0.0000000 0.0000000 0.0000000 + Diagonal vibrational polarizability: + 403.4244576 2.1976824 869.3331730 + NorSel: MapVib= 1 2 3 4 5 6 + Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering + activities (A**4/AMU), depolarization ratios for plane and unpolarized + incident light, reduced masses (AMU), force constants (mDyne/A), + and normal coordinates: + 1 2 3 + A A A + Frequencies -- 651.3862 1282.0556 1478.8421 + Red. masses -- 12.2034 1.1753 8.6591 + Frc consts -- 3.0508 1.1382 11.1575 + IR Inten -- 22.6250 85.3442 54.7004 + Atom AN X Y Z X Y Z X Y Z + 1 8 0.51 -0.19 0.00 0.04 0.06 0.00 0.29 0.23 0.00 + 2 6 0.00 0.46 0.00 -0.03 0.00 0.00 0.00 -0.57 0.00 + 3 8 -0.51 -0.19 0.00 0.04 -0.06 0.00 -0.29 0.23 0.00 + 4 1 0.00 0.44 0.00 -0.99 0.00 0.00 0.00 -0.64 0.00 + 4 5 6 + A A A + Frequencies -- 3099.7162 5778.2888 11864.0891 + Red. masses -- 1.0938 7.0451 1.5660 + Frc consts -- 6.1917 138.5910 129.8726 + IR Inten -- 31.9900 498793.4795 4546968.6148 + Atom AN X Y Z X Y Z X Y Z + 1 8 0.00 0.00 0.00 -0.21 -0.12 0.00 0.00 0.00 0.05 + 2 6 0.00 -0.09 0.00 0.62 0.00 0.00 0.00 0.00 -0.21 + 3 8 0.00 0.00 0.00 -0.21 0.12 0.00 0.00 0.00 0.05 + 4 1 0.00 1.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.98 + + ------------------- + - Thermochemistry - + ------------------- + Temperature 298.150 Kelvin. Pressure 1.00000 Atm. + Atom 1 has atomic number 8 and mass 15.99491 + Atom 2 has atomic number 6 and mass 12.00000 + Atom 3 has atomic number 8 and mass 15.99491 + Atom 4 has atomic number 1 and mass 1.00783 + Molecular mass: 44.99765 amu. + Principal axes and moments of inertia in atomic units: + 1 2 3 + Eigenvalues -- 24.04934 124.35327 148.40261 + X 1.00000 0.00000 0.00000 + Y 0.00000 1.00000 0.00000 + Z 0.00000 0.00000 1.00000 + This molecule is an asymmetric top. + Rotational symmetry number 1. + Rotational temperatures (Kelvin) 3.60151 0.69651 0.58364 + Rotational constants (GHZ): 75.04328 14.51302 12.16111 + Zero-point vibrational energy 144475.3 (Joules/Mol) + 34.53042 (Kcal/Mol) + Vibrational temperatures: 937.20 1844.59 2127.72 4459.79 8313.66 + (Kelvin) 17069.76 + + Zero-point correction= 0.055028 (Hartree/Particle) + Thermal correction to Energy= 0.058011 + Thermal correction to Enthalpy= 0.058956 + Thermal correction to Gibbs Free Energy= 0.030519 + Sum of electronic and zero-point Energies= -188.981898 + Sum of electronic and thermal Energies= -188.978914 + Sum of electronic and thermal Enthalpies= -188.977970 + Sum of electronic and thermal Free Energies= -189.006406 + + E (Thermal) CV S + KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin + Total 36.403 7.125 59.850 + Electronic 0.000 0.000 1.377 + Translational 0.889 2.981 37.338 + Rotational 0.889 2.981 20.723 + Vibrational 34.625 1.163 0.412 + Q Log10(Q) Ln(Q) + Total Bot 0.916571D-14 -14.037834 -32.323307 + Total V=0 0.187546D+12 11.273107 25.957289 + Vib (Bot) 0.512211D-25 -25.290551 -58.233646 + Vib (V=0) 0.104807D+01 0.020390 0.046950 + Electronic 0.200000D+01 0.301030 0.693147 + Translational 0.118642D+08 7.074240 16.289040 + Rotational 0.754132D+04 3.877447 8.928152 + + OCHO + IR Spectrum + + 1 5 3 1 1 + 8 7 1 4 2 6 + 6 7 0 7 8 5 + 4 8 0 9 2 1 + + X X X X X X + X X + X + X + X + X + X + X + X + X + X + X + X + X + X + X + X + X + X + X + + Forces in standard orientation: + ------------------------------------------------------------------- + Center Atomic Forces (Hartrees/Bohr) + Number Number X Y Z + ------------------------------------------------------------------- + 1 8 0.000007527 0.000004443 -0.000007231 + 2 6 -0.000019385 -0.000001808 0.000023691 + 3 8 0.000007916 -0.000001781 -0.000007231 + 4 1 0.000003942 -0.000000853 -0.000009229 + ------------------------------------------------------------------- + ***** Axes restored to original set ***** + Rotating derivatives, DoTrsp=F IDiff=-2 LEDeriv= 628 LFDPrp= 0 LDFDPr= 0. + ------------------------------------------------------------------- + Center Atomic Forces (Hartrees/Bohr) + Number Number X Y Z + ------------------------------------------------------------------- + 1 8 0.000008547 -0.000002537 -0.000007014 + 2 6 -0.000019864 -0.000002826 0.000023190 + 3 8 0.000007453 0.000003602 -0.000007042 + 4 1 0.000003864 0.000001761 -0.000009133 + ------------------------------------------------------------------- + Cartesian Forces: Max 0.000023190 RMS 0.000010363 + Z-matrix is all fixed cartesians, so copy forces. + Force constants in Cartesian coordinates: + 1 2 3 4 5 + 1 0.289283D+01 + 2 -0.810528D+00 0.313993D+00 + 3 0.211729D-01 -0.209876D-01 0.203332D+01 + 4 -0.496501D+01 0.140535D+01 0.431592D-01 0.954468D+01 + 5 -0.883866D+00 0.132887D+00 -0.229875D-01 0.211280D+01 0.136697D+01 + 6 0.462943D-01 0.366358D-01 -0.664870D+01 -0.313289D+00 0.551322D-01 + 7 0.165705D+01 -0.510912D+00 -0.866845D-02 -0.367611D+01 -0.108541D+01 + 8 0.158171D+01 -0.413171D+00 0.408710D-01 -0.337465D+01 -0.115632D+01 + 9 -0.106410D-01 -0.132656D-01 0.203260D+01 0.764440D-01 -0.280987D-01 + 10 0.415127D+00 -0.839095D-01 -0.556637D-01 -0.903562D+00 -0.143531D+00 + 11 0.112685D+00 -0.337091D-01 0.310422D-02 -0.143508D+00 -0.343538D+00 + 12 -0.568262D-01 -0.238253D-02 0.258278D+01 0.193686D+00 -0.404597D-02 + 6 7 8 9 10 + 6 0.217456D+02 + 7 0.732352D-01 0.168670D+01 + 8 -0.874140D-01 0.152043D+01 0.152049D+01 + 9 -0.664814D+01 -0.800264D-02 0.392067D-01 0.203271D+01 + 10 0.193760D+00 0.332361D+00 0.272509D+00 -0.578004D-01 0.156074D+00 + 11 -0.435396D-02 0.758907D-01 0.490013D-01 0.215758D-02 -0.450678D-01 + 12 -0.844879D+01 -0.565641D-01 0.733633D-02 0.258283D+01 -0.802956D-01 + 11 12 + 11 0.328246D+00 + 12 -0.907839D-03 0.328318D+01 + Final forces over variables, Energy=-1.89036925D+02: + 8.54713174D-06-1.98644063D-05 7.45310634D-06 3.86416828D-06 + -2.53748123D-06-2.82564685D-06 3.60212165D-06 1.76100641D-06 + -7.01406641D-06 2.31895911D-05-7.04228239D-06-9.13324229D-06 + Leave Link 716 at Thu Jan 16 16:11:26 2025, MaxMem= 24159191040 cpu: 0.2 + (Enter /usr/local/g09/l103.exe) + + GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad + Berny optimization. + Search for a local minimum. + Step number 1 out of a maximum of 2 + All quantities printed in internal units (Hartrees-Bohrs-Radians) + Second derivative matrix not updated -- analytic derivatives used. + The second derivative matrix: + X1 Y1 Z1 X2 Y2 + X1 2.89283 + Y1 -0.81053 0.31399 + Z1 0.02117 -0.02099 2.03332 + X2 -4.96501 1.40535 0.04316 9.54468 + Y2 -0.88387 0.13289 -0.02299 2.11280 1.36697 + Z2 0.04629 0.03664 -6.64870 -0.31329 0.05513 + X3 1.65705 -0.51091 -0.00867 -3.67611 -1.08541 + Y3 1.58171 -0.41317 0.04087 -3.37465 -1.15632 + Z3 -0.01064 -0.01327 2.03260 0.07644 -0.02810 + X4 0.41513 -0.08391 -0.05566 -0.90356 -0.14353 + Y4 0.11268 -0.03371 0.00310 -0.14351 -0.34354 + Z4 -0.05683 -0.00238 2.58278 0.19369 -0.00405 + Z2 X3 Y3 Z3 X4 + Z2 21.74563 + X3 0.07324 1.68670 + Y3 -0.08741 1.52043 1.52049 + Z3 -6.64814 -0.00800 0.03921 2.03271 + X4 0.19376 0.33236 0.27251 -0.05780 0.15607 + Y4 -0.00435 0.07589 0.04900 0.00216 -0.04507 + Z4 -8.44879 -0.05656 0.00734 2.58283 -0.08030 + Y4 Z4 + Y4 0.32825 + Z4 -0.00091 3.28318 + ITU= 0 + Eigenvalues --- 0.11609 0.18084 0.48468 1.36672 15.56442 + Eigenvalues --- 24.94327 + Angle between quadratic step and forces= 80.76 degrees. + Linear search not attempted -- first point. + TrRot= -0.000003 -0.000002 0.000000 0.000001 0.000000 0.000001 + Variable Old X -DE/DX Delta X Delta X Delta X New X + (Linear) (Quad) (Total) + X1 2.19244 0.00001 0.00000 -0.00001 -0.00001 2.19243 + Y1 -0.67381 0.00000 0.00000 0.00000 0.00000 -0.67381 + Z1 0.05628 -0.00001 0.00000 0.00000 0.00000 0.05628 + X2 -0.03312 -0.00002 0.00000 -0.00001 -0.00001 -0.03313 + Y2 0.13617 0.00000 0.00000 0.00000 0.00000 0.13617 + Z2 -0.00085 0.00002 0.00000 0.00000 0.00000 -0.00085 + X3 -1.63771 0.00001 0.00000 0.00000 0.00000 -1.63770 + Y3 -1.60625 0.00000 0.00000 -0.00001 -0.00001 -1.60626 + Z3 -0.04193 -0.00001 0.00000 0.00000 0.00000 -0.04193 + X4 -0.52160 0.00000 0.00000 0.00002 0.00001 -0.52159 + Y4 2.14389 0.00000 0.00000 0.00001 0.00001 2.14390 + Z4 -0.01349 -0.00001 0.00000 0.00000 0.00000 -0.01349 + Item Value Threshold Converged? + Maximum Force 0.000023 0.000450 YES + RMS Force 0.000010 0.000300 YES + Maximum Displacement 0.000015 0.001800 YES + RMS Displacement 0.000008 0.001200 YES + Predicted change in Energy=-8.437481D-11 + Optimization completed. + -- Stationary point found. + GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad + + Leave Link 103 at Thu Jan 16 16:11:26 2025, MaxMem= 24159191040 cpu: 0.1 + (Enter /usr/local/g09/l9999.exe) + + Test job not archived. + 1\1\GINC-N132\Freq\UB2PLYPD3-FC\def2TZVP\C1H1O2(2)\JINTAOWU\16-Jan-202 + 5\0\\#P guess=read ub2plypd3/def2tzvp freq IOp(7/33=1) integral=(grid= + ultrafine, Acc2E=12) IOp(2/9=2000) scf=(direct,tight)\\OCHO\\0,2\O,1.1 + 60188,-0.356566,0.029781\C,-0.017527,0.072059,-0.000452\O,-0.866638,-0 + .84999,-0.022189\H,-0.276021,1.134498,-0.00714\\Version=EM64L-G09RevD. + 01\State=2-A\HF=-188.8316671\MP2=-189.0369253\S2=0.767375\S2-1=0.\S2A= + 0.750119\RMSD=7.264e-09\RMSF=1.036e-05\ZeroPoint=0.0550277\Thermal=0.0 + 580115\Dipole=-0.221906,0.9126474,-0.0055829\DipoleDeriv=-31.1589897,- + 7.4635743,-1.8936399,8.6436978,1.6770648,0.2178623,-1.8742115,-0.19361 + 92,41.874786,60.2822649,14.461398,5.0754247,14.4628626,4.4892651,0.364 + 499,5.0721696,0.3775765,-137.4674501,-23.736332,-5.7028925,-1.6643704, + -21.8114606,-5.7483068,-0.5535691,-1.6822854,-0.1480788,41.8814726,-5. + 3869432,-1.2949312,-1.5174144,-1.2950999,-0.4180231,-0.0287922,-1.5156 + 727,-0.0358785,53.7111915\Polar=-374.9341892,-95.5810607,-4.9965622,12 + .6798329,-2.4066459,-869.549459\PG=C01 [X(C1H1O2)]\NImag=0\\2.89283354 + ,-0.81052810,0.31399298,0.02117293,-0.02098764,2.03332300,-4.96500770, + 1.40535005,0.04315921,9.54468165,-0.88386591,0.13288703,-0.02298754,2. + 11280438,1.36697176,0.04629430,0.03663582,-6.64869960,-0.31328919,0.05 + 513217,21.74562965,1.65704723,-0.51091243,-0.00866845,-3.67611210,-1.0 + 8540717,0.07323519,1.68670351,1.58170922,-0.41317091,0.04087097,-3.374 + 64674,-1.15632035,-0.08741403,1.52042889,1.52048993,-0.01064102,-0.013 + 26565,2.03260137,0.07644404,-0.02809866,-6.64814234,-0.00800264,0.0392 + 0673,2.03270699,0.41512693,-0.08390952,-0.05566369,-0.90356185,-0.1435 + 3129,0.19375970,0.33236136,0.27250863,-0.05780038,0.15607356,0.1126847 + 8,-0.03370910,0.00310422,-0.14350768,-0.34353844,-0.00435396,0.0758907 + 2,0.04900133,0.00215758,-0.04506782,0.32824621,-0.05682621,-0.00238253 + ,2.58277522,0.19368595,-0.00404597,-8.44878771,-0.05656410,0.00733633, + 2.58283398,-0.08029564,-0.00090784,3.28317851\\-0.00000855,0.00000254, + 0.00000701,0.00001986,0.00000283,-0.00002319,-0.00000745,-0.00000360,0 + .00000704,-0.00000386,-0.00000176,0.00000913\\\@ + + + YOU CANNOT THROW TO THE GROUND THE LETTERS OF + THE GREEK ALPHABET AND PICK UP THE ILIAD. + - RUFUS CHOATE, 1799-1859 + Job cpu time: 0 days 0 hours 31 minutes 54.0 seconds. + File lengths (MBytes): RWF= 1245 Int= 0 D2E= 0 Chk= 3 Scr= 1 + Normal termination of Gaussian 09 at Thu Jan 16 16:11:26 2025. diff --git a/examples/arkane/species/OCHO/input.py b/examples/arkane/species/OCHO/input.py new file mode 100644 index 00000000000..92682110ae5 --- /dev/null +++ b/examples/arkane/species/OCHO/input.py @@ -0,0 +1,16 @@ +title = 'OCHO' + +description = \ +""" +An example for defining a species using a direct (numeric) E0 input (see in OCHO.py) +""" + + +species('OCHO', 'OCHO.py', + structure = SMILES('[O]C=O'), + collisionModel = TransportData(sigma=(3.59,'angstrom'), epsilon=(4140.61,'J/mol')), + energyTransferModel = SingleExponentialDown(alpha0=(80,'cm^-1'), T0=(300,'K'), n=0.85), +) + +statmech('OCHO') + diff --git a/ipython/data/chem_annotated.inp b/ipython/data/chem_annotated.inp deleted file mode 100644 index 6ca38f88240..00000000000 --- a/ipython/data/chem_annotated.inp +++ /dev/null @@ -1,63469 +0,0 @@ -ELEMENTS - H - D /2.014/ - T /3.016/ - C - CI /13.003/ - O - OI /17.999/ - N - Ne - Ar - He - Si - S - F - Cl - Br - I - X /195.083/ -END - -SPECIES - Ar ! Ar - He ! He - Ne ! Ne - N2 ! N2 - RC10L(1) ! RC10L(1) - RC10(2) ! RC10(2) - LC10(3) ! LC10(3) - [CH2]C(C)L(4) ! [CH2]C(C)L(4) - C[CH]CC(C)CR(5) ! C[CH]CC(C)CR(5) - [CH2]C(C)CR(6) ! [CH2]C(C)CR(6) - C[CH]CC(C)L(7) ! C[CH]CC(C)L(7) - C[CH]L(8) ! C[CH]L(8) - C7H14R(9) ! [CH2]C(C)CC(C)CR(9) - C[CH]CR(10) ! C[CH]CR(10) - C6H12L(11) ! [CH2]C(C)CC(C)L(11) - C3H5R(12) ! C=CCR(12) - CC(C)L(13) ! CC(C)L(13) - [CH2]R(14) ! [CH2]R(14) - C8H16L(15) ! C[CH]CC(C)CC(C)L(15) - CCCC(C)L(16) ! CCCC(C)L(16) - C6H11R(17) ! C=CCC(C)CR(17) - C3H6(18) ! C=CC(18) - C2H3L(19) ! C=CL(19) - CC(C)CR(20) ! CC(C)CR(20) - C8H15L(21) ! C=CCC(C)CC(C)L(21) - CR(22) ! CR(22) - CC(C)CC(C)CR(23) ! CC(C)CC(C)CR(23) - C5H9L(24) ! C=CCC(C)L(24) - CC(C)CC(C)L(25) ! CC(C)CC(C)L(25) - CCL(26) ! CCL(26) - CCCR(27) ! CCCR(27) - C7H14LR(28) ! CC(L)CCC(C)CR(28) - C10H20LR(29) ! CC(L)CCC(C)CC(C)CR(29) - C9H18L2(30) ! CC(L)CCC(C)CC(C)L(30) - CC(L)CCR(31) ! CC(L)CCR(31) - CCCC(C)CR(32) ! CCCC(C)CR(32) - C8H16L2(33) ! CC(L)CC(C)CC(C)L(33) - CC(CR)CCR(34) ! CC(CR)CCR(34) - CC(L)CC(C)L(35) ! CC(L)CC(C)L(35) - C8H16R2(36) ! CC(CR)CC(C)CCR(36) - CC(L)CC(C)CR(37) ! CC(L)CC(C)CR(37) - C7H14LR(38) ! CC(L)CC(C)CCR(38) - C9H18R2(39) ! CC(CR)CC(C)C(C)CR(39) - C7H14R2(40) ! CC(CR)CC(C)CR(40) - CC(L)CR(41) ! CC(L)CR(41) - CC(CR)CR(42) ! CC(CR)CR(42) - C8H16LR(43) ! CC(CR)CC(C)C(C)L(43) - C8H16LR(44) ! CC(L)CC(C)C(C)CR(44) - CC(L)CCC(C)L(45) ! CC(L)CCC(C)L(45) - C7H14L2(46) ! CC(L)CC(C)C(C)L(46) - CC(L)C(C)CR(47) ! CC(L)C(C)CR(47) - C10H20R2(48) ! CC(CR)CC(C)CC(C)CR(48) - C8H17L(49) ! CCCC(C)CC(C)L(49) - C11H22L2(50) ! CC(L)CC(C)CC(C)CC(C)L(50) - CC(L)C(C)L(51) ! CC(L)C(C)L(51) - CC(CR)C(C)CR(52) ! CC(CR)C(C)CR(52) - C10H20L2(53) ! CC(L)CC(C)CC(C)C(C)L(53) - C11H22LR(54) ! CC(L)CC(C)CC(C)C(C)CR(54) - RCCR(55) ! RCCR(55) - C6H11R(56) ! CC=CC(C)CR(56) - C5H9L(57) ! CC=CC(C)L(57) - C3H5R(58) ! CC=CR(58) - C3H5L(59) ! C=C(C)L(59) - C4H7R(60) ! C=C(C)CR(60) - C8H15L(61) ! CC=CC(C)CC(C)L(61) - C7H13R(62) ! C=C(C)CC(C)CR(62) - C6H11L(63) ! C=C(C)CC(C)L(63) - C10H20R(64) ! CC(C)CC(C)CC(C)[CH]R(64) - C9H17LR(65) ! C[C](CC(C)L)CC(C)CR(65) - C9H17LR(66) ! CC(L)CC(C)[CH]C(C)CR(66) - C9H17LR(67) ! CC(L)CC(C)CC(C)[CH]R(67) - C9H17LR(68) ! CC(L)[CH]C(C)CC(C)CR(68) - C9H17LR(69) ! C[C](CR)CC(C)CC(C)L(69) - C9H17LR(70) ! [CH2]C(L)CC(C)CC(C)CR(70) - C9H17LR(71) ! [CH2]C(CR)CC(C)CC(C)L(71) - C9H17LR(72) ! C[C](L)CC(C)CC(C)CR(72) - C9H17LR(73) ! [CH2]C(CC(C)L)CC(C)CR(73) - CH3(74) ! CH3(74) - C(75) ! C(75) - C10H20L(76) ! CC(C)CC(C)CC(C)[CH]L(76) - C5H8L(77) ! CC=C[C](C)L(77) - C3H4R(78) ! C=C[CH]R(78) - C4H6R(79) ! C=C(C)[CH]R(79) - C[C]1CC1R(80) ! C[C]1CC1R(80) - C4H7R(81) ! CC(C)=CR(81) - H(82) ! H(82) - [H][H](83) ! [H][H](83) - C5H9L(84) ! CCC=C(C)L(84) - C7H15(85) ! [CH2]C(C)CC(C)C(85) - C3H5L(86) ! CC=CL(86) - CC(C)CC(C)C(87) ! CC(C)CC(C)C(87) - RC1[CH]C1(88) ! RC1[CH]C1(88) - C5H8L(89) ! C=C[CH]C(C)L(89) - C6H10R(90) ! CC=C[C](C)CR(90) - C4H5L(91) ! C=CC=CL(91) - C6H9L2(92) ! CC(L)C[CH]C=CL(92) - C[CH]CC(93) ! C[CH]CC(93) - C[CH]C(94) ! C[CH]C(94) - CCC(95) ! CCC(95) - C5H8L(96) ! CC[CH]C=CL(96) - C7H11LR(97) ! CC(CR)C[CH]C=CL(97) - C6H11R(98) ! CCC=C(C)CR(98) - C6H9LR(99) ! C[C](L)CCC=CR(99) - C7H9LR(100) ! LC=C[CH]CCC=CR(100) - CC(L)C[CH]L(101) ! CC(L)C[CH]L(101) - C3H5(102) ! [CH2]C=C(102) - C6H10L(103) ! C=C(C)[CH]C(C)L(103) - C5H7L(104) ! C=C(C)C=CL(104) - C6H9R(105) ! C=CCCC=CR(105) - C7H11L2(106) ! C[C](C=CL)CC(C)L(106) - C6H11L(107) ! CC(C)=CC(C)L(107) - C7H12R(108) ! C=C(C)[CH]C(C)CR(108) - C7H12R(109) ! C[C]1CC1C(C)CR(109) - C6H10(110) ! C=C(C)C=CC(110) - C6H9R(111) ! C=CCC(R)C=C(111) - C8H14L(112) ! CC=C[C](C)CC(C)L(112) - C6H9(113) ! [CH2]C=CC(=C)C(113) - C6H9(114) ! C[C]1C=CCC1(114) - C12H18(115) ! CC1=CC(C2(C)C=CCC2)CC1(115) - C6H10(116) ! CC1=CCCC1(116) - C12H18(117) ! CC1=CC(C2C=C(C)CC2)CC1(117) - C6H8(118) ! CC1=CC=CC1(118) - C10H14L(119) ! C=CC=C(C)CC[CH]C=CL(119) - C7H13R(120) ! CC(C)=CC(C)CR(120) - C10H14L(121) ! C=C(C)C=CCC[CH]C=CL(121) - C9H14L(122) ! C=CC=C(C)CC[C](C)L(122) - C6H7(123) ! CC1=CC=C[CH]1(123) - C5H9LR(124) ! CC(CR)C[CH]L(124) - C6H8(125) ! CC1=CCC=C1(125) - C7H11(126) ! C[C]1C=CCC1C(126) - C7H11(127) ! [CH2]C=CC(C)=CC(127) - C8H13LR(128) ! C[C](C=CL)CC(C)CR(128) - C8H11LR(129) ! C[C](C=CL)CCC=CR(129) - C7H10L(130) ! C=CCC[CH]C=CL(130) - C6H10L(131) ! CC[C](C)C=CL(131) - C9H14L(132) ! C=C(C)C=CCC[C](C)L(132) - C6H8R2(133) ! C=CC(R)CC=CR(133) - C8H11LR(134) ! CC(=CR)CC[CH]C=CL(134) - C11H16L(135) ! C=CC=C(C)CC[C](C)C=CL(135) - C11H16L(136) ! C=C(C)C=CCC[C](C)C=CL(136) - C10H16R(137) ! C=CC=C(C)CC[C](C)CR(137) - C5H9LR(138) ! CC(L)C[CH]CR(138) - C6H10L(139) ! C=CCC[C](C)L(139) - C10H16R(140) ! C=C(C)C=CCC[C](C)CR(140) - C8H12L(141) ! C=CCC[C](C)C=CL(141) - C9H13LR(142) ! C[C](C=CL)CCC(C)=CR(142) - C7H11LR(143) ! C[C](L)CCC(C)=CR(143) - C6H9LR(144) ! CC1(L)CCC1[CH]R(144) - C6H9L2(145) ! C=C[CH]C(L)C(C)L(145) - C7H11R2(146) ! C[C](CR)CCC=CR(146) - C3H4L(147) ! [CH2]C(=C)L(147) - C7H9LR(148) ! LC=CC1CC[CH]C1R(148) - L[C]1CC1(149) ! L[C]1CC1(149) - C7H9LR(150) ! LC1[CH]C2CCC1C2R(150) - C7H9LR(151) ! R[CH]C1CCC=CC1L(151) - C7H9L2(152) ! C=C(L)CC[CH]C=CL(152) - C7H12R(153) ! C=CCC[C](C)CR(153) - C7H9LR(154) ! LC1C2[CH]CCC1C2R(154) - CC[C](C)L(155) ! CC[C](C)L(155) - C4H7(156) ! [CH2]C(=C)C(156) - C4H8(157) ! C=C(C)C(157) - C[C]1CC1(158) ! C[C]1CC1(158) - C9H15(159) ! C[CH]CC1C=C(C)CC1(159) - C6H9(160) ! CC1=CCC[CH]1(160) - C6H9(161) ! [CH2]C=C(C)C=C(161) - C8H11L2(162) ! C=C(L)CC[C](C)C=CL(162) - C6H10(163) ! C=CCCC=C(163) - C8H12L(164) ! C=C(C)CC[CH]C=CL(164) - C6H8R2(165) ! RC=CCCC=CR(165) - C9H14L(166) ! C=CC(C)=CCC[C](C)L(166) - C10H14L(167) ! C=CC(C)=CCC[CH]C=CL(167) - C11H16L(168) ! C=CC(C)=CCC[C](C)C=CL(168) - C6H10L(169) ! C[C](L)C=C(C)C(169) - C6H9L2(170) ! C=C(L)CC[C](C)L(170) - C6H10R(171) ! C=C[CH]C(C)CR(171) - C7H11LR(172) ! CC1(L)CCC1(C)[CH]R(172) - C5H8(173) ! C=CC=CC(173) - C5H7(174) ! [CH2]C=CC=C(174) - C9H12L(175) ! C=CC=CCC[CH]C=CL(175) - C8H12L(176) ! C=CC=CCC[C](C)L(176) - C9H14R(177) ! C=CC=CCC[C](C)CR(177) - C5H7(178) ! [CH]1C=CCC1(178) - C10H14(179) ! C=CC=CCC1C=CCC1(179) - C5H8(180) ! C1=CCCC1(180) - C11H17(181) ! C=CC=CCC[C](C)C=CC(181) - C10H14L(182) ! C=CC=CCC[C](C)C=CL(182) - C10H15(183) ! C=CC=CCC[CH]C=CC(183) - C10H14(184) ! C=CC=CCCC=CC=C(184) - C9H12L(185) ! C=C[CH]C(L)CC=CC=C(185) - C10H14(186) ! C1=CC(C2C=CCC2)CC1(186) - C5H6(187) ! C1=CCC=C1(187) - C11H18L(188) ! C=CC=CCC[C](C)CC(C)L(188) - C5H5(189) ! [CH]1C=CC=C1(189) - C9H14L(190) ! C=C(C)CC[C](C)C=CL(190) - C8H13(191) ! C=CC=CCC[CH]C(191) - C12H20R(192) ! C=CC=CCC[C](C)CC(C)CR(192) - C7H12L(193) ! CC=C[CH]CC(C)L(193) - C8H12(194) ! C=CC=CCCC=C(194) - [CH2]CC(195) ! [CH2]CC(195) - C2H4(196) ! C=C(196) - C8H13(197) ! C=C[CH]C1CCC1C(197) - C8H13(198) ! [CH2]CC(C=C)C(=C)C(198) - C7H12R(199) ! C[C](C=C(C)C)CR(199) - C10H14(200) ! C=CC=CCC(C=C)C=C(200) - C10H12(201) ! C=CC=CCC1C=CC=C1(201) - C10H13(202) ! C=CC=CCC1C=C[CH]C1(202) - C5H9L2(203) ! C[C](L)CC(C)L(203) - C11H16(204) ! C=CC=CCC1C=C(C)CC1(204) - C10H14L(205) ! C=CC=CCC(L)[CH]C(=C)C(205) - C7H11LR(206) ! C=C[CH]C(L)C(C)CR(206) - C8H9R(207) ! RC=CCC1C=CC=C1(207) - C8H11LR(208) ! C[C]1CCC(C=CL)C1R(208) - C8H11LR(209) ! CC12CCC([CH]C1L)C2R(209) - C10H13(210) ! C=CC(C=C)C1[CH]C=CC1(210) - C11H16(211) ! C=CC=CCC1(C)C=CCC1(211) - C7H9LR(212) ! L[CH]C1CCC=CC1R(212) - C8H11R(213) ! C=CC=CCCC=CR(213) - C8H14R(214) ! CC=C[CH]CC(C)CR(214) - C7H9LR(215) ! RC1[CH]C2CCC1C2L(215) - C8H13R2(216) ! C[C](CR)CCC(C)=CR(216) - C7H9LR(217) ! RC=CC1CC[CH]C1L(217) - C7H9LR(218) ! R[CH]C=CCCC=CL(218) - C3H4L(219) ! [CH2]C=CL(219) - C4H5R(220) ! C=CC=CR(220) - C7H9(221) ! [CH2]CC1C=CC=C1(221) - C9H12R(222) ! C=CC=CCC[CH]C=CR(222) - C9H15(223) ! C=CC=CCC[C](C)C(223) - C4H6R(224) ! [CH2]C(=C)CR(224) - RC[C]1CC1(225) ! RC[C]1CC1(225) - C11H15(226) ! C=CC(C=C)C1[CH]C=C(C)C1(226) - C9H14R(227) ! C=CC=CCC(R)[C](C)C(227) - C9H13LR(228) ! C=C(CR)CC[C](C)C=CL(228) - C11H16(229) ! C=CC=CCC1CCC=C1C(229) - C7H10L(230) ! C=CC=CCC[CH]L(230) - C9H15(231) ! C[CH]CC1CCC=C1C(231) - C10H16R(232) ! C=CC(C)=CCC[C](C)CR(232) - C11H15(233) ! C=CC(C=C)C1[CH]C(C)=CC1(233) - C11H15(234) ! C=CC=CCC1CC=C[C]1C(234) - C10H15(235) ! C=C[CH]C(C)CC=CC=C(235) - C8H11LR(236) ! C=C(CR)CC[CH]C=CL(236) - C7H12L(237) ! C=C(C)CC[C](C)L(237) - C11H17(238) ! C=CC=C(C)CC[CH]C=CC(238) - C6H7(239) ! [CH2]C1=CC=CC1(239) - C10H13R(240) ! C=C1C=CC(CC(=C)CR)C1(240) - C9H12L(241) ! C[C](L)CCC1=CC=CC1(241) - C8H11(242) ! [CH2]CC1C=CCC1=C(242) - C10H12L(243) ! LC=C[CH]CCC1=CC=CC1(243) - C12H14(244) ! C=C1C=CC(C2C=CCC2=C)C1(244) - C9H12L(245) ! CC1(L)CCC2=C[CH]C1C2(245) - C11H14(246) ! C=CC=CCC1C=CC(=C)C1(246) - C10H14R(247) ! C[C](CR)CCC1=CC=CC1(247) - C11H14L(248) ! C[C](C=CL)CCC1=CC=CC1(248) - C10H12L(249) ! LC=CC1CCC2=C[CH]C1C2(249) - C10H14R(250) ! CC1(CR)CCC2=C[CH]C1C2(250) - C11H14(251) ! C=CC=CCC1C=CCC1=C(251) - C6H6(252) ! C=C1C=CC=C1(252) - C9H15L2(253) ! C[C](L)CCC(C)=CC(C)L(253) - C12H14(254) ! C=C1C=CC(C2C=CC(=C)C2)C1(254) - C12H14(255) ! C=C1CC=CC1C1C=CCC1=C(255) - C11H15(256) ! CC=C[CH]CCC1=CC=CC1(256) - C12H14(257) ! C=C1C=CC(CC2=CC=CC2)C1(257) - C11H14L(258) ! CC1(C=CL)CCC2=C[CH]C1C2(258) - C12H18L(259) ! C[C](CCC1=CC=CC1)CC(C)L(259) - C9H13(260) ! C=C1C=CC(C[CH]C)C1(260) - C12H14(261) ! C=C1CC=CC1CC1=CC=CC1(261) - C5H7L(262) ! C=CC=C(C)L(262) - C9H11R(263) ! C=C1C=CC(CC=CR)C1(263) - C9H11R(264) ! C=C1CC=CC1CC=CR(264) - C11H15(265) ! CC=CC1CCC2=C[CH]C1C2(265) - C12H17(266) ! CC=C[C](C)CCC1=CC=CC1(266) - C12H16(267) ! C=C1C=CC(C2C=C(C)CC2)C1(267) - C9H11R(268) ! C=CC(R)C1C=CC(=C)C1(268) - C12H16(269) ! C=C1CC=CC1C1C=C(C)CC1(269) - C9H11R(270) ! C=CC(R)C1C=CCC1=C(270) - C11H14(271) ! C=CC=CCCC1=CC=CC1(271) - C9H12(272) ! C=CCC1C=CC(=C)C1(272) - C12H16(273) ! C=C1C=CC(C2(C)C=CCC2)C1(273) - C11H14(274) ! C=C1C=CC(C2C=CCC2)C1(274) - C9H12(275) ! C=CCC1C=CCC1=C(275) - C11H14(276) ! C=C1CC=CC1C1C=CCC1(276) - C12H14(277) ! C1=CCC(CCC2=CC=CC2)=C1(277) - C11H14(278) ! C=CC(C=C)C1C=CC(=C)C1(278) - C11H14(279) ! C=CC(C=C)C1C=CCC1=C(279) - C12H16(280) ! C=C1CC=CC1C1(C)C=CCC1(280) - C13H20R(281) ! C[C](CCC1=CC=CC1)CC(C)CR(281) - C10H12L(282) ! C=C1C=CC(C[CH]C=CL)C1(282) - C12H15(283) ! C=C1CC=CC1C1[CH]C=C(C)C1(283) - C11H12(284) ! C=C1C=CC(C2C=CC=C2)C1(284) - C6H9R(285) ! CC=CC(C)=CR(285) - C7H12R(286) ! CC=C[C](C)C(C)R(286) - C6H8R(287) ! [CH2]C=CC(C)=CR(287) - C6H8R(288) ! C[C]1C=CCC1R(288) - C10H13LR(289) ! CC(C=CCC[CH]C=CL)=CR(289) - C6H8(290) ! C=C1C=CCC1(290) - C8H12R(291) ! [CH2]CC(C=C)C(C)=CR(291) - C10H12L(292) ! C=C[CH]C(L)CC1=CC=CC1(292) - C9H12L(293) ! C=C1C=CC(C[C](C)L)C1(293) - C12H18L(294) ! CC(L)CC1(C)CCC2=C[CH]C1C2(294) - C11H15LR(295) ! C[C](C=CL)CCC=CC(C)=CR(295) - C12H15R(296) ! C=CC=C(C)C(R)C1C=CC(=C)C1(296) - C11H14L(297) ! C=C1C=CC(C[C](C)C=CL)C1(297) - C11H13(298) ! C=C1CC=CC1C1[CH]C=CC1(298) - C9H13LR(299) ! C[C](L)CCC=CC(C)=CR(299) - C12H15R(300) ! C=CC(C(C)=CR)C1C=CC(=C)C1(300) - C12H15R(301) ! C=C1C=CC(CC=CC(C)=CR)C1(301) - C12H15R(302) ! C=CC=C(C)C(R)C1C=CCC1=C(302) - C12H15R(303) ! C=CC(C(C)=CR)C1C=CCC1=C(303) - C12H15R(304) ! C=C1CC=CC1CC=CC(C)=CR(304) - C12H16R2(305) ! C=CC=C(C)C(R)C(C=C)C(C)=CR(305) - C12H15R(306) ! C=C1C=CC(C2C=C(C)C(R)C2)C1(306) - C10H12L(307) ! C=CC1C(L)CC2=C[CH]C1C2(307) - C12H16(308) ! C=C1C=CC(C2CCC=C2C)C1(308) - C12H16(309) ! C=C1CC=CC1C1CCC=C1C(309) - C13H20R(310) ! CC(CR)CC1(C)CCC2=C[CH]C1C2(310) - C9H13(311) ! C[CH]CCC1=CC=CC1(311) - C9H13(312) ! CC1CCC2=C[CH]C1C2(312) - C9H13(313) ! CC1CCC2=CC1[CH]C2(313) - C9H12L(314) ! CC1(L)CCC2=CC1[CH]C2(314) - C12H16R2(315) ! C=CC=C(C)C(R)CC=CC(C)=CR(315) - C10H14R(316) ! C=C1C=CC(C[C](C)CR)C1(316) - C12H15R(317) ! C=C1C=CC(C2(C)C=CCC2R)C1(317) - C10H15R2(318) ! C[C](CR)CCC=CC(C)=CR(318) - C12H16R2(319) ! C=CC(CC=CC(C)=CR)C(C)=CR(319) - C12H15R(320) ! C=C1CC=CC1C1C=C(C)C(R)C1(320) - C12H15R(321) ! C=C1CC=CC1C1(C)C=CCC1R(321) - C12H15R(322) ! C=CC=C(C)C(R)CC1=CC=CC1(322) - C12H15(323) ! C=C1CC=CC1C1[CH]C(C)=CC1(323) - C10H12R(324) ! RC=C[CH]CCC1=CC=CC1(324) - C6H11L(325) ! CC(L)=CC(C)C(325) - C11H14L(326) ! C=C(C)[CH]C(L)CC1=CC=CC1(326) - C11H14L(327) ! C=C(C)C1C(L)CC2=C[CH]C1C2(327) - C8H10L(328) ! C=C1C=CC(C[CH]L)C1(328) - C11H12(329) ! C=C1CC=CC1C1C=CC=C1(329) - C7H13R(330) ! CC(=CC(C)C)CR(330) - C11H14(331) ! C=CC(C=C)CC1=CC=CC1(331) - C9H14L(332) ! C[C](L)CC1CCC=C1C(332) - C10H12R(333) ! RC=CC1CCC2=C[CH]C1C2(333) - C12H15R(334) ! C=CC(CC1=CC=CC1)C(C)=CR(334) - C12H16(335) ! C=CC=C(C)CC1C=CC(=C)C1(335) - C12H15R(336) ! CC(C=CCCC1=CC=CC1)=CR(336) - C12H15(337) ! C[C]1C=CCC1CC1=CC=CC1(337) - C9H13R(338) ! C=CC=C(C)C(R)CC=C(338) - [CH2]C(C)C(399) ! [CH2]C(C)C(399) - C5H8LR(1393) ! CC(L)CC=CR(1393) - C6H9R(1802) ! C=CC=C(C)CR(1802) - C4H6L(1895) ! C=C[CH]CL(1895) - C10H17LR(3394) ! C[C](L)CCC(C)=CC(C)CR(3394) - C13H22R(4080) ! C=C(C)C=CCC[C](C)CC(C)CR(4080) - C13H22R(4084) ! C=CC=C(C)CC[C](C)CC(C)CR(4084) - C12H20L(4086) ! C=C(C)C=CCC[C](C)CC(C)L(4086) - C12H20L(4090) ! C=CC=C(C)CC[C](C)CC(C)L(4090) - C11H17(10750) ! C=C(C)C=CCC[CH]C=CC(10750) - C11H16(11277) ! C=CC=CCCC=CC(=C)C(11277) - C11H16(11279) ! C=CC=CCC(C=C)C(=C)C(11279) - C11H16(11281) ! C=CC=CCCC(C)=CC=C(11281) - C6H8(18175) ! C=C1CC=CC1(18175) - C9H12R(18180) ! RC[CH]CCC1=CC=CC1(18180) - C9H12R(18184) ! C=C1C=CC(C[CH]CR)C1(18184) - C9H13(18191) ! [CH2]C(C)CC1=CC=CC1(18191) - C9H13(18194) ! [CH2]C(C)C1C=CC(=C)C1(18194) - C8H10L(18195) ! L[CH]CCC1=CC=CC1(18195) - C9H12R(18224) ! CC([CH]R)CC1=CC=CC1(18224) - C9H12R(18225) ! C[CH]C(R)CC1=CC=CC1(18225) - C13H20R(18248) ! C=C1C=CC(C[C](C)CC(C)CR)C1(18248) - C12H18L(18253) ! C=C1C=CC(C[C](C)CC(C)L)C1(18253) - C9H11R(18275) ! C=CC(R)CC1=CC=CC1(18275) - C9H11R(18276) ! RC=CCCC1=CC=CC1(18276) - C10H13R(18278) ! C=C(C)C(R)CC1=CC=CC1(18278) - C10H13R(18279) ! C=C(C)C(R)C1C=CCC1=C(18279) - C10H13R(18280) ! C=C1C=CC(C(R)C(=C)C)C1(18280) - C10H13R(18281) ! CC(=CR)CCC1=CC=CC1(18281) - C10H13R(18282) ! C=C1CC=CC1CC(C)=CR(18282) - C10H13R(18283) ! C=C1C=CC(CC(C)=CR)C1(18283) - C10H14R(18285) ! C[C](C)C(R)CC1=CC=CC1(18285) - C9H12(18323) ! C=CCCC1=CC=CC1(18323) - C12H16(18374) ! C=C(C)C=CCCC1=CC=CC1(18374) - C12H16(18375) ! C=C(C)C=CCC1C=CCC1=C(18375) - C12H16(18376) ! C=C(C)C=CCC1C=CC(=C)C1(18376) - C12H16(18377) ! C=CC(CC1=CC=CC1)C(=C)C(18377) - C12H16(18378) ! C=CC(C(=C)C)C1C=CCC1=C(18378) - C12H16(18379) ! C=CC(C(=C)C)C1C=CC(=C)C1(18379) - C12H16(18380) ! C=CC=C(C)CCC1=CC=CC1(18380) - C12H16(18381) ! C=CC=C(C)CC1C=CCC1=C(18381) - C12H15(18389) ! CC1=C[CH]C(CC2=CC=CC2)C1(18389) - C12H15(18406) ! CC1=CCC(CC2=CC=CC2)[CH]1(18406) - C9H11L(18430) ! C=C(L)CC1C=CCC1=C(18430) - C9H11L(18431) ! C=C(L)CC1C=CC(=C)C1(18431) - C10H14(18433) ! C=C(C)CCC1=CC=CC1(18433) - C10H14(18434) ! C=C(C)CC1C=CCC1=C(18434) - C10H14(18435) ! C=C(C)CC1C=CC(=C)C1(18435) - C10H15(18437) ! C[C](C)CCC1=CC=CC1(18437) - C11H15(18454) ! C=C[CH]C(C)CC1=CC=CC1(18454) - C11H15(18464) ! C=C1C=CC(C[CH]C=CC)C1(18464) - C11H13(18468) ! [CH]1C=CCC1CC1=CC=CC1(18468) - C10H13R(18540) ! C=C(CR)CC1C=CCC1=C(18540) - C12H16(18679) ! CC1(CC2=CC=CC2)C=CCC1(18679) - C12H16(18680) ! CC1=CC(CC2=CC=CC2)CC1(18680) - C12H16(18717) ! CC1=CCCC1CC1=CC=CC1(18717) - C12H16(18724) ! C=CC(C)=CCCC1=CC=CC1(18724) - C12H16(18725) ! C=CC(C)=CCC1C=CCC1=C(18725) - C12H16(18726) ! C=CC(C)=CCC1C=CC(=C)C1(18726) - C11H14(18772) ! C1=CCC(CC2C=CCC2)=C1(18772) - C9H13(20452) ! CC1C[C]2C=CC(C2)C1(20452) - C10H14L(20637) ! C=CC=CCC[CH]C=C(C)L(20637) - C11H14L(20661) ! CC(L)=C[CH]CCC1=CC=CC1(20661) - C12H15(22038) ! [CH]1C=C(CCC2=CC=CC2)CC1(22038) - C10H13L(22766) ! C=C1C=CC(CC=CCL)C1(22766) - C6H7R(24238) ! CC1=CC=CC1R(24238) - C9H12R2(24302) ! C=CC=C(C)C(R)CC=CR(24302) - C9H13R(24328) ! C=CCC(C=C)C(C)=CR(24328) - C12H15R(24501) ! CC1(CC2=CC=CC2)C=CCC1R(24501) - C12H15R(24502) ! CC1=CC(CC2=CC=CC2)CC1R(24502) - C9H13(26444) ! CC1CCC12[CH]C=CC2(26444) - CC(C)C(29484) ! CC(C)C(29484) - C8H10L(30673) ! LC1CCC2=CC1[CH]C2(30673) - C8H10L(30674) ! LC1CCC2=C[CH]C1C2(30674) - C10H15(32869) ! CC1(C)CC[C]2CC=CC21(32869) - C10H15(32871) ! CC1(C)CC[C]2C=CC1C2(32871) - C10H14R(33566) ! CC1(C)C(R)CC2=C[CH]C1C2(33566) - C9H12R(34500) ! CC1C(R)CC2=C[CH]C1C2(34500) - C11H15(35243) ! C=CC1C(C)C[C]2CC=CC21(35243) - C11H15(35245) ! C=CC1C(C)C[C]2C=CC1C2(35245) - C4H7L(36302) ! CC=CCL(36302) - C7H11L2(36342) ! C[C](L)CCC=CCL(36342) - C9H12R(38722) ! CC1CC2=CC([CH]C2)C1R(38722) - C9H12R(38723) ! CC1CC2=C[CH]C(C2)C1R(38723) - C9H13(38809) ! CC1CC2=CC([CH]C2)C1(38809) - C9H12R(39454) ! RCC1CCC2=C[CH]C1C2(39454) -END - - - -THERM ALL - 300.000 1000.000 5000.000 - -! Thermo library: primaryThermoLibrary -Ar Ar 1 G 200.000 6000.000 1000.00 1 - 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 --7.45375000E+02 4.37967000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 - 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967000E+00 4 - -! Thermo library: primaryThermoLibrary -He He 1 G 200.000 6000.000 1000.00 1 - 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 --7.45375000E+02 9.28724000E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 - 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28724000E-01 4 - -! Thermo library: primaryThermoLibrary -Ne Ne 1 G 200.000 6000.000 1000.00 1 - 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 --7.45375000E+02 3.35532000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 - 0.00000000E+00 0.00000000E+00-7.45375000E+02 3.35532000E+00 4 - -! Thermo library: primaryThermoLibrary -N2 N 2 G 200.000 6000.000 1000.00 1 - 2.95258000E+00 1.39690000E-03-4.92632000E-07 7.86010000E-11-4.60755000E-15 2 --9.23949000E+02 5.87189000E+00 3.53101000E+00-1.23661000E-04-5.02999000E-07 3 - 2.43531000E-09-1.40881000E-12-1.04698000E+03 2.96747000E+00 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -RC10L(1) C 9H 18 G 100.000 5000.000 1475.27 1 - 7.59528611E+01 2.20398637E-01-9.14165528E-05 1.66861152E-08-1.13498563E-12 2 --8.62394036E+04-3.30152770E+02-1.93244509E+01 4.78730549E-01-3.54078942E-04 3 - 1.35381875E-07-2.12492329E-11-5.81274570E+04 1.66552894E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -RC10(2) C 10H 21 G 100.000 5000.000 1541.52 1 - 5.25819112E+01 1.41559443E-01-5.75049538E-05 1.03543536E-08-6.97199284E-13 2 --6.81216129E+04-2.27869605E+02-1.12586940E+01 3.07216242E-01-2.18700413E-04 3 - 8.00673617E-08-1.20031246E-11-4.84393644E+04 1.07752431E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -LC10(3) C 10H 21 G 100.000 5000.000 1541.52 1 - 5.25819112E+01 1.41559443E-01-5.75049538E-05 1.03543536E-08-6.97199284E-13 2 --6.81216129E+04-2.27869605E+02-1.12586940E+01 3.07216242E-01-2.18700413E-04 3 - 8.00673617E-08-1.20031246E-11-4.84393644E+04 1.07752431E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) -[CH2]C(C)L(4) C 3H 6 G 100.000 5000.000 1541.83 1 - 3.85263906E+01 9.20737671E-02-3.61812354E-05 6.40440974E-09-4.27053219E-13 2 --1.72857131E+04-1.58964846E+02-6.64458714E+00 2.09262111E-01-1.50190622E-04 3 - 5.57007052E-08-8.42022648E-12-3.35656505E+03 7.85165414E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! radical(RCCJC) -C[CH]CC(C)CR(5) C 6H 12 G 100.000 5000.000 1504.78 1 - 3.73110068E+01 1.24090988E-01-5.16915954E-05 9.42939166E-09-6.40147780E-13 2 --2.63151970E+04-1.45476457E+02-7.63102707E+00 2.43555525E-01-1.70776457E-04 3 - 6.21877884E-08-9.40526826E-12-1.27896006E+04 8.97083637E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) -[CH2]C(C)CR(6) C 4H 8 G 100.000 5000.000 1519.91 1 - 3.92972533E+01 1.00629423E-01-4.00342189E-05 7.13854495E-09-4.78395364E-13 2 --2.03296949E+04-1.61024373E+02-7.18965368E+00 2.22972227E-01-1.60775972E-04 3 - 6.00992802E-08-9.18967192E-12-6.19869614E+03 8.27092716E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) -C[CH]CC(C)L(7) C 5H 10 G 100.000 5000.000 1528.48 1 - 3.66313351E+01 1.15380919E-01-4.77499172E-05 8.67437936E-09-5.87079363E-13 2 --2.33094290E+04-1.43930256E+02-7.07660540E+00 2.29762870E-01-1.59999807E-04 3 - 5.76332992E-08-8.59480160E-12-9.94799178E+03 8.54797337E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJC) -C[CH]L(8) C 2H 4 G 100.000 5000.000 1579.29 1 - 3.21217372E+01 9.35182810E-02-3.84391464E-05 6.94331813E-09-4.67564767E-13 2 --1.29304278E+04-1.24747764E+02-5.16083715E+00 1.87946445E-01-1.28125933E-04 3 - 4.48026431E-08-6.46062354E-12-1.15436187E+03 7.21565346E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) -C7H14R(9) C 7H 14 G 100.000 5000.000 1490.61 1 - 4.40902741E+01 1.22074368E-01-4.91283992E-05 8.82238256E-09-5.94227390E-13 2 --3.08522359E+04-1.81847704E+02-9.10947611E+00 2.64833564E-01-1.92786413E-04 3 - 7.30723786E-08-1.13699802E-11-1.49921665E+04 9.60470823E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! radical(RCCJC) -C[CH]CR(10) C 3H 6 G 100.000 5000.000 1547.65 1 - 3.27303213E+01 1.02317717E-01-4.24205492E-05 7.70581332E-09-5.21141571E-13 2 --1.58940403E+04-1.25871154E+02-5.70657103E+00 2.01658272E-01-1.38700569E-04 3 - 4.91786017E-08-7.22032038E-12-3.99642459E+03 7.63522612E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Isobutyl) -C6H12L(11) C 6H 12 G 100.000 5000.000 1508.31 1 - 4.32997881E+01 1.13536214E-01-4.52795603E-05 8.08827009E-09-5.42830726E-13 2 --2.77937857E+04-1.79666252E+02-8.55761480E+00 2.51060899E-01-1.82046718E-04 3 - 6.85388497E-08-1.05624307E-11-1.21503963E+04 9.18285434E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) -C3H5R(12) C 3H 5 G 100.000 5000.000 1625.44 1 - 4.13862881E+01 8.61337216E-02-3.42268835E-05 6.07203419E-09-4.04046532E-13 2 --2.75511326E+04-1.77368601E+02-6.54350417E+00 2.04082902E-01-1.43073661E-04 3 - 5.07150689E-08-7.27035182E-12-1.19697443E+04 7.71481686E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) -CC(C)L(13) C 3H 7 G 100.000 5000.000 1644.57 1 - 4.27916236E+01 8.93842125E-02-3.51299322E-05 6.18767706E-09-4.09634053E-13 2 --4.43623526E+04-1.87521249E+02-6.93229131E+00 2.10323244E-01-1.45435879E-04 3 - 5.09022255E-08-7.20683389E-12-2.80072178E+04 7.71052377E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(RCCJ) -[CH2]R(14) C 1H 2 G 100.000 5000.000 1624.69 1 - 3.64343719E+01 7.74270253E-02-3.08291301E-05 5.47403071E-09-3.64440441E-13 2 --1.05305705E+04-1.52031513E+02-5.26002960E+00 1.80079364E-01-1.25603569E-04 3 - 4.43634158E-08-6.34858670E-12 3.01747437E+03 6.93547196E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! radical(RCCJC) -C8H16L(15) C 8H 16 G 100.000 5000.000 1494.00 1 - 4.12792897E+01 1.37057211E-01-5.69716248E-05 1.03873720E-08-7.05271163E-13 2 --3.37654893E+04-1.63926566E+02-9.00332731E+00 2.71682854E-01-1.92138096E-04 3 - 7.07026926E-08-1.07982084E-11-1.87410614E+04 9.88442474E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CCCC(C)L(16) C 5H 11 G 100.000 5000.000 1594.11 1 - 4.40713161E+01 1.06818786E-01-4.29770201E-05 7.68206216E-09-5.14061186E-13 2 --4.98892225E+04-1.89383727E+02-7.99085891E+00 2.37454646E-01-1.65900196E-04 3 - 5.90891050E-08-8.57606016E-12-3.32905943E+04 8.60637692E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H11R(17) C 6H 11 G 100.000 5000.000 1578.29 1 - 4.59276097E+01 1.07895147E-01-4.34620486E-05 7.78252817E-09-5.21698626E-13 2 --3.83266623E+04-1.96694728E+02-8.43351518E+00 2.45669206E-01-1.74403678E-04 3 - 6.30927637E-08-9.28291777E-12-2.11673688E+04 9.03728099E+01 4 - -! Thermo library: DFT_QCI_thermo -C3H6(18) C 3H 6 G 100.000 5000.000 983.75 1 - 5.36754852E+00 1.70743074E-02-6.35107943E-06 1.16619604E-09-8.27620902E-14 2 --4.87136983E+02-4.54465723E+00 3.31912186E+00 8.17957661E-03 3.34736487E-05 3 --4.36194166E-08 1.58213573E-11 7.49325292E+02 9.54024758E+00 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C2H3L(19) C 2H 3 G 100.000 5000.000 1653.46 1 - 4.07472692E+01 7.74275193E-02-3.03142241E-05 5.32811083E-09-3.52144137E-13 2 --2.45919396E+04-1.76104698E+02-6.01948220E+00 1.90563667E-01-1.32949543E-04 3 - 4.67099481E-08-6.60896857E-12-9.12647370E+03 7.30356709E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CC(C)CR(20) C 4H 9 G 100.000 5000.000 1618.41 1 - 4.34228450E+01 9.81075269E-02-3.90538119E-05 6.93445619E-09-4.61784836E-13 2 --4.73199304E+04-1.88744173E+02-7.45870284E+00 2.23863364E-01-1.55607832E-04 3 - 5.49457984E-08-7.87816021E-12-3.08503528E+04 8.12269298E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C8H15L(21) C 8H 15 G 100.000 5000.000 1561.45 1 - 4.98474090E+01 1.20915066E-01-4.87623012E-05 8.74356210E-09-5.86973757E-13 2 --4.57452936E+04-2.14851163E+02-9.79588657E+00 2.73705132E-01-1.95539931E-04 3 - 7.14110239E-08-1.06205466E-11-2.71193564E+04 9.94709841E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CR(22) C 1H 3 G 100.000 5000.000 1679.72 1 - 3.90478443E+01 7.61426480E-02-2.97303858E-05 5.20770642E-09-3.43051755E-13 2 --3.66461511E+04-1.69718848E+02-5.58579996E+00 1.82431290E-01-1.24647088E-04 3 - 4.28794655E-08-5.94992102E-12-2.16517950E+04 6.87607578E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CC(C)CC(C)CR(23) C 7H 15 G 100.000 5000.000 1574.47 1 - 4.79531879E+01 1.19892290E-01-4.83040988E-05 8.64877813E-09-5.79768956E-13 2 --5.76902548E+04-2.08012014E+02-9.35195126E+00 2.65478226E-01-1.87004124E-04 3 - 6.73775800E-08-9.90494434E-12-3.96452207E+04 9.44639985E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C5H9L(24) C 5H 9 G 100.000 5000.000 1600.35 1 - 4.52409493E+01 9.92347396E-02-3.95629486E-05 7.03978495E-09-4.69776807E-13 2 --3.53331899E+04-1.95136900E+02-7.89885641E+00 2.32054825E-01-1.64054195E-04 3 - 5.88996470E-08-8.57108525E-12-1.83246844E+04 8.62196191E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CC(C)CC(C)L(25) C 6H 13 G 100.000 5000.000 1595.34 1 - 4.72741267E+01 1.11217363E-01-4.43960626E-05 7.90383831E-09-5.27660133E-13 2 --5.46992807E+04-2.06495741E+02-8.81576052E+00 2.51850339E-01-1.76623334E-04 3 - 6.31589402E-08-9.18640617E-12-3.68026221E+04 9.03049262E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CCL(26) C 2H 5 G 100.000 5000.000 1648.26 1 - 3.96316091E+01 8.49195137E-02-3.36752866E-05 5.95790351E-09-3.95396480E-13 2 --3.95727588E+04-1.70654782E+02-6.10590951E+00 1.95915286E-01-1.34686954E-04 3 - 4.68137421E-08-6.59220368E-12-2.44952792E+04 7.28583139E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CCCR(27) C 3H 7 G 100.000 5000.000 1619.33 1 - 4.02383699E+01 9.36798304E-02-3.76187744E-05 6.70903400E-09-4.47891496E-13 2 --4.25183136E+04-1.71736776E+02-6.63284667E+00 2.09459578E-01-1.44867030E-04 3 - 5.08625565E-08-7.26455325E-12-2.73383810E+04 7.69820737E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C7H14LR(28) C 7H 14 G 100.000 5000.000 1479.02 1 - 7.19338964E+01 2.07510640E-01-8.61785979E-05 1.57375767E-08-1.07061559E-12 2 --7.87648661E+04-3.11411839E+02-1.79529115E+01 4.50608518E-01-3.32724419E-04 3 - 1.26867651E-07-1.98549942E-11-5.21759438E+04 1.57420074E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C10H20LR(29) C 10H 20 G 100.000 5000.000 1466.16 1 - 7.67441503E+01 2.28947774E-01-9.52763901E-05 1.74235795E-08-1.18670493E-12 2 --8.93030266E+04-3.32347701E+02-1.98836507E+01 4.92570837E-01-3.64985722E-04 3 - 1.40061853E-07-2.20983092E-11-6.09688382E+04 1.70799299E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -C9H18L2(30) C 9H 18 G 100.000 5000.000 1475.27 1 - 7.59528611E+01 2.20398637E-01-9.14165528E-05 1.66861152E-08-1.13498563E-12 2 --8.62394036E+04-3.30152770E+02-1.93244509E+01 4.78730549E-01-3.54078942E-04 3 - 1.35381875E-07-2.12492329E-11-5.81274570E+04 1.66552894E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -CC(L)CCR(31) C 4H 8 G 100.000 5000.000 1494.35 1 - 6.71460882E+01 1.86045197E-01-7.70682258E-05 1.40492108E-08-9.54366487E-13 2 --6.82399178E+04-2.90609368E+02-1.60257393E+01 4.08679900E-01-3.00549296E-04 3 - 1.13751724E-07-1.76346235E-11-4.33828661E+04 1.44054310E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -CCCC(C)CR(32) C 6H 13 G 100.000 5000.000 1571.50 1 - 4.47361094E+01 1.15517591E-01-4.68986533E-05 8.43018160E-09-5.66431604E-13 2 --5.28741224E+04-1.90819487E+02-8.52834708E+00 2.51093805E-01-1.76306547E-04 3 - 6.33280547E-08-9.29979511E-12-3.61331189E+04 9.02278398E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -C8H16L2(33) C 8H 16 G 100.000 5000.000 1484.71 1 - 7.51657343E+01 2.11846595E-01-8.75566252E-05 1.59488868E-08-1.08330118E-12 2 --8.31791443E+04-3.27984274E+02-1.87673673E+01 4.64909968E-01-3.43221574E-04 3 - 1.30745896E-07-2.04128278E-11-5.52859650E+04 1.62314504E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -CC(CR)CCR(34) C 5H 10 G 100.000 5000.000 1483.31 1 - 6.79194031E+01 1.94616011E-01-8.09371883E-05 1.47882824E-08-1.00618649E-12 2 --7.12925726E+04-2.92696761E+02-1.65814805E+01 4.22487642E-01-3.11373300E-04 3 - 1.18356929E-07-1.84618888E-11-4.62244259E+04 1.48287650E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -CC(L)CC(C)L(35) C 5H 10 G 100.000 5000.000 1499.79 1 - 7.03777505E+01 1.90385023E-01-7.84498327E-05 1.42615841E-08-9.67153121E-13 2 --7.26555240E+04-3.07183409E+02-1.68423354E+01 4.23001038E-01-3.11094971E-04 3 - 1.17672369E-07-1.82044417E-11-4.64927737E+04 1.48956870E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C8H16R2(36) C 8H 16 G 100.000 5000.000 1469.25 1 - 7.27198238E+01 2.16067137E-01-9.00420105E-05 1.64757764E-08-1.12238939E-12 2 --8.18255679E+04-3.13575341E+02-1.85116031E+01 4.64443913E-01-3.43618374E-04 3 - 1.31535688E-07-2.07004907E-11-5.50173505E+04 1.61664570E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -CC(L)CC(C)CR(37) C 6H 12 G 100.000 5000.000 1489.22 1 - 7.11536137E+01 1.98949166E-01-8.23140692E-05 1.49993977E-08-1.01886043E-12 2 --7.57083234E+04-3.09283436E+02-1.73964228E+01 4.36793657E-01-3.21882019E-04 3 - 1.22245574E-07-1.90227436E-11-4.93344220E+04 1.53183919E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C7H14LR(38) C 7H 14 G 100.000 5000.000 1479.02 1 - 7.19338964E+01 2.07510640E-01-8.61785979E-05 1.57375767E-08-1.07061559E-12 2 --7.87648661E+04-3.11411839E+02-1.79529115E+01 4.50608518E-01-3.32724419E-04 3 - 1.26867651E-07-1.98549942E-11-5.21759438E+04 1.57420074E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C9H18R2(39) C 9H 18 G 100.000 5000.000 1475.27 1 - 7.59528611E+01 2.20398637E-01-9.14165528E-05 1.66861152E-08-1.13498563E-12 2 --8.62394036E+04-3.30152770E+02-1.93244509E+01 4.78730549E-01-3.54078942E-04 3 - 1.35381875E-07-2.12492329E-11-5.81274570E+04 1.66552894E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C7H14R2(40) C 7H 14 G 100.000 5000.000 1479.02 1 - 7.19338964E+01 2.07510640E-01-8.61785979E-05 1.57375767E-08-1.07061559E-12 2 --7.87648661E+04-3.11411839E+02-1.79529115E+01 4.50608518E-01-3.32724419E-04 3 - 1.26867651E-07-1.98549942E-11-5.21759438E+04 1.57420074E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -CC(L)CR(41) C 3H 6 G 100.000 5000.000 1505.82 1 - 6.63779470E+01 1.77470953E-01-7.31993102E-05 1.33104776E-08-9.02593934E-13 2 --6.51915286E+04-2.88554972E+02-1.54725850E+01 3.94896093E-01-2.89784759E-04 3 - 1.09198923E-07-1.68222817E-11-4.05411699E+04 1.39830782E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -CC(CR)CR(42) C 4H 8 G 100.000 5000.000 1494.35 1 - 6.71460882E+01 1.86045197E-01-7.70682258E-05 1.40492108E-08-9.54366487E-13 2 --6.82399178E+04-2.90609368E+02-1.60257393E+01 4.08679900E-01-3.00549296E-04 3 - 1.13751724E-07-1.76346235E-11-4.33828661E+04 1.44054310E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C8H16LR(43) C 8H 16 G 100.000 5000.000 1484.71 1 - 7.51657343E+01 2.11846595E-01-8.75566252E-05 1.59488868E-08-1.08330118E-12 2 --8.31791443E+04-3.27984274E+02-1.87673673E+01 4.64909968E-01-3.43221574E-04 3 - 1.30745896E-07-2.04128278E-11-5.52859650E+04 1.62314504E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C8H16LR(44) C 8H 16 G 100.000 5000.000 1484.71 1 - 7.51657343E+01 2.11846595E-01-8.75566252E-05 1.59488868E-08-1.08330118E-12 2 --8.31791443E+04-3.27984274E+02-1.87673673E+01 4.64909968E-01-3.43221574E-04 3 - 1.30745896E-07-2.04128278E-11-5.52859650E+04 1.62314504E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -CC(L)CCC(C)L(45) C 6H 12 G 100.000 5000.000 1489.22 1 - 7.11536137E+01 1.98949166E-01-8.23140692E-05 1.49993977E-08-1.01886043E-12 2 --7.57083234E+04-3.09283436E+02-1.73964228E+01 4.36793657E-01-3.21882019E-04 3 - 1.22245574E-07-1.90227436E-11-4.93344220E+04 1.53183919E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -C7H14L2(46) C 7H 14 G 100.000 5000.000 1494.60 1 - 7.43845326E+01 2.03289032E-01-8.36952377E-05 1.52115930E-08-1.03162789E-12 2 --8.01231385E+04-3.25852407E+02-1.82123807E+01 4.51108910E-01-3.32413134E-04 3 - 1.26153446E-07-1.95889395E-11-5.24443634E+04 1.58084057E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -CC(L)C(C)CR(47) C 5H 10 G 100.000 5000.000 1499.79 1 - 7.03777505E+01 1.90385023E-01-7.84498327E-05 1.42615841E-08-9.67153121E-13 2 --7.26555240E+04-3.07183409E+02-1.68423354E+01 4.23001038E-01-3.11094971E-04 3 - 1.17672369E-07-1.82044417E-11-4.64927737E+04 1.48956870E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C10H20R2(48) C 10H 20 G 100.000 5000.000 1466.16 1 - 7.67441503E+01 2.28947774E-01-9.52763901E-05 1.74235795E-08-1.18670493E-12 2 --8.93030266E+04-3.32347701E+02-1.98836507E+01 4.92570837E-01-3.64985722E-04 3 - 1.40061853E-07-2.20983092E-11-6.09688382E+04 1.70799299E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C8H17L(49) C 8H 17 G 100.000 5000.000 1554.89 1 - 4.86451320E+01 1.28557691E-01-5.22112034E-05 9.39422141E-09-6.31961750E-13 2 --6.02890306E+04-2.08916685E+02-9.89275526E+00 2.79147767E-01-1.97484881E-04 3 - 7.16808740E-08-1.06465782E-11-4.20849931E+04 9.93338245E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C11H22L2(50) C 11H 22 G 100.000 5000.000 1471.95 1 - 7.99750319E+01 2.33281944E-01-9.66520937E-05 1.76341309E-08-1.19931512E-12 2 --9.37155757E+04-3.48912285E+02-2.06961127E+01 5.06853825E-01-3.75436947E-04 3 - 1.43899535E-07-2.26445517E-11-6.40789645E+04 1.75686167E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -CC(L)C(C)L(51) C 4H 8 G 100.000 5000.000 1510.86 1 - 6.96078518E+01 1.81816021E-01-7.45847849E-05 1.35239001E-08-9.15475584E-13 2 --6.96072914E+04-3.05120767E+02-1.62906661E+01 4.09230782E-01-3.00363448E-04 3 - 1.13148050E-07-1.74000456E-11-4.36509978E+04 1.44738996E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -CC(CR)C(C)CR(52) C 6H 12 G 100.000 5000.000 1489.22 1 - 7.11536137E+01 1.98949166E-01-8.23140692E-05 1.49993977E-08-1.01886043E-12 2 --7.57083234E+04-3.09283436E+02-1.73964228E+01 4.36793657E-01-3.21882019E-04 3 - 1.22245574E-07-1.90227436E-11-4.93344220E+04 1.53183919E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C10H20L2(53) C 10H 20 G 100.000 5000.000 1480.81 1 - 7.91833410E+01 2.24735842E-01-9.27948993E-05 1.68974356E-08-1.14766819E-12 2 --9.06527016E+04-3.46716799E+02-2.01384092E+01 4.93027362E-01-3.64564450E-04 3 - 1.39249733E-07-2.18040727E-11-6.12375042E+04 1.71445441E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C11H22LR(54) C 11H 22 G 100.000 5000.000 1471.95 1 - 7.99750319E+01 2.33281944E-01-9.66520937E-05 1.76341309E-08-1.19931512E-12 2 --9.37155757E+04-3.48912285E+02-2.06961127E+01 5.06853825E-01-3.75436947E-04 3 - 1.43899535E-07-2.26445517E-11-6.40789645E+04 1.75686167E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -RCCR(55) C 2H 4 G 100.000 5000.000 1500.22 1 - 6.31443474E+01 1.73132989E-01-7.18182364E-05 1.30981430E-08-8.89805343E-13 2 --6.07745508E+04-2.71968994E+02-1.46553688E+01 3.80569205E-01-2.79224763E-04 3 - 1.05265628E-07-1.62488543E-11-3.74312949E+04 1.34925870E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C6H11R(56) C 6H 11 G 100.000 5000.000 1573.74 1 - 4.44614767E+01 1.10024794E-01-4.45884695E-05 8.00872436E-09-5.37864887E-13 2 --3.95105343E+04-1.88882527E+02-8.23867289E+00 2.43974812E-01-1.72263205E-04 3 - 6.20946966E-08-9.12989091E-12-2.29234172E+04 8.92618993E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C5H9L(57) C 5H 9 G 100.000 5000.000 1596.45 1 - 4.37869676E+01 1.01342742E-01-4.06765588E-05 7.26290782E-09-4.85685660E-13 2 --3.65216992E+04-1.87392304E+02-7.70229806E+00 2.30345382E-01-1.61879110E-04 3 - 5.78736153E-08-8.41077781E-12-2.00808296E+04 8.51021119E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) -C3H5R(58) C 3H 5 G 100.000 5000.000 1622.86 1 - 3.96068401E+01 8.88860835E-02-3.57370036E-05 6.37739500E-09-4.25852434E-13 2 --2.83511716E+04-1.67857564E+02-6.28921156E+00 2.02012109E-01-1.40300717E-04 3 - 4.93327143E-08-7.04320343E-12-1.34548820E+04 7.57858915E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) -C3H5L(59) C 3H 5 G 100.000 5000.000 1574.43 1 - 3.87516459E+01 9.03518399E-02-3.64895985E-05 6.54424310E-09-4.39156847E-13 2 --2.80190099E+04-1.63108264E+02-6.34472480E+00 2.04923457E-01-1.45644631E-04 3 - 5.27640327E-08-7.77826746E-12-1.38187555E+04 7.49247196E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) -C4H7R(60) C 4H 7 G 100.000 5000.000 1549.92 1 - 3.94537407E+01 9.90023529E-02-4.03890107E-05 7.28801366E-09-4.91219466E-13 2 --3.10255349E+04-1.64764903E+02-6.88564493E+00 2.18594302E-01-1.56129385E-04 3 - 5.70714999E-08-8.52124630E-12-1.66610987E+04 7.91018149E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C8H15L(61) C 8H 15 G 100.000 5000.000 1556.80 1 - 4.83755521E+01 1.23055907E-01-4.98957019E-05 8.97148815E-09-6.03288118E-13 2 --4.69273810E+04-2.07007849E+02-9.60235862E+00 2.72022403E-01-1.93426767E-04 3 - 7.04354708E-08-1.04735063E-11-2.88753318E+04 9.83651109E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C7H13R(62) C 7H 13 G 100.000 5000.000 1514.69 1 - 4.41411172E+01 1.20598012E-01-4.95591836E-05 8.98803361E-09-6.08288683E-13 2 --4.18951831E+04-1.84973005E+02-8.80078909E+00 2.60409894E-01-1.88017759E-04 3 - 6.99295301E-08-1.06668910E-11-2.58573734E+04 9.24221318E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H11L(63) C 6H 11 G 100.000 5000.000 1534.14 1 - 4.34033539E+01 1.11985813E-01-4.56735399E-05 8.24618201E-09-5.56306813E-13 2 --3.88648693E+04-1.83099435E+02-8.25205344E+00 2.46667371E-01-1.77357154E-04 3 - 6.54694725E-08-9.88122830E-12-2.30154470E+04 8.82153246E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cs_S) -C10H20R(64) C 10H 20 G 100.000 5000.000 1523.52 1 - 4.86315535E+01 1.45358503E-01-6.02695778E-05 1.09681376E-08-7.43337390E-13 2 --4.31234934E+04-2.02791872E+02-1.06125216E+01 3.00903849E-01-2.13413719E-04 3 - 7.79814730E-08-1.17398088E-11-2.50715978E+04 1.07969652E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H17LR(65) C 9H 17 G 100.000 5000.000 1391.85 1 - 6.32706558E+01 2.38340487E-01-1.01906293E-04 1.89140862E-08-1.30109633E-12 2 --5.85099430E+04-2.56016962E+02-1.79729619E+01 4.71824309E-01-3.53532341E-04 3 - 1.39437628E-07-2.29491791E-11-3.58941561E+04 1.62798420E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cs_S) -C9H17LR(66) C 9H 17 G 100.000 5000.000 1460.67 1 - 7.19982941E+01 2.24242474E-01-9.42211495E-05 1.73116207E-08-1.18223052E-12 2 --6.12543366E+04-3.05078711E+02-1.87004565E+01 4.72621605E-01-3.49291611E-04 3 - 1.33730313E-07-2.11080655E-11-3.47585087E+04 1.66854421E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cs_S) -C9H17LR(67) C 9H 17 G 100.000 5000.000 1460.67 1 - 7.19982941E+01 2.24242474E-01-9.42211495E-05 1.73116207E-08-1.18223052E-12 2 --6.12543366E+04-3.05078711E+02-1.87004565E+01 4.72621605E-01-3.49291611E-04 3 - 1.33730313E-07-2.11080655E-11-3.47585087E+04 1.66854421E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Cs_S) -C9H17LR(68) C 9H 17 G 100.000 5000.000 1460.67 1 - 7.19982941E+01 2.24242474E-01-9.42211495E-05 1.73116207E-08-1.18223052E-12 2 --6.12543366E+04-3.05078711E+02-1.87004565E+01 4.72621605E-01-3.49291611E-04 3 - 1.33730313E-07-2.11080655E-11-3.47585087E+04 1.66854421E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H17LR(69) C 9H 17 G 100.000 5000.000 1391.85 1 - 6.32706558E+01 2.38340487E-01-1.01906293E-04 1.89140862E-08-1.30109633E-12 2 --5.85099430E+04-2.56016962E+02-1.79729619E+01 4.71824309E-01-3.53532341E-04 3 - 1.39437628E-07-2.29491791E-11-3.58941561E+04 1.62798420E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) -C9H17LR(70) C 9H 17 G 100.000 5000.000 1430.10 1 - 7.27036152E+01 2.21748665E-01-9.18410684E-05 1.67782644E-08-1.14345944E-12 2 --5.97403393E+04-3.08286691E+02-1.91398090E+01 4.78637158E-01-3.61287541E-04 3 - 1.42386419E-07-2.31015432E-11-3.34714644E+04 1.67660575E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) -C9H17LR(71) C 9H 17 G 100.000 5000.000 1430.10 1 - 7.27036152E+01 2.21748665E-01-9.18410684E-05 1.67782644E-08-1.14345944E-12 2 --5.97403393E+04-3.08286691E+02-1.91398090E+01 4.78637158E-01-3.61287541E-04 3 - 1.42386419E-07-2.31015432E-11-3.34714644E+04 1.67660575E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H17LR(72) C 9H 17 G 100.000 5000.000 1391.85 1 - 6.32706558E+01 2.38340487E-01-1.01906293E-04 1.89140862E-08-1.30109633E-12 2 --5.85099430E+04-2.56016962E+02-1.79729619E+01 4.71824309E-01-3.53532341E-04 3 - 1.39437628E-07-2.29491791E-11-3.58941561E+04 1.62798420E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Isobutyl) -C9H17LR(73) C 9H 17 G 100.000 5000.000 1430.10 1 - 7.27036152E+01 2.21748665E-01-9.18410684E-05 1.67782644E-08-1.14345944E-12 2 --5.97403393E+04-3.08286691E+02-1.91398090E+01 4.78637158E-01-3.61287541E-04 3 - 1.42386419E-07-2.31015432E-11-3.34714644E+04 1.67660575E+02 4 - -! Thermo library: DFT_QCI_thermo -CH3(74) C 1H 3 G 100.000 5000.000 660.46 1 - 3.22169532E+00 5.22646123E-03-1.64124874E-06 2.58224556E-10-1.62579368E-14 2 - 1.65213100E+04 3.53938346E+00 3.94800490E+00 8.27599092E-04 8.34931957E-06 3 --9.82634852E-09 3.80104045E-12 1.64253714E+04 3.36654899E-01 4 - -! Thermo library: primaryThermoLibrary -C(75) C 1H 4 G 100.000 5000.000 1084.12 1 - 9.08278561E-01 1.14540647E-02-4.57172635E-06 8.29188900E-10-5.66312625E-14 2 --9.71998006E+03 1.39930217E+01 4.20541301E+00-5.35554796E-03 2.51122401E-05 3 --2.13761779E-08 5.97519672E-12-1.01619432E+04-9.21271252E-01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Cs_S) -C10H20L(76) C 10H 20 G 100.000 5000.000 1523.52 1 - 4.86315535E+01 1.45358503E-01-6.02695778E-05 1.09681376E-08-7.43337390E-13 2 --4.31234934E+04-2.02791872E+02-1.06125216E+01 3.00903849E-01-2.13413719E-04 3 - 7.79814730E-08-1.17398088E-11-2.50715978E+04 1.07969652E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C5H8L(77) C 5H 8 G 100.000 5000.000 1601.46 1 - 4.23882656E+01 1.00590274E-01-4.02047684E-05 7.15630533E-09-4.77527232E-13 2 --2.01737155E+04-1.81426183E+02-7.42917055E+00 2.25020390E-01-1.56751717E-04 3 - 5.56732885E-08-8.05139883E-12-4.21759796E+03 8.23739357E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + radical(Allyl_P) -C3H4R(78) C 3H 4 G 100.000 5000.000 1617.17 1 - 4.26862363E+01 8.16269168E-02-3.20789189E-05 5.66174589E-09-3.75757549E-13 2 --1.11768129E+04-1.84381803E+02-6.66621560E+00 2.03694766E-01-1.45299431E-04 3 - 5.23348216E-08-7.59080173E-12 4.78588016E+03 7.74392091E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) -C4H6R(79) C 4H 6 G 100.000 5000.000 1546.08 1 - 4.08763064E+01 9.43104971E-02-3.81431717E-05 6.85603806E-09-4.61216850E-13 2 --1.47116486E+04-1.72484867E+02-7.00666109E+00 2.18193748E-01-1.58335126E-04 3 - 5.86829916E-08-8.84166482E-12 9.44115568E+01 7.93860812E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) -C[C]1CC1R(80) C 4H 6 G 100.000 5000.000 1677.66 1 - 4.32694628E+01 8.94628905E-02-3.52676167E-05 6.20879235E-09-4.10273142E-13 2 --7.32836306E+03-1.87616915E+02-6.87875301E+00 2.09030442E-01-1.42173709E-04 3 - 4.86911936E-08-6.74090305E-12 9.49789798E+03 8.02657143E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C4H7R(81) C 4H 7 G 100.000 5000.000 1542.75 1 - 3.76063799E+01 1.01870887E-01-4.19662215E-05 7.60921443E-09-5.14337475E-13 2 --3.17976825E+04-1.54872490E+02-6.63876271E+00 2.16588254E-01-1.53504519E-04 3 - 5.58080264E-08-8.32485702E-12-1.81458166E+04 7.77680482E+01 4 - -! Thermo library: primaryThermoLibrary -H(82) H 1 G 100.000 5000.000 4561.14 1 - 2.50001921E+00-1.64942466E-08 5.30954718E-12-7.59275309E-16 4.06972192E-20 2 - 2.54741999E+04-4.45095101E-01 2.50000000E+00-2.06855000E-14 2.66266370E-17 3 --1.11497399E-20 1.43541790E-24 2.54742178E+04-4.44972896E-01 4 - -! Thermo library: primaryThermoLibrary -[H][H](83) H 2 G 100.000 5000.000 1959.07 1 - 2.78817312E+00 5.87631468E-04 1.59014852E-07-5.52747927E-11 4.34317472E-15 2 --5.96148572E+02 1.12689431E-01 3.43536405E+00 2.12710960E-04-2.78626417E-07 3 - 3.40268245E-10-7.76034667E-14-1.03135984E+03-3.90841705E+00 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C5H9L(84) C 5H 9 G 100.000 5000.000 1560.08 1 - 4.15747769E+01 1.05080059E-01-4.28066831E-05 7.71413382E-09-5.19333133E-13 2 --3.61498735E+04-1.74820688E+02-7.51322850E+00 2.30941265E-01-1.63821810E-04 3 - 5.94277508E-08-8.80641131E-12-2.08337497E+04 8.38314376E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + radical(Isobutyl) -C7H15(85) C 7H 15 G 100.000 5000.000 1038.88 1 - 1.29721091E+01 4.54907462E-02-1.71882902E-05 3.06426502E-09-2.09450660E-13 2 --6.37556447E+03-3.75046223E+01 2.13908678E-01 7.18061257E-02-2.22529724E-05 3 --1.48182031E-08 9.17930038E-12-2.49394764E+03 3.04565124E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) -C3H5L(86) C 3H 5 G 100.000 5000.000 1622.86 1 - 3.96068401E+01 8.88860835E-02-3.57370036E-05 6.37739500E-09-4.25852434E-13 2 --2.83511716E+04-1.67857564E+02-6.28921156E+00 2.02012109E-01-1.40300717E-04 3 - 4.93327143E-08-7.04320343E-12-1.34548820E+04 7.57858915E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -CC(C)CC(C)C(87) C 7H 16 G 100.000 5000.000 1058.23 1 - 1.34326009E+01 4.84570962E-02-1.90871781E-05 3.49346215E-09-2.42556546E-13 2 --3.15482438E+04-4.47651915E+01 1.91163226E-01 7.01352878E-02-9.59752450E-06 3 --2.78212306E-08 1.31408798E-11-2.71570629E+04 2.73728430E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! ring(Cyclopropane) + radical(cyclopropane) -RC1[CH]C1(88) C 3H 4 G 100.000 5000.000 1151.07 1 - 3.33919151E+01 9.46269399E-02-3.87084097E-05 7.15379941E-09-4.95928376E-13 2 - 6.30083748E+03-1.31815947E+02-5.78465261E+00 1.86158798E-01-9.98571637E-05 3 - 8.90258332E-09 6.43628048E-12 1.82750317E+04 7.55368861E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) -C5H8L(89) C 5H 8 G 100.000 5000.000 1594.20 1 - 4.69357996E+01 9.39760724E-02-3.69605026E-05 6.53422234E-09-4.34548893E-13 2 --1.93804483E+04-2.04314770E+02-8.07693036E+00 2.32008430E-01-1.66836795E-04 3 - 6.08462906E-08-8.95169441E-12-1.84021061E+03 8.67461854E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C6H10R(90) C 6H 10 G 100.000 5000.000 1577.55 1 - 4.30521565E+01 1.09286748E-01-4.41236445E-05 7.90355110E-09-5.29812297E-13 2 --2.31566630E+04-1.82854022E+02-7.96494702E+00 2.38644237E-01-1.67121808E-04 3 - 5.98819811E-08-8.76699986E-12-7.06021677E+03 8.65314585E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C4H5L(91) C 4H 5 G 100.000 5000.000 1202.61 1 - 3.92568879E+01 9.24026354E-02-3.70827523E-05 6.75722158E-09-4.63497728E-13 2 --1.64497691E+04-1.62808037E+02-7.05652185E+00 2.12585949E-01-1.44752777E-04 3 - 4.30319946E-08-3.13736874E-12-2.86188191E+03 7.93519034E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + radical(Allyl_S) -C6H9L2(92) C 6H 9 G 100.000 5000.000 1509.91 1 - 7.23290017E+01 1.88932694E-01-7.80037968E-05 1.41889135E-08-9.62233073E-13 2 --4.54511146E+04-3.16204367E+02-1.70523038E+01 4.25719677E-01-3.13237868E-04 3 - 1.18051733E-07-1.81591762E-11-1.84597060E+04 1.51837883E+02 4 - -! Thermo library: DFT_QCI_thermo -C[CH]CC(93) C 4H 9 G 100.000 5000.000 1083.85 1 - 6.12705092E+00 2.82085259E-02-1.13016302E-05 2.07329731E-09-1.43449797E-13 2 - 4.72407282E+03-4.53130119E+00 2.48181165E+00 2.70987649E-02 1.03882077E-05 3 --2.36643859E-08 8.65252146E-12 6.36961909E+03 1.72943401E+01 4 - -! Thermo library: DFT_QCI_thermo -C[CH]C(94) C 3H 7 G 100.000 5000.000 1029.98 1 - 4.36587086E+00 2.14398704E-02-8.48554072E-06 1.56800604E-09-1.09812131E-13 2 - 8.03954671E+03 2.70031117E+00 3.23517657E+00 1.11017098E-02 2.80210079E-05 3 --3.59453905E-08 1.23655265E-11 9.05375594E+03 1.19813906E+01 4 - -! Thermo library: DFT_QCI_thermo -CCC(95) C 3H 8 G 100.000 5000.000 990.00 1 - 5.60447662E+00 2.19527487E-02-8.22073118E-06 1.50102222E-09-1.05633888E-13 2 --1.58394358E+04-6.22666189E+00 3.06334227E+00 1.29216894E-02 3.47024469E-05 3 --4.70935143E-08 1.71379380E-11-1.43905780E+04 1.07836285E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_S) -C5H8L(96) C 5H 8 G 100.000 5000.000 1633.63 1 - 4.55080988E+01 9.64889711E-02-3.85348271E-05 6.84821621E-09-4.55954447E-13 2 --1.93909644E+04-1.97870777E+02-7.68519665E+00 2.26734045E-01-1.58125411E-04 3 - 5.56516237E-08-7.92447488E-12-2.01125653E+03 8.48638654E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C7H11LR(97) C 7H 11 G 100.000 5000.000 1499.26 1 - 7.30957065E+01 1.97507231E-01-8.18720734E-05 1.49273655E-08-1.01397460E-12 2 --4.84980580E+04-3.18249121E+02-1.76043759E+01 4.39493522E-01-3.23977827E-04 3 - 1.22583044E-07-1.89654455E-11-2.13014596E+04 1.56057300E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C6H11R(98) C 6H 11 G 100.000 5000.000 1538.01 1 - 4.22750830E+01 1.13740300E-01-4.67141669E-05 8.46020096E-09-5.71608942E-13 2 --3.91583501E+04-1.76472169E+02-8.05769744E+00 2.44644059E-01-1.74382911E-04 3 - 6.37996120E-08-9.56691094E-12-2.36758992E+04 8.80220864E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C6H9LR(99) C 6H 9 G 100.000 5000.000 1406.10 1 - 5.84314024E+01 2.11113350E-01-9.04274332E-05 1.67930805E-08-1.15517132E-12 2 --3.36486804E+04-2.33753235E+02-1.57128536E+01 4.22037250E-01-3.15439258E-04 3 - 1.23477838E-07-2.01235702E-11-1.27980487E+04 1.49219012E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + radical(Allyl_S) -C7H9LR(100) C 7H 9 G 100.000 5000.000 1505.57 1 - 7.31595925E+01 1.91621995E-01-7.94601354E-05 1.44890057E-08-9.84095914E-13 2 --3.38353104E+04-3.17488975E+02-1.73064689E+01 4.31966551E-01-3.18909761E-04 3 - 1.20514795E-07-1.85892625E-11-6.59405836E+03 1.55975790E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + radical(RCCJCC) -CC(L)C[CH]L(101) C 4H 7 G 100.000 5000.000 1445.46 1 - 5.82323205E+01 1.97288637E-01-8.35006602E-05 1.53963176E-08-1.05374327E-12 2 --4.11999866E+04-2.37279273E+02-1.49372844E+01 3.99767772E-01-2.93617621E-04 3 - 1.12304272E-07-1.78143220E-11-2.00470275E+04 1.42680210E+02 4 - -! Thermo library: DFT_QCI_thermo -C3H5(102) C 3H 5 G 100.000 5000.000 942.19 1 - 8.06879734E+00 1.01833680E-02-2.84777615E-06 5.00839348E-10-3.79594393E-14 2 - 1.69146147E+04-1.95280963E+01 3.29609384E+00 5.79287479E-03 4.33896783E-05 3 --5.99857602E-08 2.33800081E-11 1.89082169E+04 9.02012687E+00 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) -C6H10L(103) C 6H 10 G 100.000 5000.000 1532.13 1 - 4.52170097E+01 1.06543786E-01-4.29724403E-05 7.71847092E-09-5.19310898E-13 2 --2.29690207E+04-1.92959095E+02-8.42686039E+00 2.46594475E-01-1.80086396E-04 3 - 6.73801617E-08-1.02544177E-11-6.53117340E+03 8.87291093E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C5H7L(104) C 5H 7 G 100.000 5000.000 1521.94 1 - 4.48175384E+01 9.39010236E-02-3.72171843E-05 6.63649644E-09-4.45042096E-13 2 --2.34033008E+04-1.93495439E+02-7.91047958E+00 2.32481973E-01-1.73800259E-04 3 - 6.64649423E-08-1.02726953E-11-7.35351105E+03 8.30318350E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H9R(105) C 6H 9 G 100.000 5000.000 1590.42 1 - 4.60365286E+01 1.01961297E-01-4.10324940E-05 7.34167468E-09-4.91711153E-13 2 --2.36938595E+04-1.96208293E+02-8.14538326E+00 2.38231885E-01-1.69555597E-04 3 - 6.12154929E-08-8.96019333E-12-6.45944603E+03 9.03284623E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C7H11L2(106) C 7H 11 G 100.000 5000.000 1474.00 1 - 7.07714902E+01 2.01350075E-01-8.39753265E-05 1.53710386E-08-1.04725580E-12 2 --4.91562442E+04-3.05846186E+02-1.74521315E+01 4.40763701E-01-3.27612814E-04 3 - 1.25564758E-07-1.97368918E-11-2.31480088E+04 1.54010473E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C6H11L(107) C 6H 11 G 100.000 5000.000 1527.76 1 - 4.19190520E+01 1.14150632E-01-4.68217907E-05 8.47777542E-09-5.72934512E-13 2 --4.00429130E+04-1.75188194E+02-8.06129866E+00 2.45009393E-01-1.75302398E-04 3 - 6.45425185E-08-9.74724344E-12-2.47712695E+04 8.71200648E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) -C7H12R(108) C 7H 12 G 100.000 5000.000 1513.85 1 - 4.59853455E+01 1.15107211E-01-4.68311918E-05 8.45417368E-09-5.70795050E-13 2 --2.60133365E+04-1.95006946E+02-8.97408625E+00 2.60324138E-01-1.90718842E-04 3 - 7.18188585E-08-1.10349053E-11-9.37318742E+03 9.29300752E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopropane) -! + radical(Tertalkyl) -C7H12R(109) C 7H 12 G 100.000 5000.000 1621.91 1 - 4.76000719E+01 1.11495896E-01-4.46275323E-05 7.94370489E-09-5.29655936E-13 2 --1.79807363E+04-2.05694056E+02-8.75303325E+00 2.50473773E-01-1.73157608E-04 3 - 6.07737928E-08-8.67274476E-12 2.99424706E+02 9.34304178E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) -C6H10(110) C 6H 10 G 100.000 5000.000 1023.19 1 - 1.24480301E+01 2.94414962E-02-1.12019207E-05 2.03342668E-09-1.41510457E-13 2 --8.35565333E+02-3.93998064E+01 1.14011395E+00 5.31090461E-02-1.57885048E-05 3 --1.45965712E-08 8.71519560E-12 2.55359686E+03 2.06674104E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H9R(111) C 6H 9 G 100.000 5000.000 1584.59 1 - 4.74581296E+01 9.96063557E-02-3.96166839E-05 7.04981702E-09-4.70839326E-13 2 --2.37711356E+04-2.06728399E+02-8.39552643E+00 2.40598401E-01-1.73082142E-04 3 - 6.32012227E-08-9.32981795E-12-6.07010347E+03 8.84440887E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C8H14L(112) C 8H 14 G 100.000 5000.000 1559.63 1 - 4.69575930E+01 1.22330194E-01-4.94371073E-05 8.86764449E-09-5.95337405E-13 2 --3.05689692E+04-2.00929035E+02-9.32838229E+00 2.66689366E-01-1.88278779E-04 3 - 6.82165572E-08-1.01087639E-11-1.30121435E+04 9.56337353E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) -C6H9(113) C 6H 9 G 100.000 5000.000 965.66 1 - 1.28508180E+01 2.59267182E-02-8.99835414E-06 1.59787198E-09-1.12287613E-13 2 - 1.29996083E+04-4.04076437E+01 1.45430192E+00 4.38196386E-02 8.74269289E-06 3 --4.20860694E-08 1.93355023E-11 1.65674203E+04 2.12526341E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) -! + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C6H9(114) C 6H 9 G 100.000 5000.000 974.14 1 - 1.16266301E+01 2.76565377E-02-1.01259880E-05 1.93056321E-09-1.43342141E-13 2 - 9.24692046E+03-3.99968031E+01 2.32236037E+00 1.78606161E-02 7.88707001E-05 3 --1.09558747E-07 4.14503650E-11 1.33371803E+04 1.63370754E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + ring(Cyclopentene) + ring(Cyclopentene) -C12H18(115) C 12H 18 G 100.000 5000.000 982.68 1 - 2.58537483E+01 5.42751926E-02-2.04232601E-05 3.93295701E-09-2.92474477E-13 2 --8.88934905E+03-1.14148907E+02-9.06266139E-01 7.00284850E-02 9.77540966E-05 3 --1.72727837E-07 6.91981927E-11 8.68634248E+02 3.73750203E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) -! + group(Cds-CdsCsH) + ring(Cyclopentene) -C6H10(116) C 6H 10 G 100.000 5000.000 978.05 1 - 1.15904641E+01 3.01308647E-02-1.11359205E-05 2.10398666E-09-1.54285955E-13 2 --6.00680629E+03-3.84890689E+01 2.11758117E+00 2.31619608E-02 6.96574775E-05 3 --1.00753225E-07 3.83518295E-11-1.96752133E+03 1.81787044E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + ring(Cyclopentene) + ring(Cyclopentene) -C12H18(117) C 12H 18 G 100.000 5000.000 984.99 1 - 2.34227201E+01 5.70666034E-02-2.14134270E-05 4.04326449E-09-2.95019522E-13 2 --8.63092160E+03-9.97441357E+01-9.10744148E-01 7.46988053E-02 7.53684487E-05 3 --1.45139453E-07 5.88073709E-11 1.01018910E+02 3.72743169E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) -C6H8(118) C 6H 8 G 100.000 5000.000 962.95 1 - 1.33073959E+01 2.19368852E-02-7.42913585E-06 1.40172877E-09-1.05669590E-13 2 - 5.79963923E+03-4.79626161E+01 2.15945066E+00 2.20893500E-02 6.42297363E-05 3 --9.79840758E-08 3.86193478E-11 1.00865330E+04 1.65101316E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C10H14L(119) C 10H 14 G 100.000 5000.000 1495.48 1 - 5.23728251E+01 1.22393618E-01-4.96909462E-05 8.97610017E-09-6.06868933E-13 2 --9.56069375E+03-2.25478260E+02-1.05880117E+01 2.90797539E-01-2.18604763E-04 3 - 8.42762141E-08-1.31948870E-11 9.27053982E+03 1.03609459E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C7H13R(120) C 7H 13 G 100.000 5000.000 1507.76 1 - 4.26488805E+01 1.22778875E-01-5.07176307E-05 9.22218519E-09-6.25137273E-13 2 --4.30709374E+04-1.77019000E+02-8.61227604E+00 2.58772114E-01-1.86011308E-04 3 - 6.90433914E-08-1.05440507E-11-2.76130738E+04 9.13354312E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C10H14L(121) C 10H 14 G 100.000 5000.000 1495.48 1 - 5.23728251E+01 1.22393618E-01-4.96909462E-05 8.97610017E-09-6.06868933E-13 2 --9.38456711E+03-2.25634258E+02-1.05880117E+01 2.90797539E-01-2.18604763E-04 3 - 8.42762141E-08-1.31948870E-11 9.44666646E+03 1.03453461E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H14L(122) C 9H 14 G 100.000 5000.000 1346.86 1 - 3.81588751E+01 1.41159135E-01-6.02969218E-05 1.12042373E-08-7.72211401E-13 2 --9.64571507E+03-1.44742023E+02-9.04223204E+00 2.81341094E-01-2.16418642E-04 3 - 8.84815507E-08-1.51162673E-11 3.06887128E+03 9.70311285E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_T) -C6H7(123) C 6H 7 G 100.000 5000.000 963.17 1 - 1.11737556E+01 2.27046249E-02-7.83542343E-06 1.44541622E-09-1.05964395E-13 2 - 2.31333127E+04-3.92489141E+01 2.34714354E+00 2.10575107E-02 5.43826228E-05 3 --8.29089667E-08 3.25062219E-11 2.66103109E+04 1.22263534E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) -C5H9LR(124) C 5H 9 G 100.000 5000.000 1434.27 1 - 5.90142172E+01 2.05865834E-01-8.73812972E-05 1.61394478E-08-1.10597737E-12 2 --4.42643583E+04-2.39430112E+02-1.55052599E+01 4.13689401E-01-3.04727000E-04 3 - 1.17163504E-07-1.87147796E-11-2.28879474E+04 1.46959886E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) -C6H8(125) C 6H 8 G 100.000 5000.000 962.95 1 - 1.33074613E+01 2.19367727E-02-7.42907043E-06 1.40171323E-09-1.05668295E-13 2 - 5.97573878E+03-4.81189815E+01 2.15943197E+00 2.20895778E-02 6.42289069E-05 3 --9.79829573E-08 3.86188530E-11 1.02626604E+04 1.63542003E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C7H11(126) C 7H 11 G 100.000 5000.000 974.77 1 - 1.40205617E+01 3.31707499E-02-1.20972427E-05 2.28317690E-09-1.68048100E-13 2 - 4.58684111E+03-5.23716732E+01 1.64178432E+00 3.04027633E-02 7.45883732E-05 3 --1.13375755E-07 4.39529550E-11 9.54494466E+03 2.00858024E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + radical(C=CC=CCJ) -C7H11(127) C 7H 11 G 100.000 5000.000 1011.64 1 - 1.32525188E+01 3.50663898E-02-1.32012045E-05 2.37832209E-09-1.64861385E-13 2 - 8.65365784E+03-4.12150901E+01 7.55848417E-01 5.99969458E-02-1.38676893E-05 3 --2.11034909E-08 1.15495134E-11 1.24347903E+04 2.54102146E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C8H13LR(128) C 8H 13 G 100.000 5000.000 1464.21 1 - 7.15635782E+01 2.09898576E-01-8.78350706E-05 1.61085255E-08-1.09897962E-12 2 --5.22204810E+04-3.08046133E+02-1.80116946E+01 4.54607381E-01-3.38528137E-04 3 - 1.30252379E-07-2.05881793E-11-2.59893710E+04 1.58258253E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C8H11LR(129) C 8H 11 G 100.000 5000.000 1497.66 1 - 7.42153730E+01 1.98672110E-01-8.18545556E-05 1.48800742E-08-1.00916500E-12 2 --3.90935997E+04-3.22225410E+02-1.79483170E+01 4.44821159E-01-3.28383399E-04 3 - 1.24617507E-07-1.93269569E-11-1.14870880E+04 1.59638185E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C7H10L(130) C 7H 10 G 100.000 5000.000 1593.18 1 - 4.79689964E+01 1.06330697E-01-4.29667230E-05 7.70068016E-09-5.16162636E-13 2 --1.03710937E+04-2.06252691E+02-8.65531391E+00 2.48497273E-01-1.76818257E-04 3 - 6.37108230E-08-9.30519932E-12 7.67147359E+03 9.32987024E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C6H10L(131) C 6H 10 G 100.000 5000.000 1612.05 1 - 4.63421917E+01 1.03840182E-01-4.10745917E-05 7.26908079E-09-4.83227622E-13 2 --2.45264616E+04-2.01304868E+02-8.31284910E+00 2.39455597E-01-1.67262911E-04 3 - 5.94542070E-08-8.57615397E-12-6.90502235E+03 8.84725896E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H14L(132) C 9H 14 G 100.000 5000.000 1346.86 1 - 3.81588751E+01 1.41159135E-01-6.02969218E-05 1.12042373E-08-7.72211401E-13 2 --9.46958843E+03-1.44898021E+02-9.04223204E+00 2.81341094E-01-2.16418642E-04 3 - 8.84815507E-08-1.51162673E-11 3.24499792E+03 9.68751306E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H8R2(133) C 6H 8 G 100.000 5000.000 1501.37 1 - 7.28197778E+01 1.84640162E-01-7.59742187E-05 1.38080927E-08-9.36402016E-13 2 --4.73198683E+04-3.21266057E+02-1.70458284E+01 4.24064448E-01-3.15181371E-04 3 - 1.20025967E-07-1.86233262E-11-2.03357146E+04 1.48802450E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C8H11LR(134) C 8H 11 G 100.000 5000.000 1470.25 1 - 7.16120478E+01 2.04029187E-01-8.54283445E-05 1.56707602E-08-1.06911245E-12 2 --3.75472464E+04-3.07191758E+02-1.77092258E+01 4.47037851E-01-3.33353090E-04 3 - 1.28088662E-07-2.01844664E-11-1.12822079E+04 1.58159474E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C11H16L(135) C 11H 16 G 100.000 5000.000 1485.10 1 - 5.34727415E+01 1.29375538E-01-5.20486529E-05 9.35892331E-09-6.31279682E-13 2 --1.48400746E+04-2.30467907E+02-1.12291342E+01 3.03646897E-01-2.28070443E-04 3 - 8.83766131E-08-1.39331740E-11 4.37746173E+03 1.07268953E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C11H16L(136) C 11H 16 G 100.000 5000.000 1485.10 1 - 5.34727415E+01 1.29375538E-01-5.20486529E-05 9.35892331E-09-6.31279682E-13 2 --1.46639480E+04-2.30623905E+02-1.12291342E+01 3.03646897E-01-2.28070443E-04 3 - 8.83766131E-08-1.39331740E-11 4.55358837E+03 1.07112955E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C10H16R(137) C 10H 16 G 100.000 5000.000 1334.86 1 - 3.90329339E+01 1.49615226E-01-6.41215731E-05 1.19364359E-08-8.23677255E-13 2 --1.27620533E+04-1.47436821E+02-9.62725878E+00 2.95429574E-01-2.27975918E-04 3 - 9.37703163E-08-1.61500575E-11 2.28790976E+02 1.01374587E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) -C5H9LR(138) C 5H 9 G 100.000 5000.000 1434.27 1 - 5.90142172E+01 2.05865834E-01-8.73812972E-05 1.61394478E-08-1.10597737E-12 2 --4.42643583E+04-2.39430112E+02-1.55052599E+01 4.13689401E-01-3.04727000E-04 3 - 1.17163504E-07-1.87147796E-11-2.28879474E+04 1.46959886E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + radical(Tertalkyl) -C6H10L(139) C 6H 10 G 100.000 5000.000 1426.13 1 - 3.26722211E+01 1.26527801E-01-5.42423493E-05 1.00616145E-08-6.91006323E-13 2 --9.84472139E+03-1.19129285E+02-6.97114774E+00 2.37717304E-01-1.71189136E-04 3 - 6.47292488E-08-1.02740515E-11 1.46279701E+03 8.61997392E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C10H16R(140) C 10H 16 G 100.000 5000.000 1334.82 1 - 3.90325964E+01 1.49615802E-01-6.41219064E-05 1.19365148E-08-8.23683819E-13 2 --1.25857860E+04-1.47590922E+02-9.62729428E+00 2.95429897E-01-2.27976701E-04 3 - 9.37709861E-08-1.61502433E-11 4.04919502E+02 1.01218725E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C8H12L(141) C 8H 12 G 100.000 5000.000 1575.52 1 - 4.88850867E+01 1.13571731E-01-4.54537772E-05 8.11081958E-09-5.42647441E-13 2 --1.55525917E+04-2.10169439E+02-9.28774775E+00 2.61263026E-01-1.86065277E-04 3 - 6.76090794E-08-9.98366826E-12 2.77796007E+03 9.69255665E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C9H13LR(142) C 9H 13 G 100.000 5000.000 1463.47 1 - 7.27144077E+01 2.11014178E-01-8.77905578E-05 1.60550908E-08-1.09367449E-12 2 --4.28304712E+04-3.12200388E+02-1.83545186E+01 4.59925774E-01-3.42914554E-04 3 - 1.32273512E-07-2.09468463E-11-1.61750658E+04 1.61834790E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C7H11LR(143) C 7H 11 G 100.000 5000.000 1366.60 1 - 5.71234057E+01 2.23272346E-01-9.63136794E-05 1.79655011E-08-1.24001440E-12 2 --3.75217448E+04-2.24918181E+02-1.61970597E+01 4.37881904E-01-3.31875106E-04 3 - 1.32880515E-07-2.22623342E-11-1.74820385E+04 1.51709671E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds- -! Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + -! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cs_S) -C6H9LR(144) C 6H 9 G 100.000 5000.000 1639.17 1 - 8.68758316E+01 1.67384393E-01-6.67853618E-05 1.18689475E-08-7.90100066E-13 2 --4.43597602E+04-4.03211396E+02-1.81844923E+01 4.23758366E-01-3.01392056E-04 3 - 1.07285638E-07-1.53426656E-11-9.91735083E+03 1.55563891E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) -C6H9L2(145) C 6H 9 G 100.000 5000.000 1494.75 1 - 7.42651992E+01 1.85696898E-01-7.60656698E-05 1.37975249E-08-9.34912962E-13 2 --4.53065748E+04-3.30241912E+02-1.74614688E+01 4.31163492E-01-3.22397447E-04 3 - 1.23664196E-07-1.93105651E-11-1.78852251E+04 1.49155466E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C7H11R2(146) C 7H 11 G 100.000 5000.000 1396.30 1 - 5.92438387E+01 2.19654288E-01-9.42932172E-05 1.75336995E-08-1.20725710E-12 2 --3.67317819E+04-2.36087130E+02-1.62884779E+01 4.36032317E-01-3.26740666E-04 3 - 1.28516043E-07-2.10780073E-11-1.56385836E+04 1.53527434E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + radical(Allyl_P) -C3H4L(147) C 3H 4 G 100.000 5000.000 1574.27 1 - 4.19518086E+01 8.29041870E-02-3.27292620E-05 5.80549667E-09-3.87209650E-13 2 --1.09016187E+04-1.81017153E+02-6.71700861E+00 2.06566688E-01-1.50559438E-04 3 - 5.57045735E-08-8.31148872E-12 4.42172509E+03 7.58665365E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) -C7H9LR(148) C 7H 9 G 100.000 5000.000 1231.33 1 - 7.18406956E+01 1.90679269E-01-7.75570670E-05 1.41826528E-08-9.72489773E-13 2 --3.42030523E+04-3.12431650E+02-1.75415672E+01 4.12909522E-01-2.65281881E-04 3 - 7.08857194E-08-3.36185704E-12-7.02638292E+03 1.58358714E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! ring(Cyclopropane) + radical(Tertalkyl) -L[C]1CC1(149) C 3H 4 G 100.000 5000.000 1685.03 1 - 4.01559263E+01 8.49301161E-02-3.37777931E-05 5.97136371E-09-3.95439256E-13 2 --2.15998264E+03-1.71713050E+02-6.05209622E+00 1.94620858E-01-1.31423653E-04 3 - 4.46040738E-08-6.12719644E-12 1.34123897E+04 7.53245007E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + -! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_5_5_ane) + -! radical(2-norbornyl) -C7H9LR(150) C 7H 9 G 100.000 5000.000 1210.88 1 - 6.87933891E+01 1.97123553E-01-8.14140762E-05 1.50252134E-08-1.03644816E-12 2 --3.32171015E+04-3.05464744E+02-1.69802717E+01 4.00599868E-01-2.34536886E-04 3 - 4.48574793E-08 4.05069644E-12-6.58965220E+03 1.48933385E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(Cyclohexene) + radical(Cs_S) -C7H9LR(151) C 7H 9 G 100.000 5000.000 1649.95 1 - 8.69707212E+01 1.70295215E-01-6.75455990E-05 1.19555254E-08-7.93532660E-13 2 --4.44419389E+04-4.03487615E+02-1.83133668E+01 4.25536131E-01-2.99588944E-04 3 - 1.05712896E-07-1.49995713E-11-9.69911045E+03 1.57168130E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + radical(Allyl_S) -C7H9L2(152) C 7H 9 G 100.000 5000.000 1485.40 1 - 7.26899076E+01 1.92566257E-01-7.99621565E-05 1.46047290E-08-9.93636006E-13 2 --3.37172865E+04-3.15005791E+02-1.73900850E+01 4.35142056E-01-3.24923675E-04 3 - 1.24547263E-07-1.94976048E-11-6.95647987E+03 1.55220792E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C7H12R(153) C 7H 12 G 100.000 5000.000 1406.20 1 - 3.34299144E+01 1.35154598E-01-5.81548588E-05 1.08128113E-08-7.43941748E-13 2 --1.29021953E+04-1.21150066E+02-7.54745328E+00 2.51716243E-01-1.82491334E-04 3 - 6.97594321E-08-1.12236826E-11-1.37768627E+03 9.05109847E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_4_6_ane) + -! radical(bicyclo[3.1.1]heptane-C2) -C7H9LR(154) C 7H 9 G 100.000 5000.000 1255.40 1 - 7.07846220E+01 1.94277815E-01-7.99183991E-05 1.46613840E-08-1.00532462E-12 2 --2.98530904E+04-3.15892529E+02-1.72197799E+01 4.06008097E-01-2.50848725E-04 3 - 6.18583276E-08-1.72677567E-12-2.34549686E+03 1.50247582E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Tertalkyl) -CC[C](C)L(155) C 4H 8 G 100.000 5000.000 1457.31 1 - 2.99081782E+01 1.17037819E-01-4.99520207E-05 9.23274549E-09-6.32174453E-13 2 --1.86730883E+04-1.08922880E+02-5.94694362E+00 2.15453287E-01-1.51251402E-04 3 - 5.55739915E-08-8.58204187E-12-8.22278178E+03 7.75597786E+01 4 - -! Thermo library: DFT_QCI_thermo -C4H7(156) C 4H 7 G 100.000 5000.000 959.24 1 - 9.15900791E+00 1.76137069E-02-5.93412855E-06 1.07300071E-09-7.76276457E-14 2 - 1.24900957E+04-2.37825759E+01 2.71573512E+00 1.74370364E-02 3.66329505E-05 3 --5.79025427E-08 2.29528333E-11 1.49704918E+04 1.35200268E+01 4 - -! Thermo library: DFT_QCI_thermo -C4H8(157) C 4H 8 G 100.000 5000.000 1061.32 1 - 6.48662707E+00 2.49945576E-02-9.83292552E-06 1.79345487E-09-1.24010033E-13 2 --5.62447990E+03-1.00310762E+01 2.52506663E+00 2.64750580E-02 7.08434400E-06 3 --2.07740871E-08 8.00468445E-12-4.02607212E+03 1.28856593E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + ring(Cyclopropane) + -! radical(Tertalkyl) -C[C]1CC1(158) C 4H 7 G 100.000 5000.000 1002.20 1 - 5.32395695E+00 2.34978834E-02-9.10174422E-06 1.68911624E-09-1.19703327E-13 2 - 2.19497318E+04-2.76294733E+00 3.11404018E+00 1.12054114E-02 4.08960921E-05 3 --5.25897787E-08 1.86637438E-11 2.34529734E+04 1.31932739E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJC) -C9H15(159) C 9H 15 G 100.000 5000.000 1040.92 1 - 1.37582247E+01 5.26150125E-02-2.09344106E-05 3.87939848E-09-2.72309480E-13 2 - 7.09348987E+03-4.21227684E+01 1.80278965E-01 6.73693055E-02 1.17306473E-05 3 --5.15786450E-08 2.13420223E-11 1.19476047E+04 3.36659908E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) -! + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C6H9(160) C 6H 9 G 100.000 5000.000 974.14 1 - 1.16266301E+01 2.76565377E-02-1.01259880E-05 1.93056321E-09-1.43342141E-13 2 - 9.24692046E+03-4.06899503E+01 2.32236037E+00 1.78606161E-02 7.88707001E-05 3 --1.09558747E-07 4.14503650E-11 1.33371803E+04 1.56439283E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) -C6H9(161) C 6H 9 G 100.000 5000.000 965.68 1 - 1.28510967E+01 2.59262393E-02-8.99807593E-06 1.59780591E-09-1.12282111E-13 2 - 1.31756193E+04-4.12583548E+01 1.45422324E+00 4.38205961E-02 8.73921362E-06 3 --4.20813869E-08 1.93334356E-11 1.67435503E+04 2.04037692E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C8H11L2(162) C 8H 11 G 100.000 5000.000 1478.21 1 - 7.37799475E+01 1.99566953E-01-8.23314320E-05 1.49904033E-08-1.01829018E-12 2 --3.89933269E+04-3.19941328E+02-1.80334698E+01 4.48011909E-01-3.34438768E-04 3 - 1.28689827E-07-2.02475387E-11-1.18494356E+04 1.58888912E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) -C6H10(163) C 6H 10 G 100.000 5000.000 1029.51 1 - 1.11942090E+01 3.14218941E-02-1.24028523E-05 2.30466309E-09-1.62630970E-13 2 - 4.43828914E+03-3.01755166E+01 1.48891665E+00 4.41328285E-02 5.49889700E-06 3 --3.28729863E-08 1.41070320E-11 7.76134868E+03 2.33629305E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C8H12L(164) C 8H 12 G 100.000 5000.000 1531.10 1 - 4.61267961E+01 1.19097479E-01-4.90892540E-05 8.91035115E-09-6.02990470E-13 2 --1.39040554E+04-1.94195117E+02-9.01284110E+00 2.63148592E-01-1.90213163E-04 3 - 7.03575459E-08-1.06360824E-11 2.98094898E+03 9.53109683E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H8R2(165) C 6H 8 G 100.000 5000.000 1502.08 1 - 7.12740132E+01 1.87187010E-01-7.74933957E-05 1.41231769E-08-9.59129156E-13 2 --4.71832447E+04-3.07718612E+02-1.67989488E+01 4.21724249E-01-3.11707089E-04 3 - 1.18074552E-07-1.82604580E-11-2.07248566E+04 1.53014613E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H14L(166) C 9H 14 G 100.000 5000.000 1346.86 1 - 3.81588751E+01 1.41159135E-01-6.02969218E-05 1.12042373E-08-7.72211401E-13 2 --9.46958843E+03-1.44898021E+02-9.04223204E+00 2.81341094E-01-2.16418642E-04 3 - 8.84815507E-08-1.51162673E-11 3.24499792E+03 9.68751306E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C10H14L(167) C 10H 14 G 100.000 5000.000 1495.48 1 - 5.23728251E+01 1.22393618E-01-4.96909462E-05 8.97610017E-09-6.06868933E-13 2 --9.38456711E+03-2.25634258E+02-1.05880117E+01 2.90797539E-01-2.18604763E-04 3 - 8.42762141E-08-1.31948870E-11 9.44666646E+03 1.03453461E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C11H16L(168) C 11H 16 G 100.000 5000.000 1485.10 1 - 5.34727415E+01 1.29375538E-01-5.20486529E-05 9.35892331E-09-6.31279682E-13 2 --1.46639480E+04-2.30623905E+02-1.12291342E+01 3.03646897E-01-2.28070443E-04 3 - 8.83766131E-08-1.39331740E-11 4.55358837E+03 1.07112955E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C6H10L(169) C 6H 10 G 100.000 5000.000 1529.80 1 - 4.04911446E+01 1.13439112E-01-4.63703563E-05 8.37545777E-09-5.65100569E-13 2 --2.36792728E+04-1.69051442E+02-7.78696588E+00 2.39672865E-01-1.70145087E-04 3 - 6.23148402E-08-9.37987528E-12-8.90809851E+03 8.43873572E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C6H9L2(170) C 6H 9 G 100.000 5000.000 1384.90 1 - 5.81897623E+01 2.11762078E-01-9.07943772E-05 1.68826818E-08-1.16289105E-12 2 --3.36614265E+04-2.32619321E+02-1.58327151E+01 4.25560444E-01-3.22361241E-04 3 - 1.28354717E-07-2.12856124E-11-1.31586424E+04 1.48600268E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) -C6H10R(171) C 6H 10 G 100.000 5000.000 1573.62 1 - 4.76628260E+01 1.02575251E-01-4.08270920E-05 7.26974016E-09-4.85898462E-13 2 --2.23936871E+04-2.06105035E+02-8.61089455E+00 2.45617513E-01-1.77176852E-04 3 - 6.50343534E-08-9.66289627E-12-4.68294027E+03 9.08966228E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + -! group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs- -! CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds- -! Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclobutane) + radical(Cs_S) -C7H11LR(172) C 7H 11 G 100.000 5000.000 1646.35 1 - 9.30363898E+01 1.68591445E-01-6.71528082E-05 1.19222893E-08-7.92916565E-13 2 --5.11707860E+04-4.38129888E+02-1.93002260E+01 4.41526810E-01-3.15826337E-04 3 - 1.12619348E-07-1.60838951E-11-1.41817641E+04 1.59835801E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) -C5H8(173) C 5H 8 G 100.000 5000.000 972.32 1 - 1.12869585E+01 2.12415356E-02-7.50356283E-06 1.36179013E-09-9.72223411E-14 2 - 3.98422876E+03-3.40141560E+01 2.00726044E+00 3.28460799E-02 1.55848957E-05 3 --4.25736996E-08 1.84255692E-11 7.04482003E+03 1.69534228E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + radical(C=CC=CCJ) -C5H7(174) C 5H 7 G 100.000 5000.000 942.06 1 - 1.19107369E+01 1.73602909E-02-5.09246041E-06 8.77863236E-10-6.40277816E-14 2 - 1.78996358E+04-3.71210253E+01 2.29865578E+00 2.38040922E-02 3.93719563E-05 3 --6.93151290E-08 2.88406859E-11 2.12357622E+04 1.67724689E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -! + radical(Allyl_S) -C9H12L(175) C 9H 12 G 100.000 5000.000 1545.38 1 - 5.38832749E+01 1.10095545E-01-4.38028868E-05 7.81603886E-09-5.23813983E-13 2 --5.85150672E+03-2.35600362E+02-1.02156849E+01 2.76003541E-01-2.04835901E-04 3 - 7.72832730E-08-1.17614862E-11 1.39603251E+04 1.01541645E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C8H12L(176) C 8H 12 G 100.000 5000.000 1405.78 1 - 3.93426893E+01 1.29195310E-01-5.45170272E-05 1.00559132E-08-6.89304960E-13 2 --5.71470167E+03-1.52867099E+02-8.55842178E+00 2.65493527E-01-1.99951056E-04 3 - 7.90257778E-08-1.29547689E-11 7.75292237E+03 9.45426066E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H14R(177) C 9H 14 G 100.000 5000.000 1391.21 1 - 4.01789833E+01 1.37697249E-01-5.83609214E-05 1.07914600E-08-7.40975973E-13 2 --8.80837504E+03-1.55336318E+02-9.13267484E+00 2.79476736E-01-2.11226062E-04 3 - 8.40437158E-08-1.39042770E-11 4.91231015E+03 9.88457471E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! ring(Cyclopentene) + radical(cyclopentene-allyl) -C5H7(178) C 5H 7 G 100.000 5000.000 958.30 1 - 1.06732302E+01 1.91104672E-02-6.23089372E-06 1.21294384E-09-9.52704457E-14 2 - 1.41532644E+04-3.66338422E+01 3.16106503E+00-2.07890212E-03 1.09184979E-04 3 --1.36298100E-07 5.07057388E-11 1.80057603E+04 1.18765966E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene) -C10H14(179) C 10H 14 G 100.000 5000.000 972.12 1 - 2.20868855E+01 3.98902881E-02-1.41372886E-05 2.64619696E-09-1.94952149E-13 2 - 7.35957837E+03-8.86137827E+01-1.59646304E-01 6.38821858E-02 5.30682558E-05 3 --1.14919047E-07 4.84209597E-11 1.48764526E+04 3.44995922E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! ring(Cyclopentene) -C5H8(180) C 5H 8 G 100.000 5000.000 960.77 1 - 1.06215433E+01 2.16107521E-02-7.25561897E-06 1.38983131E-09-1.06499697E-13 2 --1.09380084E+03-3.50384683E+01 2.95818807E+00 3.20109787E-03 1.00039791E-04 3 --1.27568149E-07 4.76324834E-11 2.70097652E+03 1.37113449E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_T) -C11H17(181) C 11H 17 G 100.000 5000.000 1074.31 1 - 2.04738219E+01 5.58913309E-02-2.18913713E-05 3.98483210E-09-2.75549478E-13 2 - 1.24695255E+04-7.41964773E+01-1.69371394E+00 1.08333563E-01-5.30938552E-05 3 --2.72802028E-09 7.35462461E-12 1.89691467E+04 4.24207115E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) -! + group(Cds-CdsHH) + radical(Allyl_T) -C10H14L(182) C 10H 14 G 100.000 5000.000 1532.83 1 - 5.49223871E+01 1.17159067E-01-4.61994520E-05 8.20671745E-09-5.48797917E-13 2 --1.10969149E+04-2.40232162E+02-1.08510352E+01 2.88798516E-01-2.14163003E-04 3 - 8.12584412E-08-1.24633345E-11 9.06694894E+03 1.05179340E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_S) -C10H15(183) C 10H 15 G 100.000 5000.000 1079.64 1 - 1.93359625E+01 4.89443854E-02-1.95427490E-05 3.60236890E-09-2.51062956E-13 2 - 1.77761363E+04-6.89724375E+01-1.07445511E+00 9.57406104E-02-4.45140052E-05 3 --5.70544316E-09 7.63002290E-12 2.38631730E+04 3.88397078E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C10H14(184) C 10H 14 G 100.000 5000.000 991.15 1 - 2.28371427E+01 3.95055042E-02-1.44797191E-05 2.64412625E-09-1.87708856E-13 2 - 1.34606628E+04-8.79939244E+01-1.11259971E+00 9.32509010E-02-3.08798907E-05 3 --3.00029397E-08 1.90639046E-11 2.03158745E+04 3.79691757E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -! + radical(Allyl_P) -C9H12L(185) C 9H 12 G 100.000 5000.000 1522.23 1 - 5.57700469E+01 1.06918468E-01-4.18891200E-05 7.42887524E-09-4.96754006E-13 2 --6.07889558E+03-2.47026464E+02-1.06159955E+01 2.81365287E-01-2.13790988E-04 3 - 8.27151171E-08-1.28614064E-11 1.41317642E+04 1.01140659E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclopentene) + -! ring(Cyclopentene) -C10H14(186) C 10H 14 G 100.000 5000.000 964.35 1 - 2.14267523E+01 4.01236006E-02-1.37082318E-05 2.62792929E-09-2.00516234E-13 2 - 1.22003850E+03-9.11284167E+01 7.78174326E-01 3.46897031E-02 1.36417141E-04 3 --1.99096081E-07 7.74851599E-11 9.43768200E+03 2.96980761E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + ring(Cyclopentadiene) -C5H6(187) C 5H 6 G 100.000 5000.000 948.18 1 - 1.23881847E+01 1.33340944E-02-3.50190977E-06 6.76618448E-10-5.69827255E-14 2 - 1.06911695E+04-4.47929654E+01 2.99614574E+00 2.16863044E-03 9.45058637E-05 3 --1.24723397E-07 4.79009709E-11 1.47552013E+04 1.20571415E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C11H18L(188) C 11H 18 G 100.000 5000.000 1394.00 1 - 4.42329071E+01 1.50531351E-01-6.35699098E-05 1.17335011E-08-8.04827720E-13 2 --1.62996673E+04-1.74277896E+02-1.05039558E+01 3.07597518E-01-2.32581565E-04 3 - 9.25626765E-08-1.53009188E-11-1.03922413E+03 1.07977474E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(1,3-cyclopentadiene-allyl) -C5H5(189) C 5H 5 G 100.000 5000.000 1071.07 1 - 7.36867927E+00 1.95181731E-02-7.32840065E-06 1.29022848E-09-8.70708319E-14 2 - 2.94179776E+04-1.82002343E+01 2.41059785E+00 3.07885943E-02-1.29644745E-05 3 --1.51805464E-09 2.04273365E-12 3.08956891E+04 8.00027680E+00 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! radical(Allyl_T) -C9H14L(190) C 9H 14 G 100.000 5000.000 1516.70 1 - 4.71381127E+01 1.26211669E-01-5.15162638E-05 9.30841048E-09-6.28597328E-13 2 --1.91392614E+04-1.98673086E+02-9.65299460E+00 2.75986383E-01-1.99641115E-04 3 - 7.44164829E-08-1.13604084E-11-1.91216193E+03 9.89670513E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(RCCJC) -C8H13(191) C 8H 13 G 100.000 5000.000 1203.34 1 - 1.47464804E+01 4.17814878E-02-1.63337603E-05 2.92047258E-09-1.97661588E-13 2 - 1.75575661E+04-4.35427658E+01-3.29354712E-02 7.78496654E-02-4.50142917E-05 3 - 9.79072269E-09 2.48796526E-13 2.20600397E+04 3.44238901E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C12H20R(192) C 12H 20 G 100.000 5000.000 1381.69 1 - 4.50779530E+01 1.59022181E-01-6.74088651E-05 1.24681241E-08-8.56436772E-13 2 --1.93984235E+04-1.76799052E+02-1.10801269E+01 3.21599383E-01-2.43906264E-04 3 - 9.76278891E-08-1.62649901E-11-3.87974119E+03 1.12287800E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! radical(Allyl_S) -C7H12L(193) C 7H 12 G 100.000 5000.000 1609.53 1 - 4.93334794E+01 1.09630835E-01-4.38911312E-05 7.82021827E-09-5.22006233E-13 2 --2.71572047E+04-2.15467826E+02-9.03961191E+00 2.54697089E-01-1.79083248E-04 3 - 6.38158079E-08-9.21936817E-12-8.36624432E+03 9.39317844E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C8H12(194) C 8H 12 G 100.000 5000.000 1005.34 1 - 1.70020967E+01 3.54849559E-02-1.34528013E-05 2.47698827E-09-1.75377216E-13 2 - 8.95578776E+03-5.83139705E+01 1.86691312E-01 6.87130409E-02-1.27840820E-05 3 --3.12859442E-08 1.65061512E-11 1.40386716E+04 3.13642191E+01 4 - -! Thermo library: DFT_QCI_thermo -[CH2]CC(195) C 3H 7 G 100.000 5000.000 984.47 1 - 6.16546759E+00 1.84494011E-02-6.79026009E-06 1.23048391E-09-8.63859567E-14 2 - 9.09504607E+03-6.67625398E+00 3.02814630E+00 1.47024434E-02 2.40505868E-05 3 --3.66733206E-08 1.38609152E-11 1.05120551E+04 1.24699044E+01 4 - -! Thermo library: DFT_QCI_thermo -C2H4(196) C 2H 4 G 100.000 5000.000 946.00 1 - 4.59009997E+00 8.72743880E-03-2.66505596E-06 4.81739733E-10-3.60714734E-14 2 - 4.12706951E+03-3.32389917E+00 3.98879754E+00-6.74758829E-03 5.04415006E-05 3 --5.70767559E-08 2.04955418E-11 5.04704590E+03 3.80480675E+00 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + ring(Cyclobutane) + radical(Allyl_P) -C8H13(197) C 8H 13 G 100.000 5000.000 970.69 1 - 1.79004739E+01 3.66915753E-02-1.30521082E-05 2.44964497E-09-1.80786258E-13 2 - 1.41614140E+04-6.84661489E+01 8.41225687E-01 4.41142146E-02 7.26376883E-05 3 --1.23130972E-07 4.93483604E-11 2.04354146E+04 2.85853573E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) -! + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJ) -C8H13(198) C 8H 13 G 100.000 5000.000 1323.84 1 - 1.18028230E+01 4.82583544E-02-2.05920925E-05 3.81959521E-09-2.62864352E-13 2 - 2.08430806E+04-2.83011781E+01 2.64796049E-01 8.31206263E-02-6.00933655E-05 3 - 2.37118485E-08-4.01940538E-12 2.38979834E+04 3.05999805E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C7H12R(199) C 7H 12 G 100.000 5000.000 1508.93 1 - 4.12147126E+01 1.22076722E-01-5.02711133E-05 9.12095015E-09-6.17388426E-13 2 --2.67041835E+04-1.70846107E+02-8.33790987E+00 2.53435095E-01-1.80852159E-04 3 - 6.68135362E-08-1.01759191E-11-1.17499032E+04 8.86026158E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C10H14(200) C 10H 14 G 100.000 5000.000 1151.30 1 - 2.04738303E+01 4.43034588E-02-1.74184670E-05 3.15355505E-09-2.16221303E-13 2 - 1.65347593E+04-7.48294431E+01-1.29786777E+00 1.02344781E-01-7.01072277E-05 3 - 2.03843754E-08-1.07434344E-12 2.27143887E+04 3.83398029E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentadiene) -C10H12(201) C 10H 12 G 100.000 5000.000 982.78 1 - 2.15240451E+01 3.64079696E-02-1.33173593E-05 2.47810081E-09-1.79646187E-13 2 - 1.99552708E+04-8.64223784E+01-3.77908067E-01 7.47113570E-02 5.81616360E-06 3 --6.31376451E-08 2.99014141E-11 2.67154150E+04 3.13524570E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene) + -! radical(cyclopentene-allyl) -C10H13(202) C 10H 13 G 100.000 5000.000 971.45 1 - 2.19106432E+01 3.78859187E-02-1.34304196E-05 2.53413838E-09-1.88247492E-13 2 - 2.25450285E+04-8.90045123E+01 4.70184308E-02 5.88375953E-02 6.08739210E-05 3 --1.21651888E-07 5.06071242E-11 3.00521460E+04 3.26167221E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! radical(Tertalkyl) -C5H9L2(203) C 5H 9 G 100.000 5000.000 1409.42 1 - 5.75844383E+01 2.08435925E-01-8.89718527E-05 1.64921748E-08-1.13318181E-12 2 --4.48488899E+04-2.32364986E+02-1.54503176E+01 4.15711933E-01-3.09568931E-04 3 - 1.20836289E-07-1.96415201E-11-2.42615556E+04 1.45049453E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentene) -C11H16(204) C 11H 16 G 100.000 5000.000 986.99 1 - 2.31244916E+01 4.82952520E-02-1.79518562E-05 3.34493969E-09-2.41467168E-13 2 - 2.41717448E+03-9.31452233E+01-1.01050121E+00 8.39609339E-02 2.22932006E-05 3 --8.76344151E-08 3.89622832E-11 1.02083964E+04 3.83107047E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) -C10H14L(205) C 10H 14 G 100.000 5000.000 1476.34 1 - 5.44251374E+01 1.18978602E-01-4.76564111E-05 8.56307280E-09-5.77821952E-13 2 --9.87429303E+03-2.35552087E+02-1.09954465E+01 2.96229182E-01-2.27747482E-04 3 - 8.98862205E-08-1.43488844E-11 9.44232773E+03 1.05550105E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) -C7H11LR(206) C 7H 11 G 100.000 5000.000 1484.97 1 - 7.50664540E+01 1.94221644E-01-7.99086287E-05 1.45305482E-08-9.86237083E-13 2 --4.83714428E+04-3.32487493E+02-1.80150560E+01 4.44952338E-01-3.33178107E-04 3 - 1.28234534E-07-2.01287871E-11-2.07269057E+04 1.53380530E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentadiene) -C8H9R(207) C 8H 9 G 100.000 5000.000 1198.83 1 - 4.47061178E+01 1.11672420E-01-4.55194077E-05 8.36172030E-09-5.76124061E-13 2 --9.80493582E+03-1.90568205E+02-8.83552828E+00 2.45925574E-01-1.57954435E-04 3 - 3.99982700E-08-7.32208697E-13 6.22263468E+03 9.07538764E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(Cyclopentane) + radical(Tertalkyl) -C8H11LR(208) C 8H 11 G 100.000 5000.000 1614.27 1 - 8.32650882E+01 1.83311208E-01-7.28847506E-05 1.29400072E-08-8.61841171E-13 2 --4.48844820E+04-3.77252704E+02-1.84691867E+01 4.35400493E-01-3.07131055E-04 3 - 1.09680566E-07-1.58440449E-11-1.20394122E+04 1.62274396E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds- -! Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds- -! Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! polycyclic(s3_5_5_ane) + radical(2-norbornyl) -C8H11LR(209) C 8H 11 G 100.000 5000.000 1191.39 1 - 7.19795452E+01 2.02860818E-01-8.41894067E-05 1.56135398E-08-1.08159971E-12 2 --3.85839603E+04-3.23272375E+02-1.77878042E+01 4.15112442E-01-2.39197705E-04 3 - 3.95550000E-08 7.07163500E-12-1.08683546E+04 1.52072138E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentene) + -! radical(cyclopentene-allyl) -C10H13(210) C 10H 13 G 100.000 5000.000 1005.32 1 - 1.82322783E+01 4.48183287E-02-1.75591032E-05 3.31769270E-09-2.39068149E-13 2 - 2.62063943E+04-6.90631811E+01-7.92240758E-03 6.65148994E-02 2.59810146E-05 3 --7.58957436E-08 3.19778728E-11 3.24449079E+04 3.18192755E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentene) -C11H16(211) C 11H 16 G 100.000 5000.000 983.65 1 - 2.55496927E+01 4.55136981E-02-1.69673527E-05 3.23596636E-09-2.39032555E-13 2 - 2.16121353E+03-1.08210302E+02-1.00478053E+00 7.92758375E-02 4.47307763E-05 3 --1.15289870E-07 4.93813471E-11 1.09759584E+04 3.77138148E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(Cyclohexene) + radical(Cs_S) -C7H9LR(212) C 7H 9 G 100.000 5000.000 1649.95 1 - 8.69707212E+01 1.70295215E-01-6.75455990E-05 1.19555254E-08-7.93532660E-13 2 --4.44419389E+04-4.03487615E+02-1.83133668E+01 4.25536131E-01-2.99588944E-04 3 - 1.05712896E-07-1.49995713E-11-9.69911045E+03 1.57168130E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C8H11R(213) C 8H 11 G 100.000 5000.000 1541.66 1 - 5.19868002E+01 1.05673024E-01-4.18410630E-05 7.45100594E-09-4.98891682E-13 2 --1.91924927E+04-2.25764301E+02-9.70598873E+00 2.65741126E-01-1.97583317E-04 3 - 7.47991446E-08-1.14202337E-11-1.70588140E+02 9.85722104E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! radical(Allyl_S) -C8H14R(214) C 8H 14 G 100.000 5000.000 1588.81 1 - 4.99988084E+01 1.18319505E-01-4.78035624E-05 8.56563715E-09-5.74122209E-13 2 --3.01385541E+04-2.16899802E+02-9.57277671E+00 2.68297691E-01-1.89398688E-04 3 - 6.79792542E-08-9.92290243E-12-1.12090078E+04 9.80793040E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + -! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_5_5_ane) + -! radical(2-norbornyl) -C7H9LR(215) C 7H 9 G 100.000 5000.000 1210.88 1 - 6.87933891E+01 1.97123553E-01-8.14140762E-05 1.50252134E-08-1.03644816E-12 2 --3.32171015E+04-3.05464744E+02-1.69802717E+01 4.00599868E-01-2.34536886E-04 3 - 4.48574793E-08 4.05069644E-12-6.58965220E+03 1.48933385E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C8H13R2(216) C 8H 13 G 100.000 5000.000 1357.94 1 - 5.79653114E+01 2.31776676E-01-1.00163630E-04 1.87032561E-08-1.29191566E-12 2 --4.06222361E+04-2.27427518E+02-1.67799832E+01 4.51948211E-01-3.43367090E-04 3 - 1.38100915E-07-2.32732039E-11-2.03222130E+04 1.56045414E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(Cyclopentane) + radical(Cs_S) -C7H9LR(217) C 7H 9 G 100.000 5000.000 1231.33 1 - 7.18406956E+01 1.90679269E-01-7.75570670E-05 1.41826528E-08-9.72489773E-13 2 --3.42030523E+04-3.12431650E+02-1.75415672E+01 4.12909522E-01-2.65281881E-04 3 - 7.08857194E-08-3.36185704E-12-7.02638292E+03 1.58358714E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + radical(Allyl_S) -C7H9LR(218) C 7H 9 G 100.000 5000.000 1505.57 1 - 7.31595925E+01 1.91621995E-01-7.94601354E-05 1.44890057E-08-9.84095914E-13 2 --3.38353104E+04-3.17488975E+02-1.73064689E+01 4.31966551E-01-3.18909761E-04 3 - 1.20514795E-07-1.85892625E-11-6.59405836E+03 1.55975790E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + radical(Allyl_P) -C3H4L(219) C 3H 4 G 100.000 5000.000 1617.17 1 - 4.26862363E+01 8.16269168E-02-3.20789189E-05 5.66174589E-09-3.75757549E-13 2 --1.11768129E+04-1.85074950E+02-6.66621560E+00 2.03694766E-01-1.45299431E-04 3 - 5.23348216E-08-7.59080173E-12 4.78588016E+03 7.67460619E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C4H5R(220) C 4H 5 G 100.000 5000.000 1202.61 1 - 3.92568879E+01 9.24026354E-02-3.70827523E-05 6.75722158E-09-4.63497728E-13 2 --1.64497691E+04-1.62808037E+02-7.05652185E+00 2.12585949E-01-1.44752777E-04 3 - 4.30319946E-08-3.13736874E-12-2.86188191E+03 7.93519034E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(RCCJ) -C7H9(221) C 7H 9 G 100.000 5000.000 993.43 1 - 1.35440410E+01 2.91177540E-02-1.10809479E-05 2.07600747E-09-1.49609949E-13 2 - 2.84448207E+04-4.58600381E+01 1.37492223E+00 4.29835310E-02 2.10300852E-05 3 --5.50715079E-08 2.31902242E-11 3.25962853E+04 2.14941760E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -! + radical(Allyl_S) -C9H12R(222) C 9H 12 G 100.000 5000.000 1545.38 1 - 5.38832749E+01 1.10095545E-01-4.38028868E-05 7.81603886E-09-5.23813983E-13 2 --5.85150672E+03-2.35600362E+02-1.02156849E+01 2.76003541E-01-2.04835901E-04 3 - 7.72832730E-08-1.17614862E-11 1.39603251E+04 1.01541645E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Tertalkyl) -C9H15(223) C 9H 15 G 100.000 5000.000 1508.70 1 - 1.57027514E+01 5.06794893E-02-2.07409670E-05 3.74788481E-09-2.52993950E-13 2 - 1.25675563E+04-4.89739041E+01-4.39444155E-01 9.34773697E-02-6.32923016E-05 3 - 2.25506444E-08-3.36873436E-12 1.74382737E+04 3.55412145E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_P) -C4H6R(224) C 4H 6 G 100.000 5000.000 1552.31 1 - 4.27061368E+01 9.14705482E-02-3.65819635E-05 6.53853638E-09-4.38400679E-13 2 --1.39317228E+04-1.82970947E+02-7.25476491E+00 2.20210371E-01-1.60983807E-04 3 - 5.99652187E-08-9.04280607E-12 1.57919926E+03 8.00314101E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsHH) + ring(Cyclopropane) + radical(Tertalkyl) -RC[C]1CC1(225) C 4H 6 G 100.000 5000.000 1653.47 1 - 4.06842891E+01 9.37896347E-02-3.77660283E-05 6.73109869E-09-4.48533682E-13 2 --5.05887061E+03-1.72328916E+02-6.57312693E+00 2.08111969E-01-1.41476704E-04 3 - 4.85462165E-08-6.77082427E-12 1.05689654E+04 7.94257031E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(Cyclopentene) + radical(cyclopentene-allyl) -C11H15(226) C 11H 15 G 100.000 5000.000 1034.15 1 - 1.94979866E+01 5.28497533E-02-2.11640770E-05 3.96791990E-09-2.81620650E-13 2 - 2.11634009E+04-7.48878365E+01-8.75537271E-01 8.67644715E-02-5.24765899E-06 3 --4.82647798E-08 2.24918257E-11 2.77775928E+04 3.56921059E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -! + radical(Tertalkyl) -C9H14R(227) C 9H 14 G 100.000 5000.000 1421.10 1 - 4.25605212E+01 1.33533286E-01-5.58878675E-05 1.02641603E-08-7.01654889E-13 2 --1.05173117E+04-1.70038167E+02-9.35993254E+00 2.79673538E-01-2.10140467E-04 3 - 8.26265021E-08-1.34315259E-11 4.23965489E+03 9.86949537E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C9H13LR(228) C 9H 13 G 100.000 5000.000 1468.82 1 - 7.45842925E+01 2.08093510E-01-8.61781085E-05 1.57247374E-08-1.06974866E-12 2 --4.20622486E+04-3.22209415E+02-1.85910238E+01 4.61837432E-01-3.45310492E-04 3 - 1.33340415E-07-2.10886392E-11-1.46909067E+04 1.63129027E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentene) -C11H16(229) C 11H 16 G 100.000 5000.000 986.99 1 - 2.31244916E+01 4.82952520E-02-1.79518562E-05 3.34493969E-09-2.41467168E-13 2 - 2.41717448E+03-9.31452233E+01-1.01050121E+00 8.39609339E-02 2.22932006E-05 3 --8.76344151E-08 3.89622832E-11 1.02083964E+04 3.83107047E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJCC) -C7H10L(230) C 7H 10 G 100.000 5000.000 1459.75 1 - 3.99238723E+01 1.18165392E-01-4.91150457E-05 8.97665349E-09-6.11257797E-13 2 --2.03944754E+03-1.57409076E+02-8.05509303E+00 2.49637492E-01-1.84212632E-04 3 - 7.06757867E-08-1.11780168E-11 1.19679722E+04 9.22103355E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + ring(Cyclopentene) + radical(RCCJC) -C9H15(231) C 9H 15 G 100.000 5000.000 1040.92 1 - 1.37582247E+01 5.26150125E-02-2.09344106E-05 3.87939848E-09-2.72309480E-13 2 - 7.09348987E+03-4.21227684E+01 1.80278965E-01 6.73693055E-02 1.17306473E-05 3 --5.15786450E-08 2.13420223E-11 1.19476047E+04 3.36659908E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C10H16R(232) C 10H 16 G 100.000 5000.000 1334.82 1 - 3.90325964E+01 1.49615802E-01-6.41219064E-05 1.19365148E-08-8.23683819E-13 2 --1.25857860E+04-1.47590922E+02-9.62729428E+00 2.95429897E-01-2.27976701E-04 3 - 9.37709861E-08-1.61502433E-11 4.04919502E+02 1.01218725E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(Cyclopentene) + radical(cyclopentene-allyl) -C11H15(233) C 11H 15 G 100.000 5000.000 1034.15 1 - 1.94979866E+01 5.28497533E-02-2.11640770E-05 3.96791990E-09-2.81620650E-13 2 - 2.11634009E+04-7.48878365E+01-8.75537271E-01 8.67644715E-02-5.24765899E-06 3 --4.82647798E-08 2.24918257E-11 2.77775928E+04 3.56921059E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentene) + radical(cyclopentene-allyl) -C11H15(234) C 11H 15 G 100.000 5000.000 983.43 1 - 2.31441610E+01 4.58485990E-02-1.69577291E-05 3.17522341E-09-2.30829202E-13 2 - 1.76779576E+04-9.45598496E+01-8.03031207E-01 7.86283442E-02 3.16122200E-05 3 --9.65697314E-08 4.21119308E-11 2.55129822E+04 3.64594036E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(Allyl_P) -C10H15(235) C 10H 15 G 100.000 5000.000 1007.01 1 - 2.18354351E+01 4.45130955E-02-1.68553175E-05 3.09441436E-09-2.18574822E-13 2 - 1.74361725E+04-8.12083753E+01-1.16651525E+00 9.46349386E-02-3.00777339E-05 3 --2.88245154E-08 1.78028646E-11 2.41601180E+04 4.03071171E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C8H11LR(236) C 8H 11 G 100.000 5000.000 1475.56 1 - 7.34830030E+01 2.01108328E-01-8.38164043E-05 1.53406277E-08-1.04521092E-12 2 --3.67801045E+04-3.17207986E+02-1.79466331E+01 4.48957900E-01-3.35770038E-04 3 - 1.29174251E-07-2.03316371E-11-9.79800152E+03 1.59457128E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C7H12L(237) C 7H 12 G 100.000 5000.000 1348.27 1 - 3.12032728E+01 1.38955899E-01-6.02821225E-05 1.12700371E-08-7.78819940E-13 2 --1.36486786E+04-1.09385584E+02-7.46946416E+00 2.53688904E-01-1.87926913E-04 3 - 7.43854321E-08-1.24818624E-11-3.22042852E+03 8.87442626E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! radical(Allyl_S) -C11H17(238) C 11H 17 G 100.000 5000.000 1601.22 1 - 2.58296171E+01 4.89505089E-02-1.88549533E-05 3.29396763E-09-2.17445693E-13 2 - 1.02204423E+04-1.04823022E+02-2.24033978E+00 1.19072815E-01-8.45453536E-05 3 - 3.06444573E-08-4.48775734E-12 1.92095645E+04 4.38123180E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(C=CC=CCJ) -C6H7(239) C 6H 7 G 100.000 5000.000 945.84 1 - 1.39615853E+01 1.80037462E-02-4.98802905E-06 9.10700721E-10-7.18851864E-14 2 - 1.97023215E+04-5.05474316E+01 2.44368214E+00 1.31336789E-02 8.77078073E-05 3 --1.24317625E-07 4.88585122E-11 2.42777815E+04 1.70478845E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C10H13R(240) C 10H 13 G 100.000 5000.000 1129.34 1 - 4.80826422E+01 1.25166735E-01-5.08110025E-05 9.38778712E-09-6.52305763E-13 2 --1.69257718E+04-2.05228101E+02-1.00587790E+01 2.68075938E-01-1.56919265E-04 3 - 2.26130547E-08 7.35822846E-12 2.25444979E+02 1.00135796E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Tertalkyl) -C9H12L(241) C 9H 12 G 100.000 5000.000 1585.67 1 - 4.99702282E+01 1.16602570E-01-4.73050723E-05 8.49701885E-09-5.70415400E-13 2 --8.00990299E+03-2.16206767E+02-9.47579564E+00 2.66559147E-01-1.89158387E-04 3 - 6.81361000E-08-9.97313892E-12 1.08426467E+04 9.79915826E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + radical(RCCJ) -C8H11(242) C 8H 11 G 100.000 5000.000 1058.34 1 - 1.21374770E+01 4.12304551E-02-1.68726170E-05 3.16819649E-09-2.23669066E-13 2 - 2.77409347E+04-3.53361171E+01 9.56625345E-01 5.35420592E-02 8.12136674E-06 3 --3.93116763E-08 1.61263477E-11 3.17846965E+04 2.71624018E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_S) -C10H12L(243) C 10H 12 G 100.000 5000.000 1130.09 1 - 4.77019309E+01 1.23395173E-01-5.04768003E-05 9.36410953E-09-6.52167136E-13 2 --1.01110988E+02-2.02457405E+02-9.82525317E+00 2.62964078E-01-1.50713493E-04 3 - 1.83423061E-08 8.45680674E-12 1.69910304E+04 1.00209205E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds- -! Cds)HH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(3-Methylenecyclopentene) -C12H14(244) C 12H 14 G 100.000 5000.000 991.82 1 - 2.14489720E+01 5.00244347E-02-1.91857302E-05 3.64421390E-09-2.65770637E-13 2 - 2.17817430E+04-8.75855162E+01-4.66828760E-01 6.98297806E-02 5.45802390E-05 3 --1.15654493E-07 4.73774604E-11 2.95022450E+04 3.49705697E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + -! radical(Allyl_T) -C9H12L(245) C 9H 12 G 100.000 5000.000 1058.02 1 - 4.28673284E+01 1.27051223E-01-5.20623799E-05 9.81388954E-09-6.95725953E-13 2 --1.37513332E+04-1.91001987E+02-8.23038441E+00 2.21755175E-01-4.67120521E-05 3 --8.15300267E-08 4.16749176E-11 2.57305483E+03 8.44449446E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + ring(3-Methylenecyclopentene) -C11H14(246) C 11H 14 G 100.000 5000.000 972.27 1 - 2.44757193E+01 4.05124264E-02-1.42801628E-05 2.65454281E-09-1.94614739E-13 2 - 1.58535737E+04-1.00732706E+02-7.92415718E-01 7.78718470E-02 3.08257458E-05 3 --9.87231991E-08 4.39874618E-11 2.39147263E+04 3.66480838E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + -! radical(Tertalkyl) -C10H14R(247) C 10H 14 G 100.000 5000.000 1566.31 1 - 5.06530904E+01 1.25276353E-01-5.12144011E-05 9.24257265E-09-6.22593104E-13 2 --1.10046205E+04-2.17748327E+02-1.00141155E+01 2.80206171E-01-1.99584811E-04 3 - 7.23931119E-08-1.07020724E-11 8.00016460E+03 1.02158790E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_T) -C11H14L(248) C 11H 14 G 100.000 5000.000 1127.86 1 - 4.88667804E+01 1.30295180E-01-5.27979702E-05 9.74002742E-09-6.76107255E-13 2 --5.41867857E+03-2.07832706E+02-1.04534754E+01 2.75663320E-01-1.59665821E-04 3 - 2.18000398E-08 7.97932975E-12 1.20973896E+04 1.03822300E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C10H12L(249) C 10H 12 G 100.000 5000.000 1060.88 1 - 4.25509224E+01 1.30055873E-01-5.29997522E-05 9.94139808E-09-7.02123682E-13 2 --8.54507959E+02-1.84121046E+02-8.42457175E+00 2.26839404E-01-5.49303628E-05 3 --7.36270764E-08 3.89703434E-11 1.53306672E+04 9.01252889E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C10H14R(250) C 10H 14 G 100.000 5000.000 1069.24 1 - 4.46028017E+01 1.34106433E-01-5.51051768E-05 1.03658515E-08-7.32518202E-13 2 --1.72518812E+04-1.98590015E+02-8.98749567E+00 2.37807107E-01-6.48140862E-05 3 --6.82327553E-08 3.74374021E-11-2.59476157E+02 8.94099482E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -! + ring(4-Methylenecyclopentene) -C11H14(251) C 11H 14 G 100.000 5000.000 1023.00 1 - 1.99684220E+01 4.87586866E-02-1.92400464E-05 3.60017655E-09-2.56118703E-13 2 - 1.93191749E+04-7.50494494E+01-7.97487089E-01 8.53122404E-02-7.37905464E-06 3 --4.67874619E-08 2.24823708E-11 2.59038579E+04 3.70235793E+01 4 - -! Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Fulvene) -C6H6(252) C 6H 6 G 100.000 5000.000 949.88 1 - 1.38824352E+01 1.47777411E-02-4.11982562E-06 7.77620605E-10-6.28633473E-14 2 - 2.10172690E+04-5.21584472E+01 2.47058465E+00 1.46010235E-02 7.23252049E-05 3 --1.06330978E-07 4.21962685E-11 2.53612118E+04 1.37641969E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + radical(Tertalkyl) -C9H15L2(253) C 9H 15 G 100.000 5000.000 1371.79 1 - 6.15839972E+01 2.35319817E-01-1.01042532E-04 1.88052981E-08-1.29629506E-12 2 --4.58363500E+04-2.46079887E+02-1.76138361E+01 4.66252908E-01-3.53559347E-04 3 - 1.41524331E-07-2.36610842E-11-2.41078164E+04 1.61039523E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(3-Methylenecyclopentene) -C12H14(254) C 12H 14 G 100.000 5000.000 964.25 1 - 2.61960980E+01 4.13821509E-02-1.40022621E-05 2.64658603E-09-2.00004942E-13 2 - 1.82114885E+04-1.15319487E+02-4.85081099E-01 6.26413010E-02 9.20325321E-05 3 --1.66838987E-07 6.86773086E-11 2.75141318E+04 3.39869247E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(4-Methylenecyclopentene) -C12H14(255) C 12H 14 G 100.000 5000.000 1050.63 1 - 1.71788874E+01 5.78904490E-02-2.39356884E-05 4.54185349E-09-3.23392212E-13 2 - 2.51400023E+04-6.39454702E+01-4.69227944E-01 7.71936512E-02 1.68742584E-05 3 --6.47367234E-08 2.64846964E-11 3.14912970E+04 3.46461219E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_S) -C11H15(256) C 11H 15 G 100.000 5000.000 1015.97 1 - 2.07550254E+01 5.06239747E-02-2.00203896E-05 3.77006904E-09-2.69943666E-13 2 - 1.98571245E+04-7.95106189E+01-8.63249036E-01 8.43433755E-02 6.07503643E-06 3 --6.31443315E-08 2.84477035E-11 2.69022947E+04 3.81814058E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + -! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentadiene) -C12H14(257) C 12H 14 G 100.000 5000.000 967.18 1 - 2.64898739E+01 4.12183157E-02-1.42117552E-05 2.69589330E-09-2.03178466E-13 2 - 1.76716706E+04-1.14645709E+02-6.39336747E-01 6.71049591E-02 7.95040288E-05 3 --1.54172767E-07 6.41956034E-11 2.69564010E+04 3.62015889E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + group(Cs- -! CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C11H14L(258) C 11H 14 G 100.000 5000.000 1064.88 1 - 4.62198597E+01 1.35346718E-01-5.56452857E-05 1.04888130E-08-7.42767277E-13 2 --6.14547689E+03-2.04889460E+02-9.27562785E+00 2.42271620E-01-6.32411844E-05 3 --7.42930328E-08 4.01818353E-11 1.14304541E+04 9.33626816E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + -! radical(Tertalkyl) -C12H18L(259) C 12H 18 G 100.000 5000.000 1552.20 1 - 5.45758796E+01 1.38296087E-01-5.65163535E-05 1.02042946E-08-6.87942016E-13 2 --1.84264761E+04-2.35925173E+02-1.13785903E+01 3.08261078E-01-2.20766582E-04 3 - 8.07499014E-08-1.20502153E-11 2.04829148E+03 1.11264993E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(RCCJC) -C9H13(260) C 9H 13 G 100.000 5000.000 1008.00 1 - 1.48914908E+01 4.51871261E-02-1.74610386E-05 3.23476186E-09-2.29185352E-13 2 - 2.06266696E+04-4.84732636E+01 4.09735063E-01 6.11760167E-02 2.04698948E-05 3 --6.26746187E-08 2.62421061E-11 2.56534225E+04 3.19607747E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentadiene) -C12H14(261) C 12H 14 G 100.000 5000.000 997.55 1 - 2.17844607E+01 4.97918860E-02-1.93565004E-05 3.68452877E-09-2.68207888E-13 2 - 2.12236777E+04-8.78410843E+01-6.23808642E-01 7.43201069E-02 4.19884129E-05 3 --1.02958061E-07 4.29095181E-11 2.89446344E+04 3.65021778E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C5H7L(262) C 5H 7 G 100.000 5000.000 1521.95 1 - 4.48175631E+01 9.39009837E-02-3.72171621E-05 6.63649133E-09-4.45041680E-13 2 --2.35794385E+04-1.93339581E+02-7.91047806E+00 2.32481960E-01-1.73800230E-04 3 - 6.64649193E-08-1.02726896E-11-7.52963778E+03 8.31878270E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + ring(3-Methylenecyclopentene) -C9H11R(263) C 9H 11 G 100.000 5000.000 1101.97 1 - 4.50562929E+01 1.19901712E-01-4.87418435E-05 9.05186062E-09-6.32471807E-13 2 --1.27095090E+04-1.90034077E+02-9.08074625E+00 2.47365885E-01-1.28261397E-04 3 - 3.01274273E-10 1.42518512E-11 3.41424716E+03 9.54241997E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(4-Methylenecyclopentene) -C9H11R(264) C 9H 11 G 100.000 5000.000 1681.08 1 - 5.48223230E+01 1.06562012E-01-4.22856140E-05 7.47023973E-09-4.94527145E-13 2 --1.62356093E+04-2.46562688E+02-9.61282294E+00 2.59881652E-01-1.79091264E-04 3 - 6.17237397E-08-8.56284042E-12 5.42834990E+03 9.77691083E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C11H15(265) C 11H 15 G 100.000 5000.000 989.76 1 - 1.74407080E+01 5.43270761E-02-2.09042583E-05 3.97145090E-09-2.89414653E-13 2 - 1.82752716E+04-7.16230322E+01 3.88774946E-01 4.97881063E-02 9.72919839E-05 3 --1.50619880E-07 5.76966581E-11 2.52485606E+04 2.86423224E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs- -! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_T) -C12H17(266) C 12H 17 G 100.000 5000.000 1013.67 1 - 2.18847107E+01 5.75873467E-02-2.23794895E-05 4.15517612E-09-2.94659793E-13 2 - 1.45530929E+04-8.46902548E+01-1.47468162E+00 9.68396312E-02-2.14654907E-06 3 --6.06590903E-08 2.83936434E-11 2.20079358E+04 4.17346359E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-CdsHH) + ring(Cyclopentene) + ring(3-Methylenecyclopentene) -C12H16(267) C 12H 16 G 100.000 5000.000 973.93 1 - 2.47896556E+01 4.92569612E-02-1.77262251E-05 3.34919676E-09-2.47862163E-13 2 - 4.79890772E+03-1.06726844E+02-6.96750795E-01 6.86591236E-02 8.37234371E-05 3 --1.55992310E-07 6.37298489E-11 1.38075240E+04 3.63194390E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C9H11R(268) C 9H 11 G 100.000 5000.000 1085.50 1 - 4.56733285E+01 1.18839448E-01-4.80404842E-05 8.92343446E-09-6.24824170E-13 2 --1.24225174E+04-1.93657906E+02-9.12042507E+00 2.47411634E-01-1.24364705E-04 3 --6.44187480E-09 1.72483214E-11 3.79406342E+03 9.50881435E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) -C12H16(269) C 12H 16 G 100.000 5000.000 1007.90 1 - 2.01685406E+01 5.76924436E-02-2.27934757E-05 4.31989249E-09-3.11426264E-13 2 - 8.31377843E+03-8.04000555E+01-6.85203365E-01 7.59088552E-02 4.61534421E-05 3 --1.04820152E-07 4.25190020E-11 1.57959363E+04 3.66350417E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(4-Methylenecyclopentene) -C9H11R(270) C 9H 11 G 100.000 5000.000 1671.42 1 - 5.60645279E+01 1.04469203E-01-4.10049761E-05 7.20774496E-09-4.75939282E-13 2 --1.62208408E+04-2.53727317E+02-9.86295916E+00 2.62244801E-01-1.82598835E-04 3 - 6.36840766E-08-8.92327610E-12 5.81771826E+03 9.82000695E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + ring(Cyclopentadiene) -C11H14(271) C 11H 14 G 100.000 5000.000 976.91 1 - 2.47849941E+01 4.03226788E-02-1.44748932E-05 2.70039383E-09-1.97503513E-13 2 - 1.53071003E+04-1.00839600E+02-9.48659197E-01 8.23579090E-02 1.82252064E-05 3 --8.59756370E-08 3.94776787E-11 2.33570814E+04 3.81767857E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C9H12(272) C 9H 12 G 100.000 5000.000 977.02 1 - 1.85974115E+01 3.65628696E-02-1.32931363E-05 2.49664831E-09-1.83038653E-13 2 - 1.13677180E+04-7.15007429E+01 5.09630892E-01 5.33073245E-02 4.89832693E-05 3 --1.00032545E-07 4.14138147E-11 1.76374012E+04 2.93397499E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + ring(Cyclopentene) + ring(3-Methylenecyclopentene) -C12H16(273) C 12H 16 G 100.000 5000.000 973.26 1 - 2.72341886E+01 4.64428259E-02-1.67230509E-05 3.23583342E-09-2.45064693E-13 2 - 4.53472605E+03-1.21900942E+02-6.94666347E-01 6.40168445E-02 1.06012808E-04 3 --1.83460276E-07 7.40720223E-11 1.45752422E+04 3.57355838E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) + ring(Cyclopentene) -C11H14(274) C 11H 14 G 100.000 5000.000 964.31 1 - 2.38120416E+01 4.07518160E-02-1.38546310E-05 2.63711134E-09-2.00248402E-13 2 - 9.71550802E+03-1.02534268E+02 1.46371480E-01 4.86676350E-02 1.14217078E-04 3 --1.82957081E-07 7.30766148E-11 1.84759144E+04 3.25362711E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C9H12(275) C 9H 12 G 100.000 5000.000 1043.46 1 - 1.41839217E+01 4.46600031E-02-1.81712259E-05 3.42367727E-09-2.43043707E-13 2 - 1.47904637E+04-4.63521527E+01 5.09048839E-01 6.06736141E-02 1.11455292E-05 3 --4.87446129E-08 2.02670813E-11 1.96263561E+04 2.97004619E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -! + ring(4-Methylenecyclopentene) + ring(Cyclopentene) -C11H14(276) C 11H 14 G 100.000 5000.000 991.10 1 - 1.90475865E+01 4.94235755E-02-1.90551014E-05 3.63875614E-09-2.66347314E-13 2 - 1.32930452E+04-7.53958852E+01 1.68735646E-01 5.58067517E-02 7.69407054E-05 3 --1.32003828E-07 5.18761557E-11 2.04638514E+04 3.28120863E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)(Cds- -! Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentadiene) -C12H14(277) C 12H 14 G 100.000 5000.000 970.35 1 - 2.67870692E+01 4.10488246E-02-1.44180516E-05 2.74445656E-09-2.06290970E-13 2 - 1.71303653E+04-1.15377572E+02-7.93794109E-01 7.15705055E-02 6.69716506E-05 3 --1.41506345E-07 5.97163391E-11 2.63986790E+04 3.70307106E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) -C11H14(278) C 11H 14 G 100.000 5000.000 1010.04 1 - 2.08539617E+01 4.73499037E-02-1.83546398E-05 3.42538509E-09-2.44386765E-13 2 - 1.94907089E+04-8.11109120E+01-8.57408456E-01 8.56667463E-02-4.47054956E-06 3 --5.24620431E-08 2.51534319E-11 2.63079212E+04 3.58867206E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(4-Methylenecyclopentene) -C11H14(279) C 11H 14 G 100.000 5000.000 1181.29 1 - 1.79852603E+01 5.29832921E-02-2.18771415E-05 4.04321668E-09-2.79421797E-13 2 - 2.22082091E+04-6.47663103E+01-9.41384624E-01 9.38400429E-02-4.42579774E-05 3 - 2.60918923E-11 4.09396213E-12 2.83006862E+04 3.65578594E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) -C12H16(280) C 12H 16 G 100.000 5000.000 1000.83 1 - 2.25528556E+01 5.49784358E-02-2.18471207E-05 4.21979296E-09-3.09719155E-13 2 - 8.07565094E+03-9.52337092E+01-6.75165501E-01 7.11763903E-02 6.87369243E-05 3 --1.32630233E-07 5.29863287E-11 1.65633101E+04 3.60224626E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentadiene) + radical(Tertalkyl) -C13H20R(281) C 13H 20 G 100.000 5000.000 1536.03 1 - 5.52901740E+01 1.46936356E-01-6.04137543E-05 1.09482114E-08-7.40053173E-13 2 --2.14422997E+04-2.37658111E+02-1.19235380E+01 3.21968566E-01-2.31340231E-04 3 - 8.51335673E-08-1.28142513E-11-7.93834740E+02 1.15457430E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Allyl_S) -C10H12L(282) C 10H 12 G 100.000 5000.000 1110.41 1 - 4.67926740E+01 1.24545041E-01-5.08116673E-05 9.43928344E-09-6.59066271E-13 2 - 7.18134219E+02-1.98933211E+02-9.62825648E+00 2.58062829E-01-1.36985157E-04 3 - 4.62670756E-09 1.31560844E-11 1.75468370E+04 9.85301431E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C12H15(283) C 12H 15 G 100.000 5000.000 1005.93 1 - 1.99691331E+01 5.57266573E-02-2.21085282E-05 4.21295591E-09-3.05142957E-13 2 - 2.35092301E+04-8.06598604E+01-4.75292206E-01 7.08271976E-02 5.40813811E-05 3 --1.11697701E-07 4.47594763E-11 3.09714893E+04 3.47404626E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentadiene) -C11H12(284) C 11H 12 G 100.000 5000.000 969.30 1 - 2.32101710E+01 3.73349336E-02-1.30720576E-05 2.47777419E-09-1.85664894E-13 2 - 2.23279044E+04-1.00122562E+02-6.61237102E-02 5.94305697E-02 6.71850814E-05 3 --1.31437788E-07 5.46557419E-11 3.03146282E+04 2.93683666E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) -C6H9R(285) C 6H 9 G 100.000 5000.000 1496.70 1 - 4.37846280E+01 1.05270679E-01-4.26232791E-05 7.68732307E-09-5.19198149E-13 2 --2.72453682E+04-1.85921973E+02-8.21480693E+00 2.44243188E-01-1.81903818E-04 3 - 6.97269905E-08-1.08820610E-11-1.16800380E+04 8.59140709E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_T) -C7H12R(286) C 7H 12 G 100.000 5000.000 1580.17 1 - 4.62652164E+01 1.13668270E-01-4.55330125E-05 8.12307091E-09-5.43225968E-13 2 --2.75685487E+04-1.99330797E+02-8.78896387E+00 2.53032261E-01-1.77827612E-04 3 - 6.39380981E-08-9.37385076E-12-1.01697200E+04 9.14623523E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + radical(C=CC=CCJ) -C6H8R(287) C 6H 8 G 100.000 5000.000 1539.96 1 - 4.68743396E+01 9.75908404E-02-3.81763967E-05 6.74829644E-09-4.49821150E-13 2 --1.45116431E+04-2.03189214E+02-8.47592784E+00 2.41360748E-01-1.78214924E-04 3 - 6.73722918E-08-1.02915828E-11 2.53588600E+03 8.77419564E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C6H8R(288) C 6H 8 G 100.000 5000.000 1094.49 1 - 3.86979026E+01 1.09951958E-01-4.48885611E-05 8.36167958E-09-5.85531690E-13 2 --1.45451027E+04-1.62828066E+02-7.28502180E+00 2.11681446E-01-9.34127642E-05 3 --1.74479171E-08 1.79564772E-11-5.07115572E+02 8.13120874E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_S) -C10H13LR(289) C 10H 13 G 100.000 5000.000 1454.92 1 - 7.81281481E+01 2.06926233E-01-8.58227468E-05 1.56912660E-08-1.06946036E-12 2 --3.31639533E+04-3.40193528E+02-1.92910744E+01 4.74757091E-01-3.61949085E-04 3 - 1.42215156E-07-2.28099093E-11-4.81619691E+03 1.66326438E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C6H8(290) C 6H 8 G 100.000 5000.000 960.58 1 - 1.30050803E+01 2.22419877E-02-7.40377667E-06 1.39943163E-09-1.06266736E-13 2 - 7.40239242E+03-4.64344790E+01 2.32690993E+00 1.71726183E-02 7.78631591E-05 3 --1.11460906E-07 4.32380665E-11 1.17391865E+04 1.65476731E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(RCCJ) -C8H12R(291) C 8H 12 G 100.000 5000.000 1370.97 1 - 3.77104261E+01 1.32594171E-01-5.66340571E-05 1.05173901E-08-7.24244360E-13 2 --3.02402958E+03-1.43761914E+02-8.46245443E+00 2.67309434E-01-2.04027412E-04 3 - 8.21905391E-08-1.37939660E-11 9.63636154E+03 9.35641778E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_P) -C10H12L(292) C 10H 12 G 100.000 5000.000 1102.77 1 - 4.89601926E+01 1.21295280E-01-4.91845567E-05 9.12345880E-09-6.37224805E-13 2 --7.06033204E+01-2.10352879E+02-9.99118930E+00 2.65713812E-01-1.51210361E-04 3 - 1.37255366E-08 1.12587201E-11 1.71519702E+04 9.89567317E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Tertalkyl) -C9H12L(293) C 9H 12 G 100.000 5000.000 1619.67 1 - 5.14954781E+01 1.14037776E-01-4.56622488E-05 8.13216036E-09-5.42451405E-13 2 --8.37120028E+03-2.26684529E+02-9.57592324E+00 2.64860899E-01-1.85340645E-04 3 - 6.56242418E-08-9.41642420E-12 1.14120584E+04 9.74001583E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C12H18L(294) C 12H 18 G 100.000 5000.000 1078.71 1 - 4.86050683E+01 1.47005829E-01-6.03435857E-05 1.13135436E-08-7.96763138E-13 2 --2.47131817E+04-2.17226110E+02-1.04350160E+01 2.66791439E-01-8.90473484E-05 3 --5.61505793E-08 3.45854123E-11-6.20759016E+03 9.88178954E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Allyl_T) -C11H15LR(295) C 11H 15 G 100.000 5000.000 1449.34 1 - 7.92685401E+01 2.13852682E-01-8.81535441E-05 1.60685594E-08-1.09346174E-12 2 --3.84654284E+04-3.45420502E+02-1.99361915E+01 4.87644789E-01-3.71514971E-04 3 - 1.46408650E-07-2.35760638E-11-9.70907349E+03 1.70000948E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) -C12H15R(296) C 12H 15 G 100.000 5000.000 1101.22 1 - 5.32967442E+01 1.30040239E-01-5.21966462E-05 9.63099414E-09-6.70759027E-13 2 --1.26899407E+04-2.31436671E+02-1.13537145E+01 2.92946918E-01-1.76124435E-04 3 - 2.53445569E-08 9.22677831E-12 5.91007876E+03 1.06499358E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Allyl_T) -C11H14L(297) C 11H 14 G 100.000 5000.000 1108.28 1 - 4.79475878E+01 1.31462259E-01-5.31428736E-05 9.81758911E-09-6.83205397E-13 2 --4.59537980E+03-2.04252788E+02-1.02533736E+01 2.70725501E-01-1.45810557E-04 3 - 7.92262414E-09 1.27458344E-11 1.26530624E+04 1.02132105E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -! + ring(4-Methylenecyclopentene) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C11H13(298) C 11H 13 G 100.000 5000.000 989.86 1 - 1.88612200E+01 4.74361573E-02-1.83579000E-05 3.52896278E-09-2.59829397E-13 2 - 2.84828367E+04-7.57294525E+01 3.76954178E-01 5.07442303E-02 8.48064841E-05 3 --1.38809372E-07 5.40903905E-11 3.56394778E+04 3.09236242E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! radical(Tertalkyl) -C9H13LR(299) C 9H 13 G 100.000 5000.000 1363.25 1 - 6.40224319E+01 2.25570174E-01-9.63824411E-05 1.79123546E-08-1.23444983E-12 2 --3.33183653E+04-2.60111222E+02-1.77743107E+01 4.65574041E-01-3.60460148E-04 3 - 1.47052931E-07-2.49168093E-11-1.10163677E+04 1.59857686E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C12H15R(300) C 12H 15 G 100.000 5000.000 1566.57 1 - 5.95575332E+01 1.21837260E-01-4.83652283E-05 8.60922637E-09-5.75606012E-13 2 --1.48928004E+04-2.67805817E+02-1.17064415E+01 3.03796420E-01-2.22589666E-04 3 - 8.27507836E-08-1.24072639E-11 7.43552470E+03 1.07992281E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C12H15R(301) C 12H 15 G 100.000 5000.000 1121.26 1 - 5.28560347E+01 1.30821508E-01-5.27434898E-05 9.72419232E-09-6.75562712E-13 2 --1.33846614E+04-2.28974063E+02-1.13295304E+01 2.93067172E-01-1.80521300E-04 3 - 3.26189719E-08 6.05418605E-12 5.20386424E+03 1.06736092E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(4-Methylenecyclopentene) -C12H15R(302) C 12H 15 G 100.000 5000.000 1566.54 1 - 5.97034512E+01 1.21522555E-01-4.81854252E-05 8.57260354E-09-5.72988978E-13 2 --1.44632860E+04-2.68423304E+02-1.17270099E+01 3.03913746E-01-2.22830175E-04 3 - 8.28958533E-08-1.24340930E-11 7.91635073E+03 1.08250012E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C12H15R(303) C 12H 15 G 100.000 5000.000 1509.92 1 - 4.91975772E+01 1.39151282E-01-5.82067546E-05 1.06500139E-08-7.24423565E-13 2 --8.64298886E+03-2.08552974E+02-1.04420453E+01 2.97145375E-01-2.15162813E-04 3 - 7.99499441E-08-1.21985275E-11 9.36722656E+03 1.03748645E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C12H15R(304) C 12H 15 G 100.000 5000.000 1570.17 1 - 5.82448591E+01 1.23933856E-01-4.96312630E-05 8.87115226E-09-5.94391818E-13 2 --1.46950919E+04-2.60161386E+02-1.14775739E+01 3.01552705E-01-2.19313678E-04 3 - 8.09158634E-08-1.20653221E-11 7.19996120E+03 1.07666175E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) -! + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C12H16R2(305) C 12H 16 G 100.000 5000.000 1367.88 1 - 7.49182078E+01 2.28883730E-01-9.65425787E-05 1.78478308E-08-1.22699888E-12 2 --4.02861270E+04-3.17420770E+02-2.01527715E+01 5.06891695E-01-4.01400707E-04 3 - 1.66426273E-07-2.83817039E-11-1.42768259E+04 1.71024478E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentene) -C12H15R(306) C 12H 15 G 100.000 5000.000 1045.62 1 - 5.09879540E+01 1.32957435E-01-5.32670860E-05 9.95872650E-09-7.04515305E-13 2 --1.85994022E+04-2.24591977E+02-1.02538597E+01 2.61993632E-01-8.73990844E-05 3 --6.45399332E-08 4.01227978E-11-3.90491958E+01 1.01107447E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C10H12L(307) C 10H 12 G 100.000 5000.000 1054.34 1 - 4.32426324E+01 1.29003761E-01-5.23476746E-05 9.81631649E-09-6.94021279E-13 2 --7.66140816E+02-1.88955834E+02-8.48136992E+00 2.27334262E-01-5.29562429E-05 3 --7.78704657E-08 4.09810636E-11 1.55823333E+04 8.91250401E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-CdsHH) + ring(Cyclopentene) + ring(3-Methylenecyclopentene) -C12H16(308) C 12H 16 G 100.000 5000.000 973.93 1 - 2.47896556E+01 4.92569612E-02-1.77262251E-05 3.34919676E-09-2.47862163E-13 2 - 4.79890772E+03-1.06726844E+02-6.96750795E-01 6.86591236E-02 8.37234371E-05 3 --1.55992310E-07 6.37298489E-11 1.38075240E+04 3.63194390E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) -C12H16(309) C 12H 16 G 100.000 5000.000 1007.90 1 - 2.01685406E+01 5.76924436E-02-2.27934757E-05 4.31989249E-09-3.11426264E-13 2 - 8.31377843E+03-8.04000555E+01-6.85203365E-01 7.59088552E-02 4.61534421E-05 3 --1.04820152E-07 4.25190020E-11 1.57959363E+04 3.66350417E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C13H20R(310) C 13H 20 G 100.000 5000.000 1091.31 1 - 5.04813045E+01 1.53836435E-01-6.32627676E-05 1.18373053E-08-8.31277744E-13 2 --2.82779548E+04-2.25616322E+02-1.12013093E+01 2.82936615E-01-1.07401948E-04 3 --4.26356601E-08 3.03034765E-11-9.03970541E+03 1.03816805E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(RCCJC) -C9H13(311) C 9H 13 G 100.000 5000.000 1020.42 1 - 1.52751021E+01 4.48755251E-02-1.75873483E-05 3.26476702E-09-2.30779405E-13 2 - 2.00474614E+04-4.90015136E+01 2.48245644E-01 6.57148136E-02 7.73406415E-06 3 --4.98347311E-08 2.17345665E-11 2.50960097E+04 3.35088366E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C9H13(312) C 9H 13 G 100.000 5000.000 975.61 1 - 1.50453950E+01 4.44172801E-02-1.64120137E-05 3.12448791E-09-2.31051489E-13 2 - 1.07468493E+04-6.29402923E+01 1.47644945E+00 2.62858363E-02 1.24876973E-04 3 --1.70920810E-07 6.42267959E-11 1.69049497E+04 2.01782574E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s3_5_6_ane) - -! ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + radical(cyclopentene-4) -C9H13(313) C 9H 13 G 100.000 5000.000 993.35 1 - 1.38864816E+01 4.43859201E-02-1.69449497E-05 3.18051734E-09-2.29181922E-13 2 - 1.61216173E+04-4.99309158E+01 1.03151087E+00 4.40857005E-02 6.21277556E-05 3 --1.02651337E-07 3.96851728E-11 2.12442220E+04 2.49306389E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + Estimated bicyclic component: -! polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + radical(cyclopentene-4) -C9H12L(314) C 9H 12 G 100.000 5000.000 1115.22 1 - 4.32555984E+01 1.24524214E-01-5.12105081E-05 9.55202957E-09-6.68057437E-13 2 --9.07274619E+03-1.86791074E+02-8.78856957E+00 2.40726590E-01-1.12726488E-04 3 --1.03325165E-08 1.64906218E-11 6.91738784E+03 8.96138009E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) -! + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) -C12H16R2(315) C 12H 16 G 100.000 5000.000 1413.35 1 - 8.33996824E+01 2.14296151E-01-8.82038371E-05 1.61043146E-08-1.09867304E-12 2 --4.59728806E+04-3.65606215E+02-2.10361373E+01 5.09865154E-01-4.01893034E-04 3 - 1.64068879E-07-2.72712897E-11-1.64519490E+04 1.74367358E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + -! radical(Tertalkyl) -C10H14R(316) C 10H 14 G 100.000 5000.000 1599.31 1 - 5.21435275E+01 1.22747800E-01-4.95840363E-05 8.87931988E-09-5.94684328E-13 2 --1.13420894E+04-2.28013417E+02-1.01072499E+01 2.78444805E-01-1.95615690E-04 3 - 6.97532343E-08-1.01105154E-11 8.56919559E+03 1.01540673E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs- -! CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + ring(Cyclopentene) -C12H15R(317) C 12H 15 G 100.000 5000.000 1037.14 1 - 5.30029988E+01 1.30970986E-01-5.27686498E-05 9.95357841E-09-7.09794145E-13 2 --1.88368065E+04-2.37419592E+02-1.02222875E+01 2.57296870E-01-6.55076470E-05 3 --9.11087628E-08 4.99854435E-11 5.98459052E+02 1.00382516E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C10H15R2(318) C 10H 15 G 100.000 5000.000 1355.88 1 - 6.48923760E+01 2.34027846E-01-1.00205863E-04 1.86439044E-08-1.28584006E-12 2 --3.64309755E+04-2.62779005E+02-1.83551748E+01 4.79622119E-01-3.71910014E-04 3 - 1.52239393E-07-2.59189122E-11-1.38566552E+04 1.64185540E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C12H16R2(319) C 12H 16 G 100.000 5000.000 1364.97 1 - 7.32568163E+01 2.31629150E-01-9.81770621E-05 1.81902836E-08-1.25200381E-12 2 --4.04290027E+04-3.08010365E+02-1.99203422E+01 5.04682678E-01-3.98243478E-04 3 - 1.64746576E-07-2.80944949E-11-1.49922821E+04 1.70505691E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(4-Methylenecyclopentene) -C12H15R(320) C 12H 15 G 100.000 5000.000 1108.27 1 - 4.81156341E+01 1.38572670E-01-5.67697519E-05 1.05703338E-08-7.38941725E-13 2 --1.58714263E+04-2.08210153E+02-1.03563684E+01 2.70387581E-01-1.27948988E-04 3 --1.11141812E-08 1.87027144E-11 1.95448798E+03 1.01844708E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs- -! CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentene) -C12H15R(321) C 12H 15 G 100.000 5000.000 1084.96 1 - 4.96521104E+01 1.37352066E-01-5.66937498E-05 1.06617199E-08-7.52027632E-13 2 --1.58912542E+04-2.18311953E+02-1.02895188E+01 2.65324082E-01-1.05017405E-04 3 --3.86667868E-08 2.88228288E-11 2.59041064E+03 1.00990072E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(Cyclopentadiene) -C12H15R(322) C 12H 15 G 100.000 5000.000 1120.49 1 - 5.42122866E+01 1.28875703E-01-5.18517778E-05 9.55320308E-09-6.63627486E-13 2 --1.35104046E+04-2.34993590E+02-1.15586144E+01 2.97943860E-01-1.90196864E-04 3 - 3.95153832E-08 4.33150337E-12 5.35460832E+03 1.08206578E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C12H15(323) C 12H 15 G 100.000 5000.000 1005.93 1 - 1.99691331E+01 5.57266573E-02-2.21085282E-05 4.21295591E-09-3.05142957E-13 2 - 2.35092301E+04-8.06598604E+01-4.75292206E-01 7.08271976E-02 5.40813811E-05 3 --1.11697701E-07 4.47594763E-11 3.09714893E+04 3.47404626E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_S) -C10H12R(324) C 10H 12 G 100.000 5000.000 1130.09 1 - 4.77019309E+01 1.23395173E-01-5.04768003E-05 9.36410953E-09-6.52167136E-13 2 --1.01110988E+02-2.02457405E+02-9.82525317E+00 2.62964078E-01-1.50713493E-04 3 - 1.83423061E-08 8.45680674E-12 1.69910304E+04 1.00209205E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C6H11L(325) C 6H 11 G 100.000 5000.000 1564.42 1 - 4.51550659E+01 1.08747733E-01-4.37801313E-05 7.84222614E-09-5.26095308E-13 2 --4.13707398E+04-1.93993006E+02-8.39137388E+00 2.45659418E-01-1.75055031E-04 3 - 6.37845315E-08-9.46594652E-12-2.46170421E+04 8.83000510E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_P) -C11H14L(326) C 11H 14 G 100.000 5000.000 1159.19 1 - 5.18748785E+01 1.26696372E-01-5.13420989E-05 9.44350661E-09-6.53110687E-13 2 --5.86660295E+03-2.23260987E+02-1.09859061E+01 2.87295795E-01-1.86288626E-04 3 - 4.51442470E-08 6.85840546E-13 1.24903709E+04 1.05611282E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C11H14L(327) C 11H 14 G 100.000 5000.000 1075.65 1 - 4.49249188E+01 1.36362759E-01-5.55793534E-05 1.03808249E-08-7.29615532E-13 2 --5.99637189E+03-1.97149095E+02-9.37889537E+00 2.47891166E-01-8.50291790E-05 3 --4.95066735E-08 3.13503350E-11 1.09163560E+04 9.31079970E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) + radical(RCCJCC) -C8H10L(328) C 8H 10 G 100.000 5000.000 1675.70 1 - 5.27704388E+01 1.02196603E-01-3.99298263E-05 6.99685757E-09-4.61051195E-13 2 --5.13240004E+03-2.35397875E+02-9.19178974E+00 2.50105757E-01-1.72331765E-04 3 - 5.96726547E-08-8.31990404E-12 1.56334155E+04 9.55202689E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + ring(4-Methylenecyclopentene) + ring(Cyclopentadiene) -C11H12(329) C 11H 12 G 100.000 5000.000 1008.47 1 - 1.85648707E+01 4.58099841E-02-1.81614924E-05 3.45360165E-09-2.49647913E-13 2 - 2.58534430E+04-7.36586571E+01-5.38207094E-02 6.66753725E-02 2.96109196E-05 3 --8.02238899E-08 3.34087031E-11 3.23030057E+04 2.96810218E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -C7H13R(330) C 7H 13 G 100.000 5000.000 1544.24 1 - 4.58719794E+01 1.17378589E-01-4.76702753E-05 8.58413912E-09-5.78023397E-13 2 --4.43856574E+04-1.95737042E+02-8.93351030E+00 2.59341587E-01-1.85568136E-04 3 - 6.81170857E-08-1.02160583E-11-2.74593217E+04 9.24817526E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -! + ring(Cyclopentadiene) -C11H14(331) C 11H 14 G 100.000 5000.000 1021.14 1 - 2.12456556E+01 4.70248661E-02-1.84733261E-05 3.45361092E-09-2.45834564E-13 2 - 1.89080008E+04-8.16848650E+01-1.02019676E+00 9.02205422E-02-1.72569008E-05 3 --3.95602614E-08 2.06213940E-11 2.57505646E+04 3.74394582E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(Cyclopentene) + -! radical(Tertalkyl) -C9H14L(332) C 9H 14 G 100.000 5000.000 1636.21 1 - 5.01365679E+01 1.21884142E-01-4.93876034E-05 8.83774658E-09-5.90702002E-13 2 --2.18242154E+04-2.19086918E+02-9.50360995E+00 2.67685012E-01-1.83051024E-04 3 - 6.32983572E-08-8.91185889E-12-2.30745497E+03 9.80082180E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C10H12R(333) C 10H 12 G 100.000 5000.000 1060.88 1 - 4.25509224E+01 1.30055873E-01-5.29997522E-05 9.94139808E-09-7.02123682E-13 2 --8.54507959E+02-1.84121046E+02-8.42457175E+00 2.26839404E-01-5.49303628E-05 3 --7.36270764E-08 3.89703434E-11 1.53306672E+04 9.01252889E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C12H15R(334) C 12H 15 G 100.000 5000.000 1539.92 1 - 5.82560822E+01 1.24090994E-01-4.98545697E-05 8.94198204E-09-6.01151929E-13 2 --1.46526618E+04-2.58637641E+02-1.16163917E+01 3.05590010E-01-2.26651084E-04 3 - 8.54823603E-08-1.30273644E-11 6.86662888E+03 1.08621714E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C12H16(335) C 12H 16 G 100.000 5000.000 987.69 1 - 2.55240701E+01 4.88991352E-02-1.80842092E-05 3.35080133E-09-2.40923780E-13 2 - 1.09066476E+04-1.05324651E+02-1.64577209E+00 9.79805587E-02-5.57506257E-08 3 --7.12992108E-08 3.44691658E-11 1.92467773E+04 4.04681327E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C12H15R(336) C 12H 15 G 100.000 5000.000 1146.49 1 - 5.39873442E+01 1.29318049E-01-5.22142853E-05 9.60472687E-09-6.65088805E-13 2 --1.43055996E+04-2.33764440E+02-1.15486277E+01 2.98209194E-01-1.94997096E-04 3 - 4.71673406E-08 1.05782307E-12 4.64904415E+03 1.08495741E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) + radical(cyclopentene-allyl) -C12H15(337) C 12H 15 G 100.000 5000.000 975.24 1 - 2.51290982E+01 4.66032349E-02-1.69170514E-05 3.22305879E-09-2.39926747E-13 2 - 1.95086353E+04-1.08307792E+02-6.46329897E-01 6.78208095E-02 8.04202977E-05 3 --1.52164422E-07 6.23694308E-11 2.85545001E+04 3.59998043E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C9H13R(338) C 9H 13 G 100.000 5000.000 1489.79 1 - 5.20685775E+01 1.15355757E-01-4.61744210E-05 8.28823591E-09-5.58615238E-13 2 --2.25586072E+04-2.24828598E+02-1.03261448E+01 2.82885313E-01-2.14855469E-04 3 - 8.37728820E-08-1.32258618E-11-3.96797064E+03 1.01061358E+02 4 - -! Thermo library: DFT_QCI_thermo -[CH2]C(C)C(399) C 4H 9 G 100.000 5000.000 997.97 1 - 8.64397302E+00 2.40460607E-02-8.94850823E-06 1.61678839E-09-1.12732280E-13 2 - 4.65773611E+03-1.92473583E+01 2.22524562E+00 3.09739517E-02 8.89462565E-06 3 --2.91784755E-08 1.23302343E-11 6.87502937E+03 1.63965282E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C5H8LR(1393) C 5H 8 G 100.000 5000.000 1506.41 1 - 7.04405345E+01 1.84501764E-01-7.60390724E-05 1.38235083E-08-9.37298334E-13 2 --5.87975081E+04-3.06417139E+02-1.65446058E+01 4.15475658E-01-3.06030682E-04 3 - 1.15607287E-07-1.78291172E-11-3.25905131E+04 1.48876038E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) -C6H9R(1802) C 6H 9 G 100.000 5000.000 1504.36 1 - 4.56288208E+01 1.02399356E-01-4.10414092E-05 7.36453329E-09-4.95919636E-13 2 --2.66447750E+04-1.95634607E+02-8.45753100E+00 2.46211293E-01-1.84436224E-04 3 - 7.09107125E-08-1.10562306E-11-1.03716699E+04 8.73880072E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + radical(Allyl_P) -C4H6L(1895) C 4H 6 G 100.000 5000.000 1593.00 1 - 4.33849203E+01 9.02594348E-02-3.59592663E-05 6.39964638E-09-4.27254132E-13 2 --1.41722103E+04-1.86001744E+02-7.19621921E+00 2.17267987E-01-1.55553045E-04 3 - 5.64493714E-08-8.28189023E-12 1.94293555E+03 8.15745401E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C10H17LR(3394) C 10H 17 G 100.000 5000.000 1363.67 1 - 6.24274804E+01 2.43819760E-01-1.04889278E-04 1.95421835E-08-1.34811735E-12 2 --4.89368677E+04-2.48596878E+02-1.81952219E+01 4.80304532E-01-3.65013191E-04 3 - 1.46709310E-07-2.46612538E-11-2.69480688E+04 1.65369479E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C13H22R(4080) C 13H 22 G 100.000 5000.000 1332.73 1 - 4.39596099E+01 1.70901018E-01-7.31500645E-05 1.36090236E-08-9.38831369E-13 2 --2.31905448E+04-1.69217107E+02-1.15783035E+01 3.37588221E-01-2.60755850E-04 3 - 1.07453276E-07-1.85423869E-11-8.38696172E+03 1.14674001E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C13H22R(4084) C 13H 22 G 100.000 5000.000 1332.73 1 - 4.39596099E+01 1.70901018E-01-7.31500645E-05 1.36090236E-08-9.38831369E-13 2 --2.33666715E+04-1.69061109E+02-1.15783035E+01 3.37588221E-01-2.60755850E-04 3 - 1.07453276E-07-1.85423869E-11-8.56308836E+03 1.14829999E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C12H20L(4086) C 12H 20 G 100.000 5000.000 1343.09 1 - 4.30824334E+01 1.62449426E-01-6.93276915E-05 1.28773105E-08-8.87402565E-13 2 --2.00726048E+04-1.66504198E+02-1.09928942E+01 3.23495845E-01-2.49187554E-04 3 - 1.02153351E-07-1.75049472E-11-5.54689940E+03 1.10329126E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + longDistanceInteraction_noncyclic(CsCs- -! ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) -! + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C12H20L(4090) C 12H 20 G 100.000 5000.000 1343.09 1 - 4.30824334E+01 1.62449426E-01-6.93276915E-05 1.28773105E-08-8.87402565E-13 2 --2.02487314E+04-1.66348200E+02-1.09928942E+01 3.23495845E-01-2.49187554E-04 3 - 1.02153351E-07-1.75049472E-11-5.72302604E+03 1.10485123E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! radical(Allyl_S) -C11H17(10750) C 11H 17 G 100.000 5000.000 1601.19 1 - 2.58295759E+01 4.89505741E-02-1.88549890E-05 3.29397577E-09-2.17446350E-13 2 - 1.03965880E+04-1.04978784E+02-2.24034181E+00 1.19072833E-01-8.45453911E-05 3 - 3.06444856E-08-4.48776418E-12 1.93856913E+04 4.36563281E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -C11H16(11277) C 11H 16 G 100.000 5000.000 1026.62 1 - 2.41123630E+01 4.75163161E-02-1.80710165E-05 3.29081900E-09-2.29949498E-13 2 - 8.59125855E+03-9.33322142E+01-1.99468620E+00 1.13682283E-01-6.27979854E-05 3 --1.39849878E-09 9.12678741E-12 1.58253001E+04 4.24303360E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C11H16(11279) C 11H 16 G 100.000 5000.000 1416.23 1 - 2.25806209E+01 5.10604373E-02-2.03479997E-05 3.65395552E-09-2.46928357E-13 2 - 1.10823225E+04-8.47992166E+01-1.97929174E+00 1.20427950E-01-9.38191258E-05 3 - 3.82395107E-08-6.35218711E-12 1.80387698E+04 4.22347999E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) -C11H16(11281) C 11H 16 G 100.000 5000.000 1026.62 1 - 2.41123630E+01 4.75163161E-02-1.80710165E-05 3.29081900E-09-2.29949498E-13 2 - 8.41513191E+03-9.31762163E+01-1.99468620E+00 1.13682283E-01-6.27979854E-05 3 --1.39849878E-09 9.12678741E-12 1.56491735E+04 4.25863339E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C6H8(18175) C 6H 8 G 100.000 5000.000 976.45 1 - 1.04853132E+01 2.62591571E-02-9.74924893E-06 1.87425933E-09-1.39653237E-13 2 - 1.02062581E+04-3.14551027E+01 2.60889969E+00 1.24234330E-02 8.23239180E-05 3 --1.09339225E-07 4.07134457E-11 1.39422331E+04 1.76102655E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(RCCJCC) -C9H12R(18180) C 9H 12 G 100.000 5000.000 1619.34 1 - 5.17654012E+01 1.13605856E-01-4.55417506E-05 8.11530095E-09-5.41505749E-13 2 --7.65465181E+03-2.25468757E+02-9.60062410E+00 2.65188157E-01-1.85952470E-04 3 - 6.59208479E-08-9.46572093E-12 1.22199063E+04 1.00166616E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) + radical(RCCJCC) -C9H12R(18184) C 9H 12 G 100.000 5000.000 1653.13 1 - 5.33683416E+01 1.10951147E-01-4.38625216E-05 7.74428228E-09-5.13172696E-13 2 --8.06556517E+03-2.36414571E+02-9.71117762E+00 2.63583675E-01-1.82358476E-04 3 - 6.35970320E-08-8.95979935E-12 1.27898884E+04 9.96150232E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Isobutyl) -C9H13(18191) C 9H 13 G 100.000 5000.000 967.36 1 - 1.89018054E+01 3.80719362E-02-1.32314365E-05 2.39113636E-09-1.71116684E-13 2 - 1.92551335E+04-6.97045594E+01 1.10763756E-01 6.43397789E-02 2.57885721E-05 3 --7.94609819E-08 3.51861426E-11 2.52971778E+04 3.27662510E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Isobutyl) -C9H13(18194) C 9H 13 G 100.000 5000.000 962.38 1 - 1.86029440E+01 3.82445716E-02-1.30270811E-05 2.34305353E-09-1.68045391E-13 2 - 1.97970407E+04-6.96566514E+01 2.66671340E-01 5.98558502E-02 3.83916085E-05 3 --9.22289816E-08 3.97135126E-11 2.58548381E+04 3.12388617E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentadiene) + radical(RCCJCC) -C8H10L(18195) C 8H 10 G 100.000 5000.000 1640.87 1 - 5.11295546E+01 1.04888977E-01-4.16210545E-05 7.36918977E-09-4.89405441E-13 2 --4.69456631E+03-2.24218767E+02-9.07407869E+00 2.51646775E-01-1.75777313E-04 3 - 6.18744193E-08-8.79358391E-12 1.50630344E+04 9.60444185E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Cs_S) -C9H12R(18224) C 9H 12 G 100.000 5000.000 1211.07 1 - 4.71305456E+01 1.20321011E-01-4.91774548E-05 9.03393075E-09-6.21868195E-13 2 --5.61762851E+03-1.98872491E+02-9.64095973E+00 2.61224216E-01-1.65972338E-04 3 - 4.15510339E-08-7.74890147E-13 1.15510104E+04 9.99997896E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Cs_S) -C9H12R(18225) C 9H 12 G 100.000 5000.000 1211.07 1 - 4.71305456E+01 1.20321011E-01-4.91774548E-05 9.03393075E-09-6.21868195E-13 2 --5.21505334E+03-1.98872491E+02-9.64095973E+00 2.61224216E-01-1.65972338E-04 3 - 4.15510339E-08-7.74890147E-13 1.19535855E+04 9.99997896E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) + radical(Tertalkyl) -C13H20R(18248) C 13H 20 G 100.000 5000.000 1565.04 1 - 5.67016011E+01 1.44503695E-01-5.88244035E-05 1.05923648E-08-7.12624714E-13 2 --2.17313907E+04-2.47450663E+02-1.20060982E+01 3.20110238E-01-2.27133368E-04 3 - 8.22877637E-08-1.21652906E-11-2.25367688E+02 1.14799113E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds- -! Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + ring(3-Methylenecyclopentene) + radical(Tertalkyl) -C12H18L(18253) C 12H 18 G 100.000 5000.000 1582.02 1 - 5.60165287E+01 1.35832099E-01-5.49157544E-05 9.84687935E-09-6.60447286E-13 2 --1.87351166E+04-2.45895518E+02-1.14672541E+01 3.06458465E-01-2.16695496E-04 3 - 7.80210103E-08-1.14336877E-11 2.61708596E+03 1.10629907E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + ring(Cyclopentadiene) -C9H11R(18275) C 9H 11 G 100.000 5000.000 1100.71 1 - 4.64039004E+01 1.17970498E-01-4.78584958E-05 8.88283769E-09-6.20699043E-13 2 --1.31586803E+04-1.98475872E+02-9.30771329E+00 2.52217829E-01-1.37851914E-04 3 - 7.09038179E-09 1.25733071E-11 3.23780736E+03 9.44160767E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) -! + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C9H11R(18276) C 9H 11 G 100.000 5000.000 1120.57 1 - 4.59016995E+01 1.18851921E-01-4.84613148E-05 8.98895501E-09-6.26555569E-13 2 --1.34989501E+04-1.93193131E+02-9.27435806E+00 2.52234080E-01-1.41906101E-04 3 - 1.39531954E-08 9.56129435E-12 2.85828331E+03 9.70906588E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C10H13R(18278) C 10H 13 G 100.000 5000.000 1155.88 1 - 4.92133572E+01 1.23539073E-01-5.01080559E-05 9.22385183E-09-6.38276783E-13 2 --1.84032366E+04-2.10783884E+02-1.02918895E+01 2.73684904E-01-1.72572989E-04 3 - 3.81102530E-08 2.14318899E-12-9.21043564E+02 1.01032197E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C10H13R(18279) C 10H 13 G 100.000 5000.000 1613.90 1 - 5.39553562E+01 1.17522867E-01-4.72316512E-05 8.43232335E-09-5.63439253E-13 2 --1.90712730E+04-2.40045239E+02-1.01722637E+01 2.76461599E-01-1.94953806E-04 3 - 6.94532790E-08-1.00158731E-11 1.62778045E+03 1.00028189E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) -! + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C10H13R(18280) C 10H 13 G 100.000 5000.000 1128.24 1 - 4.80453185E+01 1.25097114E-01-5.06656443E-05 9.34950674E-09-6.49232783E-13 2 --1.74640625E+04-2.05781422E+02-1.00744175E+01 2.68567094E-01-1.58203715E-04 3 - 2.37274726E-08 7.05901695E-12-3.66163154E+02 9.92780196E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C10H13R(18281) C 10H 13 G 100.000 5000.000 1193.97 1 - 4.93723967E+01 1.23391695E-01-5.01553629E-05 9.20507471E-09-6.34159745E-13 2 --1.95584116E+04-2.11603207E+02-1.02961800E+01 2.74077575E-01-1.77635937E-04 3 - 4.58628895E-08-1.08128008E-12-1.80203794E+03 1.01531430E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C10H13R(18282) C 10H 13 G 100.000 5000.000 1620.64 1 - 5.25981785E+01 1.19781038E-01-4.85964656E-05 8.71291333E-09-5.83422748E-13 2 --1.95291565E+04-2.32211815E+02-9.92129122E+00 2.74089076E-01-1.91417798E-04 3 - 6.74638905E-08-9.64634752E-12 7.35162295E+02 9.95942330E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C10H13R(18283) C 10H 13 G 100.000 5000.000 1154.95 1 - 4.78082674E+01 1.25563905E-01-5.10437234E-05 9.40494946E-09-6.51033517E-13 2 --1.84317050E+04-2.04330720E+02-1.00559197E+01 2.68730723E-01-1.62644723E-04 3 - 3.09137723E-08 3.98155840E-12-1.24821734E+03 9.96927705E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Tertalkyl) -C10H14R(18285) C 10H 14 G 100.000 5000.000 1587.35 1 - 5.31776111E+01 1.20993560E-01-4.87198188E-05 8.71779440E-09-5.83932265E-13 2 --1.28219333E+04-2.33344630E+02-1.03003126E+01 2.80951512E-01-1.99874020E-04 3 - 7.22000124E-08-1.05819806E-11 7.33059684E+03 1.02231256E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C9H12(18323) C 9H 12 G 100.000 5000.000 982.75 1 - 1.89107369E+01 3.63666451E-02-1.34842993E-05 2.54168536E-09-1.85861696E-13 2 - 1.08194105E+04-7.16306909E+01 3.53787107E-01 5.77874217E-02 3.64101363E-05 3 --8.73313299E-08 3.69291821E-11 1.70797398E+04 3.08670946E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C12H16(18374) C 12H 16 G 100.000 5000.000 994.19 1 - 2.58641648E+01 4.86583387E-02-1.82500544E-05 3.38992408E-09-2.43260380E-13 2 - 1.05229069E+04-1.05761894E+02-1.80514980E+00 1.02500634E-01-1.27586425E-05 3 --5.84483996E-08 2.99306817E-11 1.88653955E+04 4.18522470E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C12H16(18375) C 12H 16 G 100.000 5000.000 1065.20 1 - 2.14584708E+01 5.64251710E-02-2.26412480E-05 4.20340675E-09-2.94843321E-13 2 - 1.43524559E+04-8.23038040E+01-1.68546041E+00 1.05780150E-01-3.92583659E-05 3 --1.84948383E-08 1.28005365E-11 2.14135685E+04 4.08147701E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C12H16(18376) C 12H 16 G 100.000 5000.000 987.70 1 - 2.55244095E+01 4.88985567E-02-1.80838750E-05 3.35072229E-09-2.40917219E-13 2 - 1.10826320E+04-1.05482559E+02-1.64585932E+00 9.79816089E-02-5.95105135E-08 3 --7.12942373E-08 3.44670116E-11 1.94229077E+04 4.03124461E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C12H16(18377) C 12H 16 G 100.000 5000.000 1064.39 1 - 2.27412836E+01 5.46812825E-02-2.18684916E-05 4.05537676E-09-2.84435377E-13 2 - 1.37630057E+04-8.81211193E+01-1.91107798E+00 1.10723975E-01-4.92659731E-05 3 --1.10919254E-08 1.08615853E-11 2.10842727E+04 4.20901403E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C12H16(18378) C 12H 16 G 100.000 5000.000 1746.41 1 - 2.51065848E+01 5.23259740E-02-2.09531788E-05 3.70200237E-09-2.44413123E-13 2 - 1.42272291E+04-1.03747827E+02-1.82618201E+00 1.14011909E-01-7.39344784E-05 3 - 2.39264440E-08-3.13950094E-12 2.36345460E+04 4.12044315E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C12H16(18379) C 12H 16 G 100.000 5000.000 1044.58 1 - 2.22120224E+01 5.52291776E-02-2.18738543E-05 4.05569310E-09-2.85308057E-13 2 - 1.44072610E+04-8.67655149E+01-1.73729761E+00 1.06055197E-01-3.61525961E-05 3 --2.42984814E-08 1.54676510E-11 2.16411404E+04 4.04970666E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C12H16(18380) C 12H 16 G 100.000 5000.000 994.19 1 - 2.58641648E+01 4.86583387E-02-1.82500544E-05 3.38992408E-09-2.43260380E-13 2 - 1.03467803E+04-1.05605896E+02-1.80514980E+00 1.02500634E-01-1.27586425E-05 3 --5.84483996E-08 2.99306817E-11 1.86892689E+04 4.20082449E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C12H16(18381) C 12H 16 G 100.000 5000.000 1065.19 1 - 2.14582827E+01 5.64254830E-02-2.26414247E-05 4.20344794E-09-2.94846704E-13 2 - 1.41764110E+04-8.21467419E+01-1.68542522E+00 1.05779742E-01-3.92569743E-05 3 --1.84965754E-08 1.28012432E-11 2.12374404E+04 4.09706415E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C12H15(18389) C 12H 15 G 100.000 5000.000 976.80 1 - 2.49169225E+01 4.70727356E-02-1.72198263E-05 3.28435118E-09-2.44159627E-13 2 - 1.94402804E+04-1.07192060E+02-6.44708514E-01 6.80809119E-02 7.89998703E-05 3 --1.50073243E-07 6.14483047E-11 2.84255031E+04 3.59594958E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C12H15(18406) C 12H 15 G 100.000 5000.000 976.80 1 - 2.49169225E+01 4.70727356E-02-1.72198263E-05 3.28435118E-09-2.44159627E-13 2 - 1.94402804E+04-1.07192060E+02-6.44708514E-01 6.80809119E-02 7.89998703E-05 3 --1.50073243E-07 6.14483047E-11 2.84255031E+04 3.59594958E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(4-Methylenecyclopentene) -C9H11L(18430) C 9H 11 G 100.000 5000.000 1643.33 1 - 5.37498096E+01 1.08300794E-01-4.31602818E-05 7.66032901E-09-5.09433390E-13 2 --1.57734547E+04-2.40519974E+02-9.64935202E+00 2.62621401E-01-1.84022850E-04 3 - 6.48061877E-08-9.20314422E-12 5.06344450E+03 9.68355008E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds- -! CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + ring(3-Methylenecyclopentene) -C9H11L(18431) C 9H 11 G 100.000 5000.000 1104.74 1 - 4.58634107E+01 1.18882489E-01-4.81921627E-05 8.93248440E-09-6.23316871E-13 2 --1.32040565E+04-1.94882349E+02-9.26341425E+00 2.51620482E-01-1.37636088E-04 3 - 8.12267405E-09 1.19578139E-11 3.05625667E+03 9.50304747E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(Cyclopentadiene) -C10H14(18433) C 10H 14 G 100.000 5000.000 1004.23 1 - 2.00189391E+01 4.46552536E-02-1.72332688E-05 3.22518985E-09-2.31128747E-13 2 - 5.84613587E+03-7.65618667E+01-5.02832745E-01 7.79261113E-02 5.46965077E-06 3 --5.99087252E-08 2.74507771E-11 1.24119365E+04 3.46993551E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(4-Methylenecyclopentene) -C10H14(18434) C 10H 14 G 100.000 5000.000 1104.72 1 - 1.58799143E+01 5.20019594E-02-2.13955528E-05 3.98686348E-09-2.78553542E-13 2 - 9.55229348E+03-5.46267039E+01-3.80853622E-01 8.11344282E-02-2.05639011E-05 3 --2.08880192E-08 1.08663274E-11 1.49600590E+04 3.36565048E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) -C10H14(18435) C 10H 14 G 100.000 5000.000 995.84 1 - 1.96664464E+01 4.49160723E-02-1.70785393E-05 3.18861918E-09-2.28999269E-13 2 - 6.41156017E+03-7.62101610E+01-3.43463094E-01 7.34085282E-02 1.81513153E-05 3 --7.27115274E-08 3.19587500E-11 1.29694436E+04 3.31591252E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Tertalkyl) -C10H15(18437) C 10H 15 G 100.000 5000.000 1105.02 1 - 1.65677738E+01 5.31368200E-02-2.16061448E-05 3.99738422E-09-2.78086561E-13 2 - 1.49416565E+04-5.62845145E+01-6.38251526E-01 8.67305931E-02-2.82638699E-05 3 --1.54809166E-08 9.44415760E-12 2.04958531E+04 3.63684688E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! Cds(Cds-Cds)H) + ring(Cyclopentadiene) + radical(Allyl_P) -C11H15(18454) C 11H 15 G 100.000 5000.000 986.12 1 - 2.37160029E+01 4.54417144E-02-1.69135505E-05 3.16537039E-09-2.29574937E-13 2 - 1.93118597E+04-9.43665403E+01-9.94804424E-01 8.36558012E-02 1.92975989E-05 3 --8.50925192E-08 3.83140576E-11 2.72009870E+04 3.97933968E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + -! ring(3-Methylenecyclopentene) + radical(Allyl_S) -C11H15(18464) C 11H 15 G 100.000 5000.000 1007.03 1 - 2.03808178E+01 5.09200717E-02-1.98853365E-05 3.73803228E-09-2.68183194E-13 2 - 2.04322186E+04-7.90356222E+01-7.02912044E-01 7.98174957E-02 1.87694122E-05 3 --7.59368722E-08 3.29382598E-11 2.74597578E+04 3.66375166E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- -! Cds)H) + ring(Cyclopentadiene) + ring(Cyclopentene) + radical(cyclopentene-allyl) -C11H13(18468) C 11H 13 G 100.000 5000.000 966.76 1 - 2.39294792E+01 3.85838366E-02-1.33574103E-05 2.57440106E-09-1.96720943E-13 2 - 2.43611610E+04-1.02943864E+02 1.99007300E-01 4.80837913E-02 1.09505615E-04 3 --1.77040335E-07 7.07890794E-11 3.30938673E+04 3.21741197E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C10H13R(18540) C 10H 13 G 100.000 5000.000 1622.68 1 - 5.43810019E+01 1.17023216E-01-4.70833089E-05 8.40685416E-09-5.61560093E-13 2 --1.87306299E+04-2.41742038E+02-1.01753639E+01 2.76157993E-01-1.94186600E-04 3 - 6.88430560E-08-9.87270754E-12 2.22028714E+03 1.00955659E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) -C12H16(18679) C 12H 16 G 100.000 5000.000 976.30 1 - 2.75366833E+01 4.62647066E-02-1.69245278E-05 3.28328506E-09-2.48086659E-13 2 - 3.99107131E+03-1.21969723E+02-8.49011537E-01 6.84798627E-02 9.34957204E-05 3 --1.70824612E-07 6.96114375E-11 1.40175161E+04 3.72575226E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) -C12H16(18680) C 12H 16 G 100.000 5000.000 977.49 1 - 2.50955566E+01 4.90730841E-02-1.79243955E-05 3.39586972E-09-2.50819691E-13 2 - 4.25381012E+03-1.06814824E+02-8.51768115E-01 7.31300967E-02 7.11786112E-05 3 --1.43321229E-07 5.92545799E-11 1.32498267E+04 3.78437846E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) -! + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) -C12H16(18717) C 12H 16 G 100.000 5000.000 977.49 1 - 2.50955566E+01 4.90730841E-02-1.79243955E-05 3.39586972E-09-2.50819691E-13 2 - 4.25381012E+03-1.06814824E+02-8.51768115E-01 7.31300967E-02 7.11786112E-05 3 --1.43321229E-07 5.92545799E-11 1.32498267E+04 3.78437846E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C12H16(18724) C 12H 16 G 100.000 5000.000 994.19 1 - 2.58641648E+01 4.86583387E-02-1.82500544E-05 3.38992408E-09-2.43260380E-13 2 - 1.05229069E+04-1.05761894E+02-1.80514980E+00 1.02500634E-01-1.27586425E-05 3 --5.84483996E-08 2.99306817E-11 1.88653955E+04 4.18522470E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-(Cds- -! Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(4-Methylenecyclopentene) -C12H16(18725) C 12H 16 G 100.000 5000.000 1065.20 1 - 2.14584708E+01 5.64251710E-02-2.26412480E-05 4.20340675E-09-2.94843321E-13 2 - 1.43524559E+04-8.23038040E+01-1.68546041E+00 1.05780150E-01-3.92583659E-05 3 --1.84948383E-08 1.28005365E-11 2.14135685E+04 4.08147701E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)HHH) + group(Cds- -! Cds(Cds-Cds)Cs) + group(Cds-Cds(Cds-Cds)Cs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds- -! CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C12H16(18726) C 12H 16 G 100.000 5000.000 987.70 1 - 2.55244095E+01 4.88985567E-02-1.80838750E-05 3.35072229E-09-2.40917219E-13 2 - 1.10826320E+04-1.05482559E+02-1.64585932E+00 9.79816089E-02-5.95105135E-08 3 --7.12942373E-08 3.44670116E-11 1.94229077E+04 4.03124461E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds- -! Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) -C11H14(18772) C 11H 14 G 100.000 5000.000 967.17 1 - 2.41037012E+01 4.05916189E-02-1.40662385E-05 2.68692088E-09-2.03463760E-13 2 - 9.17656723E+03-1.02541747E+02-7.28085098E-03 5.31239455E-02 1.01715300E-04 3 --1.70326872E-07 6.86108245E-11 1.79181578E+04 3.40556402E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C9H13(20452) C 9H 13 G 100.000 5000.000 975.61 1 - 1.50453950E+01 4.44172801E-02-1.64120137E-05 3.12448791E-09-2.31051489E-13 2 - 1.07468493E+04-6.29402923E+01 1.47644945E+00 2.62858363E-02 1.24876973E-04 3 --1.70920810E-07 6.42267959E-11 1.69049497E+04 2.01782574E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) -! + group(Cds-CdsHH) + radical(Allyl_T) -C10H14L(20637) C 10H 14 G 100.000 5000.000 1532.83 1 - 5.49223871E+01 1.17159067E-01-4.61994520E-05 8.20671745E-09-5.48797917E-13 2 --1.10969149E+04-2.40232162E+02-1.08510352E+01 2.88798516E-01-2.14163003E-04 3 - 8.12584412E-08-1.24633345E-11 9.06694894E+03 1.05179340E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + radical(Allyl_T) -C11H14L(20661) C 11H 14 G 100.000 5000.000 1127.86 1 - 4.88667804E+01 1.30295180E-01-5.27979702E-05 9.74002742E-09-6.76107255E-13 2 --5.41867857E+03-2.07832706E+02-1.04534754E+01 2.75663320E-01-1.59665821E-04 3 - 2.18000398E-08 7.97932975E-12 1.20973896E+04 1.03822300E+02 4 - -! Thermo group additivity estimation: group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds- -! Cds)H) + group(Cds-Cds(Cds-Cds)H) + ring(Cyclopentene) + ring(Cyclopentadiene) + radical(cyclopentene-allyl) -C12H15(22038) C 12H 15 G 100.000 5000.000 976.69 1 - 2.51205609E+01 4.67447329E-02-1.71014146E-05 3.27013955E-09-2.43704299E-13 2 - 2.05714948E+04-1.06799180E+02-6.32369841E-01 6.73579780E-02 8.15635523E-05 3 --1.53031384E-07 6.25336831E-11 2.96493908E+04 3.75562024E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-Cds(Cds-Cds)Cs) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + -! group(Cds-CdsHH) + group(Cds-CdsHH) + ring(3-Methylenecyclopentene) -C10H13L(22766) C 10H 13 G 100.000 5000.000 1124.77 1 - 4.72177614E+01 1.26278136E-01-5.14114266E-05 9.51874225E-09-6.62396101E-13 2 --1.64048464E+04-2.00050598E+02-9.87042324E+00 2.63759419E-01-1.47352757E-04 3 - 1.45789678E-08 9.72749446E-12 5.83181868E+02 1.00508781E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) -C6H7R(24238) C 6H 7 G 100.000 5000.000 1618.41 1 - 4.92319464E+01 9.19050209E-02-3.59849141E-05 6.33977125E-09-4.20305990E-13 2 --2.25749089E+04-2.23107439E+02-8.32666906E+00 2.34165275E-01-1.67837330E-04 3 - 6.06535579E-08-8.81033265E-12-3.94429851E+03 8.22906301E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds- -! Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + longDistanceInteraction_noncyclic(CdCs-ST) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds- -! Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C9H12R2(24302) C 9H 12 G 100.000 5000.000 1451.65 1 - 7.78877883E+01 1.99789891E-01-8.22533062E-05 1.49915360E-08-1.02026044E-12 2 --4.63686083E+04-3.39754559E+02-1.90286409E+01 4.66841837E-01-3.58200101E-04 3 - 1.41719496E-07-2.28450871E-11-1.82308788E+04 1.63931964E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) -! + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + group(Cds-CdsHH) -C9H13R(24328) C 9H 13 G 100.000 5000.000 1411.65 1 - 4.16922572E+01 1.32939943E-01-5.62363472E-05 1.03859389E-08-7.12366357E-13 2 --1.68614102E+04-1.65814611E+02-9.13159504E+00 2.76952612E-01-2.09262299E-04 3 - 8.26540926E-08-1.35108966E-11-2.51231731E+03 9.69030704E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + group(Cs- -! CsCsCsH) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentadiene) + ring(Cyclopentene) -C12H15R(24501) C 12H 15 G 100.000 5000.000 1042.72 1 - 5.34606703E+01 1.30539367E-01-5.28281390E-05 9.96820661E-09-7.10137913E-13 2 --1.94491238E+04-2.38368595E+02-1.03887801E+01 2.61886030E-01-7.83750506E-05 3 --7.81696681E-08 4.54694451E-11 4.12699672E+01 1.01949057E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + ring(Cyclopentene) + ring(Cyclopentadiene) -C12H15R(24502) C 12H 15 G 100.000 5000.000 1052.56 1 - 5.14869298E+01 1.32458764E-01-5.32891925E-05 9.96474279E-09-7.04158252E-13 2 --1.92301561E+04-2.25775590E+02-1.04243045E+01 2.66625570E-01-1.00396436E-04 3 --5.14635454E-08 3.55628247E-11-5.96063722E+02 1.02688401E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + group(Cs-CsCsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s1_4_5_ene_1) + radical(cyclopentene-allyl) -C9H13(26444) C 9H 13 G 100.000 5000.000 1005.34 1 - 1.45205208E+01 4.77313085E-02-1.91631477E-05 3.67979294E-09-2.67704983E-13 2 - 1.84519619E+04-5.78210822E+01 9.73303731E-01 4.27648407E-02 7.60799804E-05 3 --1.17723174E-07 4.44058101E-11 2.41507423E+04 2.24039588E+01 4 - -! Thermo library: DFT_QCI_thermo -CC(C)C(29484) C 4H 10 G 100.000 5000.000 987.07 1 - 8.84796655E+00 2.61185538E-02-9.57943992E-06 1.72898565E-09-1.21009648E-13 2 --2.06283022E+04-2.38567537E+01 2.18597861E+00 3.04308348E-02 1.83404174E-05 3 --4.04112424E-08 1.64491188E-11-1.82080424E+04 1.37946297E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! Estimated bicyclic component: polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + -! radical(cyclopentene-4) -C8H10L(30673) C 8H 10 G 100.000 5000.000 1125.10 1 - 3.94995560E+01 1.19666496E-01-4.89072012E-05 9.06933072E-09-6.31310098E-13 2 --3.43448217E+03-1.65714493E+02-7.95308927E+00 2.25940198E-01-1.07357781E-04 3 --5.61652495E-09 1.35909933E-11 1.11947747E+04 8.63709272E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C8H10L(30674) C 8H 10 G 100.000 5000.000 1058.71 1 - 3.89684089E+01 1.22420645E-01-4.98837484E-05 9.35957622E-09-6.61267737E-13 2 --8.04753996E+03-1.69110529E+02-7.38422832E+00 2.06856934E-01-4.10196979E-05 3 --7.71351247E-08 3.88698273E-11 6.84996030E+03 8.11628566E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s2_5_5_ene_1) + radical(Tertalkyl) -C10H15(32869) C 10H 15 G 100.000 5000.000 1059.42 1 - 1.40167902E+01 5.88103687E-02-2.49768066E-05 4.79494017E-09-3.43025837E-13 2 - 1.17374774E+04-5.16820777E+01 2.96264424E-01 6.06398329E-02 4.31904811E-05 3 --8.26272020E-08 3.07939379E-11 1.74491188E+04 2.85394543E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C10H15(32871) C 10H 15 G 100.000 5000.000 982.24 1 - 1.88670560E+01 4.91735858E-02-1.86608631E-05 3.59499781E-09-2.66828995E-13 2 - 5.07738465E+03-8.43932536E+01 6.33311152E-01 4.11596222E-02 1.19211328E-04 3 --1.75252809E-07 6.69569806E-11 1.26279064E+04 2.34488474E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsCs) + group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -! + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C10H14R(33566) C 10H 14 G 100.000 5000.000 1056.43 1 - 4.50784083E+01 1.32984964E-01-5.43075562E-05 1.02209750E-08-7.24098821E-13 2 --1.84920470E+04-2.02426137E+02-8.91611438E+00 2.34637764E-01-5.26957452E-05 3 --8.28958202E-08 4.31064996E-11-1.34788715E+03 8.81776152E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C9H12R(34500) C 9H 12 G 100.000 5000.000 1056.94 1 - 4.11780874E+01 1.28356687E-01-5.21302175E-05 9.76696138E-09-6.89665106E-13 2 --1.27876366E+04-1.80526734E+02-8.06975435E+00 2.19737199E-01-4.69956979E-05 3 --7.85101762E-08 4.03050139E-11 2.92900942E+03 8.48947908E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s2_5_5_ene_1) + -! radical(Tertalkyl) -C11H15(35243) C 11H 15 G 100.000 5000.000 1052.75 1 - 1.44137484E+01 6.07268850E-02-2.52416560E-05 4.79259399E-09-3.40928773E-13 2 - 2.47132978E+04-4.97583684E+01 4.10989626E-02 6.62676391E-02 3.67795194E-05 3 --7.87582313E-08 3.00143532E-11 3.04585782E+04 3.32345718E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + polycyclic(s3_5_6_ene_5) -! + radical(Allyl_T) -C11H15(35245) C 11H 15 G 100.000 5000.000 977.63 1 - 1.93258694E+01 5.09936874E-02-1.88736444E-05 3.58095218E-09-2.63798485E-13 2 - 1.80242975E+04-8.28233145E+01 3.85944150E-01 4.66784751E-02 1.13266705E-04 3 --1.72121949E-07 6.65548650E-11 2.56370438E+04 2.81170649E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsHH) -C4H7L(36302) C 4H 7 G 100.000 5000.000 1595.43 1 - 4.02358500E+01 9.76264172E-02-3.96754688E-05 7.12836100E-09-4.78392997E-13 2 --3.13133246E+04-1.69077871E+02-6.82156892E+00 2.15604773E-01-1.50594954E-04 3 - 5.34763429E-08-7.74087522E-12-1.62976844E+04 7.99303982E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-(Cds-Cds)CsCsCs) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + -! group(Cs-(Cds-Cds)CsCsH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds- -! Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + -! group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + group(Cds-CdsHH) + radical(Tertalkyl) -C7H11L2(36342) C 7H 11 G 100.000 5000.000 1396.30 1 - 5.92438387E+01 2.19654288E-01-9.42932172E-05 1.75336995E-08-1.20725710E-12 2 --3.67317819E+04-2.36087130E+02-1.62884779E+01 4.36032317E-01-3.26740666E-04 3 - 1.28516043E-07-2.10780073E-11-1.56385836E+04 1.53527434E+02 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + -! group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! Estimated bicyclic component: polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + -! radical(cyclopentene-4) -C9H12R(38722) C 9H 12 G 100.000 5000.000 1117.87 1 - 4.16282225E+01 1.25728778E-01-5.12218916E-05 9.49206052E-09-6.60933093E-13 2 --8.13653128E+03-1.76666981E+02-8.63723430E+00 2.38814545E-01-1.13361703E-04 3 --6.88657509E-09 1.49527184E-11 7.27374890E+03 9.00972160E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + -! group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) + -! polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C9H12R(38723) C 9H 12 G 100.000 5000.000 1056.94 1 - 4.11780874E+01 1.28356687E-01-5.21302175E-05 9.76696138E-09-6.89665106E-13 2 --1.27876366E+04-1.80526734E+02-8.06975435E+00 2.19737199E-01-4.69956979E-05 3 --7.85101762E-08 4.03050139E-11 2.92900942E+03 8.48947908E+01 4 - -! Thermo group additivity estimation: group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-(Cds-Cds)CsHH) + -! group(Cs-(Cds-Cds)CsHH) + group(Cs-CsHHH) + group(Cds-CdsCsCs) + group(Cds-CdsCsH) + Estimated bicyclic component: polycyclic(s3_5_6_ane) - -! ring(Cyclohexane) - ring(Cyclopentane) + ring(Cyclohexene) + ring(Cyclopentene) + radical(cyclopentene-4) -C9H13(38809) C 9H 13 G 100.000 5000.000 993.35 1 - 1.38864816E+01 4.43859201E-02-1.69449497E-05 3.18051734E-09-2.29181922E-13 2 - 1.61216173E+04-4.99309158E+01 1.03151087E+00 4.40857005E-02 6.21277556E-05 3 --1.02651337E-07 3.96851728E-11 2.12442220E+04 2.49306389E+01 4 - -! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + -! longDistanceInteraction_noncyclic(CsCs-TT) + group(Cs-CsCsCsH) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-(Cds-Cds)CsCsH) + -! longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs-(Cds-Cds)CsCsH) + group(Cs-CsCsHH) + longDistanceInteraction_noncyclic(CsCs-ST) + group(Cs- -! CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsCsHH) + group(Cs-CsHHH) + group(Cs-CsHHH) + group(Cs- -! CsHHH) + group(Cs-(Cds-Cds)HHH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsHH) -! + polycyclic(s3_5_6_ene_5) + radical(Allyl_T) -C9H12R(39454) C 9H 12 G 100.000 5000.000 1071.03 1 - 4.07146169E+01 1.29458483E-01-5.29168821E-05 9.90931586E-09-6.97879367E-13 2 --1.15529007E+04-1.76759571E+02-8.14244096E+00 2.22920935E-01-5.91592977E-05 3 --6.37963591E-08 3.46179106E-11 4.01747795E+03 8.61318686E+01 4 - -END - - - -REACTIONS KCAL/MOLE MOLES - -! Reaction index: Chemkin #1; RMG #1 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), RC10L(1); C[CH]CC(C)CR(5), RC10L(1); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>RC10L(1) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #2; RMG #2 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), RC10L(1); C[CH]CC(C)L(7), RC10L(1); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>RC10L(1) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #3; RMG #3 -! Library reaction: restart -! Flux pairs: C[CH]L(8), RC10L(1); C7H14R(9), RC10L(1); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C7H14R(9)<=>RC10L(1) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4; RMG #4 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), RC10L(1); C6H12L(11), RC10L(1); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C6H12L(11)<=>RC10L(1) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5; RMG #5 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+[CH2]C(C)L(4)<=>C3H5R(12)+CC(C)L(13) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #6; RMG #6 -! Library reaction: restart -! Flux pairs: [CH2]R(14), RC10L(1); C8H16L(15), RC10L(1); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]R(14)+C8H16L(15)<=>RC10L(1) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #7; RMG #7 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C[CH]CC(C)L(7)<=>C3H5R(12)+CCCC(C)L(16) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #8; RMG #8 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CCCC(C)L(16)<=>CC(C)L(13)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #9; RMG #9 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>CC(C)L(13)+C6H11R(17) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #10; RMG #10 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>CCCC(C)L(16)+C6H11R(17) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #11; RMG #11 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C[CH]CC(C)CR(5); C[CH]CR(10), C[CH]CC(C)CR(5); -! From training reaction 239 used for Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+C[CH]CR(10)<=>C[CH]CC(C)CR(5) 1.710000e+03 2.410 3.550 - -! Reaction index: Chemkin #12; RMG #12 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]R(14), [CH2]C(C)CR(6); C3H6(18), [CH2]C(C)CR(6); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]R(14)+C3H6(18)<=>[CH2]C(C)CR(6) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #13; RMG #13 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C[CH]CC(C)L(7); C3H6(18), C[CH]CC(C)L(7); -! From training reaction 239 used for Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C3H6(18)<=>C[CH]CC(C)L(7) 1.710000e+03 2.410 3.550 - -! Reaction index: Chemkin #14; RMG #14 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C7H14R(9); [CH2]C(C)CR(6), C7H14R(9); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+[CH2]C(C)CR(6)<=>C7H14R(9) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #15; RMG #15 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C6H12L(11); [CH2]C(C)L(4), C6H12L(11); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+[CH2]C(C)L(4)<=>C6H12L(11) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #16; RMG #16 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C8H16L(15); C[CH]CC(C)L(7), C8H16L(15); -! From training reaction 239 used for Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+C[CH]CC(C)L(7)<=>C8H16L(15) 1.710000e+03 2.410 3.550 - -! Reaction index: Chemkin #17; RMG #17 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+[CH2]C(C)L(4)<=>C2H3L(19)+CC(C)L(13) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #18; RMG #18 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]CC(C)L(7)<=>C2H3L(19)+CCCC(C)L(16) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #19; RMG #19 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>CC(C)CR(20)+C6H11R(17) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #20; RMG #20 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+[CH2]C(C)CR(6)<=>C2H3L(19)+CC(C)CR(20) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #21; RMG #21 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+[CH2]C(C)CR(6)<=>C3H5R(12)+CC(C)CR(20) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #22; RMG #22 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CC(C)CR(20)<=>CC(C)L(13)+[CH2]C(C)CR(6) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #23; RMG #23 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+CCCC(C)L(16)<=>CC(C)CR(20)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #24; RMG #24 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C8H16L(15)<=>CC(C)CR(20)+C8H15L(21) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #25; RMG #25 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C8H16L(15)<=>CC(C)L(13)+C8H15L(21) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #26; RMG #26 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C8H16L(15)<=>CCCC(C)L(16)+C8H15L(21) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #27; RMG #27 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(12); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C[CH]CR(10)<=>CR(22)+C3H5R(12) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #28; RMG #28 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C[CH]CC(C)CR(5)<=>CR(22)+C6H11R(17) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #29; RMG #29 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C2H3L(19); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C[CH]L(8)<=>CR(22)+C2H3L(19) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #30; RMG #30 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)L(13), [CH2]C(C)L(4); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+CC(C)L(13)<=>CR(22)+[CH2]C(C)L(4) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #31; RMG #31 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C8H16L(15)<=>CR(22)+C8H15L(21) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #32; RMG #32 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+CCCC(C)L(16)<=>CR(22)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #33; RMG #33 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+CC(C)CR(20)<=>CR(22)+[CH2]C(C)CR(6) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #34; RMG #34 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C7H14R(9)<=>C6H11R(17)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #35; RMG #35 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C7H14R(9)<=>C2H3L(19)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #36; RMG #36 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C7H14R(9)<=>C3H5R(12)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #37; RMG #37 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CC(C)CC(C)CR(23)<=>CC(C)L(13)+C7H14R(9) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #38; RMG #38 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C8H16L(15)<=>CC(C)CC(C)CR(23)+C8H15L(21) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #39; RMG #39 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C7H14R(9)<=>C[CH]CC(C)L(7)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #40; RMG #40 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+CC(C)CC(C)CR(23)<=>CC(C)CR(20)+C7H14R(9) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #41; RMG #41 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+CC(C)CC(C)CR(23)<=>CR(22)+C7H14R(9) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #42; RMG #42 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>CC(C)CR(20)+C5H9L(24) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #43; RMG #43 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>CC(C)L(13)+C5H9L(24) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #44; RMG #44 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C[CH]CC(C)L(7)<=>C5H9L(24)+CCCC(C)L(16) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #45; RMG #45 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C7H14R(9)<=>C5H9L(24)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #46; RMG #46 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C[CH]CC(C)L(7)<=>CR(22)+C5H9L(24) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #47; RMG #47 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H12L(11)<=>C3H5R(12)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #48; RMG #48 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C6H12L(11)<=>C6H11R(17)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #49; RMG #49 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H12L(11)<=>C5H9L(24)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #50; RMG #50 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H12L(11)<=>C2H3L(19)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #51; RMG #51 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CC(C)CC(C)L(25)<=>CC(C)L(13)+C6H12L(11) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #52; RMG #52 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C8H16L(15)<=>CC(C)CC(C)L(25)+C8H15L(21) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #53; RMG #53 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C6H12L(11)<=>C[CH]CC(C)L(7)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #54; RMG #54 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+CC(C)CC(C)L(25)<=>CC(C)CR(20)+C6H12L(11) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #55; RMG #55 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+CC(C)CC(C)L(25)<=>CR(22)+C6H12L(11) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #56; RMG #56 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H12L(11)+CC(C)CC(C)CR(23)<=>CC(C)CC(C)L(25)+C7H14R(9) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #57; RMG #57 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]CC(C)CR(5)<=>CCL(26)+C6H11R(17) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #58; RMG #58 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]CC(C)L(7)<=>CCL(26)+C5H9L(24) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #59; RMG #59 -! Library reaction: restart -! Flux pairs: C[CH]L(8), CCL(26); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]L(8)<=>C2H3L(19)+CCL(26) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #60; RMG #60 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(12); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]CR(10)<=>CCL(26)+C3H5R(12) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #61; RMG #61 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+[CH2]C(C)L(4)<=>C[CH]L(8)+CC(C)L(13) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #62; RMG #62 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C8H16L(15)<=>CCL(26)+C8H15L(21) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #63; RMG #63 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C[CH]CC(C)L(7)<=>C[CH]L(8)+CCCC(C)L(16) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #64; RMG #64 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+[CH2]C(C)CR(6)<=>C[CH]L(8)+CC(C)CR(20) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #65; RMG #65 -! Template reaction: H_Abstraction -! Flux pairs: CCL(26), C[CH]L(8); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+CCL(26)<=>CR(22)+C[CH]L(8) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #66; RMG #66 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C7H14R(9)<=>C[CH]L(8)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #67; RMG #67 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C6H12L(11)<=>C[CH]L(8)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #68; RMG #68 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), CCCR(27); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C[CH]CR(10)<=>C3H5R(12)+CCCR(27) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #69; RMG #69 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C[CH]CC(C)CR(5)<=>CCCR(27)+C6H11R(17) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #70; RMG #70 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C[CH]CC(C)L(7)<=>CCCR(27)+C5H9L(24) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #71; RMG #71 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), CCCR(27); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]CR(10)<=>C2H3L(19)+CCCR(27) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #72; RMG #72 -! Template reaction: H_Abstraction -! Flux pairs: CCCR(27), CC(C)L(13); [CH2]C(C)L(4), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CCCR(27)<=>C[CH]CR(10)+CC(C)L(13) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #73; RMG #73 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C8H16L(15)<=>CCCR(27)+C8H15L(21) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #74; RMG #74 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C[CH]CC(C)L(7)<=>C[CH]CR(10)+CCCC(C)L(16) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #75; RMG #75 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+[CH2]C(C)CR(6)<=>C[CH]CR(10)+CC(C)CR(20) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #76; RMG #76 -! Template reaction: H_Abstraction -! Flux pairs: CCCR(27), C[CH]CR(10); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+CCCR(27)<=>CR(22)+C[CH]CR(10) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #77; RMG #77 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C7H14R(9)<=>C[CH]CR(10)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #78; RMG #78 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C6H12L(11)<=>C[CH]CR(10)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #79; RMG #79 -! Template reaction: H_Abstraction -! Flux pairs: CCCR(27), C[CH]CR(10); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+CCCR(27)<=>CCL(26)+C[CH]CR(10) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #80; RMG #80 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C7H14LR(28); [CH2]C(C)CR(6), C7H14LR(28); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]C(C)L(4)+[CH2]C(C)CR(6)<=>C7H14LR(28) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #81; RMG #81 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C10H20LR(29); C7H14R(9), C10H20LR(29); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]C(C)L(4)+C7H14R(9)<=>C10H20LR(29) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #82; RMG #82 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C9H18L2(30); C6H12L(11), C9H18L2(30); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]C(C)L(4)+C6H12L(11)<=>C9H18L2(30) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #83; RMG #83 -! Library reaction: restart -! Flux pairs: [CH2]R(14), CC(L)CCR(31); [CH2]C(C)L(4), CC(L)CCR(31); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]R(14)+[CH2]C(C)L(4)<=>CC(L)CCR(31) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #84; RMG #84 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C[CH]CC(C)CR(5)<=>C6H11R(17)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #85; RMG #85 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>C5H9L(24)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #86; RMG #86 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]CC(C)CR(5)<=>C2H3L(19)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #87; RMG #87 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C[CH]CC(C)CR(5)<=>C3H5R(12)+CCCC(C)CR(32) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #88; RMG #88 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CCCC(C)CR(32)<=>CC(C)L(13)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #89; RMG #89 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C8H16L(15)<=>CCCC(C)CR(32)+C8H15L(21) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #90; RMG #90 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+CCCC(C)CR(32)<=>CCCC(C)L(16)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #91; RMG #91 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+CCCC(C)CR(32)<=>CC(C)CR(20)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #92; RMG #92 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+CCCC(C)CR(32)<=>CR(22)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #93; RMG #93 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), CC(C)CC(C)L(25); C6H12L(11), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+CCCC(C)CR(32)<=>C[CH]CC(C)CR(5)+CC(C)CC(C)L(25) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #94; RMG #94 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C7H14R(9)<=>C[CH]CC(C)CR(5)+CC(C)CC(C)CR(23) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #95; RMG #95 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+CCCC(C)CR(32)<=>CCL(26)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #96; RMG #96 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+CCCC(C)CR(32)<=>CCCR(27)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #97; RMG #97 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C8H16L2(33); C[CH]CC(C)L(7), C8H16L2(33); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>C8H16L2(33) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #98; RMG #98 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C8H16L2(33); C6H12L(11), C8H16L2(33); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C6H12L(11)<=>C8H16L2(33) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #99; RMG #99 -! Library reaction: restart -! Flux pairs: [CH2]R(14), CC(CR)CCR(34); [CH2]C(C)CR(6), CC(CR)CCR(34); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]R(14)+[CH2]C(C)CR(6)<=>CC(CR)CCR(34) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #100; RMG #100 -! Library reaction: restart -! Flux pairs: C[CH]L(8), CC(L)CC(C)L(35); [CH2]C(C)L(4), CC(L)CC(C)L(35); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+[CH2]C(C)L(4)<=>CC(L)CC(C)L(35) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #101; RMG #101 -! Library reaction: restart -! Flux pairs: [CH2]R(14), C8H16R2(36); C7H14R(9), C8H16R2(36); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]R(14)+C7H14R(9)<=>C8H16R2(36) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #102; RMG #102 -! Library reaction: restart -! Flux pairs: C[CH]L(8), CC(L)CC(C)CR(37); [CH2]C(C)CR(6), CC(L)CC(C)CR(37); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+[CH2]C(C)CR(6)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #103; RMG #103 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), CC(L)CC(C)CR(37); [CH2]C(C)L(4), CC(L)CC(C)CR(37); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+[CH2]C(C)L(4)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #104; RMG #104 -! Library reaction: restart -! Flux pairs: [CH2]R(14), CC(L)CC(C)CR(37); C[CH]CC(C)L(7), CC(L)CC(C)CR(37); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]R(14)+C[CH]CC(C)L(7)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #105; RMG #105 -! Library reaction: restart -! Flux pairs: [CH2]R(14), C7H14LR(38); C6H12L(11), C7H14LR(38); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]R(14)+C6H12L(11)<=>C7H14LR(38) 3.187950e+16 -1.177 0.000 - -! Reaction index: Chemkin #106; RMG #106 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C9H18R2(39); C[CH]CC(C)CR(5), C9H18R2(39); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C[CH]CC(C)CR(5)<=>C9H18R2(39) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #107; RMG #107 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C7H14R2(40); [CH2]C(C)CR(6), C7H14R2(40); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+[CH2]C(C)CR(6)<=>C7H14R2(40) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #108; RMG #108 -! Library reaction: restart -! Flux pairs: [CH2]R(14), C7H14R2(40); C[CH]CC(C)CR(5), C7H14R2(40); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]R(14)+C[CH]CC(C)CR(5)<=>C7H14R2(40) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #109; RMG #109 -! Library reaction: restart -! Flux pairs: [CH2]R(14), CC(L)CR(41); C[CH]L(8), CC(L)CR(41); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]R(14)+C[CH]L(8)<=>CC(L)CR(41) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #110; RMG #110 -! Library reaction: restart -! Flux pairs: [CH2]R(14), CC(CR)CR(42); C[CH]CR(10), CC(CR)CR(42); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]R(14)+C[CH]CR(10)<=>CC(CR)CR(42) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #111; RMG #111 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C8H16LR(43); C[CH]CC(C)CR(5), C8H16LR(43); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C[CH]CC(C)CR(5)<=>C8H16LR(43) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #112; RMG #112 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C8H16LR(44); C[CH]CC(C)L(7), C8H16LR(44); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C[CH]CC(C)L(7)<=>C8H16LR(44) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #113; RMG #113 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CC(L)CCC(C)L(45); [CH2]C(C)L(4), CC(L)CCC(C)L(45); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]C(C)L(4)+[CH2]C(C)L(4)<=>CC(L)CCC(C)L(45) 1.593980e+16 -1.177 0.000 - -! Reaction index: Chemkin #114; RMG #114 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C7H14L2(46); C[CH]CC(C)L(7), C7H14L2(46); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C[CH]CC(C)L(7)<=>C7H14L2(46) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #115; RMG #115 -! Library reaction: restart -! Flux pairs: C[CH]L(8), CC(L)C(C)CR(47); C[CH]CR(10), CC(L)C(C)CR(47); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C[CH]CR(10)<=>CC(L)C(C)CR(47) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #116; RMG #116 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C10H20R2(48); C[CH]CC(C)CR(5), C10H20R2(48); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>C10H20R2(48) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #117; RMG #117 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C10H20R2(48); C7H14R(9), C10H20R2(48); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C7H14R(9)<=>C10H20R2(48) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #118; RMG #118 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C8H16L(15)<=>C3H5R(12)+C8H17L(49) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #119; RMG #119 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C8H16L(15)<=>C6H11R(17)+C8H17L(49) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #120; RMG #120 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C8H16L(15)<=>C5H9L(24)+C8H17L(49) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #121; RMG #121 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C8H16L(15)<=>C2H3L(19)+C8H17L(49) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #122; RMG #122 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C8H17L(49)<=>CC(C)L(13)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #123; RMG #123 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C8H16L(15)<=>C8H15L(21)+C8H17L(49) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #124; RMG #124 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C8H17L(49)<=>CCCC(C)L(16)+C8H16L(15) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #125; RMG #125 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C8H17L(49)<=>CR(22)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #126; RMG #126 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C8H17L(49)<=>CC(C)CR(20)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #127; RMG #127 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C8H17L(49)<=>CC(C)CC(C)L(25)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #128; RMG #128 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C8H17L(49)<=>CCL(26)+C8H16L(15) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #129; RMG #129 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C8H17L(49)<=>CCCR(27)+C8H16L(15) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #130; RMG #130 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C8H17L(49)<=>CCCC(C)CR(32)+C8H16L(15) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #131; RMG #131 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+C8H17L(49)<=>CC(C)CC(C)CR(23)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #132; RMG #132 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C11H22L2(50); C6H12L(11), C11H22L2(50); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CC(C)L(7)+C6H12L(11)<=>C11H22L2(50) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #133; RMG #133 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C11H22L2(50); C8H16L(15), C11H22L2(50); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]C(C)L(4)+C8H16L(15)<=>C11H22L2(50) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #134; RMG #134 -! Library reaction: restart -! Flux pairs: C[CH]L(8), CC(L)C(C)L(51); C[CH]L(8), CC(L)C(C)L(51); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C[CH]L(8)<=>CC(L)C(C)L(51) 1.740640e+13 -0.158 0.000 - -! Reaction index: Chemkin #135; RMG #135 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), CC(CR)C(C)CR(52); C[CH]CR(10), CC(CR)C(C)CR(52); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C[CH]CR(10)<=>CC(CR)C(C)CR(52) 1.740640e+13 -0.158 0.000 - -! Reaction index: Chemkin #136; RMG #136 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C10H20L2(53); C8H16L(15), C10H20L2(53); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C8H16L(15)<=>C10H20L2(53) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #137; RMG #137 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C11H22LR(54); C8H16L(15), C11H22LR(54); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C8H16L(15)<=>C11H22LR(54) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #138; RMG #138 -! Library reaction: restart -! Flux pairs: [CH2]R(14), RCCR(55); [CH2]R(14), RCCR(55); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -[CH2]R(14)+[CH2]R(14)<=>RCCR(55) 1.593980e+16 -1.177 0.000 - -! Reaction index: Chemkin #139; RMG #139 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C[CH]CC(C)CR(5)<=>C6H11R(56)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #140; RMG #140 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>CC(C)L(13)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #141; RMG #141 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>CC(C)CR(20)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #142; RMG #142 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>CCCC(C)L(16)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #143; RMG #143 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C7H14R(9)<=>C6H11R(56)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #144; RMG #144 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C[CH]CC(C)CR(5)<=>CCL(26)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #145; RMG #145 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C[CH]CC(C)CR(5)<=>CCCR(27)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #146; RMG #146 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C6H12L(11)<=>C6H11R(56)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #147; RMG #147 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C[CH]CC(C)CR(5)<=>CR(22)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #148; RMG #148 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C8H16L(15)<=>C6H11R(56)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #149; RMG #149 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>CC(C)CR(20)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #150; RMG #150 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C[CH]CC(C)CR(5)<=>C5H9L(57)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #151; RMG #151 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>CC(C)L(13)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #152; RMG #152 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C[CH]CC(C)L(7)<=>C5H9L(57)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #153; RMG #153 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C7H14R(9)<=>C5H9L(57)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #154; RMG #154 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C[CH]CC(C)L(7)<=>CCL(26)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #155; RMG #155 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C[CH]CC(C)L(7)<=>CCCR(27)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #156; RMG #156 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H12L(11)<=>C5H9L(57)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #157; RMG #157 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C[CH]CC(C)L(7)<=>CR(22)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #158; RMG #158 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C8H16L(15)<=>C5H9L(57)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #159; RMG #159 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+[CH2]C(C)CR(6)<=>C3H5R(58)+CC(C)CR(20) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #160; RMG #160 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), CCCR(27); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C[CH]CR(10)<=>C3H5R(58)+CCCR(27) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #161; RMG #161 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C[CH]CC(C)CR(5)<=>C3H5R(58)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #162; RMG #162 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+[CH2]C(C)L(4)<=>C3H5R(58)+CC(C)L(13) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #163; RMG #163 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C7H14R(9)<=>C3H5R(58)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #164; RMG #164 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C[CH]CC(C)L(7)<=>C3H5R(58)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #165; RMG #165 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C[CH]CR(10)<=>CCL(26)+C3H5R(58) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #166; RMG #166 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H12L(11)<=>C3H5R(58)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #167; RMG #167 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C[CH]CR(10)<=>CR(22)+C3H5R(58) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #168; RMG #168 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C8H16L(15)<=>C3H5R(58)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #169; RMG #169 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C[CH]CC(C)CR(5)<=>C3H5L(59)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #170; RMG #170 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+[CH2]C(C)L(4)<=>C3H5L(59)+CC(C)L(13) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #171; RMG #171 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+[CH2]C(C)CR(6)<=>C3H5L(59)+CC(C)CR(20) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #172; RMG #172 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C[CH]CC(C)L(7)<=>C3H5L(59)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #173; RMG #173 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C7H14R(9)<=>C3H5L(59)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #174; RMG #174 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(59); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+[CH2]C(C)L(4)<=>CCL(26)+C3H5L(59) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #175; RMG #175 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CCCR(27); C[CH]CR(10), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+[CH2]C(C)L(4)<=>C3H5L(59)+CCCR(27) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #176; RMG #176 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H12L(11)<=>C3H5L(59)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #177; RMG #177 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(59); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+[CH2]C(C)L(4)<=>CR(22)+C3H5L(59) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #178; RMG #178 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C8H16L(15)<=>C3H5L(59)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #179; RMG #179 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+[CH2]C(C)CR(6)<=>C4H7R(60)+CC(C)CR(20) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #180; RMG #180 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C[CH]CC(C)CR(5)<=>C4H7R(60)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #181; RMG #181 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+[CH2]C(C)CR(6)<=>CC(C)L(13)+C4H7R(60) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #182; RMG #182 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C[CH]CC(C)L(7)<=>C4H7R(60)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #183; RMG #183 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C7H14R(9)<=>C4H7R(60)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #184; RMG #184 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+[CH2]C(C)CR(6)<=>CCL(26)+C4H7R(60) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #185; RMG #185 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+[CH2]C(C)CR(6)<=>CCCR(27)+C4H7R(60) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #186; RMG #186 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H12L(11)<=>C4H7R(60)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #187; RMG #187 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+[CH2]C(C)CR(6)<=>CR(22)+C4H7R(60) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #188; RMG #188 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C8H16L(15)<=>C4H7R(60)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #189; RMG #189 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C8H16L(15)<=>CC(C)CR(20)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #190; RMG #190 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C8H16L(15)<=>CCCR(27)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #191; RMG #191 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C8H16L(15)<=>CCCC(C)CR(32)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #192; RMG #192 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C8H16L(15)<=>CC(C)L(13)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #193; RMG #193 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C8H16L(15)<=>CC(C)CC(C)CR(23)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #194; RMG #194 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C8H16L(15)<=>CCCC(C)L(16)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #195; RMG #195 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C8H16L(15)<=>CCL(26)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #196; RMG #196 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C8H16L(15)<=>CC(C)CC(C)L(25)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #197; RMG #197 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C8H16L(15)<=>CR(22)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #198; RMG #198 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C8H16L(15)<=>C8H15L(61)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #199; RMG #199 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C7H14R(9)<=>CC(C)CR(20)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #200; RMG #200 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CC(C)CR(5)+C7H14R(9)<=>CCCC(C)CR(32)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #201; RMG #201 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C7H14R(9)<=>CC(C)L(13)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #202; RMG #202 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C7H14R(9)+C7H14R(9)<=>C7H13R(62)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #203; RMG #203 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CC(C)L(7)+C7H14R(9)<=>CCCC(C)L(16)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #204; RMG #204 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+C7H14R(9)<=>CCL(26)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #205; RMG #205 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+C7H14R(9)<=>CCCR(27)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #206; RMG #206 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C7H14R(9)<=>CC(C)CC(C)L(25)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #207; RMG #207 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+C7H14R(9)<=>CR(22)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #208; RMG #208 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C8H16L(15)<=>C7H13R(62)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #209; RMG #209 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H12L(11)<=>CC(C)CR(20)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #210; RMG #210 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+C6H12L(11)<=>CCCR(27)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #211; RMG #211 -! Library reaction: restart -! Flux pairs: C6H12L(11), CCCC(C)CR(32); C[CH]CC(C)CR(5), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CC(C)CR(5)+C6H12L(11)<=>C6H11L(63)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #212; RMG #212 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H12L(11)<=>CC(C)L(13)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #213; RMG #213 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C7H14R(9)<=>C6H11L(63)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #214; RMG #214 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CC(C)L(7)+C6H12L(11)<=>CCCC(C)L(16)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #215; RMG #215 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+C6H12L(11)<=>CCL(26)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #216; RMG #216 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C6H12L(11)<=>C6H11L(63)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #217; RMG #217 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+C6H12L(11)<=>CR(22)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #218; RMG #218 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C8H16L(15)<=>C6H11L(63)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #219; RMG #219 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C10H20R(64)<=>C[CH]CC(C)CR(5)+RC10(2) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #220; RMG #220 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10(2)<=>CC(C)L(13)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #221; RMG #221 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10(2)<=>CC(C)CR(20)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #222; RMG #222 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C10H20R(64)<=>C[CH]CC(C)L(7)+RC10(2) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #223; RMG #223 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+RC10(2)<=>CC(C)CC(C)CR(23)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #224; RMG #224 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C10H20R(64)<=>C[CH]L(8)+RC10(2) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #225; RMG #225 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C10H20R(64)<=>C[CH]CR(10)+RC10(2) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #226; RMG #226 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+RC10(2)<=>CC(C)CC(C)L(25)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #227; RMG #227 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C10H20R(64)<=>C3H5R(12)+RC10(2) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #228; RMG #228 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+RC10(2)<=>CR(22)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #229; RMG #229 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C10H20R(64)<=>C8H16L(15)+RC10(2) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #230; RMG #230 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C10H20R(64)<=>C6H11R(17)+RC10(2) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #231; RMG #231 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C10H20R(64)<=>C2H3L(19)+RC10(2) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #232; RMG #232 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C10H20R(64)<=>C8H15L(21)+RC10(2) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #233; RMG #233 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C10H20R(64)<=>C5H9L(24)+RC10(2) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #234; RMG #234 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H20R(64)<=>C6H11R(56)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #235; RMG #235 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H20R(64)<=>C5H9L(57)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #236; RMG #236 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H20R(64)<=>C3H5R(58)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #237; RMG #237 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C10H20R(64)<=>C3H5L(59)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #238; RMG #238 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C10H20R(64)<=>C4H7R(60)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #239; RMG #239 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H20R(64)<=>C8H15L(61)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #240; RMG #240 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C10H20R(64)<=>C7H13R(62)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #241; RMG #241 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C10H20R(64)<=>C6H11L(63)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #242; RMG #242 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+RC10L(1)<=>CCCC(C)CR(32)+C9H17LR(65) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #243; RMG #243 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #244; RMG #244 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #245; RMG #245 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+RC10L(1)<=>CCCC(C)L(16)+C9H17LR(65) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #246; RMG #246 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #247; RMG #247 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+RC10L(1)<=>CCL(26)+C9H17LR(65) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #248; RMG #248 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+RC10L(1)<=>CCCR(27)+C9H17LR(65) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #249; RMG #249 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #250; RMG #250 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(65)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #251; RMG #251 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #252; RMG #252 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C8H16L(15), C8H17L(49); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H16L(15)+RC10L(1)<=>C8H17L(49)+C9H17LR(65) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #253; RMG #253 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(65)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #254; RMG #254 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(65)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #255; RMG #255 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(65)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #256; RMG #256 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(65)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #257; RMG #257 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(65)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #258; RMG #258 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(65)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #259; RMG #259 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(65)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #260; RMG #260 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C9H17LR(65)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #261; RMG #261 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C9H17LR(65)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #262; RMG #262 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(65)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #263; RMG #263 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C9H17LR(65)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #264; RMG #264 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C9H17LR(65)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #265; RMG #265 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); RC10L(1), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H20R(64)<=>C9H17LR(65)+RC10(2) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #266; RMG #266 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C9H17LR(65); C7H13R(62), C9H17LR(65); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C7H13R(62)<=>C9H17LR(65) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #267; RMG #267 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]CR(10), C9H17LR(65); C6H11L(63), C9H17LR(65); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C6H11L(63)<=>C9H17LR(65) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #268; RMG #268 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C9H17LR(66)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #269; RMG #269 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #270; RMG #270 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #271; RMG #271 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C9H17LR(66)<=>C[CH]CC(C)L(7)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #272; RMG #272 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #273; RMG #273 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C9H17LR(66)<=>C[CH]L(8)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #274; RMG #274 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C9H17LR(66)<=>C[CH]CR(10)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #275; RMG #275 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #276; RMG #276 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(66)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #277; RMG #277 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #278; RMG #278 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C9H17LR(66)<=>C8H16L(15)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #279; RMG #279 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(66)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #280; RMG #280 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(66)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #281; RMG #281 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(66)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #282; RMG #282 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(66)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #283; RMG #283 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(66)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #284; RMG #284 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]C(C)L(4), C9H17LR(66); C6H11R(56), C9H17LR(66); -! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]C(C)L(4)+C6H11R(56)<=>C9H17LR(66) 1.020000e+03 2.410 6.230 - -! Reaction index: Chemkin #285; RMG #285 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(66)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #286; RMG #286 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(66)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #287; RMG #287 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C9H17LR(66)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #288; RMG #288 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C9H17LR(66)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #289; RMG #289 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(66)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #290; RMG #290 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C9H17LR(66)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #291; RMG #291 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C9H17LR(66)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #292; RMG #292 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #293; RMG #293 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(66), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(66)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #294; RMG #294 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]R(14), C9H17LR(66); C8H15L(61), C9H17LR(66); -! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]R(14)+C8H15L(61)<=>C9H17LR(66) 1.020000e+03 2.410 6.230 - -! Reaction index: Chemkin #295; RMG #295 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C9H17LR(67)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #296; RMG #296 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #297; RMG #297 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #298; RMG #298 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C9H17LR(67)<=>C[CH]CC(C)L(7)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #299; RMG #299 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #300; RMG #300 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C9H17LR(67)<=>C[CH]L(8)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #301; RMG #301 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C9H17LR(67)<=>C[CH]CR(10)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #302; RMG #302 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #303; RMG #303 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(67)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #304; RMG #304 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #305; RMG #305 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C9H17LR(67)<=>C8H16L(15)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #306; RMG #306 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(67)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #307; RMG #307 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(67)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #308; RMG #308 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(67)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #309; RMG #309 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(67)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #310; RMG #310 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(67)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #311; RMG #311 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(67)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #312; RMG #312 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(67)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #313; RMG #313 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(58), C9H17LR(67); C6H12L(11), C9H17LR(67); -! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5R(58)+C6H12L(11)<=>C9H17LR(67) 1.020000e+03 2.410 6.230 - -! Reaction index: Chemkin #314; RMG #314 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C9H17LR(67)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #315; RMG #315 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C9H17LR(67)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #316; RMG #316 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(67)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #317; RMG #317 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C9H17LR(67)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #318; RMG #318 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C9H17LR(67)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #319; RMG #319 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #320; RMG #320 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(67)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #321; RMG #321 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #322; RMG #322 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C9H17LR(68)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #323; RMG #323 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #324; RMG #324 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #325; RMG #325 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C9H17LR(68)<=>C[CH]CC(C)L(7)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #326; RMG #326 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #327; RMG #327 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C9H17LR(68)<=>C[CH]L(8)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #328; RMG #328 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C9H17LR(68)<=>C[CH]CR(10)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #329; RMG #329 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #330; RMG #330 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(68)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #331; RMG #331 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #332; RMG #332 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C9H17LR(68)<=>C8H16L(15)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #333; RMG #333 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(68)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #334; RMG #334 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(68)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #335; RMG #335 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(68)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #336; RMG #336 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(68)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #337; RMG #337 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(68)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #338; RMG #338 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(68)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #339; RMG #339 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(68)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #340; RMG #340 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C9H17LR(68)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #341; RMG #341 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C9H17LR(68)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #342; RMG #342 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(68)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #343; RMG #343 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C9H17LR(68)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #344; RMG #344 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C9H17LR(68)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #345; RMG #345 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #346; RMG #346 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(68)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #347; RMG #347 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]C(C)CR(6), C9H17LR(68); C5H9L(57), C9H17LR(68); -! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]C(C)CR(6)+C5H9L(57)<=>C9H17LR(68) 1.020000e+03 2.410 6.230 - -! Reaction index: Chemkin #348; RMG #348 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #349; RMG #349 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(67); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #350; RMG #350 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+RC10L(1)<=>CCCC(C)CR(32)+C9H17LR(69) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #351; RMG #351 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #352; RMG #352 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #353; RMG #353 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+RC10L(1)<=>CCCC(C)L(16)+C9H17LR(69) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #354; RMG #354 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #355; RMG #355 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+RC10L(1)<=>CCL(26)+C9H17LR(69) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #356; RMG #356 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+RC10L(1)<=>CCCR(27)+C9H17LR(69) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #357; RMG #357 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #358; RMG #358 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(69)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #359; RMG #359 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #360; RMG #360 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C8H16L(15), C8H17L(49); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H16L(15)+RC10L(1)<=>C8H17L(49)+C9H17LR(69) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #361; RMG #361 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(69)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #362; RMG #362 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(69)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #363; RMG #363 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(69)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #364; RMG #364 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(69)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #365; RMG #365 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(69)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #366; RMG #366 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(69)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #367; RMG #367 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(69)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #368; RMG #368 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C9H17LR(69)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #369; RMG #369 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C9H17LR(69)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #370; RMG #370 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(69)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #371; RMG #371 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C9H17LR(69)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #372; RMG #372 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C9H17LR(69)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #373; RMG #373 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); RC10L(1), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H20R(64)<=>C9H17LR(69)+RC10(2) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #374; RMG #374 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(69), C9H17LR(65); -! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(69)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 5.420000e-04 4.340 4.900 - -! Reaction index: Chemkin #375; RMG #375 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C9H17LR(69); C[CH]CC(C)L(7), C9H17LR(69); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H7R(60)+C[CH]CC(C)L(7)<=>C9H17LR(69) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #376; RMG #376 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(66), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(66)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #377; RMG #377 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(67)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #378; RMG #378 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(68)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #379; RMG #379 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C9H17LR(70)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #380; RMG #380 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CC(C)L(13), [CH2]C(C)L(4); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)L(13)+C9H17LR(70)<=>[CH2]C(C)L(4)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #381; RMG #381 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CR(20), [CH2]C(C)CR(6); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CR(20)+C9H17LR(70)<=>[CH2]C(C)CR(6)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #382; RMG #382 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C9H17LR(70)<=>C[CH]CC(C)L(7)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #383; RMG #383 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CC(C)CR(23), C7H14R(9); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CC(C)CR(23)+C9H17LR(70)<=>C7H14R(9)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #384; RMG #384 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C9H17LR(70)<=>C[CH]L(8)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #385; RMG #385 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C9H17LR(70)<=>C[CH]CR(10)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #386; RMG #386 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CC(C)L(25), C6H12L(11); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CC(C)L(25)+C9H17LR(70)<=>C6H12L(11)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #387; RMG #387 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(70)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #388; RMG #388 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(70); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(70) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #389; RMG #389 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C9H17LR(70)<=>C8H16L(15)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #390; RMG #390 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(70)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #391; RMG #391 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(70)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #392; RMG #392 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H3L(19), C9H17LR(70); C7H14R(9), C9H17LR(70); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C2H3L(19)+C7H14R(9)<=>C9H17LR(70) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #393; RMG #393 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(70)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #394; RMG #394 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(70)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #395; RMG #395 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(70)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #396; RMG #396 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(70)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #397; RMG #397 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(70)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #398; RMG #398 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C9H17LR(70)<=>C3H5L(59)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #399; RMG #399 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C9H17LR(70)<=>C4H7R(60)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #400; RMG #400 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(70)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #401; RMG #401 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C7H14R(9)+C9H17LR(70)<=>C7H13R(62)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #402; RMG #402 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C9H17LR(70)<=>C6H11L(63)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #403; RMG #403 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #404; RMG #404 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(70)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #405; RMG #405 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #406; RMG #406 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(67); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #407; RMG #407 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(68); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+RC10L(1)<=>C9H17LR(68)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #408; RMG #408 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(70)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #409; RMG #409 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C9H17LR(71)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #410; RMG #410 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CC(C)L(13), [CH2]C(C)L(4); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)L(13)+C9H17LR(71)<=>[CH2]C(C)L(4)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #411; RMG #411 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CR(20), [CH2]C(C)CR(6); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CR(20)+C9H17LR(71)<=>[CH2]C(C)CR(6)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #412; RMG #412 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C9H17LR(71)<=>C[CH]CC(C)L(7)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #413; RMG #413 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CC(C)CR(23), C7H14R(9); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CC(C)CR(23)+C9H17LR(71)<=>C7H14R(9)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #414; RMG #414 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C9H17LR(71)<=>C[CH]L(8)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #415; RMG #415 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C9H17LR(71)<=>C[CH]CR(10)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #416; RMG #416 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CC(C)L(25), C6H12L(11); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CC(C)L(25)+C9H17LR(71)<=>C6H12L(11)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #417; RMG #417 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(71)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #418; RMG #418 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(12), C9H17LR(71); C6H12L(11), C9H17LR(71); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5R(12)+C6H12L(11)<=>C9H17LR(71) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #419; RMG #419 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(71); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(71) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #420; RMG #420 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C9H17LR(71)<=>C8H16L(15)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #421; RMG #421 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(71)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #422; RMG #422 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(71)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #423; RMG #423 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(71)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #424; RMG #424 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]R(14), C9H17LR(71); C8H15L(21), C9H17LR(71); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]R(14)+C8H15L(21)<=>C9H17LR(71) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #425; RMG #425 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(71)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #426; RMG #426 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(71)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #427; RMG #427 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(71)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #428; RMG #428 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(71)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #429; RMG #429 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C9H17LR(71)<=>C3H5L(59)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #430; RMG #430 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C9H17LR(71)<=>C4H7R(60)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #431; RMG #431 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(71)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #432; RMG #432 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C7H14R(9)+C9H17LR(71)<=>C7H13R(62)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #433; RMG #433 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C9H17LR(71)<=>C6H11L(63)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #434; RMG #434 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #435; RMG #435 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #436; RMG #436 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #437; RMG #437 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(67); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #438; RMG #438 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(68); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(68)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #439; RMG #439 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #440; RMG #440 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(70); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(70)+RC10L(1) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #441; RMG #441 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+RC10L(1)<=>CCCC(C)CR(32)+C9H17LR(72) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #442; RMG #442 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+RC10L(1)<=>CC(C)L(13)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #443; RMG #443 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+RC10L(1)<=>CC(C)CR(20)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #444; RMG #444 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+RC10L(1)<=>CCCC(C)L(16)+C9H17LR(72) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #445; RMG #445 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H14R(9)+RC10L(1)<=>CC(C)CC(C)CR(23)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #446; RMG #446 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+RC10L(1)<=>CCL(26)+C9H17LR(72) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #447; RMG #447 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+RC10L(1)<=>CCCR(27)+C9H17LR(72) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #448; RMG #448 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H12L(11)+RC10L(1)<=>CC(C)CC(C)L(25)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #449; RMG #449 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(72)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #450; RMG #450 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #451; RMG #451 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C8H16L(15), C8H17L(49); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H16L(15)+RC10L(1)<=>C8H17L(49)+C9H17LR(72) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #452; RMG #452 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(72)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #453; RMG #453 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(72)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #454; RMG #454 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(72)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #455; RMG #455 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(72)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #456; RMG #456 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(72)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #457; RMG #457 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(72)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #458; RMG #458 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(72)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #459; RMG #459 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C9H17LR(72)<=>C3H5L(59)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #460; RMG #460 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H17LR(72); C[CH]CC(C)CR(5), C9H17LR(72); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5L(59)+C[CH]CC(C)CR(5)<=>C9H17LR(72) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #461; RMG #461 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C9H17LR(72)<=>C4H7R(60)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #462; RMG #462 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(72)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #463; RMG #463 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C9H17LR(72)<=>C7H13R(62)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #464; RMG #464 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C9H17LR(72)<=>C6H11L(63)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #465; RMG #465 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); RC10L(1), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H20R(64)<=>C9H17LR(72)+RC10(2) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #466; RMG #466 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(72), C9H17LR(65); -! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(72)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 5.420000e-04 4.340 4.900 - -! Reaction index: Chemkin #467; RMG #467 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(66), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(66)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #468; RMG #468 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(67), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(67)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #469; RMG #469 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(68), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(68)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #470; RMG #470 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(72), C9H17LR(69); -! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(72)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 5.420000e-04 4.340 4.900 - -! Reaction index: Chemkin #471; RMG #471 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(70), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(70)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #472; RMG #472 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(71), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(71)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #473; RMG #473 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C9H17LR(73)<=>C[CH]CC(C)CR(5)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #474; RMG #474 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CC(C)L(13), [CH2]C(C)L(4); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)L(13)+C9H17LR(73)<=>[CH2]C(C)L(4)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #475; RMG #475 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CR(20), [CH2]C(C)CR(6); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CR(20)+C9H17LR(73)<=>[CH2]C(C)CR(6)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #476; RMG #476 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C9H17LR(73)<=>C[CH]CC(C)L(7)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #477; RMG #477 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CC(C)CR(23), C7H14R(9); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CC(C)CR(23)+C9H17LR(73)<=>C7H14R(9)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #478; RMG #478 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C9H17LR(73)<=>C[CH]L(8)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #479; RMG #479 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C9H17LR(73)<=>C[CH]CR(10)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #480; RMG #480 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CC(C)L(25), C6H12L(11); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CC(C)L(25)+C9H17LR(73)<=>C6H12L(11)+RC10L(1) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #481; RMG #481 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H17LR(73)<=>C3H5R(12)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #482; RMG #482 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(73); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+RC10L(1)<=>CR(22)+C9H17LR(73) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #483; RMG #483 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C9H17LR(73)<=>C8H16L(15)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #484; RMG #484 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H17LR(73)<=>C6H11R(17)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #485; RMG #485 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]C(C)L(4), C9H17LR(73); C6H11R(17), C9H17LR(73); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]C(C)L(4)+C6H11R(17)<=>C9H17LR(73) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #486; RMG #486 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H17LR(73)<=>C2H3L(19)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #487; RMG #487 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H17LR(73)<=>C8H15L(21)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #488; RMG #488 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H17LR(73)<=>C5H9L(24)+RC10L(1) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #489; RMG #489 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]C(C)CR(6), C9H17LR(73); C5H9L(24), C9H17LR(73); -! From training reaction 2938 used for Cds-CsH_Cds-HH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]C(C)CR(6)+C5H9L(24)<=>C9H17LR(73) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #490; RMG #490 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H17LR(73)<=>C6H11R(56)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #491; RMG #491 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H17LR(73)<=>C5H9L(57)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #492; RMG #492 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H17LR(73)<=>C3H5R(58)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #493; RMG #493 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C9H17LR(73)<=>C3H5L(59)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #494; RMG #494 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C9H17LR(73)<=>C4H7R(60)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #495; RMG #495 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H17LR(73)<=>C8H15L(61)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #496; RMG #496 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C7H14R(9)+C9H17LR(73)<=>C7H13R(62)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #497; RMG #497 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C9H17LR(73)<=>C6H11L(63)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #498; RMG #498 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+RC10(2)<=>RC10L(1)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #499; RMG #499 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(65)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #500; RMG #500 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(66)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #501; RMG #501 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(67); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(67)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #502; RMG #502 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(68); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(68)+RC10L(1) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #503; RMG #503 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(69)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #504; RMG #504 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(70); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(70)+RC10L(1) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #505; RMG #505 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(71); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(71)+RC10L(1) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #506; RMG #506 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), RC10L(1); C9H17LR(73), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C9H17LR(73)+RC10L(1)<=>C9H17LR(72)+RC10L(1) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #507; RMG #507 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), [CH2]C(C)L(4); C2H3L(19), [CH2]C(C)L(4); -! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C2H3L(19)<=>[CH2]C(C)L(4) 1.580000e+02 2.966 6.337 - -! Reaction index: Chemkin #508; RMG #508 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), [CH2]C(C)CR(6); C3H5R(12), [CH2]C(C)CR(6); -! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C3H5R(12)<=>[CH2]C(C)CR(6) 1.580000e+02 2.966 6.337 - -! Reaction index: Chemkin #509; RMG #509 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C7H14R(9); C6H11R(17), C7H14R(9); -! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C6H11R(17)<=>C7H14R(9) 1.580000e+02 2.966 6.337 - -! Reaction index: Chemkin #510; RMG #510 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C6H12L(11); C5H9L(24), C6H12L(11); -! From training reaction 2929 used for Cds-CsH_Cds-HH;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C5H9L(24)<=>C6H12L(11) 1.580000e+02 2.966 6.337 - -! Reaction index: Chemkin #511; RMG #511 -! Library reaction: restart -! Flux pairs: CH3(74), CC(C)L(13); C[CH]L(8), CC(C)L(13); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C[CH]L(8)<=>CC(C)L(13) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #512; RMG #512 -! Library reaction: restart -! Flux pairs: CH3(74), CC(C)CR(20); C[CH]CR(10), CC(C)CR(20); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C[CH]CR(10)<=>CC(C)CR(20) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #513; RMG #513 -! Library reaction: restart -! Flux pairs: CH3(74), CC(C)CC(C)CR(23); C[CH]CC(C)CR(5), CC(C)CC(C)CR(23); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C[CH]CC(C)CR(5)<=>CC(C)CC(C)CR(23) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #514; RMG #514 -! Library reaction: restart -! Flux pairs: CH3(74), CC(C)CC(C)L(25); C[CH]CC(C)L(7), CC(C)CC(C)L(25); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C[CH]CC(C)L(7)<=>CC(C)CC(C)L(25) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #515; RMG #515 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); CH3(74), C(75); -! From training reaction 953 used for C/H/Cs3;C_methyl -! Exact match found for rate rule [C/H/Cs3;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(65) 1.130000e-02 4.340 7.690 - -! Reaction index: Chemkin #516; RMG #516 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); CH3(74), C(75); -! From training reaction 953 used for C/H/Cs3;C_methyl -! Exact match found for rate rule [C/H/Cs3;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(69) 1.130000e-02 4.340 7.690 - -! Reaction index: Chemkin #517; RMG #517 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(66) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #518; RMG #518 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(68) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #519; RMG #519 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); CH3(74), C(75); -! From training reaction 953 used for C/H/Cs3;C_methyl -! Exact match found for rate rule [C/H/Cs3;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(72) 1.130000e-02 4.340 7.690 - -! Reaction index: Chemkin #520; RMG #520 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(73); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(73) 1.419000e+00 3.600 11.050 - -! Reaction index: Chemkin #521; RMG #521 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(71); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(71) 1.419000e+00 3.600 11.050 - -! Reaction index: Chemkin #522; RMG #522 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(67) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #523; RMG #523 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(70); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+RC10L(1)<=>C(75)+C9H17LR(70) 1.419000e+00 3.600 11.050 - -! Reaction index: Chemkin #524; RMG #524 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+RC10(2)<=>C(75)+C10H20R(64) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #525; RMG #525 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -CH3(74)+[CH2]C(C)CR(6)<=>C(75)+C4H7R(60) 3.543620e+12 -0.187 0.000 - -! Reaction index: Chemkin #526; RMG #526 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(58) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #527; RMG #527 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(12); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(12) 1.225850e+27 -4.376 3.228 - -! Reaction index: Chemkin #528; RMG #528 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(59); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -CH3(74)+[CH2]C(C)L(4)<=>C(75)+C3H5L(59) 3.543620e+12 -0.187 0.000 - -! Reaction index: Chemkin #529; RMG #529 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C2H3L(19); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C[CH]L(8)<=>C(75)+C2H3L(19) 1.225850e+27 -4.376 3.228 - -! Reaction index: Chemkin #530; RMG #530 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -CH3(74)+C6H12L(11)<=>C(75)+C6H11L(63) 3.543620e+12 -0.187 0.000 - -! Reaction index: Chemkin #531; RMG #531 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)L(13), [CH2]C(C)L(4); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+CC(C)L(13)<=>C(75)+[CH2]C(C)L(4) 2.838000e+00 3.600 11.050 - -! Reaction index: Chemkin #532; RMG #532 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+CCCC(C)L(16)<=>C(75)+C[CH]CC(C)L(7) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #533; RMG #533 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+CC(C)CR(20)<=>C(75)+[CH2]C(C)CR(6) 2.838000e+00 3.600 11.050 - -! Reaction index: Chemkin #534; RMG #534 -! Template reaction: H_Abstraction -! Flux pairs: CR(22), C(75); CH3(74), [CH2]R(14); -! Estimated using template [C/H3/Cs\OneNonDe;C_methyl] for rate rule [C/H3/Cs\H2\Cs;C_methyl] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+CR(22)<=>[CH2]R(14)+C(75) 2.000000e+00 3.570 7.717 - -! Reaction index: Chemkin #535; RMG #535 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+CC(C)CC(C)CR(23)<=>C(75)+C7H14R(9) 2.838000e+00 3.600 11.050 - -! Reaction index: Chemkin #536; RMG #536 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+CC(C)CC(C)L(25)<=>C(75)+C6H12L(11) 2.838000e+00 3.600 11.050 - -! Reaction index: Chemkin #537; RMG #537 -! Template reaction: H_Abstraction -! Flux pairs: CCL(26), C[CH]L(8); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+CCL(26)<=>C(75)+C[CH]L(8) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #538; RMG #538 -! Template reaction: H_Abstraction -! Flux pairs: CCCR(27), C[CH]CR(10); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+CCCR(27)<=>C(75)+C[CH]CR(10) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #539; RMG #539 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+CCCC(C)CR(32)<=>C(75)+C[CH]CC(C)CR(5) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #540; RMG #540 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+C8H17L(49)<=>C(75)+C8H16L(15) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #541; RMG #541 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C10H20L(76)<=>C[CH]CC(C)CR(5)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #542; RMG #542 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+LC10(3)<=>CC(C)L(13)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #543; RMG #543 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+LC10(3)<=>CC(C)CR(20)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #544; RMG #544 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C10H20L(76)<=>C[CH]CC(C)L(7)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #545; RMG #545 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+LC10(3)<=>CC(C)CC(C)CR(23)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #546; RMG #546 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C10H20L(76)<=>C[CH]L(8)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #547; RMG #547 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C10H20L(76)<=>C[CH]CR(10)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #548; RMG #548 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+LC10(3)<=>CC(C)CC(C)L(25)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #549; RMG #549 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C10H20L(76)<=>C3H5R(12)+LC10(3) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #550; RMG #550 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+LC10(3)<=>CR(22)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #551; RMG #551 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C8H17L(49)+C10H20L(76)<=>C8H16L(15)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #552; RMG #552 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C10H20L(76)<=>C6H11R(17)+LC10(3) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #553; RMG #553 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C10H20L(76)<=>C2H3L(19)+LC10(3) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #554; RMG #554 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C10H20L(76)<=>C8H15L(21)+LC10(3) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #555; RMG #555 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C10H20L(76)<=>C5H9L(24)+LC10(3) 1.225850e+27 -4.376 4.138 - -! Reaction index: Chemkin #556; RMG #556 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H20L(76)<=>C6H11R(56)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #557; RMG #557 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H20L(76)<=>C5H9L(57)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #558; RMG #558 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H20L(76)<=>C3H5R(58)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #559; RMG #559 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C10H20L(76)<=>C3H5L(59)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #560; RMG #560 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C10H20L(76)<=>C4H7R(60)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #561; RMG #561 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H20L(76)<=>C8H15L(61)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #562; RMG #562 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C10H20L(76)<=>C7H13R(62)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #563; RMG #563 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C10H20L(76)<=>C6H11L(63)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #564; RMG #564 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), LC10(3); C10H20L(76), C10H20R(64); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C10H20L(76)+RC10(2)<=>C10H20R(64)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #565; RMG #565 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H20L(76)<=>C9H17LR(65)+LC10(3) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #566; RMG #566 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -RC10L(1)+C10H20L(76)<=>C9H17LR(66)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #567; RMG #567 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(67); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -RC10L(1)+C10H20L(76)<=>C9H17LR(67)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #568; RMG #568 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(68); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -RC10L(1)+C10H20L(76)<=>C9H17LR(68)+LC10(3) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #569; RMG #569 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+LC10(3)<=>RC10L(1)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #570; RMG #570 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H20L(76)<=>C9H17LR(69)+LC10(3) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #571; RMG #571 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+LC10(3)<=>RC10L(1)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #572; RMG #572 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+LC10(3)<=>RC10L(1)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #573; RMG #573 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); CH3(74), C(75); -! Estimated using an average for rate rule [C/H2/NonDeC;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+LC10(3)<=>C(75)+C10H20L(76) 1.606000e-02 4.340 6.610 - -! Reaction index: Chemkin #574; RMG #574 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); RC10L(1), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H20L(76)<=>C9H17LR(72)+LC10(3) 1.277120e-04 4.473 6.257 - -! Reaction index: Chemkin #575; RMG #575 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C[CH]CC(C)CR(5)<=>C(75)+C6H11R(17) 1.225850e+27 -4.376 3.114 - -! Reaction index: Chemkin #576; RMG #576 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C8H16L(15)<=>C(75)+C8H15L(21) 1.225850e+27 -4.376 3.114 - -! Reaction index: Chemkin #577; RMG #577 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C[CH]CC(C)L(7)<=>C(75)+C5H9L(24) 1.225850e+27 -4.376 3.114 - -! Reaction index: Chemkin #578; RMG #578 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C[CH]CC(C)CR(5)<=>C(75)+C6H11R(56) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #579; RMG #579 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C[CH]CC(C)CR(5)<=>C(75)+C6H11R(56) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #580; RMG #580 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C[CH]CC(C)L(7)<=>C(75)+C5H9L(57) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #581; RMG #581 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C[CH]CC(C)L(7)<=>C(75)+C5H9L(57) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #582; RMG #582 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(58) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #583; RMG #583 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C[CH]CR(10)<=>C(75)+C3H5R(58) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #584; RMG #584 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C8H16L(15)<=>C(75)+C8H15L(61) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #585; RMG #585 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C8H16L(15)<=>C(75)+C8H15L(61) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #586; RMG #586 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -CH3(74)+C7H14R(9)<=>C(75)+C7H13R(62) 3.543620e+12 -0.187 0.000 - -! Reaction index: Chemkin #587; RMG #587 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C5H9L(57)<=>CCCR(27)+C5H8L(77) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #588; RMG #588 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H9L(57)<=>CC(C)L(13)+C5H8L(77) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #589; RMG #589 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C5H9L(57)<=>CCL(26)+C5H8L(77) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #590; RMG #590 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C5H8L(77)<=>C3H5R(12)+C5H9L(57) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #591; RMG #591 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C5H9L(57)<=>CR(22)+C5H8L(77) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #592; RMG #592 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(17) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #593; RMG #593 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C5H8L(77)<=>C2H3L(19)+C5H9L(57) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #594; RMG #594 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C8H16L(15)<=>C5H9L(57)+C8H15L(21) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #595; RMG #595 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(77), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(57) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #596; RMG #596 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #597; RMG #597 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(57)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #598; RMG #598 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C5H8L(77)<=>C3H5R(58)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #599; RMG #599 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C5H8L(77)<=>C3H5L(59)+C5H9L(57) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #600; RMG #600 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C5H8L(77)<=>C4H7R(60)+C5H9L(57) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #601; RMG #601 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H9L(57)<=>CC(C)CR(20)+C5H8L(77) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #602; RMG #602 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C[CH]CC(C)L(7)<=>C5H8L(77)+CCCC(C)L(16) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #603; RMG #603 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C8H16L(15)<=>C5H9L(57)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #604; RMG #604 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(77)+C7H14R(9)<=>C5H9L(57)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #605; RMG #605 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(77)+C6H12L(11)<=>C5H9L(57)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #606; RMG #606 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C10H20R(64)<=>C5H8L(77)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #607; RMG #607 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C5H9L(57), C5H8L(77); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(65)<=>C5H8L(77)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #608; RMG #608 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C[CH]CC(C)CR(5)<=>C5H8L(77)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #609; RMG #609 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C7H14R(9)<=>C5H8L(77)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #610; RMG #610 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H12L(11)<=>C5H8L(77)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #611; RMG #611 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(66)<=>C5H8L(77)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #612; RMG #612 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(67)<=>C5H8L(77)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #613; RMG #613 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(68)<=>C5H8L(77)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #614; RMG #614 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C8H16L(15)<=>C5H8L(77)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #615; RMG #615 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C5H9L(57), C5H8L(77); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(69)<=>C5H8L(77)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #616; RMG #616 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(70)<=>C5H8L(77)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #617; RMG #617 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(71)<=>C5H8L(77)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #618; RMG #618 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C5H9L(57), C5H8L(77); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(72)<=>C5H8L(77)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #619; RMG #619 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(73)<=>C5H8L(77)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #620; RMG #620 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C5H9L(57)<=>C(75)+C5H8L(77) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #621; RMG #621 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C10H20L(76)<=>C5H8L(77)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #622; RMG #622 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+[CH2]C(C)CR(6)<=>C3H4R(78)+CC(C)CR(20) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #623; RMG #623 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CR(10), CCCR(27); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C[CH]CR(10)<=>C3H4R(78)+CCCR(27) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #624; RMG #624 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C[CH]CC(C)CR(5)<=>C3H4R(78)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #625; RMG #625 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+[CH2]C(C)L(4)<=>C3H4R(78)+CC(C)L(13) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #626; RMG #626 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C7H14R(9)<=>C3H4R(78)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #627; RMG #627 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C[CH]CC(C)L(7)<=>C3H4R(78)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #628; RMG #628 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(12), C3H4R(78); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C3H5R(12)<=>CCL(26)+C3H4R(78) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #629; RMG #629 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C6H12L(11)<=>C3H4R(78)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #630; RMG #630 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(12); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(12) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #631; RMG #631 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(12), C3H4R(78); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C3H5R(12)<=>CR(22)+C3H4R(78) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #632; RMG #632 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C8H16L(15)<=>C3H4R(78)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #633; RMG #633 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(12)+C6H11R(17) 1.225850e+27 -4.376 6.739 - -! Reaction index: Chemkin #634; RMG #634 -! Library reaction: restart -! Flux pairs: C3H4R(78), C3H5R(12); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C3H4R(78)<=>C2H3L(19)+C3H5R(12) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #635; RMG #635 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C8H16L(15)<=>C3H5R(12)+C8H15L(21) 1.225850e+27 -4.376 6.739 - -! Reaction index: Chemkin #636; RMG #636 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(12)+C5H9L(24) 1.225850e+27 -4.376 6.739 - -! Reaction index: Chemkin #637; RMG #637 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(12)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #638; RMG #638 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+[CH2]C(C)CR(6)<=>C3H4R(78)+CC(C)CR(20) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #639; RMG #639 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CR(10), CCCR(27); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C[CH]CR(10)<=>C3H4R(78)+CCCR(27) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #640; RMG #640 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C[CH]CC(C)CR(5)<=>C3H4R(78)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #641; RMG #641 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+[CH2]C(C)L(4)<=>C3H4R(78)+CC(C)L(13) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #642; RMG #642 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C7H14R(9)<=>C3H4R(78)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #643; RMG #643 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C[CH]CC(C)L(7)<=>C3H4R(78)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #644; RMG #644 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(58), C3H4R(78); C[CH]L(8), CCL(26); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C3H5R(58)<=>CCL(26)+C3H4R(78) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #645; RMG #645 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C6H12L(11)<=>C3H4R(78)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #646; RMG #646 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(12)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #647; RMG #647 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #648; RMG #648 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.225850e+27 -4.376 6.263 -DUPLICATE - -! Reaction index: Chemkin #649; RMG #649 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(58), C3H4R(78); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C3H5R(58)<=>CR(22)+C3H4R(78) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #650; RMG #650 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(58)+C6H11R(17) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #651; RMG #651 -! Library reaction: restart -! Flux pairs: C3H4R(78), C3H5R(58); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C3H4R(78)<=>C2H3L(19)+C3H5R(58) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #652; RMG #652 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C8H16L(15)<=>C3H5R(58)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #653; RMG #653 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(58)+C5H9L(24) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #654; RMG #654 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CC(C)CR(5)<=>C3H5R(58)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #655; RMG #655 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CC(C)L(7)<=>C3H5R(58)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #656; RMG #656 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CR(10)<=>C3H5R(58)+C3H5R(58) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #657; RMG #657 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5R(12); C3H4R(78), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5R(12) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #658; RMG #658 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5R(58); C3H4R(78), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5R(58) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #659; RMG #659 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+[CH2]C(C)CR(6)<=>C3H5R(12)+C4H7R(60) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #660; RMG #660 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+[CH2]C(C)CR(6)<=>C3H5R(58)+C4H7R(60) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #661; RMG #661 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C8H16L(15)<=>C3H5R(12)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #662; RMG #662 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C8H16L(15)<=>C3H5R(58)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #663; RMG #663 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+C7H14R(9)<=>C3H5R(12)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #664; RMG #664 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+C7H14R(9)<=>C3H5R(58)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #665; RMG #665 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+C6H12L(11)<=>C3H5R(12)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #666; RMG #666 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+C6H12L(11)<=>C3H5R(58)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #667; RMG #667 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C10H20R(64)<=>C3H4R(78)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #668; RMG #668 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C10H20R(64)<=>C3H4R(78)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #669; RMG #669 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C3H4R(78), C3H5R(12); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+RC10L(1)<=>C3H5R(12)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #670; RMG #670 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C8H16L(15)<=>C3H4R(78)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #671; RMG #671 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C3H4R(78), C3H5R(58); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+RC10L(1)<=>C3H5R(58)+C9H17LR(65) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #672; RMG #672 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C9H17LR(66)<=>C3H4R(78)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #673; RMG #673 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C9H17LR(66)<=>C3H4R(78)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #674; RMG #674 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C9H17LR(67)<=>C3H4R(78)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #675; RMG #675 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C9H17LR(67)<=>C3H4R(78)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #676; RMG #676 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C9H17LR(68)<=>C3H4R(78)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #677; RMG #677 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C9H17LR(68)<=>C3H4R(78)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #678; RMG #678 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C3H4R(78), C3H5R(58); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+RC10L(1)<=>C3H5R(58)+C9H17LR(69) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #679; RMG #679 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C9H17LR(70)<=>C3H4R(78)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #680; RMG #680 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C9H17LR(70)<=>C3H4R(78)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #681; RMG #681 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C3H4R(78), C3H5R(12); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+RC10L(1)<=>C3H5R(12)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #682; RMG #682 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C9H17LR(71)<=>C3H4R(78)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #683; RMG #683 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C9H17LR(71)<=>C3H4R(78)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #684; RMG #684 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C3H4R(78), C3H5R(12); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+RC10L(1)<=>C3H5R(12)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #685; RMG #685 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C3H4R(78), C3H5R(58); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+RC10L(1)<=>C3H5R(58)+C9H17LR(72) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #686; RMG #686 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C9H17LR(73)<=>C3H4R(78)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #687; RMG #687 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C9H17LR(73)<=>C3H4R(78)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #688; RMG #688 -! Template reaction: H_Abstraction -! Flux pairs: C3H4R(78), C3H5R(12); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C3H4R(78)<=>CH3(74)+C3H5R(12) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #689; RMG #689 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(58), C3H4R(78); CH3(74), C(75); -! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C3H5R(58)<=>C(75)+C3H4R(78) 7.200000e-02 4.250 7.530 - -! Reaction index: Chemkin #690; RMG #690 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C10H20L(76)<=>C3H4R(78)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #691; RMG #691 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C10H20L(76)<=>C3H4R(78)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #692; RMG #692 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C5H9L(57)<=>C3H5R(12)+C5H8L(77) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #693; RMG #693 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C5H9L(57)<=>C3H5R(58)+C5H8L(77) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #694; RMG #694 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(12), C3H5R(58); C3H4R(78), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C3H5R(12)<=>C3H4R(78)+C3H5R(58) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #695; RMG #695 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C4H7R(60)<=>CCCR(27)+C4H6R(79) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #696; RMG #696 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C4H7R(60)<=>CC(C)L(13)+C4H6R(79) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #697; RMG #697 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C4H7R(60)<=>CCL(26)+C4H6R(79) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #698; RMG #698 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(60); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C4H6R(79)<=>C3H5R(12)+C4H7R(60) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #699; RMG #699 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C4H7R(60)<=>CR(22)+C4H6R(79) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #700; RMG #700 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(17) 1.225850e+27 -4.376 6.739 - -! Reaction index: Chemkin #701; RMG #701 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(60); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C4H6R(79)<=>C2H3L(19)+C4H7R(60) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #702; RMG #702 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C8H16L(15)<=>C4H7R(60)+C8H15L(21) 1.225850e+27 -4.376 6.739 - -! Reaction index: Chemkin #703; RMG #703 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(24) 1.225850e+27 -4.376 6.739 - -! Reaction index: Chemkin #704; RMG #704 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #705; RMG #705 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #706; RMG #706 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(60); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C4H6R(79)<=>C3H5R(58)+C4H7R(60) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #707; RMG #707 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(60); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C4H6R(79)<=>C3H5L(59)+C4H7R(60) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #708; RMG #708 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C4H6R(79)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7R(60) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #709; RMG #709 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C4H6R(79)+C7H14R(9)<=>C4H7R(60)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #710; RMG #710 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C4H6R(79)+C6H12L(11)<=>C4H7R(60)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #711; RMG #711 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C10H20R(64)<=>C4H6R(79)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #712; RMG #712 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C[CH]CC(C)L(7)<=>C4H6R(79)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #713; RMG #713 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C8H16L(15)<=>C4H7R(60)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #714; RMG #714 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C4H6R(79), C4H7R(60); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+RC10L(1)<=>C4H7R(60)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #715; RMG #715 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+[CH2]C(C)CR(6)<=>C4H6R(79)+CC(C)CR(20) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #716; RMG #716 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C[CH]CC(C)CR(5)<=>C4H6R(79)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #717; RMG #717 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C7H14R(9)<=>C4H6R(79)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #718; RMG #718 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C6H12L(11)<=>C4H6R(79)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #719; RMG #719 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C8H16L(15)<=>C4H6R(79)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #720; RMG #720 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(66)<=>C4H6R(79)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #721; RMG #721 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(67)<=>C4H6R(79)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #722; RMG #722 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(68)<=>C4H6R(79)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #723; RMG #723 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C4H6R(79), C4H7R(60); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+RC10L(1)<=>C4H7R(60)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #724; RMG #724 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(70)<=>C4H6R(79)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #725; RMG #725 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(71)<=>C4H6R(79)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #726; RMG #726 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C4H6R(79), C4H7R(60); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+RC10L(1)<=>C4H7R(60)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #727; RMG #727 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(73)<=>C4H6R(79)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #728; RMG #728 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(60); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C4H6R(79)<=>CH3(74)+C4H7R(60) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #729; RMG #729 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C10H20L(76)<=>C4H6R(79)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #730; RMG #730 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C5H9L(57)<=>C4H7R(60)+C5H8L(77) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #731; RMG #731 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(60); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C4H6R(79)<=>C3H4R(78)+C4H7R(60) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #732; RMG #732 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C4H7R(60)<=>C3H5R(58)+C4H6R(79) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #733; RMG #733 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #734; RMG #734 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C[CH]CR(10)<=>C3H5R(12)+C3H5R(58) 1.225850e+27 -4.376 6.263 -DUPLICATE - -! Reaction index: Chemkin #735; RMG #735 -! Library reaction: restart -! Flux pairs: C4H6R(79), C[C]1CC1R(80); -! Estimated from node Backbone0 -C4H6R(79)<=>C[C]1CC1R(80) 1.014560e+05 2.304 30.041 - -! Reaction index: Chemkin #736; RMG #736 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(65)<=>C4H6R(79)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #737; RMG #737 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(69)<=>C4H6R(79)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #738; RMG #738 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(66)<=>C4H6R(79)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #739; RMG #739 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(68)<=>C4H6R(79)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #740; RMG #740 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(72)<=>C4H6R(79)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #741; RMG #741 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(73)<=>C4H6R(79)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #742; RMG #742 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(71)<=>C4H6R(79)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #743; RMG #743 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(67)<=>C4H6R(79)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #744; RMG #744 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C9H17LR(70)<=>C4H6R(79)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #745; RMG #745 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C10H20R(64)<=>C4H6R(79)+RC10(2) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #746; RMG #746 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C10H20L(76)<=>C4H6R(79)+LC10(3) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #747; RMG #747 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(81); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C4H6R(79)<=>C3H5R(58)+C4H7R(81) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #748; RMG #748 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(81); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C4H6R(79)<=>C3H5R(12)+C4H7R(81) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #749; RMG #749 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(81); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C4H6R(79)<=>C2H3L(19)+C4H7R(81) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #750; RMG #750 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(81); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C4H6R(79)<=>C3H4R(78)+C4H7R(81) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #751; RMG #751 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C4H7R(81)<=>CC(C)L(13)+C4H6R(79) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #752; RMG #752 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C[CH]CC(C)L(7)<=>C4H6R(79)+CCCC(C)L(16) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #753; RMG #753 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+[CH2]C(C)CR(6)<=>C4H6R(79)+CC(C)CR(20) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #754; RMG #754 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+C4H7R(81)<=>CR(22)+C4H6R(79) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #755; RMG #755 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C7H14R(9)<=>C4H6R(79)+CC(C)CC(C)CR(23) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #756; RMG #756 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C6H12L(11)<=>C4H6R(79)+CC(C)CC(C)L(25) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #757; RMG #757 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]L(8)+C4H7R(81)<=>CCL(26)+C4H6R(79) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #758; RMG #758 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CR(10)+C4H7R(81)<=>CCCR(27)+C4H6R(79) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #759; RMG #759 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C[CH]CC(C)CR(5)<=>C4H6R(79)+CCCC(C)CR(32) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #760; RMG #760 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C8H16L(15)<=>C4H6R(79)+C8H17L(49) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #761; RMG #761 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C5H9L(57)<=>C4H7R(81)+C5H8L(77) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #762; RMG #762 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4R(78)+C4H7R(81)<=>C3H5R(58)+C4H6R(79) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #763; RMG #763 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H7R(81); C4H6R(79), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C4H7R(60)<=>C4H6R(79)+C4H7R(81) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #764; RMG #764 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+C4H7R(81)<=>C(75)+C4H6R(79) 1.350560e-01 4.253 7.537 - -! Reaction index: Chemkin #765; RMG #765 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(81)+C6H11R(17) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #766; RMG #766 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C8H16L(15)<=>C4H7R(81)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #767; RMG #767 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(81)+C5H9L(24) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #768; RMG #768 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C[CH]CC(C)CR(5)<=>C4H7R(81)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #769; RMG #769 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C[CH]CC(C)L(7)<=>C4H7R(81)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #770; RMG #770 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(81); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C4H6R(79)<=>C3H5L(59)+C4H7R(81) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #771; RMG #771 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(81); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6R(79)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7R(81) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #772; RMG #772 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C8H16L(15)<=>C4H7R(81)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #773; RMG #773 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6R(79)+C7H14R(9)<=>C4H7R(81)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #774; RMG #774 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6R(79)+C6H12L(11)<=>C4H7R(81)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #775; RMG #775 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(65), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -H(82)+C9H17LR(65)<=>RC10L(1) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #776; RMG #776 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(69), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -H(82)+C9H17LR(69)<=>RC10L(1) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #777; RMG #777 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(66), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C9H17LR(66)<=>RC10L(1) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #778; RMG #778 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(68), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C9H17LR(68)<=>RC10L(1) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #779; RMG #779 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(72), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -H(82)+C9H17LR(72)<=>RC10L(1) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #780; RMG #780 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(73), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+C9H17LR(73)<=>RC10L(1) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #781; RMG #781 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(71), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+C9H17LR(71)<=>RC10L(1) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #782; RMG #782 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(67), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C9H17LR(67)<=>RC10L(1) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #783; RMG #783 -! Library reaction: restart -! Flux pairs: H(82), RC10L(1); C9H17LR(70), RC10L(1); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+C9H17LR(70)<=>RC10L(1) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #784; RMG #784 -! Library reaction: restart -! Flux pairs: H(82), RC10(2); C10H20R(64), RC10(2); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C10H20R(64)<=>RC10(2) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #785; RMG #785 -! Library reaction: restart -! Flux pairs: H(82), LC10(3); C10H20L(76), LC10(3); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C10H20L(76)<=>LC10(3) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #786; RMG #786 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]CC(C)CR(5); C6H11R(56), C[CH]CC(C)CR(5); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H11R(56)<=>C[CH]CC(C)CR(5) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #787; RMG #787 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]CC(C)CR(5); C6H11R(17), C[CH]CC(C)CR(5); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H11R(17)<=>C[CH]CC(C)CR(5) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #788; RMG #788 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), [CH2]C(C)L(4); C3H5L(59), [CH2]C(C)L(4); -! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ -! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C3H5L(59)<=>[CH2]C(C)L(4) 5.075180e+03 2.822 -1.156 - -! Reaction index: Chemkin #789; RMG #789 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), [CH2]C(C)CR(6); C4H7R(60), [CH2]C(C)CR(6); -! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ -! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C4H7R(60)<=>[CH2]C(C)CR(6) 5.075180e+03 2.822 -1.156 - -! Reaction index: Chemkin #790; RMG #790 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]CC(C)L(7); C5H9L(57), C[CH]CC(C)L(7); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C5H9L(57)<=>C[CH]CC(C)L(7) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #791; RMG #791 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]CC(C)L(7); C5H9L(24), C[CH]CC(C)L(7); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C5H9L(24)<=>C[CH]CC(C)L(7) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #792; RMG #792 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C7H14R(9); C7H13R(62), C7H14R(9); -! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ -! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C7H13R(62)<=>C7H14R(9) 5.075180e+03 2.822 -1.156 - -! Reaction index: Chemkin #793; RMG #793 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]L(8); C2H3L(19), C[CH]L(8); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C2H3L(19)<=>C[CH]L(8) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #794; RMG #794 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]CR(10); C3H5R(58), C[CH]CR(10); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C3H5R(58)<=>C[CH]CR(10) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #795; RMG #795 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]CR(10); C3H5R(12), C[CH]CR(10); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C3H5R(12)<=>C[CH]CR(10) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #796; RMG #796 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H12L(11); C6H11L(63), C6H12L(11); -! From training reaction 102 used for Cds-CsCs_Cds-HH;HJ -! Exact match found for rate rule [Cds-CsCs_Cds-HH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H11L(63)<=>C6H12L(11) 5.075180e+03 2.822 -1.156 - -! Reaction index: Chemkin #797; RMG #797 -! Library reaction: restart -! Flux pairs: H(82), C3H5R(12); C3H4R(78), C3H5R(12); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C3H4R(78)<=>C3H5R(12) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #798; RMG #798 -! Library reaction: restart -! Flux pairs: H(82), CC(C)L(13); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+[CH2]C(C)L(4)<=>CC(C)L(13) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #799; RMG #799 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C8H16L(15); C8H15L(61), C8H16L(15); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C8H15L(61)<=>C8H16L(15) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #800; RMG #800 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C8H16L(15); C8H15L(21), C8H16L(15); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C8H15L(21)<=>C8H16L(15) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #801; RMG #801 -! Library reaction: restart -! Flux pairs: H(82), CCCC(C)L(16); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C[CH]CC(C)L(7)<=>CCCC(C)L(16) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #802; RMG #802 -! Library reaction: restart -! Flux pairs: H(82), CC(C)CR(20); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+[CH2]C(C)CR(6)<=>CC(C)CR(20) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #803; RMG #803 -! Library reaction: restart -! Flux pairs: H(82), CR(22); [CH2]R(14), CR(22); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+[CH2]R(14)<=>CR(22) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #804; RMG #804 -! Library reaction: restart -! Flux pairs: H(82), CC(C)CC(C)CR(23); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+C7H14R(9)<=>CC(C)CC(C)CR(23) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #805; RMG #805 -! Library reaction: restart -! Flux pairs: H(82), CC(C)CC(C)L(25); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+C6H12L(11)<=>CC(C)CC(C)L(25) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #806; RMG #806 -! Library reaction: restart -! Flux pairs: H(82), CCL(26); C[CH]L(8), CCL(26); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C[CH]L(8)<=>CCL(26) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #807; RMG #807 -! Library reaction: restart -! Flux pairs: H(82), CCCR(27); C[CH]CR(10), CCCR(27); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C[CH]CR(10)<=>CCCR(27) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #808; RMG #808 -! Library reaction: restart -! Flux pairs: H(82), CCCC(C)CR(32); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C[CH]CC(C)CR(5)<=>CCCC(C)CR(32) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #809; RMG #809 -! Library reaction: restart -! Flux pairs: H(82), C8H17L(49); C8H16L(15), C8H17L(49); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -H(82)+C8H16L(15)<=>C8H17L(49) 1.766370e+13 0.153 0.000 - -! Reaction index: Chemkin #810; RMG #810 -! Library reaction: restart -! Flux pairs: H(82), C5H9L(57); C5H8L(77), C5H9L(57); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -H(82)+C5H8L(77)<=>C5H9L(57) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #811; RMG #811 -! Library reaction: restart -! Flux pairs: H(82), C3H5R(58); C3H4R(78), C3H5R(58); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C3H4R(78)<=>C3H5R(58) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #812; RMG #812 -! Library reaction: restart -! Flux pairs: H(82), C4H7R(60); C4H6R(79), C4H7R(60); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C4H6R(79)<=>C4H7R(60) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #813; RMG #813 -! Template reaction: R_Recombination -! Flux pairs: H(82), C(75); CH3(74), C(75); -! Matched reaction 57 H + CH3 <=> CH4 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O] -! family: R_Recombination -H(82)+CH3(74)<=>C(75) 1.930000e+14 0.000 0.270 - -! Reaction index: Chemkin #814; RMG #814 -! Library reaction: restart -! Flux pairs: H(82), C4H7R(81); C4H6R(79), C4H7R(81); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C4H6R(79)<=>C4H7R(81) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #815; RMG #815 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); H(82), [H][H](83); -! From training reaction 952 used for C/H/Cs3;H_rad -! Exact match found for rate rule [C/H/Cs3;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(65) 4.760000e-01 4.340 2.000 - -! Reaction index: Chemkin #816; RMG #816 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); H(82), [H][H](83); -! From training reaction 952 used for C/H/Cs3;H_rad -! Exact match found for rate rule [C/H/Cs3;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(69) 4.760000e-01 4.340 2.000 - -! Reaction index: Chemkin #817; RMG #817 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(66) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #818; RMG #818 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(68) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #819; RMG #819 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); H(82), [H][H](83); -! From training reaction 952 used for C/H/Cs3;H_rad -! Exact match found for rate rule [C/H/Cs3;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(72) 4.760000e-01 4.340 2.000 - -! Reaction index: Chemkin #820; RMG #820 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(73); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(73) 5.670000e+06 2.210 7.500 - -! Reaction index: Chemkin #821; RMG #821 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(71); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(71) 5.670000e+06 2.210 7.500 - -! Reaction index: Chemkin #822; RMG #822 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(67) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #823; RMG #823 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(70); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+RC10L(1)<=>[H][H](83)+C9H17LR(70) 5.670000e+06 2.210 7.500 - -! Reaction index: Chemkin #824; RMG #824 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+RC10(2)<=>[H][H](83)+C10H20R(64) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #825; RMG #825 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+LC10(3)<=>[H][H](83)+C10H20L(76) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #826; RMG #826 -! Template reaction: H_Abstraction -! Flux pairs: C3H4R(78), C3H5R(12); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C3H4R(78)<=>H(82)+C3H5R(12) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #827; RMG #827 -! Template reaction: H_Abstraction -! Flux pairs: CR(22), [CH2]R(14); H(82), [H][H](83); -! Estimated using average of templates [C/H3/Cs\OneNonDe;H_rad] + [C/H3/Cs\H2\Cs;Y_rad] for rate rule [C/H3/Cs\H2\Cs;H_rad] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+CR(22)<=>[H][H](83)+[CH2]R(14) 8.319120e+03 2.718 6.496 - -! Reaction index: Chemkin #828; RMG #828 -! Template reaction: H_Abstraction -! Flux pairs: CCL(26), C[CH]L(8); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+CCL(26)<=>[H][H](83)+C[CH]L(8) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #829; RMG #829 -! Template reaction: H_Abstraction -! Flux pairs: CCCR(27), C[CH]CR(10); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+CCCR(27)<=>[H][H](83)+C[CH]CR(10) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #830; RMG #830 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C5H9L(57)<=>[H][H](83)+C5H8L(77) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #831; RMG #831 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(58), C3H4R(78); H(82), [H][H](83); -! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C3H5R(58)<=>[H][H](83)+C3H4R(78) 3.360000e+03 3.140 4.290 - -! Reaction index: Chemkin #832; RMG #832 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(60); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C4H6R(79)<=>H(82)+C4H7R(60) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #833; RMG #833 -! Template reaction: H_Abstraction -! Flux pairs: C(75), CH3(74); H(82), [H][H](83); -! Matched reaction 186 CH4b + H <=> CH3_p1 + H2_p in H_Abstraction/training -! This reaction matched rate rule [C_methane;H_rad] -! family: H_Abstraction -H(82)+C(75)<=>[H][H](83)+CH3(74) 4.100000e+03 3.156 8.755 - -! Reaction index: Chemkin #834; RMG #834 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+C4H7R(81)<=>[H][H](83)+C4H6R(79) 6.100680e+03 3.153 4.317 - -! Reaction index: Chemkin #835; RMG #835 -! Template reaction: R_Recombination -! Flux pairs: H(82), [H][H](83); H(82), [H][H](83); -! Matched reaction 56 H + H <=> H2 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_2CHNO->H] -! family: R_Recombination -H(82)+H(82)<=>[H][H](83) 5.450000e+10 0.000 1.500 - -! Reaction index: Chemkin #836; RMG #836 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+CC(C)CR(20)<=>[H][H](83)+[CH2]C(C)CR(6) 1.134000e+07 2.210 7.500 - -! Reaction index: Chemkin #837; RMG #837 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+CCCC(C)CR(32)<=>[H][H](83)+C[CH]CC(C)CR(5) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #838; RMG #838 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)L(13), [CH2]C(C)L(4); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+CC(C)L(13)<=>[H][H](83)+[CH2]C(C)L(4) 1.134000e+07 2.210 7.500 - -! Reaction index: Chemkin #839; RMG #839 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+CC(C)CC(C)CR(23)<=>[H][H](83)+C7H14R(9) 1.134000e+07 2.210 7.500 - -! Reaction index: Chemkin #840; RMG #840 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+CCCC(C)L(16)<=>[H][H](83)+C[CH]CC(C)L(7) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #841; RMG #841 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+CC(C)CC(C)L(25)<=>[H][H](83)+C6H12L(11) 1.134000e+07 2.210 7.500 - -! Reaction index: Chemkin #842; RMG #842 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(12); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C[CH]CR(10)<=>[H][H](83)+C3H5R(12) 1.225850e+27 -4.376 3.356 - -! Reaction index: Chemkin #843; RMG #843 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H2/NonDeC;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+C8H17L(49)<=>[H][H](83)+C8H16L(15) 6.382500e+01 3.680 4.700 - -! Reaction index: Chemkin #844; RMG #844 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C[CH]CC(C)CR(5)<=>[H][H](83)+C6H11R(17) 1.225850e+27 -4.376 3.239 - -! Reaction index: Chemkin #845; RMG #845 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C2H3L(19); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C[CH]L(8)<=>[H][H](83)+C2H3L(19) 1.225850e+27 -4.376 3.356 - -! Reaction index: Chemkin #846; RMG #846 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C8H16L(15)<=>[H][H](83)+C8H15L(21) 1.225850e+27 -4.376 3.239 - -! Reaction index: Chemkin #847; RMG #847 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C[CH]CC(C)L(7)<=>[H][H](83)+C5H9L(24) 1.225850e+27 -4.376 3.239 - -! Reaction index: Chemkin #848; RMG #848 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C[CH]CC(C)CR(5)<=>[H][H](83)+C6H11R(56) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #849; RMG #849 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C[CH]CC(C)L(7)<=>[H][H](83)+C5H9L(57) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #850; RMG #850 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C[CH]CR(10)<=>[H][H](83)+C3H5R(58) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #851; RMG #851 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(59); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -H(82)+[CH2]C(C)L(4)<=>[H][H](83)+C3H5L(59) 4.559710e+12 -0.222 0.000 -DUPLICATE - -! Reaction index: Chemkin #852; RMG #852 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(59); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -H(82)+[CH2]C(C)L(4)<=>[H][H](83)+C3H5L(59) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #853; RMG #853 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -H(82)+[CH2]C(C)CR(6)<=>[H][H](83)+C4H7R(60) 4.559710e+12 -0.222 0.000 -DUPLICATE - -! Reaction index: Chemkin #854; RMG #854 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -H(82)+[CH2]C(C)CR(6)<=>[H][H](83)+C4H7R(60) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #855; RMG #855 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C8H16L(15)<=>[H][H](83)+C8H15L(61) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #856; RMG #856 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -H(82)+C7H14R(9)<=>[H][H](83)+C7H13R(62) 4.559710e+12 -0.222 0.000 -DUPLICATE - -! Reaction index: Chemkin #857; RMG #857 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -H(82)+C7H14R(9)<=>[H][H](83)+C7H13R(62) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #858; RMG #858 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -H(82)+C6H12L(11)<=>[H][H](83)+C6H11L(63) 4.559710e+12 -0.222 0.000 -DUPLICATE - -! Reaction index: Chemkin #859; RMG #859 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -H(82)+C6H12L(11)<=>[H][H](83)+C6H11L(63) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #860; RMG #860 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C5H8L(77), C5H9L(84); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+RC10L(1)<=>C5H9L(84)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #861; RMG #861 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C5H8L(77), C5H9L(84); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+RC10L(1)<=>C5H9L(84)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #862; RMG #862 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C9H17LR(66)<=>C5H8L(77)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #863; RMG #863 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C9H17LR(68)<=>C5H8L(77)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #864; RMG #864 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C5H8L(77), C5H9L(84); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+RC10L(1)<=>C5H9L(84)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #865; RMG #865 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C9H17LR(73)<=>C5H8L(77)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #866; RMG #866 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C9H17LR(71)<=>C5H8L(77)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #867; RMG #867 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C9H17LR(67)<=>C5H8L(77)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #868; RMG #868 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C9H17LR(70)<=>C5H8L(77)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #869; RMG #869 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C10H20R(64)<=>C5H8L(77)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #870; RMG #870 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C10H20L(76)<=>C5H8L(77)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #871; RMG #871 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C5H8L(77)<=>C3H5R(58)+C5H9L(84) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #872; RMG #872 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C5H8L(77)<=>C3H5R(12)+C5H9L(84) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #873; RMG #873 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C5H8L(77)<=>C2H3L(19)+C5H9L(84) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #874; RMG #874 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C5H8L(77)<=>C3H4R(78)+C5H9L(84) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #875; RMG #875 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H9L(84)<=>CC(C)L(13)+C5H8L(77) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #876; RMG #876 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C[CH]CC(C)L(7)<=>C5H8L(77)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #877; RMG #877 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H9L(84)<=>CC(C)CR(20)+C5H8L(77) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #878; RMG #878 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C5H9L(84)<=>CR(22)+C5H8L(77) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #879; RMG #879 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C7H14R(9)<=>C5H8L(77)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #880; RMG #880 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C6H12L(11)<=>C5H8L(77)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #881; RMG #881 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C5H9L(84)<=>CCL(26)+C5H8L(77) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #882; RMG #882 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C5H9L(84)<=>CCCR(27)+C5H8L(77) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #883; RMG #883 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C[CH]CC(C)CR(5)<=>C5H8L(77)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #884; RMG #884 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C8H16L(15)<=>C5H8L(77)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #885; RMG #885 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H9L(84); C5H8L(77), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C5H9L(57)<=>C5H8L(77)+C5H9L(84) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #886; RMG #886 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C5H9L(84)<=>C3H5R(58)+C5H8L(77) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #887; RMG #887 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C5H8L(77)<=>C4H6R(79)+C5H9L(84) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #888; RMG #888 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C5H8L(77)<=>CH3(74)+C5H9L(84) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #889; RMG #889 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C5H9L(84)<=>C4H7R(81)+C5H8L(77) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #890; RMG #890 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C5H8L(77)<=>H(82)+C5H9L(84) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #891; RMG #891 -! Library reaction: restart -! Flux pairs: H(82), C5H9L(84); C5H8L(77), C5H9L(84); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R -H(82)+C5H8L(77)<=>C5H9L(84) 1.803320e+13 0.128 0.000 - -! Reaction index: Chemkin #892; RMG #892 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(84)+C6H11R(17) 1.225850e+27 -4.376 6.853 - -! Reaction index: Chemkin #893; RMG #893 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C8H16L(15)<=>C5H9L(84)+C8H15L(21) 1.225850e+27 -4.376 6.853 - -! Reaction index: Chemkin #894; RMG #894 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(84); C5H8L(77), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(84) 1.225850e+27 -4.376 6.853 - -! Reaction index: Chemkin #895; RMG #895 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H9L(84)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #896; RMG #896 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(84); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C[CH]CC(C)L(7)<=>C5H9L(57)+C5H9L(84) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #897; RMG #897 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C5H8L(77)<=>C3H5L(59)+C5H9L(84) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #898; RMG #898 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C5H8L(77)<=>C4H7R(60)+C5H9L(84) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #899; RMG #899 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C8H16L(15)<=>C5H9L(84)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #900; RMG #900 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(77)+C7H14R(9)<=>C5H9L(84)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #901; RMG #901 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(77)+C6H12L(11)<=>C5H9L(84)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #902; RMG #902 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), RC10(2); C7H15(85), RC10(2); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+C7H15(85)<=>RC10(2) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #903; RMG #903 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(58), C10H20R(64); C7H15(85), C10H20R(64); -! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5R(58)+C7H15(85)<=>C10H20R(64) 1.020000e+03 2.410 6.230 - -! Reaction index: Chemkin #904; RMG #904 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(86), C10H20L(76); C7H15(85), C10H20L(76); -! From training reaction 436 used for Cds-CsH_Cds-CsH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CsH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5L(86)+C7H15(85)<=>C10H20L(76) 1.020000e+03 2.410 6.230 - -! Reaction index: Chemkin #905; RMG #905 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #906; RMG #906 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #907; RMG #907 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #908; RMG #908 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #909; RMG #909 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #910; RMG #910 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CC(C)CC(C)C(87), C7H15(85); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -CC(C)CC(C)C(87)+C9H17LR(73)<=>C7H15(85)+RC10L(1) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #911; RMG #911 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CC(C)CC(C)C(87), C7H15(85); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -CC(C)CC(C)C(87)+C9H17LR(71)<=>C7H15(85)+RC10L(1) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #912; RMG #912 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H15(85)+RC10L(1)<=>CC(C)CC(C)C(87)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #913; RMG #913 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CC(C)CC(C)C(87), C7H15(85); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -CC(C)CC(C)C(87)+C9H17LR(70)<=>C7H15(85)+RC10L(1) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #914; RMG #914 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H15(85)+RC10(2)<=>CC(C)CC(C)C(87)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #915; RMG #915 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H15(85)+LC10(3)<=>CC(C)CC(C)C(87)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #916; RMG #916 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C7H15(85)<=>C3H4R(78)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #917; RMG #917 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CC(C)CC(C)C(87)<=>CC(C)L(13)+C7H15(85) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #918; RMG #918 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)L(16)+C7H15(85)<=>C[CH]CC(C)L(7)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #919; RMG #919 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+CC(C)CC(C)C(87)<=>CC(C)CR(20)+C7H15(85) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #920; RMG #920 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -[CH2]R(14)+CC(C)CC(C)C(87)<=>CR(22)+C7H15(85) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #921; RMG #921 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C7H14R(9)+CC(C)CC(C)C(87)<=>CC(C)CC(C)CR(23)+C7H15(85) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #922; RMG #922 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C6H12L(11)+CC(C)CC(C)C(87)<=>CC(C)CC(C)L(25)+C7H15(85) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #923; RMG #923 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C7H15(85)<=>C[CH]L(8)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #924; RMG #924 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C7H15(85)<=>C[CH]CR(10)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #925; RMG #925 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCC(C)CR(32)+C7H15(85)<=>C[CH]CC(C)CR(5)+CC(C)CC(C)C(87) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #926; RMG #926 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C7H15(85)<=>C5H8L(77)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #927; RMG #927 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C7H15(85)<=>C3H4R(78)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #928; RMG #928 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C7H15(85)<=>C4H6R(79)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #929; RMG #929 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -CH3(74)+CC(C)CC(C)C(87)<=>C(75)+C7H15(85) 5.676000e+00 3.600 11.050 - -! Reaction index: Chemkin #930; RMG #930 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C7H15(85)<=>C4H6R(79)+CC(C)CC(C)C(87) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #931; RMG #931 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -H(82)+CC(C)CC(C)C(87)<=>[H][H](83)+C7H15(85) 2.268000e+07 2.210 7.500 - -! Reaction index: Chemkin #932; RMG #932 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C7H15(85)<=>C5H8L(77)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #933; RMG #933 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H15(85)+C8H17L(49)<=>CC(C)CC(C)C(87)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #934; RMG #934 -! Library reaction: restart -! Flux pairs: H(82), CC(C)CC(C)C(87); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+C7H15(85)<=>CC(C)CC(C)C(87) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #935; RMG #935 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C7H15(85)<=>C3H5R(12)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #936; RMG #936 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C7H15(85)<=>C6H11R(17)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #937; RMG #937 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C7H15(85)<=>C2H3L(19)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #938; RMG #938 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C8H16L(15)<=>CC(C)CC(C)C(87)+C8H15L(21) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #939; RMG #939 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C7H15(85)<=>C5H9L(24)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 3.707 - -! Reaction index: Chemkin #940; RMG #940 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C7H15(85)<=>C6H11R(56)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #941; RMG #941 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C7H15(85)<=>C5H9L(57)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #942; RMG #942 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C7H15(85)<=>C3H5R(58)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #943; RMG #943 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C7H15(85)<=>C3H5L(59)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #944; RMG #944 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C7H15(85)<=>C4H7R(60)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #945; RMG #945 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C8H16L(15)<=>CC(C)CC(C)C(87)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #946; RMG #946 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C7H14R(9)+C7H15(85)<=>C7H13R(62)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #947; RMG #947 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C7H15(85)<=>C6H11L(63)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #948; RMG #948 -! Library reaction: restart -! Flux pairs: C3H4R(78), RC1[CH]C1(88); -! Estimated from node Backbone0 -C3H4R(78)<=>RC1[CH]C1(88) 1.014560e+05 2.304 35.490 - -! Reaction index: Chemkin #949; RMG #949 -! Library reaction: restart -! Flux pairs: H(82), C5H9L(24); C5H8L(89), C5H9L(24); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C5H8L(89)<=>C5H9L(24) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #950; RMG #950 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C5H8L(89)<=>C3H5R(12)+C5H9L(24) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #951; RMG #951 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C5H8L(89)<=>C2H3L(19)+C5H9L(24) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #952; RMG #952 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H9L(24)<=>CC(C)CR(20)+C5H8L(89) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #953; RMG #953 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C5H9L(24)<=>CCCR(27)+C5H8L(89) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #954; RMG #954 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C[CH]CC(C)CR(5)<=>C5H8L(89)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #955; RMG #955 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H9L(24)<=>CC(C)L(13)+C5H8L(89) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #956; RMG #956 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C7H14R(9)<=>C5H8L(89)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #957; RMG #957 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C[CH]CC(C)L(7)<=>C5H8L(89)+CCCC(C)L(16) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #958; RMG #958 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C5H9L(24)<=>CCL(26)+C5H8L(89) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #959; RMG #959 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C6H12L(11)<=>C5H8L(89)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #960; RMG #960 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C5H9L(24)<=>CR(22)+C5H8L(89) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #961; RMG #961 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(24)+C6H11R(17) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #962; RMG #962 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C8H16L(15)<=>C5H9L(24)+C8H15L(21) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #963; RMG #963 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(24) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #964; RMG #964 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C8H16L(15)<=>C5H8L(89)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #965; RMG #965 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(24)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #966; RMG #966 -! Library reaction: restart -! Flux pairs: H(82), C5H9L(57); C5H8L(89), C5H9L(57); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C5H8L(89)<=>C5H9L(57) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #967; RMG #967 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); C[CH]CR(10), CCCR(27); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C5H9L(57)<=>CCCR(27)+C5H8L(89) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #968; RMG #968 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H9L(57)<=>CC(C)L(13)+C5H8L(89) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #969; RMG #969 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); C[CH]L(8), CCL(26); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C5H9L(57)<=>CCL(26)+C5H8L(89) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #970; RMG #970 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C5H8L(89)<=>C3H5R(12)+C5H9L(57) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #971; RMG #971 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C5H9L(57)<=>CR(22)+C5H8L(89) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #972; RMG #972 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(17) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #973; RMG #973 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C5H8L(89)<=>C2H3L(19)+C5H9L(57) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #974; RMG #974 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C8H16L(15)<=>C5H9L(57)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #975; RMG #975 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(57) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #976; RMG #976 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(24)+C5H9L(57) 1.225850e+27 -4.376 6.090 -DUPLICATE - -! Reaction index: Chemkin #977; RMG #977 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C5H8L(89)<=>C3H5R(58)+C5H9L(24) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #978; RMG #978 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #979; RMG #979 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C[CH]CC(C)L(7)<=>C5H9L(57)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #980; RMG #980 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C5H8L(89)<=>C3H5R(58)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #981; RMG #981 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C5H8L(89)<=>C3H5L(59)+C5H9L(24) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #982; RMG #982 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C5H8L(89)<=>C3H5L(59)+C5H9L(57) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #983; RMG #983 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C5H8L(89)<=>C4H7R(60)+C5H9L(24) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #984; RMG #984 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C5H8L(89)<=>C4H7R(60)+C5H9L(57) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #985; RMG #985 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C7H14R(9)<=>C5H9L(24)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #986; RMG #986 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H12L(11)<=>C5H9L(24)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #987; RMG #987 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C10H20R(64)<=>C5H8L(89)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #988; RMG #988 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H9L(57)<=>CC(C)CR(20)+C5H8L(89) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #989; RMG #989 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C[CH]CC(C)L(7)<=>C5H8L(89)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #990; RMG #990 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C8H16L(15)<=>C5H9L(24)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #991; RMG #991 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C5H8L(89), C5H9L(24); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+RC10L(1)<=>C5H9L(24)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #992; RMG #992 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C8H16L(15)<=>C5H9L(57)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #993; RMG #993 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C7H14R(9)<=>C5H9L(57)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #994; RMG #994 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H12L(11)<=>C5H9L(57)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #995; RMG #995 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C10H20R(64)<=>C5H8L(89)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #996; RMG #996 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C5H8L(89), C5H9L(57); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+RC10L(1)<=>C5H9L(57)+C9H17LR(65) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #997; RMG #997 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C[CH]CC(C)CR(5)<=>C5H8L(89)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #998; RMG #998 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C7H14R(9)<=>C5H8L(89)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #999; RMG #999 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C6H12L(11)<=>C5H8L(89)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1000; RMG #1000 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(66)<=>C5H8L(89)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1001; RMG #1001 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(67)<=>C5H8L(89)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1002; RMG #1002 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(68)<=>C5H8L(89)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1003; RMG #1003 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C8H16L(15)<=>C5H8L(89)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1004; RMG #1004 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C5H8L(89), C5H9L(57); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+RC10L(1)<=>C5H9L(57)+C9H17LR(69) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #1005; RMG #1005 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(70)<=>C5H8L(89)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1006; RMG #1006 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(71)<=>C5H8L(89)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1007; RMG #1007 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C5H8L(89), C5H9L(57); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+RC10L(1)<=>C5H9L(57)+C9H17LR(72) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #1008; RMG #1008 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C9H17LR(66)<=>C5H8L(89)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1009; RMG #1009 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C9H17LR(67)<=>C5H8L(89)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1010; RMG #1010 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C9H17LR(68)<=>C5H8L(89)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1011; RMG #1011 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C5H8L(89), C5H9L(24); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+RC10L(1)<=>C5H9L(24)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1012; RMG #1012 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C9H17LR(70)<=>C5H8L(89)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1013; RMG #1013 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C9H17LR(71)<=>C5H8L(89)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1014; RMG #1014 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C5H8L(89), C5H9L(24); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+RC10L(1)<=>C5H9L(24)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1015; RMG #1015 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C9H17LR(73)<=>C5H8L(89)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1016; RMG #1016 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C9H17LR(73)<=>C5H8L(89)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1017; RMG #1017 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C5H8L(89)<=>CH3(74)+C5H9L(24) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #1018; RMG #1018 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); CH3(74), C(75); -! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C5H9L(57)<=>C(75)+C5H8L(89) 7.200000e-02 4.250 7.530 - -! Reaction index: Chemkin #1019; RMG #1019 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C10H20L(76)<=>C5H8L(89)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1020; RMG #1020 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C10H20L(76)<=>C5H8L(89)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1021; RMG #1021 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H9L(24); C5H8L(89), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C5H9L(57)<=>C5H8L(77)+C5H9L(24) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1022; RMG #1022 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H9L(84); C5H8L(77), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C5H9L(24)<=>C5H8L(89)+C5H9L(84) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1023; RMG #1023 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H9L(57); C5H8L(89), C5H8L(77); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C5H9L(57)<=>C5H8L(77)+C5H9L(57) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1024; RMG #1024 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H9L(57); C5H8L(89), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C5H9L(84)<=>C5H8L(77)+C5H9L(57) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1025; RMG #1025 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C5H9L(24)<=>C3H5R(12)+C5H8L(89) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1026; RMG #1026 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C5H9L(24)<=>C3H5R(58)+C5H8L(89) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1027; RMG #1027 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C5H8L(89)<=>C3H4R(78)+C5H9L(57) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1028; RMG #1028 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C5H8L(89)<=>C3H4R(78)+C5H9L(57) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1029; RMG #1029 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C5H9L(24)<=>C4H7R(60)+C5H8L(89) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1030; RMG #1030 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C5H9L(24)<=>C4H7R(81)+C5H8L(89) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1031; RMG #1031 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C5H8L(89)<=>C4H6R(79)+C5H9L(57) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1032; RMG #1032 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C5H8L(89)<=>C4H6R(79)+C5H9L(57) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1033; RMG #1033 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C5H8L(89)<=>H(82)+C5H9L(24) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #1034; RMG #1034 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); H(82), [H][H](83); -! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C5H9L(57)<=>[H][H](83)+C5H8L(89) 3.360000e+03 3.140 4.290 - -! Reaction index: Chemkin #1035; RMG #1035 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C7H15(85)<=>C5H8L(89)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1036; RMG #1036 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C7H15(85)<=>C5H8L(89)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1037; RMG #1037 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H9L(57); C5H8L(89), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C5H9L(24)<=>C5H8L(89)+C5H9L(57) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1038; RMG #1038 -! Library reaction: restart -! Flux pairs: H(82), C6H11R(56); C6H10R(90), C6H11R(56); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -H(82)+C6H10R(90)<=>C6H11R(56) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #1039; RMG #1039 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11R(56)<=>CC(C)CR(20)+C6H10R(90) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1040; RMG #1040 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C6H11R(56)<=>CCCR(27)+C6H10R(90) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1041; RMG #1041 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C[CH]CC(C)CR(5)<=>C6H10R(90)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1042; RMG #1042 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11R(56)<=>CC(C)L(13)+C6H10R(90) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1043; RMG #1043 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11R(56)<=>CCCC(C)L(16)+C6H10R(90) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1044; RMG #1044 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C6H11R(56)<=>CCL(26)+C6H10R(90) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1045; RMG #1045 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C6H12L(11)<=>C6H10R(90)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1046; RMG #1046 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10R(90)<=>C3H5R(12)+C6H11R(56) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #1047; RMG #1047 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C6H11R(56)<=>CR(22)+C6H10R(90) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1048; RMG #1048 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(90), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(56) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #1049; RMG #1049 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10R(90)<=>C2H3L(19)+C6H11R(56) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #1050; RMG #1050 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C8H16L(15)<=>C6H11R(56)+C8H15L(21) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #1051; RMG #1051 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(24)+C6H11R(56) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #1052; RMG #1052 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(56)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1053; RMG #1053 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1054; RMG #1054 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10R(90)<=>C3H5R(58)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1055; RMG #1055 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H10R(90)<=>C3H5L(59)+C6H11R(56) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1056; RMG #1056 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H10R(90)<=>C4H7R(60)+C6H11R(56) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1057; RMG #1057 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C8H16L(15)<=>C6H11R(56)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1058; RMG #1058 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(90)+C7H14R(9)<=>C6H11R(56)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1059; RMG #1059 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11R(56); C6H10R(90), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(90)+C6H12L(11)<=>C6H11L(63)+C6H11R(56) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1060; RMG #1060 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C7H14R(9)<=>C6H10R(90)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1061; RMG #1061 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C8H16L(15)<=>C6H10R(90)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1062; RMG #1062 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C10H20R(64)<=>C6H10R(90)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1063; RMG #1063 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H11R(56), C6H10R(90); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(65)<=>C6H10R(90)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #1064; RMG #1064 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(66)<=>C6H10R(90)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1065; RMG #1065 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(67)<=>C6H10R(90)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1066; RMG #1066 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(68)<=>C6H10R(90)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1067; RMG #1067 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H11R(56), C6H10R(90); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(69)<=>C6H10R(90)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #1068; RMG #1068 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(70)<=>C6H10R(90)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1069; RMG #1069 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(71)<=>C6H10R(90)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1070; RMG #1070 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H11R(56), C6H10R(90); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(72)<=>C6H10R(90)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #1071; RMG #1071 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(73)<=>C6H10R(90)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1072; RMG #1072 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C6H11R(56)<=>C(75)+C6H10R(90) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #1073; RMG #1073 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C10H20L(76)<=>C6H10R(90)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1074; RMG #1074 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(56); C5H9L(57), C5H8L(77); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10R(90)<=>C5H8L(77)+C6H11R(56) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #1075; RMG #1075 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H8L(77), C5H9L(84); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C6H11R(56)<=>C5H9L(84)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1076; RMG #1076 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C6H11R(56)<=>C3H5R(12)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1077; RMG #1077 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C6H11R(56)<=>C3H5R(58)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1078; RMG #1078 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C6H11R(56)<=>C4H7R(60)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1079; RMG #1079 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C6H11R(56)<=>C4H7R(81)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1080; RMG #1080 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C6H11R(56)<=>[H][H](83)+C6H10R(90) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #1081; RMG #1081 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C7H15(85)<=>C6H10R(90)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1082; RMG #1082 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H8L(89), C5H9L(24); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C6H11R(56)<=>C5H9L(24)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1083; RMG #1083 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H8L(89), C5H9L(57); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C6H11R(56)<=>C5H9L(57)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1084; RMG #1084 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C5H8L(89); C4H5L(91), C5H8L(89); -! From training reaction 471 used for Cds-CsH_Cds-CdH;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C4H5L(91)<=>C5H8L(89) 1.130000e+04 2.410 4.000 - -! Reaction index: Chemkin #1085; RMG #1085 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C6H9L2(92); C4H5L(91), C6H9L2(92); -! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C4H5L(91)<=>C6H9L2(92) 1.920000e+03 2.410 0.760 - -! Reaction index: Chemkin #1086; RMG #1086 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C[CH]CC(93); C3H6(18), C[CH]CC(93); -! Matched reaction 237 CH3 + propene_1 <=> C4H9-3 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-HHH] -! family: R_Addition_MultipleBond -CH3(74)+C3H6(18)<=>C[CH]CC(93) 2.100000e+04 2.410 5.320 - -! Reaction index: Chemkin #1087; RMG #1087 -! Library reaction: restart -! Flux pairs: C[CH]C(94), RC10(2); C7H14R(9), RC10(2); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -C[CH]C(94)+C7H14R(9)<=>RC10(2) 2.124550e+14 -0.429 0.000 - -! Reaction index: Chemkin #1088; RMG #1088 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(65)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.536 - -! Reaction index: Chemkin #1089; RMG #1089 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(69)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.536 - -! Reaction index: Chemkin #1090; RMG #1090 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(66)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1091; RMG #1091 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(68)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1092; RMG #1092 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(72)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.536 - -! Reaction index: Chemkin #1093; RMG #1093 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(73)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1094; RMG #1094 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(71)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1095; RMG #1095 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(67)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1096; RMG #1096 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C9H17LR(70)<=>C3H6(18)+RC10L(1) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1097; RMG #1097 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C10H20R(64)<=>C3H6(18)+RC10(2) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1098; RMG #1098 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C10H20L(76)<=>C3H6(18)+LC10(3) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1099; RMG #1099 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4R(78)+C[CH]C(94)<=>C3H5R(12)+C3H6(18) 2.451710e+27 -4.376 6.820 - -! Reaction index: Chemkin #1100; RMG #1100 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CC(C)L(13); [CH2]C(C)L(4), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)L(4)+C[CH]C(94)<=>C3H6(18)+CC(C)L(13) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1101; RMG #1101 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C[CH]CC(C)L(7)<=>C3H6(18)+CCCC(C)L(16) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1102; RMG #1102 -! Library reaction: restart -! Flux pairs: [CH2]R(14), CC(C)CR(20); C[CH]C(94), CC(C)CR(20); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -[CH2]R(14)+C[CH]C(94)<=>CC(C)CR(20) 2.124550e+14 -0.429 0.000 - -! Reaction index: Chemkin #1103; RMG #1103 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+[CH2]C(C)CR(6)<=>C3H6(18)+CC(C)CR(20) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1104; RMG #1104 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]R(14)+C[CH]C(94)<=>CR(22)+C3H6(18) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1105; RMG #1105 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CC(C)CC(C)CR(23); [CH2]C(C)CR(6), CC(C)CC(C)CR(23); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -C[CH]C(94)+[CH2]C(C)CR(6)<=>CC(C)CC(C)CR(23) 2.124550e+14 -0.429 0.000 - -! Reaction index: Chemkin #1106; RMG #1106 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C7H14R(9)<=>C3H6(18)+CC(C)CC(C)CR(23) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1107; RMG #1107 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C5H8L(89)<=>C3H6(18)+C5H9L(24) 2.451710e+27 -4.376 6.946 - -! Reaction index: Chemkin #1108; RMG #1108 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), CC(C)CC(C)L(25); C[CH]C(94), CC(C)CC(C)L(25); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -[CH2]C(C)L(4)+C[CH]C(94)<=>CC(C)CC(C)L(25) 2.124550e+14 -0.429 0.000 - -! Reaction index: Chemkin #1109; RMG #1109 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H12L(11)<=>C3H6(18)+CC(C)CC(C)L(25) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1110; RMG #1110 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C[CH]C(94)<=>CCL(26)+C3H6(18) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1111; RMG #1111 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CCCR(27); C[CH]CR(10), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C[CH]C(94)<=>C3H6(18)+CCCR(27) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1112; RMG #1112 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C[CH]CC(C)CR(5)<=>C3H6(18)+CCCC(C)CR(32) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1113; RMG #1113 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C8H16L(15)<=>C3H6(18)+C8H17L(49) 2.451710e+27 -4.376 4.198 - -! Reaction index: Chemkin #1114; RMG #1114 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10R(90)<=>C3H6(18)+C6H11R(56) 2.451710e+27 -4.376 7.254 - -! Reaction index: Chemkin #1115; RMG #1115 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C5H8L(77)<=>C3H6(18)+C5H9L(57) 2.451710e+27 -4.376 7.254 - -! Reaction index: Chemkin #1116; RMG #1116 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C5H8L(89)<=>C3H6(18)+C5H9L(57) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #1117; RMG #1117 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4R(78)+C[CH]C(94)<=>C3H5R(58)+C3H6(18) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #1118; RMG #1118 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(60); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C4H6R(79)<=>C3H6(18)+C4H7R(60) 2.451710e+27 -4.376 6.820 - -! Reaction index: Chemkin #1119; RMG #1119 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -CH3(74)+C[CH]C(94)<=>C(75)+C3H6(18) 2.451710e+27 -4.376 3.164 - -! Reaction index: Chemkin #1120; RMG #1120 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(81); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C4H6R(79)<=>C3H6(18)+C4H7R(81) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #1121; RMG #1121 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C[CH]C(94); C3H6(18), C[CH]C(94); -! Matched reaction 2814 H + propene_1 <=> C3H7-3 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-HH_Cds-Cs\H3/H;HJ] -! family: R_Addition_MultipleBond -H(82)+C3H6(18)<=>C[CH]C(94) 1.840000e+09 1.553 1.570 - -! Reaction index: Chemkin #1122; RMG #1122 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -H(82)+C[CH]C(94)<=>[H][H](83)+C3H6(18) 2.451710e+27 -4.376 3.290 - -! Reaction index: Chemkin #1123; RMG #1123 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C5H8L(77)<=>C3H6(18)+C5H9L(84) 2.451710e+27 -4.376 6.935 - -! Reaction index: Chemkin #1124; RMG #1124 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C7H15(85)<=>C3H6(18)+CC(C)CC(C)C(87) 2.451710e+27 -4.376 3.763 - -! Reaction index: Chemkin #1125; RMG #1125 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C[CH]C(94), CCC(95); -! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(65) 8.110000e-04 4.340 5.300 - -! Reaction index: Chemkin #1126; RMG #1126 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C[CH]C(94), CCC(95); -! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(69) 8.110000e-04 4.340 5.300 - -! Reaction index: Chemkin #1127; RMG #1127 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(66) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1128; RMG #1128 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(68) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1129; RMG #1129 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C[CH]C(94), CCC(95); -! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(72) 8.110000e-04 4.340 5.300 - -! Reaction index: Chemkin #1130; RMG #1130 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C9H17LR(73)<=>C[CH]C(94)+RC10L(1) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1131; RMG #1131 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C9H17LR(71)<=>C[CH]C(94)+RC10L(1) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1132; RMG #1132 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+RC10L(1)<=>CCC(95)+C9H17LR(67) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1133; RMG #1133 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C9H17LR(70)<=>C[CH]C(94)+RC10L(1) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1134; RMG #1134 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+RC10(2)<=>CCC(95)+C10H20R(64) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1135; RMG #1135 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+LC10(3)<=>CCC(95)+C10H20L(76) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1136; RMG #1136 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), C[CH]C(94); C3H4R(78), C3H5R(12); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+CCC(95)<=>C3H5R(12)+C[CH]C(94) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1137; RMG #1137 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), C[CH]C(94); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CCC(95)<=>CC(C)L(13)+C[CH]C(94) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1138; RMG #1138 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+CCCC(C)L(16)<=>CCC(95)+C[CH]CC(C)L(7) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1139; RMG #1139 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+[CH2]C(C)CR(6)<=>C[CH]C(94)+CC(C)CR(20) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1140; RMG #1140 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), C[CH]C(94); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+CCC(95)<=>CR(22)+C[CH]C(94) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1141; RMG #1141 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C7H14R(9)<=>C[CH]C(94)+CC(C)CC(C)CR(23) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1142; RMG #1142 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C5H8L(89)<=>C[CH]C(94)+C5H9L(24) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1143; RMG #1143 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H12L(11)<=>C[CH]C(94)+CC(C)CC(C)L(25) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1144; RMG #1144 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]C(94), CCC(95); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+C[CH]C(94)<=>C[CH]L(8)+CCC(95) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1145; RMG #1145 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]C(94), CCC(95); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+C[CH]C(94)<=>C[CH]CR(10)+CCC(95) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1146; RMG #1146 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+CCCC(C)CR(32)<=>CCC(95)+C[CH]CC(C)CR(5) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1147; RMG #1147 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+C8H17L(49)<=>CCC(95)+C8H16L(15) 2.573750e-03 4.290 7.713 - -! Reaction index: Chemkin #1148; RMG #1148 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C6H11R(56)<=>CCC(95)+C6H10R(90) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1149; RMG #1149 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C5H9L(57)<=>CCC(95)+C5H8L(77) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1150; RMG #1150 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); CCC(95), C[CH]C(94); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C5H8L(89)<=>C[CH]C(94)+C5H9L(57) 2.920000e-02 4.340 16.600 - -! Reaction index: Chemkin #1151; RMG #1151 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), C[CH]C(94); C3H4R(78), C3H5R(58); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+CCC(95)<=>C3H5R(58)+C[CH]C(94) 2.920000e-02 4.340 16.600 - -! Reaction index: Chemkin #1152; RMG #1152 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(60); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C4H6R(79)<=>C[CH]C(94)+C4H7R(60) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1153; RMG #1153 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]C(94), CCC(95); C(75), CH3(74); -! Matched reaction 315 C3H7 + CH4b <=> C3H8 + CH3_p1 in H_Abstraction/training -! This reaction matched rate rule [C_methane;C_rad/H/Cs\H3/Cs\H3] -! family: H_Abstraction -C(75)+C[CH]C(94)<=>CH3(74)+CCC(95) 7.240000e-04 4.400 10.790 - -! Reaction index: Chemkin #1154; RMG #1154 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]C(94)+C4H7R(81)<=>CCC(95)+C4H6R(79) 2.016000e-03 4.340 4.700 - -! Reaction index: Chemkin #1155; RMG #1155 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]C(94), CCC(95); [H][H](83), H(82); -! Matched reaction 787 H2 + C3H7 <=> C3H8 + H in H_Abstraction/training -! This reaction matched rate rule [H2;C_rad/H/Cs\H3/Cs\H3] -! family: H_Abstraction -[H][H](83)+C[CH]C(94)<=>H(82)+CCC(95) 5.420000e-03 4.340 9.900 - -! Reaction index: Chemkin #1156; RMG #1156 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C5H8L(77)<=>C[CH]C(94)+C5H9L(84) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1157; RMG #1157 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C7H15(85)<=>C[CH]C(94)+CC(C)CC(C)C(87) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #1158; RMG #1158 -! Template reaction: R_Recombination -! Flux pairs: H(82), CCC(95); C[CH]C(94), CCC(95); -! Matched reaction 59 H + C3H7-2 <=> C3H8-2 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R] -! family: R_Recombination -H(82)+C[CH]C(94)<=>CCC(95) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #1159; RMG #1159 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CCC(95); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C[CH]C(94)<=>C3H5R(12)+CCC(95) 1.225850e+27 -4.376 4.256 - -! Reaction index: Chemkin #1160; RMG #1160 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(17) 1.225850e+27 -4.376 4.120 - -! Reaction index: Chemkin #1161; RMG #1161 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CCC(95); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C[CH]C(94)<=>C3H6(18)+CCC(95) 2.451710e+27 -4.376 4.180 - -! Reaction index: Chemkin #1162; RMG #1162 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CCC(95); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C[CH]C(94)<=>C2H3L(19)+CCC(95) 1.225850e+27 -4.376 4.256 - -! Reaction index: Chemkin #1163; RMG #1163 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C8H16L(15)<=>CCC(95)+C8H15L(21) 1.225850e+27 -4.376 4.120 - -! Reaction index: Chemkin #1164; RMG #1164 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(24) 1.225850e+27 -4.376 4.120 - -! Reaction index: Chemkin #1165; RMG #1165 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1166; RMG #1166 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1167; RMG #1167 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CCC(95); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C[CH]C(94)<=>C3H5R(58)+CCC(95) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1168; RMG #1168 -! Library reaction: restart -! Flux pairs: C[CH]C(94), CCC(95); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C[CH]C(94)<=>C3H5L(59)+CCC(95) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1169; RMG #1169 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]C(94)+[CH2]C(C)CR(6)<=>CCC(95)+C4H7R(60) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1170; RMG #1170 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C8H16L(15)<=>CCC(95)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1171; RMG #1171 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]C(94)+C7H14R(9)<=>CCC(95)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1172; RMG #1172 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]C(94)+C6H12L(11)<=>CCC(95)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1173; RMG #1173 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C5H8L(96); C4H5L(91), C5H8L(96); -! From training reaction 273 used for Cds-HH_Cds-CdH;CsJ-HHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C4H5L(91)<=>C5H8L(96) 2.360000e+04 2.410 2.520 - -! Reaction index: Chemkin #1174; RMG #1174 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]CR(10), C7H11LR(97); C4H5L(91), C7H11LR(97); -! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C4H5L(91)<=>C7H11LR(97) 1.920000e+03 2.410 0.760 - -! Reaction index: Chemkin #1175; RMG #1175 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H10R(90), C6H11R(98); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+RC10L(1)<=>C6H11R(98)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1176; RMG #1176 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H10R(90), C6H11R(98); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+RC10L(1)<=>C6H11R(98)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1177; RMG #1177 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C9H17LR(66)<=>C6H10R(90)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1178; RMG #1178 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C9H17LR(68)<=>C6H10R(90)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1179; RMG #1179 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H10R(90), C6H11R(98); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+RC10L(1)<=>C6H11R(98)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1180; RMG #1180 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C9H17LR(73)<=>C6H10R(90)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1181; RMG #1181 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C9H17LR(71)<=>C6H10R(90)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1182; RMG #1182 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C9H17LR(67)<=>C6H10R(90)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1183; RMG #1183 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C9H17LR(70)<=>C6H10R(90)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1184; RMG #1184 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C10H20R(64)<=>C6H10R(90)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1185; RMG #1185 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C10H20L(76)<=>C6H10R(90)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1186; RMG #1186 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C6H10R(90)<=>C3H4R(78)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1187; RMG #1187 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11R(98)<=>CC(C)L(13)+C6H10R(90) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1188; RMG #1188 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11R(98)<=>CCCC(C)L(16)+C6H10R(90) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1189; RMG #1189 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11R(98)<=>CC(C)CR(20)+C6H10R(90) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1190; RMG #1190 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H11R(98)<=>CR(22)+C6H10R(90) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1191; RMG #1191 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C7H14R(9)<=>C6H10R(90)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1192; RMG #1192 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C6H10R(90)<=>C5H8L(89)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1193; RMG #1193 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C6H12L(11)<=>C6H10R(90)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1194; RMG #1194 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H11R(98)<=>CCL(26)+C6H10R(90) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1195; RMG #1195 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H11R(98)<=>CCCR(27)+C6H10R(90) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1196; RMG #1196 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C[CH]CC(C)CR(5)<=>C6H10R(90)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1197; RMG #1197 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C8H16L(15)<=>C6H10R(90)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1198; RMG #1198 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H11R(98); C6H10R(90), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C6H11R(56)<=>C6H10R(90)+C6H11R(98) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1199; RMG #1199 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10R(90)<=>C5H8L(77)+C6H11R(98) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1200; RMG #1200 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H11R(98)<=>C5H9L(57)+C6H10R(90) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1201; RMG #1201 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H11R(98)<=>C3H5R(58)+C6H10R(90) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1202; RMG #1202 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C6H10R(90)<=>C4H6R(79)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1203; RMG #1203 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H10R(90)<=>CH3(74)+C6H11R(98) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #1204; RMG #1204 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H11R(98)<=>C4H7R(81)+C6H10R(90) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1205; RMG #1205 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C6H10R(90)<=>H(82)+C6H11R(98) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #1206; RMG #1206 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H11R(98)<=>C5H9L(84)+C6H10R(90) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1207; RMG #1207 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C7H15(85)<=>C6H10R(90)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1208; RMG #1208 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H10R(90)<=>C[CH]C(94)+C6H11R(98) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1209; RMG #1209 -! Library reaction: restart -! Flux pairs: H(82), C6H11R(98); C6H10R(90), C6H11R(98); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R -H(82)+C6H10R(90)<=>C6H11R(98) 1.803320e+13 0.128 0.000 - -! Reaction index: Chemkin #1210; RMG #1210 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10R(90)<=>C3H5R(12)+C6H11R(98) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #1211; RMG #1211 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(98); C6H10R(90), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(98) 1.225850e+27 -4.376 6.853 - -! Reaction index: Chemkin #1212; RMG #1212 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10R(90)<=>C3H6(18)+C6H11R(98) 2.451710e+27 -4.376 6.935 - -! Reaction index: Chemkin #1213; RMG #1213 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10R(90)<=>C2H3L(19)+C6H11R(98) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #1214; RMG #1214 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C8H16L(15)<=>C6H11R(98)+C8H15L(21) 1.225850e+27 -4.376 6.853 - -! Reaction index: Chemkin #1215; RMG #1215 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(24)+C6H11R(98) 1.225850e+27 -4.376 6.853 - -! Reaction index: Chemkin #1216; RMG #1216 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(98); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H11R(56)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1217; RMG #1217 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10R(90)<=>C5H9L(57)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1218; RMG #1218 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10R(90)<=>C3H5R(58)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1219; RMG #1219 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H10R(90)<=>C3H5L(59)+C6H11R(98) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1220; RMG #1220 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H10R(90)<=>C4H7R(60)+C6H11R(98) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1221; RMG #1221 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C8H16L(15)<=>C6H11R(98)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1222; RMG #1222 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(90)+C7H14R(9)<=>C6H11R(98)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1223; RMG #1223 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11R(98); C6H10R(90), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(90)+C6H12L(11)<=>C6H11L(63)+C6H11R(98) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1224; RMG #1224 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4R(78), C6H9LR(99); C3H5L(59), C6H9LR(99); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H4R(78)+C3H5L(59)<=>C6H9LR(99) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1225; RMG #1225 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4R(78), C7H9LR(100); C4H5L(91), C7H9LR(100); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H4R(78)+C4H5L(91)<=>C7H9LR(100) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #1226; RMG #1226 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H3L(19), CC(L)C[CH]L(101); C[CH]L(8), CC(L)C[CH]L(101); -! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C2H3L(19)+C[CH]L(8)<=>CC(L)C[CH]L(101) 1.710000e+03 2.410 3.550 - -! Reaction index: Chemkin #1227; RMG #1227 -! Library reaction: restart -! Flux pairs: CH3(74), CC(L)CC(C)L(35); CC(L)C[CH]L(101), CC(L)CC(C)L(35); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+CC(L)C[CH]L(101)<=>CC(L)CC(C)L(35) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #1228; RMG #1228 -! Library reaction: restart -! Flux pairs: C3H5(102), C6H11R(17); C[CH]CR(10), C6H11R(17); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C[CH]CR(10)<=>C6H11R(17) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1229; RMG #1229 -! Template reaction: R_Recombination -! Flux pairs: H(82), C3H6(18); C3H5(102), C3H6(18); -! Matched reaction 121 H + C3H5 <=> C3H6-2 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing] -! family: R_Recombination -H(82)+C3H5(102)<=>C3H6(18) 5.840000e+13 0.180 0.124 - -! Reaction index: Chemkin #1230; RMG #1230 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+[CH2]C(C)CR(6)<=>C3H5(102)+CC(C)CR(20) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1231; RMG #1231 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CR(10), CCCR(27); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C[CH]CR(10)<=>C3H5(102)+CCCR(27) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1232; RMG #1232 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+[CH2]C(C)L(4)<=>C3H5(102)+CC(C)L(13) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1233; RMG #1233 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C7H14R(9)<=>C3H5(102)+CC(C)CC(C)CR(23) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1234; RMG #1234 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C[CH]CC(C)L(7)<=>C3H5(102)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1235; RMG #1235 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C3H6(18)<=>CCL(26)+C3H5(102) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1236; RMG #1236 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H12L(11)<=>C3H5(102)+CC(C)CC(C)L(25) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1237; RMG #1237 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H6(18); C3H5(102), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C[CH]CR(10)<=>C3H5R(12)+C3H6(18) 2.451710e+27 -4.376 6.289 - -! Reaction index: Chemkin #1238; RMG #1238 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C3H6(18)<=>CR(22)+C3H5(102) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1239; RMG #1239 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C[CH]CC(C)CR(5)<=>C3H6(18)+C6H11R(17) 2.451710e+27 -4.376 6.116 - -! Reaction index: Chemkin #1240; RMG #1240 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C3H5(102)+C[CH]C(94)<=>C3H6(18)+C3H6(18) 4.903420e+27 -4.376 6.192 - -! Reaction index: Chemkin #1241; RMG #1241 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C[CH]CC(C)CR(5)<=>C3H5(102)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1242; RMG #1242 -! Library reaction: restart -! Flux pairs: C3H5(102), C3H6(18); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C3H5(102)<=>C2H3L(19)+C3H6(18) 2.451710e+27 -4.376 6.289 - -! Reaction index: Chemkin #1243; RMG #1243 -! Library reaction: restart -! Flux pairs: C3H5(102), C8H15L(21); C[CH]CC(C)L(7), C8H15L(21); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C[CH]CC(C)L(7)<=>C8H15L(21) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1244; RMG #1244 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C8H16L(15)<=>C3H5(102)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1245; RMG #1245 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C8H16L(15)<=>C3H6(18)+C8H15L(21) 2.451710e+27 -4.376 6.116 - -! Reaction index: Chemkin #1246; RMG #1246 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C5H9L(24); C3H5(102), C5H9L(24); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C3H5(102)<=>C5H9L(24) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1247; RMG #1247 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C[CH]CC(C)L(7)<=>C3H6(18)+C5H9L(24) 2.451710e+27 -4.376 6.116 - -! Reaction index: Chemkin #1248; RMG #1248 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C[CH]CC(C)CR(5)<=>C3H6(18)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1249; RMG #1249 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C[CH]CC(C)L(7)<=>C3H6(18)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1250; RMG #1250 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H6(18); C3H5(102), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C[CH]CR(10)<=>C3H5R(58)+C3H6(18) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1251; RMG #1251 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H6(18); C3H5(102), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H6(18) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1252; RMG #1252 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+[CH2]C(C)CR(6)<=>C3H6(18)+C4H7R(60) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1253; RMG #1253 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C8H16L(15)<=>C3H6(18)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1254; RMG #1254 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C7H14R(9)<=>C3H6(18)+C7H13R(62) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1255; RMG #1255 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H12L(11)<=>C3H6(18)+C6H11L(63) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1256; RMG #1256 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C10H20R(64)<=>C3H5(102)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1257; RMG #1257 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C3H6(18), C3H5(102); -! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(65)<=>C3H5(102)+RC10L(1) 1.014000e-03 4.340 3.700 - -! Reaction index: Chemkin #1258; RMG #1258 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(66)<=>C3H5(102)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1259; RMG #1259 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(67)<=>C3H5(102)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1260; RMG #1260 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(68)<=>C3H5(102)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1261; RMG #1261 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C3H6(18), C3H5(102); -! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(69)<=>C3H5(102)+RC10L(1) 1.014000e-03 4.340 3.700 - -! Reaction index: Chemkin #1262; RMG #1262 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(70)<=>C3H5(102)+RC10L(1) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1263; RMG #1263 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(71)<=>C3H5(102)+RC10L(1) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1264; RMG #1264 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C3H6(18), C3H5(102); -! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(72)<=>C3H5(102)+RC10L(1) 1.014000e-03 4.340 3.700 - -! Reaction index: Chemkin #1265; RMG #1265 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C9H17LR(73)<=>C3H5(102)+RC10L(1) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1266; RMG #1266 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); CH3(74), C(75); -! Matched reaction 757 CH3_r3 + C3H6 <=> CH4b + C3H5 in H_Abstraction/training -! This reaction matched rate rule [C/H3/Cd\H_Cd\H2;C_methyl] -! family: H_Abstraction -CH3(74)+C3H6(18)<=>C(75)+C3H5(102) 7.200000e-02 4.250 7.530 - -! Reaction index: Chemkin #1267; RMG #1267 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C10H20L(76)<=>C3H5(102)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1268; RMG #1268 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C5H9L(57)<=>C3H6(18)+C5H8L(77) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #1269; RMG #1269 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C5H8L(77)<=>C3H5(102)+C5H9L(84) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1270; RMG #1270 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); C3H4R(78), C3H5R(12); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C3H6(18)<=>C3H5R(12)+C3H5(102) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1271; RMG #1271 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); C3H4R(78), C3H5R(58); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C3H6(18)<=>C3H5R(58)+C3H5(102) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1272; RMG #1272 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(60); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C4H6R(79)<=>C3H5(102)+C4H7R(60) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1273; RMG #1273 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C3H5(102), C3H6(18); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C3H5(102)+C4H7R(81)<=>C3H6(18)+C4H6R(79) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #1274; RMG #1274 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); H(82), [H][H](83); -! Matched reaction 755 H + C3H6 <=> H2 + C3H5 in H_Abstraction/training -! This reaction matched rate rule [C/H3/Cd\H_Cd\H2;H_rad] -! family: H_Abstraction -H(82)+C3H6(18)<=>[H][H](83)+C3H5(102) 3.360000e+03 3.140 4.290 - -! Reaction index: Chemkin #1275; RMG #1275 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C7H15(85)<=>C3H5(102)+CC(C)CC(C)C(87) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #1276; RMG #1276 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C5H8L(89)<=>C3H5(102)+C5H9L(24) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1277; RMG #1277 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C3H6(18), C3H5(102); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C5H8L(89)<=>C3H5(102)+C5H9L(57) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1278; RMG #1278 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C6H11R(56)<=>C3H6(18)+C6H10R(90) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #1279; RMG #1279 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H10R(90)<=>C3H5(102)+C6H11R(98) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1280; RMG #1280 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), C[CH]C(94); C3H5(102), C3H6(18); -! Matched reaction 913 C3H5 + C3H8 <=> C3H6 + C3H7 in H_Abstraction/training -! This reaction matched rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/Cs\H3/Cs\H3] -! family: H_Abstraction -C3H5(102)+CCC(95)<=>C3H6(18)+C[CH]C(94) 5.840000e-02 4.340 16.600 - -! Reaction index: Chemkin #1281; RMG #1281 -! Library reaction: restart -! Flux pairs: H(82), C6H11L(63); C6H10L(103), C6H11L(63); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C6H10L(103)<=>C6H11L(63) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #1282; RMG #1282 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10L(103)<=>C3H5R(12)+C6H11L(63) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #1283; RMG #1283 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10L(103)<=>C3H6(18)+C6H11L(63) 2.451710e+27 -4.376 6.946 - -! Reaction index: Chemkin #1284; RMG #1284 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10L(103)<=>C2H3L(19)+C6H11L(63) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #1285; RMG #1285 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10L(103)<=>C3H5R(58)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1286; RMG #1286 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H10L(103)<=>C3H5L(59)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1287; RMG #1287 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11L(63)<=>CC(C)L(13)+C6H10L(103) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1288; RMG #1288 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H11L(63)<=>CCL(26)+C6H10L(103) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1289; RMG #1289 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H11L(63)<=>CR(22)+C6H10L(103) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1290; RMG #1290 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11L(63)+C6H11R(17) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #1291; RMG #1291 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(24)+C6H11L(63) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #1292; RMG #1292 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H10L(103)<=>C4H7R(60)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1293; RMG #1293 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(103)+C7H14R(9)<=>C6H11L(63)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1294; RMG #1294 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(103)+C6H12L(11)<=>C6H11L(63)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1295; RMG #1295 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C10H20R(64)<=>C6H10L(103)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1296; RMG #1296 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H11L(63)<=>CCCR(27)+C6H10L(103) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1297; RMG #1297 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11L(63)<=>CCCC(C)L(16)+C6H10L(103) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1298; RMG #1298 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C8H16L(15)<=>C6H11L(63)+C8H15L(21) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #1299; RMG #1299 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11L(63)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1300; RMG #1300 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(57)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1301; RMG #1301 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C8H16L(15)<=>C6H11L(63)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1302; RMG #1302 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11L(63)<=>CC(C)CR(20)+C6H10L(103) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1303; RMG #1303 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C[CH]CC(C)CR(5)<=>C6H10L(103)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1304; RMG #1304 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C7H14R(9)<=>C6H10L(103)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1305; RMG #1305 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C6H12L(11)<=>C6H10L(103)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1306; RMG #1306 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C8H16L(15)<=>C6H10L(103)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1307; RMG #1307 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H10L(103), C6H11L(63); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+RC10L(1)<=>C6H11L(63)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1308; RMG #1308 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C9H17LR(66)<=>C6H10L(103)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1309; RMG #1309 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C9H17LR(67)<=>C6H10L(103)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1310; RMG #1310 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C9H17LR(68)<=>C6H10L(103)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1311; RMG #1311 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H10L(103), C6H11L(63); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+RC10L(1)<=>C6H11L(63)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1312; RMG #1312 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C9H17LR(70)<=>C6H10L(103)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1313; RMG #1313 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C9H17LR(71)<=>C6H10L(103)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1314; RMG #1314 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H10L(103), C6H11L(63); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+RC10L(1)<=>C6H11L(63)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1315; RMG #1315 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C9H17LR(73)<=>C6H10L(103)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1316; RMG #1316 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H10L(103)<=>CH3(74)+C6H11L(63) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #1317; RMG #1317 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C10H20L(76)<=>C6H10L(103)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1318; RMG #1318 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10L(103)<=>C5H8L(77)+C6H11L(63) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1319; RMG #1319 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H11L(63)<=>C5H9L(84)+C6H10L(103) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1320; RMG #1320 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H11L(63)<=>C3H5R(12)+C6H10L(103) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1321; RMG #1321 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H11L(63)<=>C3H5R(58)+C6H10L(103) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1322; RMG #1322 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H11L(63)<=>C4H7R(60)+C6H10L(103) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1323; RMG #1323 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H11L(63)<=>C4H7R(81)+C6H10L(103) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1324; RMG #1324 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C6H10L(103)<=>H(82)+C6H11L(63) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #1325; RMG #1325 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C7H15(85)<=>C6H10L(103)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1326; RMG #1326 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C6H10L(103)<=>C5H8L(89)+C6H11L(63) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1327; RMG #1327 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H11L(63)<=>C5H9L(57)+C6H10L(103) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1328; RMG #1328 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H11L(63); C6H10L(103), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C6H11R(56)<=>C6H10R(90)+C6H11L(63) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1329; RMG #1329 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H11R(98); C6H10R(90), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C6H11L(63)<=>C6H10L(103)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1330; RMG #1330 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H10L(103)<=>C[CH]C(94)+C6H11L(63) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1331; RMG #1331 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H10L(103)<=>C3H5(102)+C6H11L(63) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1332; RMG #1332 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C6H10L(103); C5H7L(104), C6H10L(103); -! From training reaction 471 used for Cds-CsH_Cds-CdH;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C5H7L(104)<=>C6H10L(103) 1.130000e+04 2.410 4.000 - -! Reaction index: Chemkin #1333; RMG #1333 -! Library reaction: restart -! Flux pairs: C3H4R(78), C6H9R(105); C3H5(102), C6H9R(105); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C3H5(102)<=>C6H9R(105) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1334; RMG #1334 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C7H11L2(106); C5H7L(104), C7H11L2(106); -! From training reaction 293 used for Cds-HH_Cds-CdCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C5H7L(104)<=>C7H11L2(106) 2.180000e+03 2.410 0.340 - -! Reaction index: Chemkin #1335; RMG #1335 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(65)<=>C6H10L(103)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #1336; RMG #1336 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(69)<=>C6H10L(103)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #1337; RMG #1337 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(66)<=>C6H10L(103)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1338; RMG #1338 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(68)<=>C6H10L(103)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1339; RMG #1339 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(72)<=>C6H10L(103)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #1340; RMG #1340 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(73)<=>C6H10L(103)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1341; RMG #1341 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(71)<=>C6H10L(103)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1342; RMG #1342 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(67)<=>C6H10L(103)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1343; RMG #1343 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(70)<=>C6H10L(103)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1344; RMG #1344 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C10H20R(64)<=>C6H10L(103)+RC10(2) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1345; RMG #1345 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C10H20L(76)<=>C6H10L(103)+LC10(3) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1346; RMG #1346 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C6H10L(103)<=>C3H4R(78)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1347; RMG #1347 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11L(107)<=>CC(C)L(13)+C6H10L(103) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1348; RMG #1348 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11L(107)<=>CCCC(C)L(16)+C6H10L(103) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1349; RMG #1349 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C3H5(102), C3H6(18); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C3H5(102)+C6H11L(107)<=>C3H6(18)+C6H10L(103) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #1350; RMG #1350 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11L(107)<=>CC(C)CR(20)+C6H10L(103) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1351; RMG #1351 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+C6H11L(107)<=>CR(22)+C6H10L(103) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1352; RMG #1352 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C7H14R(9)<=>C6H10L(103)+CC(C)CC(C)CR(23) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1353; RMG #1353 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C6H10L(103)<=>C5H8L(89)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1354; RMG #1354 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C6H12L(11)<=>C6H10L(103)+CC(C)CC(C)L(25) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1355; RMG #1355 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]L(8)+C6H11L(107)<=>CCL(26)+C6H10L(103) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1356; RMG #1356 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CR(10)+C6H11L(107)<=>CCCR(27)+C6H10L(103) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1357; RMG #1357 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C[CH]CC(C)CR(5)<=>C6H10L(103)+CCCC(C)CR(32) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1358; RMG #1358 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H11L(107); C6H10L(103), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C6H11R(56)<=>C6H10R(90)+C6H11L(107) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1359; RMG #1359 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10L(103)<=>C5H8L(77)+C6H11L(107) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1360; RMG #1360 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H8L(89)+C6H11L(107)<=>C5H9L(57)+C6H10L(103) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1361; RMG #1361 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4R(78)+C6H11L(107)<=>C3H5R(58)+C6H10L(103) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1362; RMG #1362 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C6H10L(103)<=>C4H6R(79)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1363; RMG #1363 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H11L(107); C6H10L(103), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H11L(63)<=>C6H10L(103)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1364; RMG #1364 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+C6H11L(107)<=>C(75)+C6H10L(103) 1.350560e-01 4.253 7.537 - -! Reaction index: Chemkin #1365; RMG #1365 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(79)+C6H11L(107)<=>C4H7R(81)+C6H10L(103) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1366; RMG #1366 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+C6H11L(107)<=>[H][H](83)+C6H10L(103) 6.100680e+03 3.153 4.317 - -! Reaction index: Chemkin #1367; RMG #1367 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C6H10L(103)<=>C5H8L(77)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1368; RMG #1368 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C7H15(85)<=>C6H10L(103)+CC(C)CC(C)C(87) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1369; RMG #1369 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]C(94)+C6H11L(107)<=>CCC(95)+C6H10L(103) 2.016000e-03 4.340 4.700 - -! Reaction index: Chemkin #1370; RMG #1370 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H11L(107); C6H10L(103), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H11R(98)<=>C6H10R(90)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1371; RMG #1371 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10L(103)<=>C3H5R(58)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1372; RMG #1372 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10L(103)<=>C3H5R(12)+C6H11L(107) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #1373; RMG #1373 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10L(103)<=>C2H3L(19)+C6H11L(107) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #1374; RMG #1374 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H11L(107)+C8H16L(15)<=>C6H10L(103)+C8H17L(49) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1375; RMG #1375 -! Library reaction: restart -! Flux pairs: H(82), C6H11L(107); C6H10L(103), C6H11L(107); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C6H10L(103)<=>C6H11L(107) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #1376; RMG #1376 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11L(107); C6H10L(103), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11L(107) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #1377; RMG #1377 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10L(103)<=>C3H6(18)+C6H11L(107) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #1378; RMG #1378 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C8H16L(15)<=>C6H11L(107)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #1379; RMG #1379 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(24)+C6H11L(107) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #1380; RMG #1380 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C[CH]CC(C)CR(5)<=>C6H11L(107)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1381; RMG #1381 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10L(103)<=>C5H9L(57)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1382; RMG #1382 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H10L(103)<=>C3H5L(59)+C6H11L(107) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1383; RMG #1383 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H10L(103)<=>C4H7R(60)+C6H11L(107) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1384; RMG #1384 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C8H16L(15)<=>C6H11L(107)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1385; RMG #1385 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10L(103)+C7H14R(9)<=>C6H11L(107)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1386; RMG #1386 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(107); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10L(103)+C6H12L(11)<=>C6H11L(63)+C6H11L(107) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1387; RMG #1387 -! Library reaction: restart -! Flux pairs: H(82), C7H13R(62); C7H12R(108), C7H13R(62); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C7H12R(108)<=>C7H13R(62) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #1388; RMG #1388 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C7H12R(108)<=>C3H5R(12)+C7H13R(62) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #1389; RMG #1389 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C7H12R(108)<=>C3H6(18)+C7H13R(62) 2.451710e+27 -4.376 6.946 - -! Reaction index: Chemkin #1390; RMG #1390 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C7H12R(108)<=>C2H3L(19)+C7H13R(62) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #1391; RMG #1391 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C7H12R(108)<=>C3H5R(58)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1392; RMG #1392 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C7H12R(108)<=>C3H5L(59)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1393; RMG #1393 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C7H13R(62)<=>CC(C)L(13)+C7H12R(108) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1394; RMG #1394 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C7H13R(62)<=>CCL(26)+C7H12R(108) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1395; RMG #1395 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C7H13R(62)<=>CR(22)+C7H12R(108) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1396; RMG #1396 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(17)+C7H13R(62) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #1397; RMG #1397 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(24)+C7H13R(62) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #1398; RMG #1398 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C7H12R(108)<=>C4H7R(60)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1399; RMG #1399 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H12R(108)+C7H14R(9)<=>C7H13R(62)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1400; RMG #1400 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C7H12R(108)<=>C6H11L(63)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1401; RMG #1401 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C10H20R(64)<=>C7H12R(108)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1402; RMG #1402 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C7H13R(62)<=>CC(C)CR(20)+C7H12R(108) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1403; RMG #1403 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C7H13R(62)<=>CCCR(27)+C7H12R(108) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1404; RMG #1404 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C7H13R(62)<=>CCCC(C)CR(32)+C7H12R(108) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1405; RMG #1405 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C7H14R(9)<=>C7H12R(108)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1406; RMG #1406 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C7H13R(62)<=>CCCC(C)L(16)+C7H12R(108) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1407; RMG #1407 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C7H13R(62)<=>CC(C)CC(C)L(25)+C7H12R(108) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1408; RMG #1408 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C8H16L(15)<=>C7H12R(108)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1409; RMG #1409 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C8H16L(15)<=>C7H13R(62)+C8H15L(21) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #1410; RMG #1410 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(56)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1411; RMG #1411 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(57)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1412; RMG #1412 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C8H16L(15)<=>C7H13R(62)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1413; RMG #1413 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C7H12R(108), C7H13R(62); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+RC10L(1)<=>C7H13R(62)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1414; RMG #1414 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C9H17LR(66)<=>C7H12R(108)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1415; RMG #1415 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C9H17LR(67)<=>C7H12R(108)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1416; RMG #1416 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C9H17LR(68)<=>C7H12R(108)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1417; RMG #1417 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C7H12R(108), C7H13R(62); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+RC10L(1)<=>C7H13R(62)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1418; RMG #1418 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C9H17LR(70)<=>C7H12R(108)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1419; RMG #1419 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C9H17LR(71)<=>C7H12R(108)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1420; RMG #1420 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C7H12R(108), C7H13R(62); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+RC10L(1)<=>C7H13R(62)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1421; RMG #1421 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C9H17LR(73)<=>C7H12R(108)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1422; RMG #1422 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C7H12R(108)<=>CH3(74)+C7H13R(62) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #1423; RMG #1423 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C10H20L(76)<=>C7H12R(108)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1424; RMG #1424 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C7H12R(108)<=>C5H8L(77)+C7H13R(62) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1425; RMG #1425 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C7H13R(62)<=>C5H9L(84)+C7H12R(108) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1426; RMG #1426 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C7H13R(62)<=>C3H5R(12)+C7H12R(108) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1427; RMG #1427 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C7H13R(62)<=>C3H5R(58)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1428; RMG #1428 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C7H13R(62)<=>C4H7R(60)+C7H12R(108) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1429; RMG #1429 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C7H13R(62)<=>C4H7R(81)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1430; RMG #1430 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C7H12R(108)<=>H(82)+C7H13R(62) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #1431; RMG #1431 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C7H15(85)<=>C7H12R(108)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1432; RMG #1432 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C7H12R(108)<=>C5H8L(89)+C7H13R(62) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1433; RMG #1433 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C7H13R(62)<=>C5H9L(57)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1434; RMG #1434 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H11R(56), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C7H12R(108)<=>C6H10R(90)+C7H13R(62) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1435; RMG #1435 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C6H10R(90), C6H11R(98); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C7H13R(62)<=>C6H11R(98)+C7H12R(108) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1436; RMG #1436 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C7H12R(108)<=>C[CH]C(94)+C7H13R(62) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1437; RMG #1437 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C7H12R(108)<=>C3H5(102)+C7H13R(62) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1438; RMG #1438 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C7H12R(108)<=>C6H10L(103)+C7H13R(62) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1439; RMG #1439 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C7H13R(62)<=>C6H11L(107)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1440; RMG #1440 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H12R(109); -! Estimated from node Backbone0 -C7H12R(108)<=>C7H12R(109) 1.014560e+05 2.304 30.391 - -! Reaction index: Chemkin #1441; RMG #1441 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]R(14), C7H12R(108); C6H10(110), C7H12R(108); -! From training reaction 472 used for Cds-CsH_Cds-CdH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]R(14)+C6H10(110)<=>C7H12R(108) 1.150000e+03 2.410 3.430 - -! Reaction index: Chemkin #1442; RMG #1442 -! Library reaction: restart -! Flux pairs: C3H4R(78), C6H9R(111); C3H5(102), C6H9R(111); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C3H5(102)<=>C6H9R(111) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1443; RMG #1443 -! Library reaction: restart -! Flux pairs: H(82), C8H15L(61); C8H14L(112), C8H15L(61); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -H(82)+C8H14L(112)<=>C8H15L(61) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #1444; RMG #1444 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C8H14L(112)<=>C3H5R(12)+C8H15L(61) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #1445; RMG #1445 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C8H14L(112)<=>C3H6(18)+C8H15L(61) 2.451710e+27 -4.376 7.254 - -! Reaction index: Chemkin #1446; RMG #1446 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C8H14L(112)<=>C2H3L(19)+C8H15L(61) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #1447; RMG #1447 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C8H14L(112)<=>C3H5R(58)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1448; RMG #1448 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C8H14L(112)<=>C3H5L(59)+C8H15L(61) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1449; RMG #1449 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C8H15L(61)<=>CCCR(27)+C8H14L(112) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1450; RMG #1450 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C8H15L(61)<=>CCL(26)+C8H14L(112) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1451; RMG #1451 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C8H14L(112)<=>C6H11R(17)+C8H15L(61) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #1452; RMG #1452 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C8H14L(112), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C8H16L(15)<=>C8H15L(21)+C8H15L(61) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #1453; RMG #1453 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C8H14L(112)<=>C5H9L(24)+C8H15L(61) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #1454; RMG #1454 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C8H14L(112)<=>C6H11R(56)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1455; RMG #1455 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C8H14L(112)<=>C5H9L(57)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1456; RMG #1456 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C8H14L(112)<=>C4H7R(60)+C8H15L(61) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1457; RMG #1457 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C8H16L(15)<=>C8H15L(61)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1458; RMG #1458 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C8H14L(112)<=>C7H13R(62)+C8H15L(61) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1459; RMG #1459 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C8H14L(112)<=>C6H11L(63)+C8H15L(61) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1460; RMG #1460 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C8H15L(61)<=>CC(C)L(13)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1461; RMG #1461 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H12L(11)+C8H15L(61)<=>CC(C)CC(C)L(25)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1462; RMG #1462 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C8H15L(61)<=>CR(22)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1463; RMG #1463 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C10H20R(64)<=>C8H14L(112)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1464; RMG #1464 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C8H15L(61), C8H14L(112); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(65)<=>C8H14L(112)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #1465; RMG #1465 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(66)<=>C8H14L(112)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1466; RMG #1466 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(67)<=>C8H14L(112)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1467; RMG #1467 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C8H15L(61)<=>CC(C)CR(20)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1468; RMG #1468 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C8H15L(61)<=>CCCC(C)CR(32)+C8H14L(112) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1469; RMG #1469 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H14R(9)+C8H15L(61)<=>CC(C)CC(C)CR(23)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1470; RMG #1470 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C8H15L(61)<=>CCCC(C)L(16)+C8H14L(112) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1471; RMG #1471 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(68)<=>C8H14L(112)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1472; RMG #1472 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C8H15L(61), C8H14L(112); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(69)<=>C8H14L(112)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #1473; RMG #1473 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C8H16L(15)<=>C8H14L(112)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1474; RMG #1474 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(70)<=>C8H14L(112)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1475; RMG #1475 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(71)<=>C8H14L(112)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1476; RMG #1476 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C8H15L(61), C8H14L(112); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(72)<=>C8H14L(112)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #1477; RMG #1477 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C9H17LR(73)<=>C8H14L(112)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1478; RMG #1478 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C8H15L(61)<=>C(75)+C8H14L(112) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #1479; RMG #1479 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C8H15L(61)+C10H20L(76)<=>C8H14L(112)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1480; RMG #1480 -! Template reaction: H_Abstraction -! Flux pairs: C8H14L(112), C8H15L(61); C5H9L(57), C5H8L(77); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C8H14L(112)<=>C5H8L(77)+C8H15L(61) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #1481; RMG #1481 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H8L(77), C5H9L(84); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C8H15L(61)<=>C5H9L(84)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1482; RMG #1482 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C8H15L(61)<=>C3H5R(12)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1483; RMG #1483 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C8H15L(61)<=>C3H5R(58)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1484; RMG #1484 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C8H15L(61)<=>C4H7R(60)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1485; RMG #1485 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C8H15L(61)<=>C4H7R(81)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1486; RMG #1486 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C8H15L(61)<=>[H][H](83)+C8H14L(112) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #1487; RMG #1487 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C7H15(85), CC(C)CC(C)C(87); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H15(85)+C8H15L(61)<=>CC(C)CC(C)C(87)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #1488; RMG #1488 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H8L(89), C5H9L(24); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C8H15L(61)<=>C5H9L(24)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1489; RMG #1489 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H8L(89), C5H9L(57); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C8H15L(61)<=>C5H9L(57)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1490; RMG #1490 -! Template reaction: H_Abstraction -! Flux pairs: C8H14L(112), C8H15L(61); C6H11R(56), C6H10R(90); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C8H14L(112)<=>C6H10R(90)+C8H15L(61) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #1491; RMG #1491 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H10R(90), C6H11R(98); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C8H15L(61)<=>C6H11R(98)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1492; RMG #1492 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C8H15L(61)<=>CCC(95)+C8H14L(112) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #1493; RMG #1493 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C8H15L(61)<=>C3H6(18)+C8H14L(112) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #1494; RMG #1494 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H10L(103), C6H11L(63); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C8H15L(61)<=>C6H11L(63)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1495; RMG #1495 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C8H15L(61)<=>C6H11L(107)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1496; RMG #1496 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C7H12R(108), C7H13R(62); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+C8H15L(61)<=>C7H13R(62)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1497; RMG #1497 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C8H14L(112); C6H10(110), C8H14L(112); -! From training reaction 293 used for Cds-HH_Cds-CdCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C6H10(110)<=>C8H14L(112) 2.180000e+03 2.410 0.340 - -! Reaction index: Chemkin #1498; RMG #1498 -! Library reaction: restart -! Flux pairs: H(82), C6H10(110); C6H9(113), C6H10(110); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C6H9(113)<=>C6H10(110) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #1499; RMG #1499 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H10(110)<=>CC(C)CR(20)+C6H9(113) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1500; RMG #1500 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C6H10(110)<=>CCCR(27)+C6H9(113) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1501; RMG #1501 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C[CH]CC(C)CR(5)<=>C6H9(113)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1502; RMG #1502 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H10(110)<=>CC(C)L(13)+C6H9(113) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1503; RMG #1503 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C7H14R(9)<=>C6H9(113)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1504; RMG #1504 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H10(110)<=>CCCC(C)L(16)+C6H9(113) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1505; RMG #1505 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C6H10(110)<=>CCL(26)+C6H9(113) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1506; RMG #1506 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C6H12L(11)<=>C6H9(113)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1507; RMG #1507 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H9(113)<=>C3H5R(12)+C6H10(110) 1.225850e+27 -4.376 8.296 - -! Reaction index: Chemkin #1508; RMG #1508 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C6H10(110)<=>CR(22)+C6H9(113) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1509; RMG #1509 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C[CH]CC(C)CR(5)<=>C6H10(110)+C6H11R(17) 1.225850e+27 -4.376 8.091 - -! Reaction index: Chemkin #1510; RMG #1510 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H9(113)<=>C3H6(18)+C6H10(110) 2.451710e+27 -4.376 8.181 - -! Reaction index: Chemkin #1511; RMG #1511 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H9(113)<=>C2H3L(19)+C6H10(110) 1.225850e+27 -4.376 8.296 - -! Reaction index: Chemkin #1512; RMG #1512 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C8H16L(15)<=>C6H10(110)+C8H15L(21) 1.225850e+27 -4.376 8.091 - -! Reaction index: Chemkin #1513; RMG #1513 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H9(113)<=>C5H9L(24)+C6H10(110) 1.225850e+27 -4.376 8.091 - -! Reaction index: Chemkin #1514; RMG #1514 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C[CH]CC(C)CR(5)<=>C6H10(110)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1515; RMG #1515 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H9(113)<=>C5H9L(57)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1516; RMG #1516 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H9(113)<=>C3H5R(58)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1517; RMG #1517 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H9(113)<=>C3H5L(59)+C6H10(110) 7.830000e+11 0.000 0.230 - -! Reaction index: Chemkin #1518; RMG #1518 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H9(113)<=>C4H7R(60)+C6H10(110) 7.830000e+11 0.000 0.230 - -! Reaction index: Chemkin #1519; RMG #1519 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C8H16L(15)<=>C6H10(110)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1520; RMG #1520 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H9(113)+C7H14R(9)<=>C6H10(110)+C7H13R(62) 7.830000e+11 0.000 0.188 - -! Reaction index: Chemkin #1521; RMG #1521 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H9(113)+C6H12L(11)<=>C6H10(110)+C6H11L(63) 7.830000e+11 0.000 0.188 - -! Reaction index: Chemkin #1522; RMG #1522 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C9H17LR(67)<=>C6H9(113)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1523; RMG #1523 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C9H17LR(70)<=>C6H9(113)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1524; RMG #1524 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C(75), CH3(74); -! From training reaction 829 used for C_methane;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C_methane;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H9(113)<=>CH3(74)+C6H10(110) 5.600000e-02 4.340 25.430 - -! Reaction index: Chemkin #1525; RMG #1525 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C5H9L(57), C5H8L(77); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H9(113)<=>C5H8L(77)+C6H10(110) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1526; RMG #1526 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(77)+C6H10(110)<=>C5H9L(84)+C6H9(113) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1527; RMG #1527 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C6H10(110)<=>C3H5R(12)+C6H9(113) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1528; RMG #1528 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C6H10(110)<=>C3H5R(58)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1529; RMG #1529 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C6H10(110)<=>C4H7R(60)+C6H9(113) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1530; RMG #1530 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C6H10(110)<=>C4H7R(81)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1531; RMG #1531 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); [H][H](83), H(82); -! From training reaction 789 used for H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 102.7 to 103.8 kJ/mol to match endothermicity of reaction. -[H][H](83)+C6H9(113)<=>H(82)+C6H10(110) 6.060000e-02 4.340 24.813 - -! Reaction index: Chemkin #1532; RMG #1532 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C7H15(85)<=>C6H9(113)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1533; RMG #1533 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(89)+C6H10(110)<=>C5H9L(24)+C6H9(113) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1534; RMG #1534 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(89)+C6H10(110)<=>C5H9L(57)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1535; RMG #1535 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H9(113), C6H10(110); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+C6H11R(56)<=>C6H10(110)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1536; RMG #1536 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C6H10R(90)<=>C6H9(113)+C6H11R(98) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1537; RMG #1537 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); CCC(95), C[CH]C(94); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H9(113)<=>C[CH]C(94)+C6H10(110) 2.920000e-02 4.340 18.905 - -! Reaction index: Chemkin #1538; RMG #1538 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C3H6(18), C3H5(102); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H9(113)<=>C3H5(102)+C6H10(110) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1539; RMG #1539 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C6H10L(103)<=>C6H9(113)+C6H11L(63) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1540; RMG #1540 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C6H10L(103)<=>C6H9(113)+C6H11L(107) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1541; RMG #1541 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C7H12R(108)<=>C6H9(113)+C7H13R(62) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1542; RMG #1542 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C8H16L(15)<=>C6H9(113)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1543; RMG #1543 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C10H20R(64)<=>C6H9(113)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1544; RMG #1544 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H9(113), C6H10(110); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+RC10L(1)<=>C6H10(110)+C9H17LR(65) 1.690000e-02 4.340 16.850 - -! Reaction index: Chemkin #1545; RMG #1545 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C9H17LR(66)<=>C6H9(113)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1546; RMG #1546 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C9H17LR(68)<=>C6H9(113)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1547; RMG #1547 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H9(113), C6H10(110); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+RC10L(1)<=>C6H10(110)+C9H17LR(69) 1.690000e-02 4.340 16.850 - -! Reaction index: Chemkin #1548; RMG #1548 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C9H17LR(71)<=>C6H9(113)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1549; RMG #1549 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H9(113), C6H10(110); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+RC10L(1)<=>C6H10(110)+C9H17LR(72) 1.690000e-02 4.340 16.850 - -! Reaction index: Chemkin #1550; RMG #1550 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C9H17LR(73)<=>C6H9(113)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #1551; RMG #1551 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C10H20L(76)<=>C6H9(113)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #1552; RMG #1552 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H9(113), C6H10(110); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+C8H15L(61)<=>C6H10(110)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1553; RMG #1553 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H9(114); -! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S -C6H9(113)<=>C6H9(114) 1.572550e+29 -4.713 38.794 - -! Reaction index: Chemkin #1554; RMG #1554 -! Library reaction: restart -! Flux pairs: C6H9(114), C12H18(115); C6H9(114), C12H18(115); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H9(114)+C6H9(114)<=>C12H18(115) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #1555; RMG #1555 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H9(114), C6H10(116); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+RC10L(1)<=>C6H10(116)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1556; RMG #1556 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H9(114), C6H10(116); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+RC10L(1)<=>C6H10(116)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1557; RMG #1557 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(66)<=>C6H9(114)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1558; RMG #1558 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(68)<=>C6H9(114)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1559; RMG #1559 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H9(114), C6H10(116); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+RC10L(1)<=>C6H10(116)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #1560; RMG #1560 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(73)<=>C6H9(114)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1561; RMG #1561 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(71)<=>C6H9(114)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1562; RMG #1562 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(67)<=>C6H9(114)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1563; RMG #1563 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(70)<=>C6H9(114)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1564; RMG #1564 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C10H20R(64)<=>C6H9(114)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1565; RMG #1565 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C10H20L(76)<=>C6H9(114)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1566; RMG #1566 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H9(114)<=>C3H5R(58)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1567; RMG #1567 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H9(114)<=>C3H5R(12)+C6H10(116) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #1568; RMG #1568 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H9(114)<=>C2H3L(19)+C6H10(116) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #1569; RMG #1569 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H10(116)<=>C3H5R(12)+C6H9(114) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1570; RMG #1570 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H10(116)<=>CC(C)L(13)+C6H9(114) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1571; RMG #1571 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H10(116)<=>CCCC(C)L(16)+C6H9(114) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1572; RMG #1572 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H9(114)<=>C3H5(102)+C6H10(116) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1573; RMG #1573 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H10(116)<=>CC(C)CR(20)+C6H9(114) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1574; RMG #1574 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H10(116)<=>CR(22)+C6H9(114) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1575; RMG #1575 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H14R(9)<=>C6H9(114)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1576; RMG #1576 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H10(116)<=>C5H9L(24)+C6H9(114) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1577; RMG #1577 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C6H12L(11)<=>C6H9(114)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1578; RMG #1578 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H10(116)<=>CCL(26)+C6H9(114) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1579; RMG #1579 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H10(116)<=>CCCR(27)+C6H9(114) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1580; RMG #1580 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C[CH]CC(C)CR(5)<=>C6H9(114)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1581; RMG #1581 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C8H16L(15)<=>C6H9(114)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #1582; RMG #1582 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H9(114), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+C6H11R(56)<=>C6H10(116)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1583; RMG #1583 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H9(114)<=>C5H8L(77)+C6H10(116) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1584; RMG #1584 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H10(116)<=>C5H9L(57)+C6H9(114) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1585; RMG #1585 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H10(116)<=>C3H5R(58)+C6H9(114) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1586; RMG #1586 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H10(116)<=>C4H7R(60)+C6H9(114) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1587; RMG #1587 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H9(114), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+C8H15L(61)<=>C6H10(116)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #1588; RMG #1588 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H12R(108)<=>C6H9(114)+C7H13R(62) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1589; RMG #1589 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11L(63); C6H10L(103), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H10(116)<=>C6H9(114)+C6H11L(63) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1590; RMG #1590 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H9(114)<=>CH3(74)+C6H10(116) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #1591; RMG #1591 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H10(116)<=>C4H7R(81)+C6H9(114) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1592; RMG #1592 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. -! Ea raised from 93.1 to 93.1 kJ/mol to match endothermicity of reaction. -[H][H](83)+C6H9(114)<=>H(82)+C6H10(116) 4.580000e-02 4.340 22.252 - -! Reaction index: Chemkin #1593; RMG #1593 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H10(116)<=>C5H9L(84)+C6H9(114) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1594; RMG #1594 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H15(85)<=>C6H9(114)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #1595; RMG #1595 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H9(114)<=>C3H6(18)+C6H10(116) 2.451710e+27 -4.376 7.519 - -! Reaction index: Chemkin #1596; RMG #1596 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H9(114)<=>C[CH]C(94)+C6H10(116) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #1597; RMG #1597 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C6H10R(90)<=>C6H9(114)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #1598; RMG #1598 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11L(107); C6H10L(103), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H10(116)<=>C6H9(114)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1599; RMG #1599 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H10(116); C6H9(114), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9(114)+C6H10(110)<=>C6H9(113)+C6H10(116) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #1600; RMG #1600 -! Library reaction: restart -! Flux pairs: H(82), C6H10(116); C6H9(114), C6H10(116); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C6H9(114)<=>C6H10(116) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #1601; RMG #1601 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(17) 1.225850e+27 -4.376 7.433 - -! Reaction index: Chemkin #1602; RMG #1602 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C8H16L(15)<=>C6H10(116)+C8H15L(21) 1.225850e+27 -4.376 7.433 - -! Reaction index: Chemkin #1603; RMG #1603 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H9(114)<=>C5H9L(24)+C6H10(116) 1.225850e+27 -4.376 7.433 - -! Reaction index: Chemkin #1604; RMG #1604 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1605; RMG #1605 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H9(114)<=>C5H9L(57)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1606; RMG #1606 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H9(114)<=>C3H5L(59)+C6H10(116) 5.258140e+13 -0.550 0.110 - -! Reaction index: Chemkin #1607; RMG #1607 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H9(114)<=>C4H7R(60)+C6H10(116) 5.258140e+13 -0.550 0.110 - -! Reaction index: Chemkin #1608; RMG #1608 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C8H16L(15)<=>C6H10(116)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1609; RMG #1609 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H9(114)+C7H14R(9)<=>C6H10(116)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1610; RMG #1610 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H9(114)+C6H12L(11)<=>C6H10(116)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #1611; RMG #1611 -! Library reaction: restart -! Flux pairs: C6H9(114), C12H18(117); C6H9(114), C12H18(117); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H9(114)+C6H9(114)<=>C12H18(117) 2.500000e+13 -0.000 0.000 - -! Reaction index: Chemkin #1612; RMG #1612 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H9(114); C6H8(118), C6H9(114); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H8(118)<=>C6H9(114) 1.650000e+09 1.480 0.900 - -! Reaction index: Chemkin #1613; RMG #1613 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H9(114)<=>CCCR(27)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1614; RMG #1614 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C6H9(114)<=>CCL(26)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1615; RMG #1615 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C6H9(114)<=>CR(22)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1616; RMG #1616 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C6H9(114)<=>C(75)+C6H8(118) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #1617; RMG #1617 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H9(114)<=>C5H9L(57)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1618; RMG #1618 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H9(114)<=>C5H9L(84)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1619; RMG #1619 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H9(114)<=>C3H5R(12)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1620; RMG #1620 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H9(114)<=>C3H5R(58)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1621; RMG #1621 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H9(114)<=>C4H7R(60)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1622; RMG #1622 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H9(114)<=>C4H7R(81)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1623; RMG #1623 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H9(114)<=>C5H9L(24)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1624; RMG #1624 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H9(114)<=>C5H9L(57)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1625; RMG #1625 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(90)<=>C6H8(118)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1626; RMG #1626 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(90)<=>C6H8(118)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1627; RMG #1627 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C6H9(114)<=>CCC(95)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1628; RMG #1628 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C6H9(114)<=>C3H6(18)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1629; RMG #1629 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(103)<=>C6H8(118)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1630; RMG #1630 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(103)<=>C6H8(118)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1631; RMG #1631 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(108)<=>C6H8(118)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1632; RMG #1632 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H9(113)<=>C6H8(118)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1633; RMG #1633 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H9(114)<=>C6H8(118)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1634; RMG #1634 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C8H14L(112)<=>C6H8(118)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1635; RMG #1635 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(65)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1636; RMG #1636 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(69)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1637; RMG #1637 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(66)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1638; RMG #1638 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(68)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1639; RMG #1639 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(72)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1640; RMG #1640 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(73)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1641; RMG #1641 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(71)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1642; RMG #1642 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(67)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1643; RMG #1643 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(70)<=>C6H8(118)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1644; RMG #1644 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H20R(64)<=>C6H8(118)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1645; RMG #1645 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H20L(76)<=>C6H8(118)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1646; RMG #1646 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H9(114)<=>CC(C)L(13)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1647; RMG #1647 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H9(114)<=>CCCC(C)L(16)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1648; RMG #1648 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H9(114)<=>CC(C)CR(20)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1649; RMG #1649 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H14R(9)<=>C6H8(118)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1650; RMG #1650 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H12L(11)<=>C6H8(118)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1651; RMG #1651 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C[CH]CC(C)CR(5)<=>C6H8(118)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1652; RMG #1652 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C8H16L(15)<=>C6H8(118)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1653; RMG #1653 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C6H9(114)<=>C(75)+C6H8(118) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #1654; RMG #1654 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C6H9(114)<=>C(75)+C6H8(118) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #1655; RMG #1655 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C6H9(114)<=>[H][H](83)+C6H8(118) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #1656; RMG #1656 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H15(85)<=>C6H8(118)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1657; RMG #1657 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H14L(119); C6H9(113), C10H14L(119); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H9(113)<=>C10H14L(119) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #1658; RMG #1658 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(65)<=>C7H12R(108)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #1659; RMG #1659 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(69)<=>C7H12R(108)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #1660; RMG #1660 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(66)<=>C7H12R(108)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1661; RMG #1661 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(68)<=>C7H12R(108)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1662; RMG #1662 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(72)<=>C7H12R(108)+RC10L(1) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #1663; RMG #1663 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(73)<=>C7H12R(108)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1664; RMG #1664 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(71)<=>C7H12R(108)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1665; RMG #1665 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(67)<=>C7H12R(108)+RC10L(1) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1666; RMG #1666 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(70)<=>C7H12R(108)+RC10L(1) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1667; RMG #1667 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C10H20R(64)<=>C7H12R(108)+RC10(2) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1668; RMG #1668 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C10H20L(76)<=>C7H12R(108)+LC10(3) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1669; RMG #1669 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C7H12R(108)<=>C3H5R(58)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1670; RMG #1670 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C7H12R(108)<=>C3H5R(12)+C7H13R(120) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #1671; RMG #1671 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C7H12R(108)<=>C2H3L(19)+C7H13R(120) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #1672; RMG #1672 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C7H12R(108)<=>C3H4R(78)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1673; RMG #1673 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C7H13R(120)<=>CC(C)L(13)+C7H12R(108) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1674; RMG #1674 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C7H13R(120)<=>CCCC(C)L(16)+C7H12R(108) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1675; RMG #1675 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C3H5(102), C3H6(18); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C3H5(102)+C7H13R(120)<=>C3H6(18)+C7H12R(108) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #1676; RMG #1676 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C7H13R(120)<=>CC(C)CR(20)+C7H12R(108) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1677; RMG #1677 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+C7H13R(120)<=>CR(22)+C7H12R(108) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1678; RMG #1678 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C7H14R(9)<=>C7H12R(108)+CC(C)CC(C)CR(23) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1679; RMG #1679 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C7H12R(108)<=>C5H8L(89)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1680; RMG #1680 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H12L(11)+C7H13R(120)<=>CC(C)CC(C)L(25)+C7H12R(108) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1681; RMG #1681 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]L(8)+C7H13R(120)<=>CCL(26)+C7H12R(108) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1682; RMG #1682 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CR(10)+C7H13R(120)<=>CCCR(27)+C7H12R(108) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1683; RMG #1683 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C7H13R(120)<=>CCCC(C)CR(32)+C7H12R(108) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1684; RMG #1684 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C8H16L(15)<=>C7H12R(108)+C8H17L(49) 1.956390e-03 4.260 6.640 - -! Reaction index: Chemkin #1685; RMG #1685 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C7H12R(108)<=>C6H10R(90)+C7H13R(120) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1686; RMG #1686 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C7H12R(108)<=>C5H8L(77)+C7H13R(120) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1687; RMG #1687 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H8L(89)+C7H13R(120)<=>C5H9L(57)+C7H12R(108) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1688; RMG #1688 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4R(78)+C7H13R(120)<=>C3H5R(58)+C7H12R(108) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1689; RMG #1689 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C7H12R(108)<=>C4H6R(79)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1690; RMG #1690 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C7H12R(108), C7H13R(120); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+C8H15L(61)<=>C7H13R(120)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #1691; RMG #1691 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H13R(120); C7H12R(108), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C7H13R(62)<=>C7H12R(108)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1692; RMG #1692 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C7H12R(108)<=>C6H10L(103)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1693; RMG #1693 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+C7H13R(120)<=>C(75)+C7H12R(108) 1.350560e-01 4.253 7.537 - -! Reaction index: Chemkin #1694; RMG #1694 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(79)+C7H13R(120)<=>C4H7R(81)+C7H12R(108) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1695; RMG #1695 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+C7H13R(120)<=>[H][H](83)+C7H12R(108) 6.100680e+03 3.153 4.317 - -! Reaction index: Chemkin #1696; RMG #1696 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C7H12R(108)<=>C5H8L(77)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1697; RMG #1697 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C7H13R(120)+C7H15(85)<=>C7H12R(108)+CC(C)CC(C)C(87) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #1698; RMG #1698 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C[CH]C(94), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]C(94)+C7H13R(120)<=>CCC(95)+C7H12R(108) 2.016000e-03 4.340 4.700 - -! Reaction index: Chemkin #1699; RMG #1699 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C7H12R(108)<=>C6H10R(90)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1700; RMG #1700 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H10L(103)+C7H13R(120)<=>C6H11L(107)+C7H12R(108) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1701; RMG #1701 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C7H12R(108)<=>C6H9(113)+C7H13R(120) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #1702; RMG #1702 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(108)<=>C6H8(118)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1703; RMG #1703 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H12R(108)<=>C6H9(114)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #1704; RMG #1704 -! Library reaction: restart -! Flux pairs: H(82), C7H13R(120); C7H12R(108), C7H13R(120); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C7H12R(108)<=>C7H13R(120) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #1705; RMG #1705 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(17)+C7H13R(120) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #1706; RMG #1706 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C7H12R(108)<=>C3H6(18)+C7H13R(120) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #1707; RMG #1707 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C8H16L(15)<=>C7H13R(120)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #1708; RMG #1708 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(24)+C7H13R(120) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #1709; RMG #1709 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C7H12R(108)<=>C6H11R(56)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1710; RMG #1710 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C7H12R(108)<=>C5H9L(57)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1711; RMG #1711 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C7H12R(108)<=>C3H5L(59)+C7H13R(120) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1712; RMG #1712 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C7H12R(108)<=>C4H7R(60)+C7H13R(120) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1713; RMG #1713 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C8H16L(15)<=>C7H13R(120)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1714; RMG #1714 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(120); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C7H12R(108)+C7H14R(9)<=>C7H13R(62)+C7H13R(120) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1715; RMG #1715 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H12L(11)+C7H12R(108)<=>C6H11L(63)+C7H13R(120) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #1716; RMG #1716 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H14L(121); C6H9(113), C10H14L(121); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H9(113)<=>C10H14L(121) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #1717; RMG #1717 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H14L(122); C6H9(113), C9H14L(122); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H9(113)<=>C9H14L(122) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1718; RMG #1718 -! Template reaction: R_Recombination -! Flux pairs: H(82), C6H8(118); C6H7(123), C6H8(118); -! Matched reaction 14 C6H7-2 + H <=> C6H8-3 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R] -! family: R_Recombination -H(82)+C6H7(123)<=>C6H8(118) 1.884000e+13 0.408 0.002 - -! Reaction index: Chemkin #1719; RMG #1719 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H8(118)<=>CC(C)CR(20)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1720; RMG #1720 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H8(118)<=>CCCR(27)+C6H7(123) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1721; RMG #1721 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C[CH]CC(C)CR(5)<=>C6H7(123)+CCCC(C)CR(32) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1722; RMG #1722 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H8(118)<=>CC(C)L(13)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1723; RMG #1723 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C7H14R(9)<=>C6H7(123)+CC(C)CC(C)CR(23) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1724; RMG #1724 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H8(118)<=>CCCC(C)L(16)+C6H7(123) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1725; RMG #1725 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H8(118)<=>CCL(26)+C6H7(123) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1726; RMG #1726 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H12L(11)<=>C6H7(123)+CC(C)CC(C)L(25) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1727; RMG #1727 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C6H7(123)<=>C3H5R(12)+C6H8(118) 2.451710e+27 -4.376 7.020 - -! Reaction index: Chemkin #1728; RMG #1728 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H8(118)<=>CR(22)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1729; RMG #1729 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(17) 2.451710e+27 -4.376 6.835 - -! Reaction index: Chemkin #1730; RMG #1730 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C6H7(123)<=>C3H6(18)+C6H8(118) 4.903420e+27 -4.376 6.916 - -! Reaction index: Chemkin #1731; RMG #1731 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C6H7(123)<=>C2H3L(19)+C6H8(118) 2.451710e+27 -4.376 7.020 - -! Reaction index: Chemkin #1732; RMG #1732 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C8H16L(15)<=>C6H8(118)+C8H15L(21) 2.451710e+27 -4.376 6.835 - -! Reaction index: Chemkin #1733; RMG #1733 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(24)+C6H8(118) 2.451710e+27 -4.376 6.835 - -! Reaction index: Chemkin #1734; RMG #1734 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1735; RMG #1735 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(57)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1736; RMG #1736 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C6H7(123)<=>C3H5R(58)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1737; RMG #1737 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H7(123)<=>C3H5L(59)+C6H8(118) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1738; RMG #1738 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H7(123)<=>C4H7R(60)+C6H8(118) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1739; RMG #1739 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C8H16L(15)<=>C6H8(118)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1740; RMG #1740 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(123)+C7H14R(9)<=>C6H8(118)+C7H13R(62) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1741; RMG #1741 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(123)+C6H12L(11)<=>C6H8(118)+C6H11L(63) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1742; RMG #1742 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H8(118), C6H7(123); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(65)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #1743; RMG #1743 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(66)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1744; RMG #1744 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(67)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1745; RMG #1745 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(68)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1746; RMG #1746 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H8(118), C6H7(123); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(69)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #1747; RMG #1747 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(70)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1748; RMG #1748 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(71)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1749; RMG #1749 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H8(118), C6H7(123); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(72)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #1750; RMG #1750 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(73)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1751; RMG #1751 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); CH3(74), C(75); -! From training reaction 1126 used for C/H2/CdCd;C_methyl -! Exact match found for rate rule [C/H2/CdCd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+C6H8(118)<=>C(75)+C6H7(123) 2.120000e-02 4.340 1.700 - -! Reaction index: Chemkin #1752; RMG #1752 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(123), C6H8(118); C5H9L(57), C5H8L(77); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(57)+C6H7(123)<=>C5H8L(77)+C6H8(118) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #1753; RMG #1753 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C5H8L(77), C5H9L(84); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H8(118)<=>C5H9L(84)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1754; RMG #1754 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C3H4R(78), C3H5R(12); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H8(118)<=>C3H5R(12)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1755; RMG #1755 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C3H4R(78), C3H5R(58); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H8(118)<=>C3H5R(58)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1756; RMG #1756 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C4H6R(79), C4H7R(60); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H8(118)<=>C4H7R(60)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1757; RMG #1757 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H8(118)<=>C4H7R(81)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1758; RMG #1758 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C7H15(85)<=>C6H7(123)+CC(C)CC(C)C(87) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1759; RMG #1759 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C5H8L(89), C5H9L(24); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H8(118)<=>C5H9L(24)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1760; RMG #1760 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C5H8L(89), C5H9L(57); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H8(118)<=>C5H9L(57)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1761; RMG #1761 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H7(123), C6H8(118); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C6H11R(56)<=>C6H8(118)+C6H10R(90) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #1762; RMG #1762 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H10R(90)<=>C6H7(123)+C6H11R(98) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1763; RMG #1763 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C[CH]C(94), CCC(95); -! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+C6H8(118)<=>CCC(95)+C6H7(123) 2.320000e-03 4.340 -0.400 - -! Reaction index: Chemkin #1764; RMG #1764 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C3H5(102), C3H6(18); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H5(102)+C6H8(118)<=>C3H6(18)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #1765; RMG #1765 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H10L(103)<=>C6H7(123)+C6H11L(63) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1766; RMG #1766 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H10L(103)<=>C6H7(123)+C6H11L(107) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1767; RMG #1767 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C7H12R(108)<=>C6H7(123)+C7H13R(62) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1768; RMG #1768 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C7H12R(108)<=>C6H7(123)+C7H13R(120) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1769; RMG #1769 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H7(123), C6H8(118); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C8H15L(61)<=>C6H8(118)+C8H14L(112) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #1770; RMG #1770 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C6H8(118), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H9(113)<=>C6H7(123)+C6H10(110) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1771; RMG #1771 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H9(114)<=>C6H7(123)+C6H10(116) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1772; RMG #1772 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H9(114)<=>C6H8(118)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1773; RMG #1773 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C8H16L(15)<=>C6H7(123)+C8H17L(49) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1774; RMG #1774 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C10H20R(64)<=>C6H7(123)+RC10(2) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1775; RMG #1775 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C10H20L(76)<=>C6H7(123)+LC10(3) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1776; RMG #1776 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); H(82), [H][H](83); -! From training reaction 1125 used for C/H2/CdCd;H_rad -! Exact match found for rate rule [C/H2/CdCd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+C6H8(118)<=>[H][H](83)+C6H7(123) 8.940000e-01 4.340 -0.400 - -! Reaction index: Chemkin #1777; RMG #1777 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H3L(19), C5H9LR(124); C[CH]CR(10), C5H9LR(124); -! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C2H3L(19)+C[CH]CR(10)<=>C5H9LR(124) 1.710000e+03 2.410 3.550 - -! Reaction index: Chemkin #1778; RMG #1778 -! Library reaction: restart -! Flux pairs: CH3(74), CC(L)CC(C)CR(37); C5H9LR(124), CC(L)CC(C)CR(37); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C5H9LR(124)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #1779; RMG #1779 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H9(114); C6H8(125), C6H9(114); -! From training reaction 2558 used for Cds-CsH_Cds-CdCs;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CdCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H8(125)<=>C6H9(114) 1.520000e+08 1.640 0.140 - -! Reaction index: Chemkin #1780; RMG #1780 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H9(114)<=>CCCR(27)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1781; RMG #1781 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C6H9(114)<=>CCL(26)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1782; RMG #1782 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C6H9(114)<=>CR(22)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1783; RMG #1783 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C6H9(114)<=>C(75)+C6H8(125) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #1784; RMG #1784 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H9(114)<=>C5H9L(57)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1785; RMG #1785 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H9(114)<=>C5H9L(84)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1786; RMG #1786 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H9(114)<=>C3H5R(12)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1787; RMG #1787 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H9(114)<=>C3H5R(58)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1788; RMG #1788 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H9(114)<=>C4H7R(60)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1789; RMG #1789 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H9(114)<=>C4H7R(81)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1790; RMG #1790 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H9(114)<=>C5H9L(24)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1791; RMG #1791 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H9(114)<=>C5H9L(57)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1792; RMG #1792 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(90)<=>C6H8(125)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1793; RMG #1793 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(90)<=>C6H8(125)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1794; RMG #1794 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C6H9(114)<=>CCC(95)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1795; RMG #1795 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C6H9(114)<=>C3H6(18)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1796; RMG #1796 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(103)<=>C6H8(125)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1797; RMG #1797 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(103)<=>C6H8(125)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1798; RMG #1798 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(108)<=>C6H8(125)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1799; RMG #1799 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(108)<=>C6H8(125)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1800; RMG #1800 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H9(113)<=>C6H8(125)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1801; RMG #1801 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H9(114)<=>C6H8(125)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1802; RMG #1802 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C8H14L(112)<=>C6H8(125)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1803; RMG #1803 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H8(125), C6H7(123); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(65)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #1804; RMG #1804 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H8(125), C6H7(123); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(69)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #1805; RMG #1805 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(66)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1806; RMG #1806 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(68)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1807; RMG #1807 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H8(125), C6H7(123); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(72)<=>C6H7(123)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #1808; RMG #1808 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(73)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1809; RMG #1809 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(71)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1810; RMG #1810 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(67)<=>C6H7(123)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1811; RMG #1811 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C9H17LR(70)<=>C6H7(123)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1812; RMG #1812 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C10H20R(64)<=>C6H7(123)+RC10(2) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1813; RMG #1813 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C10H20L(76)<=>C6H7(123)+LC10(3) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1814; RMG #1814 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C3H4R(78), C3H5R(12); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H8(125)<=>C3H5R(12)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1815; RMG #1815 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H8(125)<=>CC(C)L(13)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1816; RMG #1816 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H8(125)<=>CCCC(C)L(16)+C6H7(123) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1817; RMG #1817 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C3H5(102), C3H6(18); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H5(102)+C6H8(125)<=>C3H6(18)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #1818; RMG #1818 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H8(125)<=>CC(C)CR(20)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1819; RMG #1819 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H8(125)<=>CR(22)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1820; RMG #1820 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C7H14R(9)<=>C6H7(123)+CC(C)CC(C)CR(23) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1821; RMG #1821 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C5H8L(89), C5H9L(24); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H8(125)<=>C5H9L(24)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1822; RMG #1822 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H12L(11)<=>C6H7(123)+CC(C)CC(C)L(25) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1823; RMG #1823 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H8(125)<=>CCL(26)+C6H7(123) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1824; RMG #1824 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H8(125)<=>CCCR(27)+C6H7(123) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1825; RMG #1825 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C[CH]CC(C)CR(5)<=>C6H7(123)+CCCC(C)CR(32) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1826; RMG #1826 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C8H16L(15)<=>C6H7(123)+C8H17L(49) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #1827; RMG #1827 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H7(123), C6H8(125); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C6H11R(56)<=>C6H8(125)+C6H10R(90) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #1828; RMG #1828 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(123), C6H8(125); C5H9L(57), C5H8L(77); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(57)+C6H7(123)<=>C5H8L(77)+C6H8(125) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #1829; RMG #1829 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C5H8L(89), C5H9L(57); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H8(125)<=>C5H9L(57)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1830; RMG #1830 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C3H4R(78), C3H5R(58); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H8(125)<=>C3H5R(58)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1831; RMG #1831 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C4H6R(79), C4H7R(60); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H8(125)<=>C4H7R(60)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1832; RMG #1832 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H7(123), C6H8(125); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C8H15L(61)<=>C6H8(125)+C8H14L(112) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #1833; RMG #1833 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C7H12R(108)<=>C6H7(123)+C7H13R(62) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1834; RMG #1834 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H10L(103)<=>C6H7(123)+C6H11L(63) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1835; RMG #1835 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); CH3(74), C(75); -! From training reaction 1126 used for C/H2/CdCd;C_methyl -! Exact match found for rate rule [C/H2/CdCd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+C6H8(125)<=>C(75)+C6H7(123) 2.120000e-02 4.340 1.700 - -! Reaction index: Chemkin #1836; RMG #1836 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H8(125)<=>C4H7R(81)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1837; RMG #1837 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); H(82), [H][H](83); -! From training reaction 1125 used for C/H2/CdCd;H_rad -! Exact match found for rate rule [C/H2/CdCd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+C6H8(125)<=>[H][H](83)+C6H7(123) 8.940000e-01 4.340 -0.400 - -! Reaction index: Chemkin #1838; RMG #1838 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C5H8L(77), C5H9L(84); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H8(125)<=>C5H9L(84)+C6H7(123) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1839; RMG #1839 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C7H15(85)<=>C6H7(123)+CC(C)CC(C)C(87) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #1840; RMG #1840 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C[CH]C(94), CCC(95); -! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+C6H8(125)<=>CCC(95)+C6H7(123) 2.320000e-03 4.340 -0.400 - -! Reaction index: Chemkin #1841; RMG #1841 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H10R(90)<=>C6H7(123)+C6H11R(98) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1842; RMG #1842 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H10L(103)<=>C6H7(123)+C6H11L(107) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1843; RMG #1843 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C6H8(125), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H9(113)<=>C6H7(123)+C6H10(110) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1844; RMG #1844 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H9(114)<=>C6H7(123)+C6H10(116) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #1845; RMG #1845 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H8(118); C6H7(123), C6H7(123); -! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H7(123)+C6H8(125)<=>C6H7(123)+C6H8(118) 1.564000e-03 4.340 8.900 - -! Reaction index: Chemkin #1846; RMG #1846 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C7H12R(108)<=>C6H7(123)+C7H13R(120) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #1847; RMG #1847 -! Template reaction: R_Recombination -! Flux pairs: H(82), C6H8(125); C6H7(123), C6H8(125); -! Matched reaction 16 C6H7-4 + H <=> C6H8-5 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R] -! family: R_Recombination -H(82)+C6H7(123)<=>C6H8(125) 5.871000e+13 0.158 -0.004 - -! Reaction index: Chemkin #1848; RMG #1848 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(65)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1849; RMG #1849 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(69)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1850; RMG #1850 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(66)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1851; RMG #1851 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(68)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1852; RMG #1852 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(72)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1853; RMG #1853 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(73)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1854; RMG #1854 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(71)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1855; RMG #1855 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(67)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1856; RMG #1856 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H17LR(70)<=>C6H8(125)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1857; RMG #1857 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H20R(64)<=>C6H8(125)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1858; RMG #1858 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H20L(76)<=>C6H8(125)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1859; RMG #1859 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C6H7(123)<=>C3H5R(12)+C6H8(125) 2.451710e+27 -4.376 7.102 - -! Reaction index: Chemkin #1860; RMG #1860 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H9(114)<=>CC(C)L(13)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1861; RMG #1861 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H9(114)<=>CCCC(C)L(16)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1862; RMG #1862 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(125)+C6H11R(17) 2.451710e+27 -4.376 6.915 - -! Reaction index: Chemkin #1863; RMG #1863 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C6H7(123)<=>C3H6(18)+C6H8(125) 4.903420e+27 -4.376 6.997 - -! Reaction index: Chemkin #1864; RMG #1864 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C6H7(123)<=>C2H3L(19)+C6H8(125) 2.451710e+27 -4.376 7.102 - -! Reaction index: Chemkin #1865; RMG #1865 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H9(114)<=>CC(C)CR(20)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1866; RMG #1866 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C8H16L(15)<=>C6H8(125)+C8H15L(21) 2.451710e+27 -4.376 6.915 - -! Reaction index: Chemkin #1867; RMG #1867 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H14R(9)<=>C6H8(125)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1868; RMG #1868 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(24)+C6H8(125) 2.451710e+27 -4.376 6.915 - -! Reaction index: Chemkin #1869; RMG #1869 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H12L(11)<=>C6H8(125)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1870; RMG #1870 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C[CH]CC(C)CR(5)<=>C6H8(125)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1871; RMG #1871 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C[CH]CC(C)CR(5)<=>C6H8(125)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1872; RMG #1872 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CC(C)L(7)+C6H7(123)<=>C5H9L(57)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1873; RMG #1873 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C6H7(123)<=>C3H5R(58)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1874; RMG #1874 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H7(123)<=>C3H5L(59)+C6H8(125) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1875; RMG #1875 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H7(123)<=>C4H7R(60)+C6H8(125) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1876; RMG #1876 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C8H16L(15)<=>C6H8(125)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1877; RMG #1877 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(123)+C7H14R(9)<=>C6H8(125)+C7H13R(62) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1878; RMG #1878 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(123)+C6H12L(11)<=>C6H8(125)+C6H11L(63) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #1879; RMG #1879 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C6H9(114)<=>C(75)+C6H8(125) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #1880; RMG #1880 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C6H9(114)<=>C(75)+C6H8(125) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #1881; RMG #1881 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C6H9(114)<=>[H][H](83)+C6H8(125) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #1882; RMG #1882 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H15(85)<=>C6H8(125)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1883; RMG #1883 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C8H16L(15)<=>C6H8(125)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #1884; RMG #1884 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C6H7(123)+C6H9(114)<=>C6H8(118)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #1885; RMG #1885 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H9(114)<=>C6H8(125)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1886; RMG #1886 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C7H11(126); C6H8(125), C7H11(126); -! From training reaction 94 used for Cds-CsH_Cds-CdCs;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-CdCs;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C6H8(125)<=>C7H11(126) 1.079950e+05 2.652 -2.017 - -! Reaction index: Chemkin #1887; RMG #1887 -! Library reaction: restart -! Flux pairs: C7H11(127), C7H11(126); -! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S -C7H11(127)<=>C7H11(126) 1.572550e+29 -4.713 39.081 - -! Reaction index: Chemkin #1888; RMG #1888 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]CR(10), C8H13LR(128); C5H7L(104), C8H13LR(128); -! From training reaction 293 used for Cds-HH_Cds-CdCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C5H7L(104)<=>C8H13LR(128) 2.180000e+03 2.410 0.340 - -! Reaction index: Chemkin #1889; RMG #1889 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4R(78), C8H11LR(129); C5H7L(104), C8H11LR(129); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H4R(78)+C5H7L(104)<=>C8H11LR(129) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #1890; RMG #1890 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5(102), C7H10L(130); C4H5L(91), C7H10L(130); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5(102)+C4H5L(91)<=>C7H10L(130) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #1891; RMG #1891 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C6H10L(131); C5H7L(104), C6H10L(131); -! From training reaction 291 used for Cds-HH_Cds-CdCs;CsJ-HHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C5H7L(104)<=>C6H10L(131) 2.680000e+04 2.410 2.100 - -! Reaction index: Chemkin #1892; RMG #1892 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H14L(132); C6H9(113), C9H14L(132); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H9(113)<=>C9H14L(132) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1893; RMG #1893 -! Library reaction: restart -! Flux pairs: C3H4R(78), C6H8R2(133); C3H4R(78), C6H8R2(133); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C3H4R(78)+C3H4R(78)<=>C6H8R2(133) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #1894; RMG #1894 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C8H11LR(134); C4H6R(79), C8H11LR(134); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C4H6R(79)<=>C8H11LR(134) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #1895; RMG #1895 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H16L(135); C6H9(113), C11H16L(135); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H9(113)<=>C11H16L(135) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #1896; RMG #1896 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H16L(136); C6H9(113), C11H16L(136); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H9(113)<=>C11H16L(136) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #1897; RMG #1897 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C10H16R(137); C6H9(113), C10H16R(137); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H7R(60)+C6H9(113)<=>C10H16R(137) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1898; RMG #1898 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C5H9LR(138); C3H5R(12), C5H9LR(138); -! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C3H5R(12)<=>C5H9LR(138) 1.710000e+03 2.410 3.550 - -! Reaction index: Chemkin #1899; RMG #1899 -! Library reaction: restart -! Flux pairs: CH3(74), CC(L)CC(C)CR(37); C5H9LR(138), CC(L)CC(C)CR(37); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C5H9LR(138)<=>CC(L)CC(C)CR(37) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #1900; RMG #1900 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C6H10L(139); C3H5(102), C6H10L(139); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C3H5(102)<=>C6H10L(139) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #1901; RMG #1901 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C10H16R(140); C6H9(113), C10H16R(140); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H7R(60)+C6H9(113)<=>C10H16R(140) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1902; RMG #1902 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5(102), C8H12L(141); C5H7L(104), C8H12L(141); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5(102)+C5H7L(104)<=>C8H12L(141) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #1903; RMG #1903 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H6R(79), C9H13LR(142); C5H7L(104), C9H13LR(142); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H6R(79)+C5H7L(104)<=>C9H13LR(142) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #1904; RMG #1904 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C7H11LR(143); C4H6R(79), C7H11LR(143); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C4H6R(79)<=>C7H11LR(143) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1905; RMG #1905 -! Library reaction: restart -! Flux pairs: C6H9LR(99), C6H9LR(144); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-9R!H=8R!H -C6H9LR(99)<=>C6H9LR(144) 9.833340e+10 0.517 17.349 - -! Reaction index: Chemkin #1906; RMG #1906 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C6H9L2(145); C4H5L(91), C6H9L2(145); -! From training reaction 473 used for Cds-CsH_Cds-CdH;CsJ-CsCsH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C4H5L(91)<=>C6H9L2(145) 9.220000e+02 2.410 2.240 - -! Reaction index: Chemkin #1907; RMG #1907 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4R(78), C7H11R2(146); C4H7R(60), C7H11R2(146); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H4R(78)+C4H7R(60)<=>C7H11R2(146) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #1908; RMG #1908 -! Library reaction: restart -! Flux pairs: H(82), C3H5L(59); C3H4L(147), C3H5L(59); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -! Multiplied by reaction path degeneracy 2.0 -H(82)+C3H4L(147)<=>C3H5L(59) 3.251960e+13 0.255 0.000 - -! Reaction index: Chemkin #1909; RMG #1909 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+[CH2]C(C)CR(6)<=>C3H4L(147)+CC(C)CR(20) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1910; RMG #1910 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CR(10), CCCR(27); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C[CH]CR(10)<=>C3H4L(147)+CCCR(27) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1911; RMG #1911 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C[CH]CC(C)CR(5)<=>C3H4L(147)+CCCC(C)CR(32) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1912; RMG #1912 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+[CH2]C(C)L(4)<=>C3H4L(147)+CC(C)L(13) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1913; RMG #1913 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C7H14R(9)<=>C3H4L(147)+CC(C)CC(C)CR(23) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1914; RMG #1914 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C[CH]CC(C)L(7)<=>C3H4L(147)+CCCC(C)L(16) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1915; RMG #1915 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(59), C3H4L(147); C[CH]L(8), CCL(26); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C3H5L(59)<=>CCL(26)+C3H4L(147) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1916; RMG #1916 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C6H12L(11)<=>C3H4L(147)+CC(C)CC(C)L(25) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1917; RMG #1917 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(12); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C[CH]CR(10)<=>C3H5L(59)+C3H5R(12) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #1918; RMG #1918 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(59), C3H4L(147); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C3H5L(59)<=>CR(22)+C3H4L(147) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1919; RMG #1919 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C[CH]CC(C)CR(5)<=>C3H5L(59)+C6H11R(17) 2.451710e+27 -4.376 6.090 - -! Reaction index: Chemkin #1920; RMG #1920 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C3H4L(147)+C[CH]C(94)<=>C3H5L(59)+C3H6(18) 4.903420e+27 -4.376 6.166 - -! Reaction index: Chemkin #1921; RMG #1921 -! Library reaction: restart -! Flux pairs: C3H4L(147), C3H5L(59); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C3H4L(147)<=>C2H3L(19)+C3H5L(59) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #1922; RMG #1922 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C8H16L(15)<=>C3H5L(59)+C8H15L(21) 2.451710e+27 -4.376 6.090 - -! Reaction index: Chemkin #1923; RMG #1923 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C[CH]CC(C)L(7)<=>C3H5L(59)+C5H9L(24) 2.451710e+27 -4.376 6.090 - -! Reaction index: Chemkin #1924; RMG #1924 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C[CH]CC(C)CR(5)<=>C3H5L(59)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1925; RMG #1925 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C[CH]CC(C)L(7)<=>C3H5L(59)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1926; RMG #1926 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C[CH]CR(10)<=>C3H5L(59)+C3H5R(58) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1927; RMG #1927 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(59); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5L(59) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1928; RMG #1928 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+[CH2]C(C)CR(6)<=>C3H5L(59)+C4H7R(60) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1929; RMG #1929 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C8H16L(15)<=>C3H5L(59)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1930; RMG #1930 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+C7H14R(9)<=>C3H5L(59)+C7H13R(62) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1931; RMG #1931 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+C6H12L(11)<=>C3H5L(59)+C6H11L(63) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #1932; RMG #1932 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C10H20R(64)<=>C3H4L(147)+RC10(2) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1933; RMG #1933 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(65)<=>C3H4L(147)+RC10L(1) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #1934; RMG #1934 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(66)<=>C3H4L(147)+RC10L(1) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1935; RMG #1935 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(70)<=>C3H4L(147)+RC10L(1) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1936; RMG #1936 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(71)<=>C3H4L(147)+RC10L(1) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1937; RMG #1937 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C8H16L(15)<=>C3H4L(147)+C8H17L(49) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1938; RMG #1938 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(67)<=>C3H4L(147)+RC10L(1) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1939; RMG #1939 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(68)<=>C3H4L(147)+RC10L(1) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1940; RMG #1940 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(69)<=>C3H4L(147)+RC10L(1) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #1941; RMG #1941 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(72)<=>C3H4L(147)+RC10L(1) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #1942; RMG #1942 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C9H17LR(73)<=>C3H4L(147)+RC10L(1) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1943; RMG #1943 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(59), C3H4L(147); CH3(74), C(75); -! From training reaction 760 used for C/H3/Cd\Cs_Cd\H2;C_methyl -! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C3H5L(59)<=>C(75)+C3H4L(147) 5.940000e-02 4.260 7.550 - -! Reaction index: Chemkin #1944; RMG #1944 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C10H20L(76)<=>C3H4L(147)+LC10(3) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #1945; RMG #1945 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C5H9L(57)<=>C3H5L(59)+C5H8L(77) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #1946; RMG #1946 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C5H9L(84)<=>C3H5L(59)+C5H8L(77) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1947; RMG #1947 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(12), C3H5L(59); C3H4L(147), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C3H5R(12)<=>C3H4R(78)+C3H5L(59) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1948; RMG #1948 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(58), C3H5L(59); C3H4L(147), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C3H5R(58)<=>C3H4R(78)+C3H5L(59) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1949; RMG #1949 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C4H7R(60)<=>C3H5L(59)+C4H6R(79) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1950; RMG #1950 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C3H4L(147)+C4H7R(81)<=>C3H5L(59)+C4H6R(79) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #1951; RMG #1951 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(59), C3H4L(147); H(82), [H][H](83); -! From training reaction 759 used for C/H3/Cd\Cs_Cd\H2;H_rad -! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C3H5L(59)<=>[H][H](83)+C3H4L(147) 2.514000e+03 3.180 4.370 - -! Reaction index: Chemkin #1952; RMG #1952 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C7H15(85)<=>C3H4L(147)+CC(C)CC(C)C(87) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #1953; RMG #1953 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C5H9L(24)<=>C3H5L(59)+C5H8L(89) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1954; RMG #1954 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); C3H4L(147), C3H5L(59); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C5H9L(57)<=>C3H5L(59)+C5H8L(89) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1955; RMG #1955 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C6H11R(56)<=>C3H5L(59)+C6H10R(90) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #1956; RMG #1956 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H11R(98)<=>C3H5L(59)+C6H10R(90) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1957; RMG #1957 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]C(94), CCC(95); C3H5L(59), C3H4L(147); -! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C[CH]C(94)<=>C3H4L(147)+CCC(95) 1.008000e-03 4.340 4.700 - -! Reaction index: Chemkin #1958; RMG #1958 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C3H6(18)<=>C3H5L(59)+C3H5(102) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1959; RMG #1959 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H11L(63)<=>C3H5L(59)+C6H10L(103) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1960; RMG #1960 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C3H4L(147)+C6H11L(107)<=>C3H5L(59)+C6H10L(103) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #1961; RMG #1961 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C7H13R(62)<=>C3H5L(59)+C7H12R(108) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1962; RMG #1962 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C3H4L(147)+C7H13R(120)<=>C3H5L(59)+C7H12R(108) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #1963; RMG #1963 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C8H15L(61)<=>C3H5L(59)+C8H14L(112) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #1964; RMG #1964 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C6H10(110)<=>C3H5L(59)+C6H9(113) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1965; RMG #1965 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H10(116)<=>C3H5L(59)+C6H9(114) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1966; RMG #1966 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C6H9(114)<=>C3H5L(59)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1967; RMG #1967 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H8(118)<=>C3H5L(59)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #1968; RMG #1968 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H8(125)<=>C3H5L(59)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #1969; RMG #1969 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C6H9(114)<=>C3H5L(59)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #1970; RMG #1970 -! Library reaction: restart -! Flux pairs: C7H9LR(100), C7H9LR(148); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R -C7H9LR(100)<=>C7H9LR(148) 2.322560e-20 8.934 1.317 - -! Reaction index: Chemkin #1971; RMG #1971 -! Library reaction: restart -! Flux pairs: C3H4L(147), L[C]1CC1(149); -! Estimated from node Backbone0 -C3H4L(147)<=>L[C]1CC1(149) 1.014560e+05 2.304 29.598 - -! Reaction index: Chemkin #1972; RMG #1972 -! Library reaction: restart -! Flux pairs: C7H9LR(148), C7H9LR(150); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R -C7H9LR(148)<=>C7H9LR(150) 4.825870e+53 -11.671 43.097 - -! Reaction index: Chemkin #1973; RMG #1973 -! Library reaction: restart -! Flux pairs: C7H9LR(100), C7H9LR(151); -! Estimated from node Backbone4_N-Sp-5R!H-2R!H_Sp-2R!H-1R!H_N-3R!H-inRing_6R!H->C_Sp-3R!H-1R!H -C7H9LR(100)<=>C7H9LR(151) 5.228090e+01 2.741 14.849 - -! Reaction index: Chemkin #1974; RMG #1974 -! Library reaction: restart -! Flux pairs: C7H9LR(151), C7H9LR(150); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R -C7H9LR(151)<=>C7H9LR(150) 4.825870e+53 -11.671 45.710 - -! Reaction index: Chemkin #1975; RMG #1975 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4L(147), C7H9L2(152); C4H5L(91), C7H9L2(152); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H4L(147)+C4H5L(91)<=>C7H9L2(152) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #1976; RMG #1976 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5(102), C7H12R(153); C4H7R(60), C7H12R(153); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5(102)+C4H7R(60)<=>C7H12R(153) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #1977; RMG #1977 -! Library reaction: restart -! Flux pairs: C7H9LR(151), C7H9LR(154); -! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-5R!H-R_Ext-7R!H-R_4R!H-inRing -C7H9LR(151)<=>C7H9LR(154) 6.090000e+08 0.695 15.986 - -! Reaction index: Chemkin #1978; RMG #1978 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), CC[C](C)L(155); C3H5L(59), CC[C](C)L(155); -! From training reaction 255 used for Cds-HH_Cds-CsCs;CsJ-HHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C3H5L(59)<=>CC[C](C)L(155) 2.640000e+04 2.410 4.930 - -! Reaction index: Chemkin #1979; RMG #1979 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C7H13R(62); C4H7(156), C7H13R(62); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C4H7(156)<=>C7H13R(62) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1980; RMG #1980 -! Library reaction: restart -! Flux pairs: C[CH]L(8), C6H11L(63); C4H7(156), C6H11L(63); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C4H7(156)<=>C6H11L(63) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #1981; RMG #1981 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(65)<=>C4H7(156)+RC10L(1) 8.640000e-05 4.520 1.460 - -! Reaction index: Chemkin #1982; RMG #1982 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(69)<=>C4H7(156)+RC10L(1) 8.640000e-05 4.520 1.460 - -! Reaction index: Chemkin #1983; RMG #1983 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(66)<=>C4H7(156)+RC10L(1) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #1984; RMG #1984 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(68)<=>C4H7(156)+RC10L(1) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #1985; RMG #1985 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(72)<=>C4H7(156)+RC10L(1) 8.640000e-05 4.520 1.460 - -! Reaction index: Chemkin #1986; RMG #1986 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(73)<=>C4H7(156)+RC10L(1) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1987; RMG #1987 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(71)<=>C4H7(156)+RC10L(1) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1988; RMG #1988 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(67)<=>C4H7(156)+RC10L(1) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #1989; RMG #1989 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C9H17LR(70)<=>C4H7(156)+RC10L(1) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1990; RMG #1990 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C10H20R(64)<=>C4H7(156)+RC10(2) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #1991; RMG #1991 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C10H20L(76)<=>C4H7(156)+LC10(3) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #1992; RMG #1992 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C3H5R(12), C3H4R(78); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H5R(12)+C4H7(156)<=>C3H4R(78)+C4H8(157) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #1993; RMG #1993 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C4H8(157)<=>CC(C)L(13)+C4H7(156) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1994; RMG #1994 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C[CH]CC(C)L(7)<=>C4H7(156)+CCCC(C)L(16) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #1995; RMG #1995 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C3H6(18), C3H5(102); -! Estimated using template [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H6(18)+C4H7(156)<=>C3H5(102)+C4H8(157) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #1996; RMG #1996 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+[CH2]C(C)CR(6)<=>C4H7(156)+CC(C)CR(20) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1997; RMG #1997 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]R(14)+C4H8(157)<=>CR(22)+C4H7(156) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1998; RMG #1998 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C7H14R(9)<=>C4H7(156)+CC(C)CC(C)CR(23) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #1999; RMG #1999 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C5H9L(24)<=>C4H8(157)+C5H8L(89) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2000; RMG #2000 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C6H12L(11)<=>C4H7(156)+CC(C)CC(C)L(25) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #2001; RMG #2001 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); C[CH]L(8), CCL(26); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]L(8)+C4H8(157)<=>CCL(26)+C4H7(156) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #2002; RMG #2002 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); C[CH]CR(10), CCCR(27); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]CR(10)+C4H8(157)<=>CCCR(27)+C4H7(156) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #2003; RMG #2003 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C[CH]CC(C)CR(5)<=>C4H7(156)+CCCC(C)CR(32) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #2004; RMG #2004 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C4H8(157), C4H7(156); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C8H16L(15)<=>C4H7(156)+C8H17L(49) 2.400730e-04 4.665 5.150 - -! Reaction index: Chemkin #2005; RMG #2005 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C6H11R(56)<=>C4H8(157)+C6H10R(90) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2006; RMG #2006 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C5H9L(57)<=>C4H8(157)+C5H8L(77) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2007; RMG #2007 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7(156)+C5H9L(57)<=>C4H8(157)+C5H8L(89) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2008; RMG #2008 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5R(58)+C4H7(156)<=>C3H4R(78)+C4H8(157) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2009; RMG #2009 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C3H5L(59), C3H4L(147); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5L(59)+C4H7(156)<=>C3H4L(147)+C4H8(157) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2010; RMG #2010 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C4H7R(60), C4H6R(79); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7R(60)+C4H7(156)<=>C4H6R(79)+C4H8(157) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2011; RMG #2011 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C8H15L(61)<=>C4H8(157)+C8H14L(112) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2012; RMG #2012 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C7H13R(62)<=>C4H8(157)+C7H12R(108) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2013; RMG #2013 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H11L(63)<=>C4H8(157)+C6H10L(103) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2014; RMG #2014 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); CH3(74), C(75); -! Matched reaction 760 CH3_r3 + C4H8 <=> CH4b + C4H7 in H_Abstraction/training -! This reaction matched rate rule [C_methane;C_rad/H2/Cd\Cs_Cd\H2] -! family: H_Abstraction -CH3(74)+C4H8(157)<=>C(75)+C4H7(156) 1.188000e-01 4.260 7.550 - -! Reaction index: Chemkin #2015; RMG #2015 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C4H7R(81), C4H6R(79); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C4H7R(81)+C4H7(156)<=>C4H6R(79)+C4H8(157) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #2016; RMG #2016 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); H(82), [H][H](83); -! Matched reaction 759 H + C4H8 <=> H2 + C4H7 in H_Abstraction/training -! This reaction matched rate rule [H2;C_rad/H2/Cd\Cs_Cd\H2] -! family: H_Abstraction -H(82)+C4H8(157)<=>[H][H](83)+C4H7(156) 5.028000e+03 3.180 4.370 - -! Reaction index: Chemkin #2017; RMG #2017 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C5H9L(84)<=>C4H8(157)+C5H8L(77) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2018; RMG #2018 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C7H15(85)<=>C4H7(156)+CC(C)CC(C)C(87) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #2019; RMG #2019 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); C[CH]C(94), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C[CH]C(94)+C4H8(157)<=>CCC(95)+C4H7(156) 2.016000e-03 4.340 4.700 - -! Reaction index: Chemkin #2020; RMG #2020 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H11R(98)<=>C4H8(157)+C6H10R(90) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2021; RMG #2021 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C4H7(156)+C6H11L(107)<=>C4H8(157)+C6H10L(103) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #2022; RMG #2022 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7(156)+C6H10(110)<=>C4H8(157)+C6H9(113) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2023; RMG #2023 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C6H9(114)<=>C4H8(157)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2024; RMG #2024 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C6H9(114)<=>C4H8(157)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2025; RMG #2025 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H10(116)<=>C4H8(157)+C6H9(114) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2026; RMG #2026 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H8(118)<=>C4H8(157)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2027; RMG #2027 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C4H7(156)+C7H13R(120)<=>C4H8(157)+C7H12R(108) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #2028; RMG #2028 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H8(125)<=>C4H8(157)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2029; RMG #2029 -! Library reaction: restart -! Flux pairs: H(82), C4H8(157); C4H7(156), C4H8(157); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -! Multiplied by reaction path degeneracy 2.0 -H(82)+C4H7(156)<=>C4H8(157) 3.251960e+13 0.255 0.000 - -! Reaction index: Chemkin #2030; RMG #2030 -! Library reaction: restart -! Flux pairs: C4H7(156), C4H8(157); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C4H7(156)<=>C3H5R(12)+C4H8(157) 2.451710e+27 -4.376 5.972 - -! Reaction index: Chemkin #2031; RMG #2031 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C[CH]CC(C)CR(5)<=>C4H8(157)+C6H11R(17) 2.451710e+27 -4.376 5.805 - -! Reaction index: Chemkin #2032; RMG #2032 -! Library reaction: restart -! Flux pairs: C4H7(156), C4H8(157); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C4H7(156)<=>C3H6(18)+C4H8(157) 4.903420e+27 -4.376 5.879 - -! Reaction index: Chemkin #2033; RMG #2033 -! Library reaction: restart -! Flux pairs: C4H7(156), C4H8(157); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C4H7(156)<=>C2H3L(19)+C4H8(157) 2.451710e+27 -4.376 5.972 - -! Reaction index: Chemkin #2034; RMG #2034 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C8H16L(15)<=>C4H8(157)+C8H15L(21) 2.451710e+27 -4.376 5.805 - -! Reaction index: Chemkin #2035; RMG #2035 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C[CH]CC(C)L(7)<=>C4H8(157)+C5H9L(24) 2.451710e+27 -4.376 5.805 - -! Reaction index: Chemkin #2036; RMG #2036 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C[CH]CC(C)CR(5)<=>C4H8(157)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2037; RMG #2037 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C[CH]CC(C)L(7)<=>C4H8(157)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2038; RMG #2038 -! Library reaction: restart -! Flux pairs: C4H7(156), C4H8(157); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C4H7(156)<=>C3H5R(58)+C4H8(157) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2039; RMG #2039 -! Library reaction: restart -! Flux pairs: C4H7(156), C4H8(157); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C4H7(156)<=>C3H5L(59)+C4H8(157) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #2040; RMG #2040 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H8(157); C4H7(156), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H8(157) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #2041; RMG #2041 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C8H16L(15)<=>C4H8(157)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2042; RMG #2042 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C7H14R(9)<=>C4H8(157)+C7H13R(62) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #2043; RMG #2043 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C6H12L(11)<=>C4H8(157)+C6H11L(63) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #2044; RMG #2044 -! Library reaction: restart -! Flux pairs: C4H7(156), C[C]1CC1(158); -! Estimated from node Backbone0 -C4H7(156)<=>C[C]1CC1(158) 1.014560e+05 2.304 29.056 - -! Reaction index: Chemkin #2045; RMG #2045 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C9H15(159); C6H9(114), C9H15(159); -! From training reaction 242 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+C6H9(114)<=>C9H15(159) 3.860000e+03 2.410 11.370 - -! Reaction index: Chemkin #2046; RMG #2046 -! Library reaction: restart -! Flux pairs: H(82), C6H10(116); C6H9(160), C6H10(116); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO -! Multiplied by reaction path degeneracy 2.0 -H(82)+C6H9(160)<=>C6H10(116) 7.360220e+13 -0.486 0.000 - -! Reaction index: Chemkin #2047; RMG #2047 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H10(116)<=>CC(C)CR(20)+C6H9(160) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2048; RMG #2048 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H10(116)<=>CCCR(27)+C6H9(160) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2049; RMG #2049 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C[CH]CC(C)CR(5)<=>C6H9(160)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2050; RMG #2050 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H10(116)<=>CC(C)L(13)+C6H9(160) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2051; RMG #2051 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H14R(9)<=>C6H9(160)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2052; RMG #2052 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H10(116)<=>CCCC(C)L(16)+C6H9(160) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2053; RMG #2053 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H10(116)<=>CCL(26)+C6H9(160) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2054; RMG #2054 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C6H12L(11)<=>C6H9(160)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2055; RMG #2055 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C6H9(160)<=>C3H5R(12)+C6H10(116) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #2056; RMG #2056 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H10(116)<=>CR(22)+C6H9(160) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2057; RMG #2057 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(17) 2.451710e+27 -4.376 7.433 - -! Reaction index: Chemkin #2058; RMG #2058 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C6H9(160)<=>C3H6(18)+C6H10(116) 4.903420e+27 -4.376 7.519 - -! Reaction index: Chemkin #2059; RMG #2059 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C6H9(160)<=>C2H3L(19)+C6H10(116) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #2060; RMG #2060 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C8H16L(15)<=>C6H10(116)+C8H15L(21) 2.451710e+27 -4.376 7.433 - -! Reaction index: Chemkin #2061; RMG #2061 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)L(7)+C6H9(160)<=>C5H9L(24)+C6H10(116) 2.451710e+27 -4.376 7.433 - -! Reaction index: Chemkin #2062; RMG #2062 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C[CH]CC(C)CR(5)<=>C6H10(116)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2063; RMG #2063 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CC(C)L(7)+C6H9(160)<=>C5H9L(57)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2064; RMG #2064 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C6H9(160)<=>C3H5R(58)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2065; RMG #2065 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H9(160)<=>C3H5L(59)+C6H10(116) 1.051630e+14 -0.550 0.110 - -! Reaction index: Chemkin #2066; RMG #2066 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H9(160)<=>C4H7R(60)+C6H10(116) 1.051630e+14 -0.550 0.110 - -! Reaction index: Chemkin #2067; RMG #2067 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C8H16L(15)<=>C6H10(116)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2068; RMG #2068 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H9(160)+C7H14R(9)<=>C6H10(116)+C7H13R(62) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #2069; RMG #2069 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H9(160)+C6H12L(11)<=>C6H10(116)+C6H11L(63) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #2070; RMG #2070 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H9(160), C6H10(116); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+RC10L(1)<=>C6H10(116)+C9H17LR(65) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #2071; RMG #2071 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(66)<=>C6H9(160)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2072; RMG #2072 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(67)<=>C6H9(160)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2073; RMG #2073 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(68)<=>C6H9(160)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2074; RMG #2074 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H9(160), C6H10(116); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+RC10L(1)<=>C6H10(116)+C9H17LR(69) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #2075; RMG #2075 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(70)<=>C6H9(160)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2076; RMG #2076 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(71)<=>C6H9(160)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2077; RMG #2077 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H9(160), C6H10(116); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+RC10L(1)<=>C6H10(116)+C9H17LR(72) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #2078; RMG #2078 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C9H17LR(73)<=>C6H9(160)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2079; RMG #2079 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C(75)+C6H9(160)<=>CH3(74)+C6H10(116) 8.480000e-02 4.340 24.900 - -! Reaction index: Chemkin #2080; RMG #2080 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(57)+C6H9(160)<=>C5H8L(77)+C6H10(116) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2081; RMG #2081 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H10(116)<=>C5H9L(84)+C6H9(160) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2082; RMG #2082 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H10(116)<=>C3H5R(12)+C6H9(160) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2083; RMG #2083 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H10(116)<=>C3H5R(58)+C6H9(160) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2084; RMG #2084 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H10(116)<=>C4H7R(60)+C6H9(160) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2085; RMG #2085 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H10(116)<=>C4H7R(81)+C6H9(160) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2086; RMG #2086 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. -! Ea raised from 93.1 to 93.1 kJ/mol to match endothermicity of reaction. -[H][H](83)+C6H9(160)<=>H(82)+C6H10(116) 9.160000e-02 4.340 22.252 - -! Reaction index: Chemkin #2087; RMG #2087 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H15(85)<=>C6H9(160)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2088; RMG #2088 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H10(116)<=>C5H9L(24)+C6H9(160) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2089; RMG #2089 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H10(116)<=>C5H9L(57)+C6H9(160) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2090; RMG #2090 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H9(160), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+C6H11R(56)<=>C6H10(116)+C6H10R(90) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2091; RMG #2091 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C6H10R(90)<=>C6H9(160)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2092; RMG #2092 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -CCC(95)+C6H9(160)<=>C[CH]C(94)+C6H10(116) 2.952000e-02 4.340 18.000 - -! Reaction index: Chemkin #2093; RMG #2093 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H6(18)+C6H9(160)<=>C3H5(102)+C6H10(116) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #2094; RMG #2094 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11L(63); C6H10L(103), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H10(116)<=>C6H9(160)+C6H11L(63) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2095; RMG #2095 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11L(107); C6H10L(103), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H10(116)<=>C6H9(160)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2096; RMG #2096 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H12R(108)<=>C6H9(160)+C7H13R(62) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2097; RMG #2097 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C7H12R(108)<=>C6H9(160)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2098; RMG #2098 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H9(160), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+C8H15L(61)<=>C6H10(116)+C8H14L(112) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2099; RMG #2099 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H10(116); C6H9(160), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H9(160)+C6H10(110)<=>C6H9(113)+C6H10(116) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #2100; RMG #2100 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H10(116); C6H9(160), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H9(160)+C6H10(116)<=>C6H9(114)+C6H10(116) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2101; RMG #2101 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H9(160), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H9(114)<=>C6H8(118)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2102; RMG #2102 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C8H16L(15)<=>C6H9(160)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2103; RMG #2103 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C10H20R(64)<=>C6H9(160)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2104; RMG #2104 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C10H20L(76)<=>C6H9(160)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2105; RMG #2105 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(118)+C6H9(160)<=>C6H7(123)+C6H10(116) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #2106; RMG #2106 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(125)+C6H9(160)<=>C6H7(123)+C6H10(116) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #2107; RMG #2107 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(65)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2108; RMG #2108 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(69)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2109; RMG #2109 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(66)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2110; RMG #2110 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(68)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2111; RMG #2111 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(72)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2112; RMG #2112 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(73)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2113; RMG #2113 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(71)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2114; RMG #2114 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(67)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2115; RMG #2115 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H17LR(70)<=>C6H8(125)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2116; RMG #2116 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H20R(64)<=>C6H8(125)+RC10(2) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2117; RMG #2117 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H20L(76)<=>C6H8(125)+LC10(3) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2118; RMG #2118 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4R(78)+C6H9(160)<=>C3H5R(12)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2119; RMG #2119 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]C(C)L(4)+C6H9(160)<=>CC(C)L(13)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2120; RMG #2120 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CC(C)L(7)+C6H9(160)<=>CCCC(C)L(16)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2121; RMG #2121 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C3H5(102)+C6H9(160)<=>C3H6(18)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2122; RMG #2122 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]C(C)CR(6)+C6H9(160)<=>CC(C)CR(20)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2123; RMG #2123 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]R(14)+C6H9(160)<=>CR(22)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2124; RMG #2124 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C7H14R(9)<=>C6H8(125)+CC(C)CC(C)CR(23) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2125; RMG #2125 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H8L(89)+C6H9(160)<=>C5H9L(24)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2126; RMG #2126 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H12L(11)<=>C6H8(125)+CC(C)CC(C)L(25) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2127; RMG #2127 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]L(8)+C6H9(160)<=>CCL(26)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2128; RMG #2128 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C6H9(160)<=>CCCR(27)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2129; RMG #2129 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C[CH]CC(C)CR(5)<=>C6H8(125)+CCCC(C)CR(32) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2130; RMG #2130 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10R(90)<=>C6H8(125)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2131; RMG #2131 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H8L(77)+C6H9(160)<=>C5H9L(57)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2132; RMG #2132 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H8L(89)+C6H9(160)<=>C5H9L(57)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2133; RMG #2133 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4R(78)+C6H9(160)<=>C3H5R(58)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2134; RMG #2134 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C3H4L(147)+C6H9(160)<=>C3H5L(59)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2135; RMG #2135 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(79)+C6H9(160)<=>C4H7R(60)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2136; RMG #2136 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C8H14L(112)<=>C6H8(125)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2137; RMG #2137 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C7H12R(108)<=>C6H8(125)+C7H13R(62) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2138; RMG #2138 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10L(103)<=>C6H8(125)+C6H11L(63) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2139; RMG #2139 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C6H9(160)<=>C(75)+C6H8(125) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #2140; RMG #2140 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 4.0 -CH3(74)+C6H9(160)<=>C(75)+C6H8(125) 1.824940e+13 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #2141; RMG #2141 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(79)+C6H9(160)<=>C4H7R(81)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2142; RMG #2142 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 4.0 -H(82)+C6H9(160)<=>[H][H](83)+C6H8(125) 2.383380e+10 0.568 0.000 - -! Reaction index: Chemkin #2143; RMG #2143 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H8L(77)+C6H9(160)<=>C5H9L(84)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2144; RMG #2144 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C7H15(85)<=>C6H8(125)+CC(C)CC(C)C(87) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2145; RMG #2145 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]C(94)+C6H9(160)<=>CCC(95)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2146; RMG #2146 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10R(90)<=>C6H8(125)+C6H11R(98) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2147; RMG #2147 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10L(103)<=>C6H8(125)+C6H11L(107) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2148; RMG #2148 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H9(113)<=>C6H8(125)+C6H10(110) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2149; RMG #2149 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C6H9(160)+C6H9(114)<=>C6H8(125)+C6H10(116) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2150; RMG #2150 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C6H9(160)+C6H9(160)<=>C6H8(125)+C6H10(116) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2151; RMG #2151 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C7H12R(108)<=>C6H8(125)+C7H13R(120) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2152; RMG #2152 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C8H16L(15)<=>C6H8(125)+C8H17L(49) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2153; RMG #2153 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C6H7(123)+C6H9(160)<=>C6H8(118)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2154; RMG #2154 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C6H7(123)+C6H9(160)<=>C6H8(125)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2155; RMG #2155 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H9(160); C6H8(125), C6H9(160); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H8(125)<=>C6H9(160) 1.650000e+09 1.480 0.900 - -! Reaction index: Chemkin #2156; RMG #2156 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H10(116)<=>C3H5L(59)+C6H9(160) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2157; RMG #2157 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H10(116)<=>C4H8(157)+C6H9(160) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2158; RMG #2158 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C4H7(156)+C6H9(160)<=>C4H8(157)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2159; RMG #2159 -! Library reaction: restart -! Flux pairs: C6H9(161), C6H9(160); -! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S -C6H9(161)<=>C6H9(160) 1.572550e+29 -4.713 38.627 - -! Reaction index: Chemkin #2160; RMG #2160 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4L(147), C8H11L2(162); C5H7L(104), C8H11L2(162); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H4L(147)+C5H7L(104)<=>C8H11L2(162) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #2161; RMG #2161 -! Template reaction: R_Recombination -! Flux pairs: C3H5(102), C6H10(163); C3H5(102), C6H10(163); -! Matched reaction 125 C3H5 + C3H5 <=> C6H10-2 in R_Recombination/training -! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N- -! Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R] -! family: R_Recombination -C3H5(102)+C3H5(102)<=>C6H10(163) 2.040000e+13 0.000 -0.260 - -! Reaction index: Chemkin #2162; RMG #2162 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C8H12L(164); C4H7(156), C8H12L(164); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C4H7(156)<=>C8H12L(164) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #2163; RMG #2163 -! Library reaction: restart -! Flux pairs: C3H4R(78), C6H8R2(165); C3H4R(78), C6H8R2(165); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -C3H4R(78)+C3H4R(78)<=>C6H8R2(165) 1.740640e+13 -0.158 0.000 - -! Reaction index: Chemkin #2164; RMG #2164 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H14L(166); C6H9(161), C9H14L(166); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H9(161)<=>C9H14L(166) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #2165; RMG #2165 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H14L(167); C6H9(161), C10H14L(167); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H9(161)<=>C10H14L(167) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #2166; RMG #2166 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H16L(168); C6H9(161), C11H16L(168); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H9(161)<=>C11H16L(168) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #2167; RMG #2167 -! Library reaction: restart -! Flux pairs: H(82), C6H11L(107); C6H10L(169), C6H11L(107); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -H(82)+C6H10L(169)<=>C6H11L(107) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #2168; RMG #2168 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11L(107)<=>CC(C)CR(20)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2169; RMG #2169 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C6H11L(107)<=>CCCR(27)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2170; RMG #2170 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C[CH]CC(C)CR(5)<=>C6H10L(169)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2171; RMG #2171 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11L(107)<=>CC(C)L(13)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2172; RMG #2172 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C7H14R(9)<=>C6H10L(169)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2173; RMG #2173 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11L(107)<=>CCCC(C)L(16)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2174; RMG #2174 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C6H11L(107)<=>CCL(26)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2175; RMG #2175 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C6H12L(11)<=>C6H10L(169)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2176; RMG #2176 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10L(169)<=>C3H5R(12)+C6H11L(107) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2177; RMG #2177 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C6H11L(107)<=>CR(22)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2178; RMG #2178 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C8H16L(15)<=>C6H10L(169)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2179; RMG #2179 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11L(107); C6H10L(169), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11L(107) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #2180; RMG #2180 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10L(169)<=>C3H6(18)+C6H11L(107) 2.451710e+27 -4.376 7.254 - -! Reaction index: Chemkin #2181; RMG #2181 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10L(169)<=>C2H3L(19)+C6H11L(107) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2182; RMG #2182 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C8H16L(15)<=>C6H11L(107)+C8H15L(21) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #2183; RMG #2183 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(24)+C6H11L(107) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #2184; RMG #2184 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11L(107)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2185; RMG #2185 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(57)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2186; RMG #2186 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10L(169)<=>C3H5R(58)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2187; RMG #2187 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H10L(169)<=>C3H5L(59)+C6H11L(107) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2188; RMG #2188 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H10L(169)<=>C4H7R(60)+C6H11L(107) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2189; RMG #2189 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C8H16L(15)<=>C6H11L(107)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2190; RMG #2190 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(169)+C7H14R(9)<=>C6H11L(107)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2191; RMG #2191 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(107); C6H10L(169), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(169)+C6H12L(11)<=>C6H11L(63)+C6H11L(107) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2192; RMG #2192 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C10H20R(64)<=>C6H10L(169)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2193; RMG #2193 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H11L(107), C6H10L(169); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(65)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #2194; RMG #2194 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(66)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2195; RMG #2195 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(67)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2196; RMG #2196 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(68)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2197; RMG #2197 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H11L(107), C6H10L(169); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(69)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #2198; RMG #2198 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(70)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2199; RMG #2199 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(71)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2200; RMG #2200 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H11L(107), C6H10L(169); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(72)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #2201; RMG #2201 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C9H17LR(73)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2202; RMG #2202 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C6H11L(107)<=>C(75)+C6H10L(169) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #2203; RMG #2203 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C10H20L(76)<=>C6H10L(169)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2204; RMG #2204 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(169), C6H11L(107); C5H9L(57), C5H8L(77); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10L(169)<=>C5H8L(77)+C6H11L(107) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2205; RMG #2205 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H8L(77), C5H9L(84); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C6H11L(107)<=>C5H9L(84)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2206; RMG #2206 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C6H11L(107)<=>C3H5R(12)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2207; RMG #2207 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C6H11L(107)<=>C3H5R(58)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2208; RMG #2208 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C6H11L(107)<=>C4H7R(60)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2209; RMG #2209 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C6H11L(107)<=>C4H7R(81)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2210; RMG #2210 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C7H15(85)<=>C6H10L(169)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2211; RMG #2211 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H8L(89), C5H9L(24); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C6H11L(107)<=>C5H9L(24)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2212; RMG #2212 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H8L(89), C5H9L(57); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C6H11L(107)<=>C5H9L(57)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2213; RMG #2213 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H11L(107); C6H10L(169), C6H10R(90); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(169)+C6H11R(56)<=>C6H10R(90)+C6H11L(107) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2214; RMG #2214 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H11R(98); C6H10R(90), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C6H11L(107)<=>C6H10L(169)+C6H11R(98) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2215; RMG #2215 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C6H11L(107)<=>CCC(95)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2216; RMG #2216 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C6H11L(107)<=>C3H6(18)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2217; RMG #2217 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H11L(63); C6H10L(103), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C6H11L(107)<=>C6H10L(169)+C6H11L(63) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2218; RMG #2218 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H11L(107); C6H10L(103), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C6H11L(107)<=>C6H10L(169)+C6H11L(107) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2219; RMG #2219 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H11L(107), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C7H12R(108)<=>C6H10L(169)+C7H13R(62) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2220; RMG #2220 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C7H12R(108)<=>C6H10L(169)+C7H13R(120) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2221; RMG #2221 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H10L(169), C6H11L(107); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(169)+C8H15L(61)<=>C6H11L(107)+C8H14L(112) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2222; RMG #2222 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H9(113), C6H10(110); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+C6H11L(107)<=>C6H10(110)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2223; RMG #2223 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H9(114), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+C6H11L(107)<=>C6H10(116)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2224; RMG #2224 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(169)<=>C6H8(118)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2225; RMG #2225 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H7(123), C6H8(118); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C6H11L(107)<=>C6H8(118)+C6H10L(169) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #2226; RMG #2226 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H7(123), C6H8(125); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C6H11L(107)<=>C6H8(125)+C6H10L(169) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #2227; RMG #2227 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(169)<=>C6H8(125)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2228; RMG #2228 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10L(169)<=>C6H8(125)+C6H11L(107) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2229; RMG #2229 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C6H11L(107)<=>C3H5L(59)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2230; RMG #2230 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C6H11L(107)<=>C4H8(157)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2231; RMG #2231 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H9(160), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+C6H11L(107)<=>C6H10(116)+C6H10L(169) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2232; RMG #2232 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C6H11L(107)<=>[H][H](83)+C6H10L(169) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #2233; RMG #2233 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4L(147), C6H9L2(170); C3H5L(59), C6H9L2(170); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H4L(147)+C3H5L(59)<=>C6H9L2(170) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #2234; RMG #2234 -! Library reaction: restart -! Flux pairs: H(82), C6H11R(17); C6H10R(171), C6H11R(17); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C6H10R(171)<=>C6H11R(17) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #2235; RMG #2235 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11R(17)<=>CC(C)CR(20)+C6H10R(171) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2236; RMG #2236 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H11R(17)<=>CCCR(27)+C6H10R(171) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2237; RMG #2237 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C[CH]CC(C)CR(5)<=>C6H10R(171)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2238; RMG #2238 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11R(17)<=>CC(C)L(13)+C6H10R(171) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2239; RMG #2239 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C7H14R(9)<=>C6H10R(171)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2240; RMG #2240 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11R(17)<=>CCCC(C)L(16)+C6H10R(171) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2241; RMG #2241 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H11R(17)<=>CCL(26)+C6H10R(171) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2242; RMG #2242 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C6H12L(11)<=>C6H10R(171)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2243; RMG #2243 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10R(171)<=>C3H5R(12)+C6H11R(17) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #2244; RMG #2244 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H11R(17)<=>CR(22)+C6H10R(171) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2245; RMG #2245 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C8H16L(15)<=>C6H10R(171)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2246; RMG #2246 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(17) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #2247; RMG #2247 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10R(171)<=>C3H6(18)+C6H11R(17) 2.451710e+27 -4.376 6.946 - -! Reaction index: Chemkin #2248; RMG #2248 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10R(171)<=>C2H3L(19)+C6H11R(17) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #2249; RMG #2249 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C8H16L(15)<=>C6H11R(17)+C8H15L(21) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #2250; RMG #2250 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(24)+C6H11R(17) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #2251; RMG #2251 -! Library reaction: restart -! Flux pairs: H(82), C6H11R(56); C6H10R(171), C6H11R(56); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C6H10R(171)<=>C6H11R(56) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #2252; RMG #2252 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11R(56)<=>CC(C)CR(20)+C6H10R(171) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2253; RMG #2253 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C[CH]CR(10), CCCR(27); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C6H11R(56)<=>CCCR(27)+C6H10R(171) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2254; RMG #2254 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C[CH]CC(C)CR(5)<=>C6H10R(171)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2255; RMG #2255 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11R(56)<=>CC(C)L(13)+C6H10R(171) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2256; RMG #2256 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11R(56)<=>CCCC(C)L(16)+C6H10R(171) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2257; RMG #2257 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C[CH]L(8), CCL(26); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C6H11R(56)<=>CCL(26)+C6H10R(171) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2258; RMG #2258 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C6H12L(11)<=>C6H10R(171)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2259; RMG #2259 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10R(171)<=>C3H5R(12)+C6H11R(56) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2260; RMG #2260 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C6H11R(56)<=>CR(22)+C6H10R(171) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2261; RMG #2261 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(56) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #2262; RMG #2262 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11R(56) 1.225850e+27 -4.376 6.090 -DUPLICATE - -! Reaction index: Chemkin #2263; RMG #2263 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10R(171)<=>C3H6(18)+C6H11R(56) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #2264; RMG #2264 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10R(171)<=>C2H3L(19)+C6H11R(56) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2265; RMG #2265 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C8H16L(15)<=>C6H11R(56)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #2266; RMG #2266 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(24)+C6H11R(56) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #2267; RMG #2267 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H11R(56)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2268; RMG #2268 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(57)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2269; RMG #2269 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10R(171)<=>C3H5R(58)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2270; RMG #2270 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10R(171)<=>C5H9L(57)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2271; RMG #2271 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10R(171)<=>C3H5R(58)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2272; RMG #2272 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H10R(171)<=>C3H5L(59)+C6H11R(17) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2273; RMG #2273 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H10R(171)<=>C3H5L(59)+C6H11R(56) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2274; RMG #2274 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H10R(171)<=>C4H7R(60)+C6H11R(17) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2275; RMG #2275 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H10R(171)<=>C4H7R(60)+C6H11R(56) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2276; RMG #2276 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C7H14R(9)<=>C6H11R(17)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2277; RMG #2277 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11R(17); C6H10R(171), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C6H12L(11)<=>C6H11L(63)+C6H11R(17) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2278; RMG #2278 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C10H20R(64)<=>C6H10R(171)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2279; RMG #2279 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C8H16L(15)<=>C6H11R(17)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2280; RMG #2280 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H10R(171), C6H11R(17); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+RC10L(1)<=>C6H11R(17)+C9H17LR(65) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #2281; RMG #2281 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C8H16L(15)<=>C6H11R(56)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2282; RMG #2282 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C7H14R(9)<=>C6H11R(56)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2283; RMG #2283 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11R(56); C6H10R(171), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C6H12L(11)<=>C6H11L(63)+C6H11R(56) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2284; RMG #2284 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C7H14R(9)<=>C6H10R(171)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2285; RMG #2285 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C8H16L(15)<=>C6H10R(171)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2286; RMG #2286 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C10H20R(64)<=>C6H10R(171)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2287; RMG #2287 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H10R(171), C6H11R(56); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+RC10L(1)<=>C6H11R(56)+C9H17LR(65) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #2288; RMG #2288 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(66)<=>C6H10R(171)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2289; RMG #2289 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(67)<=>C6H10R(171)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2290; RMG #2290 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(68)<=>C6H10R(171)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2291; RMG #2291 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H10R(171), C6H11R(56); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+RC10L(1)<=>C6H11R(56)+C9H17LR(69) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #2292; RMG #2292 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(70)<=>C6H10R(171)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2293; RMG #2293 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(71)<=>C6H10R(171)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2294; RMG #2294 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H10R(171), C6H11R(56); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+RC10L(1)<=>C6H11R(56)+C9H17LR(72) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #2295; RMG #2295 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C9H17LR(66)<=>C6H10R(171)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2296; RMG #2296 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C9H17LR(67)<=>C6H10R(171)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2297; RMG #2297 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C9H17LR(68)<=>C6H10R(171)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2298; RMG #2298 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H10R(171), C6H11R(17); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+RC10L(1)<=>C6H11R(17)+C9H17LR(69) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #2299; RMG #2299 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C9H17LR(70)<=>C6H10R(171)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2300; RMG #2300 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C9H17LR(71)<=>C6H10R(171)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2301; RMG #2301 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H10R(171), C6H11R(17); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+RC10L(1)<=>C6H11R(17)+C9H17LR(72) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #2302; RMG #2302 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C9H17LR(73)<=>C6H10R(171)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2303; RMG #2303 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C9H17LR(73)<=>C6H10R(171)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2304; RMG #2304 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H10R(171)<=>CH3(74)+C6H11R(17) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #2305; RMG #2305 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); CH3(74), C(75); -! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C6H11R(56)<=>C(75)+C6H10R(171) 7.200000e-02 4.250 7.530 - -! Reaction index: Chemkin #2306; RMG #2306 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C10H20L(76)<=>C6H10R(171)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2307; RMG #2307 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C10H20L(76)<=>C6H10R(171)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2308; RMG #2308 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10R(171)<=>C5H8L(77)+C6H11R(17) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2309; RMG #2309 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H11R(17)<=>C5H9L(84)+C6H10R(171) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2310; RMG #2310 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(57), C5H8L(77); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H10R(171)<=>C5H8L(77)+C6H11R(56) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2311; RMG #2311 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C6H10R(171)<=>C5H8L(77)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2312; RMG #2312 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H11R(17)<=>C3H5R(12)+C6H10R(171) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2313; RMG #2313 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H11R(17)<=>C3H5R(58)+C6H10R(171) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2314; RMG #2314 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C6H10R(171)<=>C3H4R(78)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2315; RMG #2315 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+C6H10R(171)<=>C3H4R(78)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2316; RMG #2316 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H11R(17)<=>C4H7R(60)+C6H10R(171) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2317; RMG #2317 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H11R(17)<=>C4H7R(81)+C6H10R(171) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2318; RMG #2318 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C6H10R(171)<=>C4H6R(79)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2319; RMG #2319 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C6H10R(171)<=>C4H6R(79)+C6H11R(56) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2320; RMG #2320 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); H(82), [H][H](83); -! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C6H11R(56)<=>[H][H](83)+C6H10R(171) 3.360000e+03 3.140 4.290 - -! Reaction index: Chemkin #2321; RMG #2321 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[H][H](83)+C6H10R(171)<=>H(82)+C6H11R(17) 4.580000e-02 4.340 22.200 - -! Reaction index: Chemkin #2322; RMG #2322 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C7H15(85)<=>C6H10R(171)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2323; RMG #2323 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H11R(56)+C7H15(85)<=>C6H10R(171)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2324; RMG #2324 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C6H10R(171)<=>C5H8L(89)+C6H11R(17) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2325; RMG #2325 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H11R(17)<=>C5H9L(57)+C6H10R(171) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2326; RMG #2326 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C6H10R(171)<=>C5H8L(89)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2327; RMG #2327 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L(57)+C6H10R(171)<=>C5H8L(89)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2328; RMG #2328 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H11R(17); C6H10R(171), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C6H11R(56)<=>C6H10R(90)+C6H11R(17) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2329; RMG #2329 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H11R(98); C6H10R(90), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C6H11R(17)<=>C6H10R(171)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2330; RMG #2330 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H11R(56); C6H10R(171), C6H10R(90); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C6H11R(56)<=>C6H10R(90)+C6H11R(56) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2331; RMG #2331 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H11R(56); C6H10R(171), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H11R(98)<=>C6H10R(90)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2332; RMG #2332 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H10R(171)<=>C[CH]C(94)+C6H11R(17) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #2333; RMG #2333 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); CCC(95), C[CH]C(94); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H10R(171)<=>C[CH]C(94)+C6H11R(56) 2.920000e-02 4.340 16.600 - -! Reaction index: Chemkin #2334; RMG #2334 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H10R(171)<=>C3H5(102)+C6H11R(17) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2335; RMG #2335 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C3H6(18), C3H5(102); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H10R(171)<=>C3H5(102)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2336; RMG #2336 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H11R(17); C6H10R(171), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H11L(63)<=>C6H10L(103)+C6H11R(17) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2337; RMG #2337 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H11L(107); C6H10L(103), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C6H11R(17)<=>C6H10R(171)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2338; RMG #2338 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H11R(56); C6H10R(171), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H11L(63)<=>C6H10L(103)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2339; RMG #2339 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H11R(56); C6H10R(171), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H10R(171)+C6H11L(107)<=>C6H10L(103)+C6H11R(56) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2340; RMG #2340 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C6H10R(171), C6H11R(17); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C7H13R(62)<=>C6H11R(17)+C7H12R(108) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2341; RMG #2341 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(17)+C7H12R(108)<=>C6H10R(171)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2342; RMG #2342 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C7H13R(62)<=>C6H11R(56)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2343; RMG #2343 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H10R(171)+C7H13R(120)<=>C6H11R(56)+C7H12R(108) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2344; RMG #2344 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H10R(171), C6H11R(17); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C8H15L(61)<=>C6H11R(17)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2345; RMG #2345 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H10R(171), C6H11R(56); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C8H15L(61)<=>C6H11R(56)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2346; RMG #2346 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C6H10R(171)<=>C6H9(113)+C6H11R(17) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2347; RMG #2347 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C6H10R(171)<=>C6H9(113)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2348; RMG #2348 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11R(17); C6H10R(171), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H10(116)<=>C6H9(114)+C6H11R(17) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2349; RMG #2349 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11R(56); C6H10R(171), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H10(116)<=>C6H9(114)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2350; RMG #2350 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(171)<=>C6H8(118)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2351; RMG #2351 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(171)<=>C6H8(118)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2352; RMG #2352 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H10R(171)<=>C6H7(123)+C6H11R(17) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2353; RMG #2353 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H10R(171)<=>C6H7(123)+C6H11R(17) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2354; RMG #2354 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H8(118), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H10R(171)<=>C6H7(123)+C6H11R(56) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2355; RMG #2355 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H8(125), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H10R(171)<=>C6H7(123)+C6H11R(56) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2356; RMG #2356 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(171)<=>C6H8(125)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2357; RMG #2357 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10R(171)<=>C6H8(125)+C6H11R(17) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2358; RMG #2358 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(171)<=>C6H8(125)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2359; RMG #2359 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10R(171)<=>C6H8(125)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2360; RMG #2360 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H11R(17)<=>C3H5L(59)+C6H10R(171) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2361; RMG #2361 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C3H4L(147), C3H5L(59); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C6H11R(56)<=>C3H5L(59)+C6H10R(171) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2362; RMG #2362 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H11R(17)<=>C4H8(157)+C6H10R(171) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2363; RMG #2363 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7(156)+C6H11R(56)<=>C4H8(157)+C6H10R(171) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2364; RMG #2364 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11R(17); C6H10R(171), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H10(116)<=>C6H9(160)+C6H11R(17) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #2365; RMG #2365 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H11R(56); C6H10R(171), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H10(116)<=>C6H9(160)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2366; RMG #2366 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H11R(17); C6H10R(171), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C6H11L(107)<=>C6H10L(169)+C6H11R(17) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2367; RMG #2367 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H11R(56); C6H10R(171), C6H10L(169); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C6H11L(107)<=>C6H10L(169)+C6H11R(56) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2368; RMG #2368 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H11R(56); C6H10R(171), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C6H11R(17)<=>C6H10R(171)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #2369; RMG #2369 -! Library reaction: restart -! Flux pairs: C7H11LR(143), C7H11LR(172); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-9R!H=8R!H -C7H11LR(143)<=>C7H11LR(172) 9.833340e+10 0.517 17.705 - -! Reaction index: Chemkin #2370; RMG #2370 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]R(14), C6H10R(171); C5H8(173), C6H10R(171); -! From training reaction 472 used for Cds-CsH_Cds-CdH;CsJ-CsHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -[CH2]R(14)+C5H8(173)<=>C6H10R(171) 1.150000e+03 2.410 3.430 - -! Reaction index: Chemkin #2371; RMG #2371 -! Library reaction: restart -! Flux pairs: H(82), C5H8(173); C5H7(174), C5H8(173); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -! Multiplied by reaction path degeneracy 2.0 -H(82)+C5H7(174)<=>C5H8(173) 3.251960e+13 0.255 0.000 - -! Reaction index: Chemkin #2372; RMG #2372 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H8(173)<=>CC(C)CR(20)+C5H7(174) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2373; RMG #2373 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C5H8(173)<=>CCCR(27)+C5H7(174) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2374; RMG #2374 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C[CH]CC(C)CR(5)<=>C5H7(174)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2375; RMG #2375 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H8(173)<=>CC(C)L(13)+C5H7(174) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2376; RMG #2376 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C7H14R(9)<=>C5H7(174)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2377; RMG #2377 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C[CH]CC(C)L(7)<=>C5H7(174)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2378; RMG #2378 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C5H8(173)<=>CCL(26)+C5H7(174) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2379; RMG #2379 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H12L(11)<=>C5H7(174)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2380; RMG #2380 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C5H7(174)<=>C3H5R(12)+C5H8(173) 2.451710e+27 -4.376 8.206 - -! Reaction index: Chemkin #2381; RMG #2381 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C5H8(173)<=>CR(22)+C5H7(174) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2382; RMG #2382 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C[CH]CC(C)CR(5)<=>C5H8(173)+C6H11R(17) 2.451710e+27 -4.376 8.002 - -! Reaction index: Chemkin #2383; RMG #2383 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C5H7(174)<=>C3H6(18)+C5H8(173) 4.903420e+27 -4.376 8.092 - -! Reaction index: Chemkin #2384; RMG #2384 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C5H7(174)<=>C2H3L(19)+C5H8(173) 2.451710e+27 -4.376 8.206 - -! Reaction index: Chemkin #2385; RMG #2385 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C8H16L(15)<=>C5H8(173)+C8H15L(21) 2.451710e+27 -4.376 8.002 - -! Reaction index: Chemkin #2386; RMG #2386 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C[CH]CC(C)L(7)<=>C5H8(173)+C5H9L(24) 2.451710e+27 -4.376 8.002 - -! Reaction index: Chemkin #2387; RMG #2387 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C[CH]CC(C)CR(5)<=>C5H8(173)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2388; RMG #2388 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C[CH]CC(C)L(7)<=>C5H8(173)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2389; RMG #2389 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C5H7(174)<=>C3H5R(58)+C5H8(173) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2390; RMG #2390 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C5H7(174)<=>C3H5L(59)+C5H8(173) 1.566000e+12 0.000 0.211 - -! Reaction index: Chemkin #2391; RMG #2391 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C5H7(174)<=>C4H7R(60)+C5H8(173) 1.566000e+12 0.000 0.211 - -! Reaction index: Chemkin #2392; RMG #2392 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C8H16L(15)<=>C5H8(173)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2393; RMG #2393 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C7H14R(9)<=>C5H8(173)+C7H13R(62) 1.566000e+12 0.000 0.172 - -! Reaction index: Chemkin #2394; RMG #2394 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H12L(11)<=>C5H8(173)+C6H11L(63) 1.566000e+12 0.000 0.172 - -! Reaction index: Chemkin #2395; RMG #2395 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C5H7(174), C5H8(173); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+RC10L(1)<=>C5H8(173)+C9H17LR(65) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #2396; RMG #2396 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C9H17LR(66)<=>C5H7(174)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2397; RMG #2397 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C9H17LR(67)<=>C5H7(174)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2398; RMG #2398 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C9H17LR(68)<=>C5H7(174)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2399; RMG #2399 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C5H7(174), C5H8(173); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+RC10L(1)<=>C5H8(173)+C9H17LR(69) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #2400; RMG #2400 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C9H17LR(70)<=>C5H7(174)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2401; RMG #2401 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C9H17LR(71)<=>C5H7(174)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2402; RMG #2402 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C5H7(174), C5H8(173); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+RC10L(1)<=>C5H8(173)+C9H17LR(72) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #2403; RMG #2403 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C9H17LR(73)<=>C5H7(174)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2404; RMG #2404 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(174), C5H8(173); C(75), CH3(74); -! From training reaction 829 used for C_methane;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C_methane;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C(75)+C5H7(174)<=>CH3(74)+C5H8(173) 1.120000e-01 4.340 25.080 - -! Reaction index: Chemkin #2405; RMG #2405 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C5H9L(57)<=>C5H8(173)+C5H8L(77) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2406; RMG #2406 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C5H8L(77)<=>C5H7(174)+C5H9L(84) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2407; RMG #2407 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C5H8(173)<=>C3H5R(12)+C5H7(174) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2408; RMG #2408 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C5H8(173)<=>C3H5R(58)+C5H7(174) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2409; RMG #2409 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C5H8(173)<=>C4H7R(60)+C5H7(174) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2410; RMG #2410 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C5H8(173)<=>C4H7R(81)+C5H7(174) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2411; RMG #2411 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C7H15(85)<=>C5H7(174)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2412; RMG #2412 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C5H8L(89)<=>C5H7(174)+C5H9L(24) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2413; RMG #2413 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C5H8L(89)<=>C5H7(174)+C5H9L(57) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2414; RMG #2414 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C6H11R(56)<=>C5H8(173)+C6H10R(90) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2415; RMG #2415 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H10R(90)<=>C5H7(174)+C6H11R(98) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2416; RMG #2416 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(174), C5H8(173); CCC(95), C[CH]C(94); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -CCC(95)+C5H7(174)<=>C[CH]C(94)+C5H8(173) 5.840000e-02 4.340 18.555 - -! Reaction index: Chemkin #2417; RMG #2417 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(174), C5H8(173); C3H6(18), C3H5(102); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H6(18)+C5H7(174)<=>C3H5(102)+C5H8(173) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2418; RMG #2418 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H10L(103)<=>C5H7(174)+C6H11L(63) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2419; RMG #2419 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H10L(103)<=>C5H7(174)+C6H11L(107) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2420; RMG #2420 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C7H12R(108)<=>C5H7(174)+C7H13R(62) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2421; RMG #2421 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C7H12R(108)<=>C5H7(174)+C7H13R(120) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2422; RMG #2422 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C8H15L(61)<=>C5H8(173)+C8H14L(112) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2423; RMG #2423 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C5H7(174), C5H8(173); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H7(174)+C6H10(110)<=>C5H8(173)+C6H9(113) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2424; RMG #2424 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H9(114)<=>C5H7(174)+C6H10(116) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2425; RMG #2425 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C6H9(114)<=>C5H8(173)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2426; RMG #2426 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C5H7(174), C5H8(173); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(174)+C6H8(118)<=>C5H8(173)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2427; RMG #2427 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C5H7(174), C5H8(173); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(174)+C6H8(125)<=>C5H8(173)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2428; RMG #2428 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C6H9(114)<=>C5H8(173)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2429; RMG #2429 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(174)+C6H9(160)<=>C5H8(173)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2430; RMG #2430 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C5H8(173)<=>C3H5L(59)+C5H7(174) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2431; RMG #2431 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7(156)+C5H8(173)<=>C4H8(157)+C5H7(174) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #2432; RMG #2432 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H8(173)+C6H9(160)<=>C5H7(174)+C6H10(116) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #2433; RMG #2433 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C6H11L(107)<=>C5H8(173)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2434; RMG #2434 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H10R(171)<=>C5H7(174)+C6H11R(17) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #2435; RMG #2435 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H10R(171)<=>C5H7(174)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #2436; RMG #2436 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C10H20R(64)<=>C5H7(174)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2437; RMG #2437 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C10H20L(76)<=>C5H7(174)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2438; RMG #2438 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C8H16L(15)<=>C5H7(174)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #2439; RMG #2439 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(174), C5H8(173); [H][H](83), H(82); -! From training reaction 789 used for H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -! Ea raised from 101.3 to 102.4 kJ/mol to match endothermicity of reaction. -! Ea raised from 102.4 to 102.4 kJ/mol to match endothermicity of reaction. -[H][H](83)+C5H7(174)<=>H(82)+C5H8(173) 1.212000e-01 4.340 24.463 - -! Reaction index: Chemkin #2440; RMG #2440 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C9H12L(175); C5H7(174), C9H12L(175); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C5H7(174)<=>C9H12L(175) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #2441; RMG #2441 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C8H12L(176); C5H7(174), C8H12L(176); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C5H7(174)<=>C8H12L(176) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #2442; RMG #2442 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C9H14R(177); C5H7(174), C9H14R(177); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H7R(60)+C5H7(174)<=>C9H14R(177) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #2443; RMG #2443 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C5H7(174), C5H7(178); -! Matched reaction 141 C5H7-3 <=> C5H7-4 in Intra_R_Add_Endocyclic/training -! This reaction matched rate rule [Backbone2_Sp-3R!H=1R!H_N-4R!H->S] -! family: Intra_R_Add_Endocyclic -C5H7(174)<=>C5H7(178) 1.026760e+11 0.557 37.541 - -! Reaction index: Chemkin #2444; RMG #2444 -! Library reaction: restart -! Flux pairs: C5H7(174), C10H14(179); C5H7(178), C10H14(179); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C5H7(178)<=>C10H14(179) 7.071720e+16 -1.003 0.000 - -! Reaction index: Chemkin #2445; RMG #2445 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C5H7(178), C5H8(180); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+RC10L(1)<=>C5H8(180)+C9H17LR(65) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #2446; RMG #2446 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C5H7(178), C5H8(180); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+RC10L(1)<=>C5H8(180)+C9H17LR(69) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #2447; RMG #2447 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C9H17LR(66)<=>C5H7(178)+RC10L(1) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2448; RMG #2448 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C9H17LR(68)<=>C5H7(178)+RC10L(1) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2449; RMG #2449 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C5H7(178), C5H8(180); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+RC10L(1)<=>C5H8(180)+C9H17LR(72) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #2450; RMG #2450 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C9H17LR(73)<=>C5H7(178)+RC10L(1) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2451; RMG #2451 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C9H17LR(71)<=>C5H7(178)+RC10L(1) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2452; RMG #2452 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C9H17LR(67)<=>C5H7(178)+RC10L(1) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2453; RMG #2453 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C9H17LR(70)<=>C5H7(178)+RC10L(1) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2454; RMG #2454 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C10H20R(64)<=>C5H7(178)+RC10(2) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2455; RMG #2455 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C10H20L(76)<=>C5H7(178)+LC10(3) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2456; RMG #2456 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4R(78)+C5H8(180)<=>C3H5R(12)+C5H7(178) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2457; RMG #2457 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H8(180)<=>CC(C)L(13)+C5H7(178) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2458; RMG #2458 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C[CH]CC(C)L(7)<=>C5H7(178)+CCCC(C)L(16) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2459; RMG #2459 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H10R(171)<=>C5H7(178)+C6H11R(17) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2460; RMG #2460 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(178), C5H8(180); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H6(18)+C5H7(178)<=>C3H5(102)+C5H8(180) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #2461; RMG #2461 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H8(180)<=>CC(C)CR(20)+C5H7(178) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2462; RMG #2462 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]R(14)+C5H8(180)<=>CR(22)+C5H7(178) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2463; RMG #2463 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C7H14R(9)<=>C5H7(178)+CC(C)CC(C)CR(23) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2464; RMG #2464 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C5H8L(89)<=>C5H7(178)+C5H9L(24) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2465; RMG #2465 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H12L(11)<=>C5H7(178)+CC(C)CC(C)L(25) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2466; RMG #2466 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C[CH]L(8)+C5H8(180)<=>CCL(26)+C5H7(178) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2467; RMG #2467 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C[CH]CR(10)+C5H8(180)<=>CCCR(27)+C5H7(178) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2468; RMG #2468 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C[CH]CC(C)CR(5)<=>C5H7(178)+CCCC(C)CR(32) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2469; RMG #2469 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C8H16L(15)<=>C5H7(178)+C8H17L(49) 3.412000e-03 4.340 3.100 - -! Reaction index: Chemkin #2470; RMG #2470 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C6H11R(56)<=>C5H8(180)+C6H10R(90) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2471; RMG #2471 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H10R(171)<=>C5H7(178)+C6H11R(56) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2472; RMG #2472 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C5H9L(57)<=>C5H8(180)+C5H8L(77) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2473; RMG #2473 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C5H8L(89)<=>C5H7(178)+C5H9L(57) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2474; RMG #2474 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4R(78)+C5H8(180)<=>C3H5R(58)+C5H7(178) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2475; RMG #2475 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C3H4L(147)+C5H8(180)<=>C3H5L(59)+C5H7(178) 3.616000e-02 4.340 11.200 - -! Reaction index: Chemkin #2476; RMG #2476 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(79)+C5H8(180)<=>C4H7R(60)+C5H7(178) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2477; RMG #2477 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C8H15L(61)<=>C5H8(180)+C8H14L(112) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2478; RMG #2478 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C7H12R(108)<=>C5H7(178)+C7H13R(62) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2479; RMG #2479 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H10L(103)<=>C5H7(178)+C6H11L(63) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2480; RMG #2480 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(178), C5H8(180); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C(75)+C5H7(178)<=>CH3(74)+C5H8(180) 8.480000e-02 4.340 24.900 - -! Reaction index: Chemkin #2481; RMG #2481 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(79)+C5H8(180)<=>C4H7R(81)+C5H7(178) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2482; RMG #2482 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(178), C5H8(180); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. -! Ea raised from 93.1 to 93.1 kJ/mol to match endothermicity of reaction. -[H][H](83)+C5H7(178)<=>H(82)+C5H8(180) 9.160000e-02 4.340 22.252 - -! Reaction index: Chemkin #2483; RMG #2483 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C5H8L(77)<=>C5H7(178)+C5H9L(84) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2484; RMG #2484 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C7H15(85)<=>C5H7(178)+CC(C)CC(C)C(87) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2485; RMG #2485 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(178), C5H8(180); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -CCC(95)+C5H7(178)<=>C[CH]C(94)+C5H8(180) 2.952000e-02 4.340 18.000 - -! Reaction index: Chemkin #2486; RMG #2486 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H10R(90)<=>C5H7(178)+C6H11R(98) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2487; RMG #2487 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C6H11L(107)<=>C5H8(180)+C6H10L(169) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2488; RMG #2488 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H10L(103)<=>C5H7(178)+C6H11L(107) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2489; RMG #2489 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C5H7(178), C5H8(180); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H7(178)+C6H10(110)<=>C5H8(180)+C6H9(113) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #2490; RMG #2490 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C5H8(180)+C6H9(160)<=>C5H7(178)+C6H10(116) 1.832000e-02 4.340 11.700 - -! Reaction index: Chemkin #2491; RMG #2491 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C6H9(114)<=>C5H7(178)+C6H10(116) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #2492; RMG #2492 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C5H7(178), C5H8(180); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+C6H8(118)<=>C5H8(180)+C6H7(123) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #2493; RMG #2493 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C7H12R(108)<=>C5H7(178)+C7H13R(120) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #2494; RMG #2494 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C5H7(178), C5H8(180); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+C6H8(125)<=>C5H8(180)+C6H7(123) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #2495; RMG #2495 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C4H7(156)+C5H8(180)<=>C4H8(157)+C5H7(178) 3.616000e-02 4.340 11.200 - -! Reaction index: Chemkin #2496; RMG #2496 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H8(180); C5H7(178), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H7(178)+C5H8(173)<=>C5H7(174)+C5H8(180) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #2497; RMG #2497 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C5H7(178)<=>C3H5R(58)+C5H8(180) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2498; RMG #2498 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C5H7(178)<=>C3H5R(12)+C5H8(180) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #2499; RMG #2499 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C5H7(178)<=>C2H3L(19)+C5H8(180) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #2500; RMG #2500 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H9(114)<=>C5H8(180)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2501; RMG #2501 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H9(114)<=>C5H8(180)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2502; RMG #2502 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(178)+C6H9(160)<=>C5H8(180)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2503; RMG #2503 -! Library reaction: restart -! Flux pairs: H(82), C5H8(180); C5H7(178), C5H8(180); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C5H7(178)<=>C5H8(180) 3.152860e+13 -0.222 0.000 - -! Reaction index: Chemkin #2504; RMG #2504 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C[CH]CC(C)CR(5)<=>C5H8(180)+C6H11R(17) 2.451710e+27 -4.376 7.433 - -! Reaction index: Chemkin #2505; RMG #2505 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C5H7(178)<=>C3H6(18)+C5H8(180) 4.903420e+27 -4.376 7.519 - -! Reaction index: Chemkin #2506; RMG #2506 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C8H16L(15)<=>C5H8(180)+C8H15L(21) 2.451710e+27 -4.376 7.433 - -! Reaction index: Chemkin #2507; RMG #2507 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C[CH]CC(C)L(7)<=>C5H8(180)+C5H9L(24) 2.451710e+27 -4.376 7.433 - -! Reaction index: Chemkin #2508; RMG #2508 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C[CH]CC(C)CR(5)<=>C5H8(180)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2509; RMG #2509 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C[CH]CC(C)L(7)<=>C5H8(180)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2510; RMG #2510 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C5H7(178)<=>C3H5L(59)+C5H8(180) 1.051630e+14 -0.550 0.110 - -! Reaction index: Chemkin #2511; RMG #2511 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C5H7(178)<=>C4H7R(60)+C5H8(180) 1.051630e+14 -0.550 0.110 - -! Reaction index: Chemkin #2512; RMG #2512 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C8H16L(15)<=>C5H8(180)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2513; RMG #2513 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C7H14R(9)<=>C5H8(180)+C7H13R(62) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #2514; RMG #2514 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C6H12L(11)<=>C5H8(180)+C6H11L(63) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #2515; RMG #2515 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C11H17(181); C6H10(110), C11H17(181); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7(174)+C6H10(110)<=>C11H17(181) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #2516; RMG #2516 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C10H14L(182); C5H7(174), C10H14L(182); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7L(104)+C5H7(174)<=>C10H14L(182) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #2517; RMG #2517 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C10H15(183); C5H8(173), C10H15(183); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7(174)+C5H8(173)<=>C10H15(183) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #2518; RMG #2518 -! Library reaction: restart -! Flux pairs: C5H7(174), C10H14(184); C5H7(174), C10H14(184); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C5H7(174)<=>C10H14(184) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #2519; RMG #2519 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C10H15(183); C10H14(184), C10H15(183); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -H(82)+C10H14(184)<=>C10H15(183) 4.620000e+08 1.640 -0.470 - -! Reaction index: Chemkin #2520; RMG #2520 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #2521; RMG #2521 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #2522; RMG #2522 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2523; RMG #2523 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2524; RMG #2524 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #2525; RMG #2525 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2526; RMG #2526 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2527; RMG #2527 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2528; RMG #2528 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C10H15(183)<=>RC10L(1)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2529; RMG #2529 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C10H15(183), C10H14(184); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H15(183)+C10H20R(64)<=>C10H14(184)+RC10(2) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2530; RMG #2530 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C10H15(183), C10H14(184); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H15(183)+C10H20L(76)<=>C10H14(184)+LC10(3) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2531; RMG #2531 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C10H15(183)<=>C3H5R(12)+C10H14(184) 1.225850e+27 -4.376 9.219 - -! Reaction index: Chemkin #2532; RMG #2532 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C10H15(183)<=>CC(C)L(13)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2533; RMG #2533 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C10H15(183)<=>CCCC(C)L(16)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2534; RMG #2534 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C10H15(183)<=>C6H11R(17)+C10H14(184) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #2535; RMG #2535 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C10H15(183)<=>C3H6(18)+C10H14(184) 2.451710e+27 -4.376 8.460 - -! Reaction index: Chemkin #2536; RMG #2536 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C10H15(183)<=>CC(C)CR(20)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2537; RMG #2537 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C10H15(183)<=>CR(22)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2538; RMG #2538 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C10H15(183)<=>CC(C)CC(C)CR(23)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2539; RMG #2539 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C10H15(183)<=>C5H9L(24)+C10H14(184) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #2540; RMG #2540 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C10H15(183)<=>CC(C)CC(C)L(25)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2541; RMG #2541 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C10H15(183)<=>CCL(26)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2542; RMG #2542 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C10H15(183)<=>CCCR(27)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2543; RMG #2543 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C10H15(183)<=>CCCC(C)CR(32)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2544; RMG #2544 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H15(183)<=>C6H11R(56)+C10H14(184) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #2545; RMG #2545 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C10H15(183)<=>C6H11R(56)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #2546; RMG #2546 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H15(183)<=>C5H9L(57)+C10H14(184) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #2547; RMG #2547 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C10H15(183)<=>C5H9L(57)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #2548; RMG #2548 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C10H15(183)<=>C3H5R(58)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #2549; RMG #2549 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C10H15(183)<=>C3H5L(59)+C10H14(184) 2.451710e+27 -4.376 8.429 - -! Reaction index: Chemkin #2550; RMG #2550 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C10H15(183)<=>C4H7R(60)+C10H14(184) 1.225850e+27 -4.376 9.219 - -! Reaction index: Chemkin #2551; RMG #2551 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C10H15(183)<=>C8H15L(61)+C10H14(184) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #2552; RMG #2552 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C10H15(183)<=>C7H13R(62)+C10H14(184) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #2553; RMG #2553 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C10H15(183)<=>C6H11L(63)+C10H14(184) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #2554; RMG #2554 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C10H15(183)<=>C(75)+C10H14(184) 1.225850e+27 -4.376 4.703 - -! Reaction index: Chemkin #2555; RMG #2555 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C10H15(183)<=>C4H7R(81)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #2556; RMG #2556 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C10H15(183)<=>[H][H](83)+C10H14(184) 1.225850e+27 -4.376 4.864 - -! Reaction index: Chemkin #2557; RMG #2557 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H15(183)<=>C5H9L(84)+C10H14(184) 1.225850e+27 -4.376 9.358 - -! Reaction index: Chemkin #2558; RMG #2558 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C10H15(183)<=>CC(C)CC(C)C(87)+C10H14(184) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #2559; RMG #2559 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C10H15(183)<=>CCC(95)+C10H14(184) 1.225850e+27 -4.376 5.985 - -! Reaction index: Chemkin #2560; RMG #2560 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H15(183)<=>C6H11R(98)+C10H14(184) 1.225850e+27 -4.376 9.358 - -! Reaction index: Chemkin #2561; RMG #2561 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C10H15(183)<=>C6H11L(107)+C10H14(184) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #2562; RMG #2562 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C10H15(183)<=>C6H11L(107)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #2563; RMG #2563 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C10H15(183)<=>C6H10(110)+C10H14(184) 1.225850e+27 -4.376 10.849 - -! Reaction index: Chemkin #2564; RMG #2564 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C10H15(183)<=>C6H10(116)+C10H14(184) 2.451710e+27 -4.376 10.059 - -! Reaction index: Chemkin #2565; RMG #2565 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C10H15(183)<=>C6H10(116)+C10H14(184) 1.225850e+27 -4.376 10.059 - -! Reaction index: Chemkin #2566; RMG #2566 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C10H15(183)<=>C6H8(118)+C10H14(184) 2.451710e+27 -4.376 9.335 - -! Reaction index: Chemkin #2567; RMG #2567 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C10H15(183)<=>C7H13R(120)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #2568; RMG #2568 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C10H15(183)<=>C6H8(125)+C10H14(184) 2.451710e+27 -4.376 9.433 - -! Reaction index: Chemkin #2569; RMG #2569 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C10H15(183)<=>C4H8(157)+C10H14(184) 2.451710e+27 -4.376 8.079 - -! Reaction index: Chemkin #2570; RMG #2570 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C10H15(183)<=>C5H8(173)+C10H14(184) 2.451710e+27 -4.376 10.743 - -! Reaction index: Chemkin #2571; RMG #2571 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C10H15(183)<=>C5H8(180)+C10H14(184) 2.451710e+27 -4.376 10.059 - -! Reaction index: Chemkin #2572; RMG #2572 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C10H15(183)<=>C8H17L(49)+C10H14(184) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #2573; RMG #2573 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C9H12L(185); C5H7(174), C9H12L(185); -! From training reaction 475 used for Cds-CsH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C5H7(174)<=>C9H12L(185) 2.380000e+04 2.410 10.290 - -! Reaction index: Chemkin #2574; RMG #2574 -! Library reaction: restart -! Flux pairs: C5H7(178), C10H14(186); C5H7(178), C10H14(186); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C5H7(178)<=>C10H14(186) 1.000000e+14 -0.000 0.000 - -! Reaction index: Chemkin #2575; RMG #2575 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C5H7(178); C5H6(187), C5H7(178); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -H(82)+C5H6(187)<=>C5H7(178) 3.300000e+09 1.480 0.900 - -! Reaction index: Chemkin #2576; RMG #2576 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C5H7(178)<=>CCCR(27)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2577; RMG #2577 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]L(8)+C5H7(178)<=>CCL(26)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2578; RMG #2578 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C5H8L(77)<=>C5H6(187)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2579; RMG #2579 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C5H8L(77)<=>C5H6(187)+C5H9L(84) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2580; RMG #2580 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4R(78)+C5H7(178)<=>C3H5R(12)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2581; RMG #2581 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4R(78)+C5H7(178)<=>C3H5R(58)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2582; RMG #2582 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(79)+C5H7(178)<=>C4H7R(60)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2583; RMG #2583 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(79)+C5H7(178)<=>C4H7R(81)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2584; RMG #2584 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10R(90)<=>C5H6(187)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2585; RMG #2585 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10R(90)<=>C5H6(187)+C6H11R(98) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2586; RMG #2586 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C3H5(102)+C5H7(178)<=>C3H6(18)+C5H6(187) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2587; RMG #2587 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H9(113)<=>C5H6(187)+C6H10(110) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2588; RMG #2588 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H9(114)<=>C5H6(187)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2589; RMG #2589 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(178)+C6H7(123)<=>C5H6(187)+C6H8(118) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2590; RMG #2590 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(178)+C6H7(123)<=>C5H6(187)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2591; RMG #2591 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C3H4L(147)+C5H7(178)<=>C3H5L(59)+C5H6(187) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2592; RMG #2592 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C4H7(156)+C5H7(178)<=>C4H8(157)+C5H6(187) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2593; RMG #2593 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(178)+C6H9(160)<=>C5H6(187)+C6H10(116) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2594; RMG #2594 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(173); C5H7(174), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(174)+C5H7(178)<=>C5H6(187)+C5H8(173) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2595; RMG #2595 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C5H7(178)+C5H7(178)<=>C5H6(187)+C5H8(180) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #2596; RMG #2596 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C5H8L(89)<=>C5H6(187)+C5H9L(24) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2597; RMG #2597 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C5H8L(89)<=>C5H6(187)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2598; RMG #2598 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10L(103)<=>C5H6(187)+C6H11L(63) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2599; RMG #2599 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10L(103)<=>C5H6(187)+C6H11L(107) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2600; RMG #2600 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C7H12R(108)<=>C5H6(187)+C7H13R(62) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2601; RMG #2601 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C7H12R(108)<=>C5H6(187)+C7H13R(120) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2602; RMG #2602 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10L(169)<=>C5H6(187)+C6H11L(107) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2603; RMG #2603 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(65)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2604; RMG #2604 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(69)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2605; RMG #2605 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(66)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2606; RMG #2606 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(68)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2607; RMG #2607 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(72)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2608; RMG #2608 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(73)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2609; RMG #2609 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(71)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2610; RMG #2610 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(67)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2611; RMG #2611 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H17LR(70)<=>C5H6(187)+RC10L(1) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2612; RMG #2612 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C10H20R(64)<=>C5H6(187)+RC10(2) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2613; RMG #2613 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C10H20L(76)<=>C5H6(187)+LC10(3) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2614; RMG #2614 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]C(C)L(4)+C5H7(178)<=>CC(C)L(13)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2615; RMG #2615 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C[CH]CC(C)L(7)<=>C5H6(187)+CCCC(C)L(16) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2616; RMG #2616 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10R(171)<=>C5H6(187)+C6H11R(17) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2617; RMG #2617 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]C(C)CR(6)+C5H7(178)<=>CC(C)CR(20)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2618; RMG #2618 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]R(14)+C5H7(178)<=>CR(22)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2619; RMG #2619 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C7H14R(9)<=>C5H6(187)+CC(C)CC(C)CR(23) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2620; RMG #2620 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H12L(11)<=>C5H6(187)+CC(C)CC(C)L(25) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2621; RMG #2621 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C[CH]CC(C)CR(5)<=>C5H6(187)+CCCC(C)CR(32) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2622; RMG #2622 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C8H16L(15)<=>C5H6(187)+C8H17L(49) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2623; RMG #2623 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10R(171)<=>C5H6(187)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2624; RMG #2624 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C8H14L(112)<=>C5H6(187)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2625; RMG #2625 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C5H7(178)<=>C(75)+C5H6(187) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #2626; RMG #2626 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 4.0 -CH3(74)+C5H7(178)<=>C(75)+C5H6(187) 1.824940e+13 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #2627; RMG #2627 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 4.0 -H(82)+C5H7(178)<=>[H][H](83)+C5H6(187) 2.383380e+10 0.568 0.000 - -! Reaction index: Chemkin #2628; RMG #2628 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C7H15(85)<=>C5H6(187)+CC(C)CC(C)C(87) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2629; RMG #2629 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]C(94)+C5H7(178)<=>CCC(95)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2630; RMG #2630 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C11H18L(188); C6H11L(63), C11H18L(188); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7(174)+C6H11L(63)<=>C11H18L(188) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #2631; RMG #2631 -! Template reaction: R_Recombination -! Flux pairs: H(82), C5H6(187); C5H5(189), C5H6(187); -! Matched reaction 134 C5H5 + H <=> C5H6 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H] -! family: R_Recombination -H(82)+C5H5(189)<=>C5H6(187) 2.500000e+15 0.000 0.000 - -! Reaction index: Chemkin #2632; RMG #2632 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C5H6(187)<=>CC(C)CR(20)+C5H5(189) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2633; RMG #2633 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C5H6(187)<=>CCCR(27)+C5H5(189) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2634; RMG #2634 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C5H6(187)<=>CC(C)L(13)+C5H5(189) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2635; RMG #2635 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C5H6(187)<=>CCL(26)+C5H5(189) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2636; RMG #2636 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H12L(11)<=>C5H5(189)+CC(C)CC(C)L(25) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2637; RMG #2637 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C[CH]CR(10)+C5H5(189)<=>C3H5R(12)+C5H6(187) 6.129270e+27 -4.376 7.003 - -! Reaction index: Chemkin #2638; RMG #2638 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C5H6(187)<=>CR(22)+C5H5(189) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2639; RMG #2639 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C[CH]CC(C)CR(5)<=>C5H6(187)+C6H11R(17) 6.129270e+27 -4.376 6.818 - -! Reaction index: Chemkin #2640; RMG #2640 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 30.0 -C[CH]C(94)+C5H5(189)<=>C3H6(18)+C5H6(187) 1.225850e+28 -4.376 6.900 - -! Reaction index: Chemkin #2641; RMG #2641 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C[CH]L(8)+C5H5(189)<=>C2H3L(19)+C5H6(187) 6.129270e+27 -4.376 7.003 - -! Reaction index: Chemkin #2642; RMG #2642 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C8H16L(15)<=>C5H6(187)+C8H15L(21) 6.129270e+27 -4.376 6.818 - -! Reaction index: Chemkin #2643; RMG #2643 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C[CH]CC(C)L(7)<=>C5H6(187)+C5H9L(24) 6.129270e+27 -4.376 6.818 - -! Reaction index: Chemkin #2644; RMG #2644 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C[CH]CC(C)CR(5)<=>C5H6(187)+C6H11R(56) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2645; RMG #2645 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C[CH]CC(C)L(7)<=>C5H6(187)+C5H9L(57) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2646; RMG #2646 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C[CH]CR(10)+C5H5(189)<=>C3H5R(58)+C5H6(187) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2647; RMG #2647 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -[CH2]C(C)L(4)+C5H5(189)<=>C3H5L(59)+C5H6(187) 2.629070e+14 -0.550 0.000 - -! Reaction index: Chemkin #2648; RMG #2648 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -[CH2]C(C)CR(6)+C5H5(189)<=>C4H7R(60)+C5H6(187) 2.629070e+14 -0.550 0.000 - -! Reaction index: Chemkin #2649; RMG #2649 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C8H16L(15)<=>C5H6(187)+C8H15L(61) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2650; RMG #2650 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -C5H5(189)+C7H14R(9)<=>C5H6(187)+C7H13R(62) 2.629070e+14 -0.550 0.000 - -! Reaction index: Chemkin #2651; RMG #2651 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -C5H5(189)+C6H12L(11)<=>C5H6(187)+C6H11L(63) 2.629070e+14 -0.550 0.000 - -! Reaction index: Chemkin #2652; RMG #2652 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(67)<=>C5H5(189)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2653; RMG #2653 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); CH3(74), C(75); -! From training reaction 1126 used for C/H2/CdCd;C_methyl -! Exact match found for rate rule [C/H2/CdCd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+C5H6(187)<=>C(75)+C5H5(189) 2.120000e-02 4.340 1.700 - -! Reaction index: Chemkin #2654; RMG #2654 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C5H9L(57)<=>C5H6(187)+C5H8L(77) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #2655; RMG #2655 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C5H8L(77)<=>C5H5(189)+C5H9L(84) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2656; RMG #2656 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C3H4R(78), C3H5R(12); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C5H6(187)<=>C3H5R(12)+C5H5(189) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2657; RMG #2657 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C3H4R(78), C3H5R(58); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C5H6(187)<=>C3H5R(58)+C5H5(189) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2658; RMG #2658 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C4H6R(79), C4H7R(60); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C5H6(187)<=>C4H7R(60)+C5H5(189) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2659; RMG #2659 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C5H6(187)<=>C4H7R(81)+C5H5(189) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2660; RMG #2660 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C5H8L(89)<=>C5H5(189)+C5H9L(24) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2661; RMG #2661 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C5H6(187), C5H5(189); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C5H8L(89)<=>C5H5(189)+C5H9L(57) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2662; RMG #2662 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C6H11R(56)<=>C5H6(187)+C6H10R(90) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #2663; RMG #2663 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H10R(90)<=>C5H5(189)+C6H11R(98) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2664; RMG #2664 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C[CH]C(94), CCC(95); -! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+C5H6(187)<=>CCC(95)+C5H5(189) 2.320000e-03 4.340 -0.400 - -! Reaction index: Chemkin #2665; RMG #2665 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C3H5(102), C3H6(18); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H5(102)+C5H6(187)<=>C3H6(18)+C5H5(189) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2666; RMG #2666 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H10L(103)<=>C5H5(189)+C6H11L(63) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2667; RMG #2667 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H10L(103)<=>C5H5(189)+C6H11L(107) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2668; RMG #2668 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C7H12R(108)<=>C5H5(189)+C7H13R(62) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2669; RMG #2669 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C7H12R(108)<=>C5H5(189)+C7H13R(120) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2670; RMG #2670 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C5H6(187), C5H5(189); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H9(113)<=>C5H5(189)+C6H10(110) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2671; RMG #2671 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H9(114)<=>C5H5(189)+C6H10(116) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2672; RMG #2672 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C6H9(114)<=>C5H6(187)+C6H8(118) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2673; RMG #2673 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C6H9(114)<=>C5H6(187)+C6H8(125) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2674; RMG #2674 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 20.0 -C5H5(189)+C6H9(160)<=>C5H6(187)+C6H8(125) 1.547940e+13 0.025 0.000 - -! Reaction index: Chemkin #2675; RMG #2675 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C5H6(187)<=>C3H5L(59)+C5H5(189) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2676; RMG #2676 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C5H6(187)<=>C4H8(157)+C5H5(189) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2677; RMG #2677 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H6(187)+C6H9(160)<=>C5H5(189)+C6H10(116) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #2678; RMG #2678 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C6H11L(107)<=>C5H6(187)+C6H10L(169) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #2679; RMG #2679 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H10R(171)<=>C5H5(189)+C6H11R(17) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #2680; RMG #2680 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C5H6(187), C5H5(189); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H10R(171)<=>C5H5(189)+C6H11R(56) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #2681; RMG #2681 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(174), C5H8(173); C5H6(187), C5H5(189); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H6(187)+C5H7(174)<=>C5H5(189)+C5H8(173) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #2682; RMG #2682 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(178), C5H8(180); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H6(187)+C5H7(178)<=>C5H5(189)+C5H8(180) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #2683; RMG #2683 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C10H15(183)<=>C5H6(187)+C10H14(184) 6.129270e+27 -4.376 9.315 - -! Reaction index: Chemkin #2684; RMG #2684 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 20.0 -C5H5(189)+C5H7(178)<=>C5H6(187)+C5H6(187) 1.547940e+13 0.025 0.000 - -! Reaction index: Chemkin #2685; RMG #2685 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C[CH]CC(C)CR(5)<=>C5H5(189)+CCCC(C)CR(32) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2686; RMG #2686 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C7H14R(9)<=>C5H5(189)+CC(C)CC(C)CR(23) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2687; RMG #2687 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C[CH]CC(C)L(7)<=>C5H5(189)+CCCC(C)L(16) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2688; RMG #2688 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C5H6(187), C5H5(189); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(65)<=>C5H5(189)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #2689; RMG #2689 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(66)<=>C5H5(189)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2690; RMG #2690 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(68)<=>C5H5(189)+RC10L(1) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2691; RMG #2691 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C5H6(187), C5H5(189); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(69)<=>C5H5(189)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #2692; RMG #2692 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(70)<=>C5H5(189)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2693; RMG #2693 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(71)<=>C5H5(189)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2694; RMG #2694 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C5H6(187), C5H5(189); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(72)<=>C5H5(189)+RC10L(1) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #2695; RMG #2695 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C9H17LR(73)<=>C5H5(189)+RC10L(1) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2696; RMG #2696 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C7H15(85)<=>C5H5(189)+CC(C)CC(C)C(87) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2697; RMG #2697 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C8H15L(61)<=>C5H6(187)+C8H14L(112) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #2698; RMG #2698 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(123), C6H8(118); C5H6(187), C5H5(189); -! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H6(187)+C6H7(123)<=>C5H5(189)+C6H8(118) 1.564000e-03 4.340 8.900 - -! Reaction index: Chemkin #2699; RMG #2699 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(123), C6H8(125); C5H6(187), C5H5(189); -! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H6(187)+C6H7(123)<=>C5H5(189)+C6H8(125) 1.564000e-03 4.340 8.900 - -! Reaction index: Chemkin #2700; RMG #2700 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C10H20R(64)<=>C5H5(189)+RC10(2) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2701; RMG #2701 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C10H20L(76)<=>C5H5(189)+LC10(3) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2702; RMG #2702 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C8H16L(15)<=>C5H5(189)+C8H17L(49) 8.355200e-04 4.260 5.620 - -! Reaction index: Chemkin #2703; RMG #2703 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); H(82), [H][H](83); -! From training reaction 1125 used for C/H2/CdCd;H_rad -! Exact match found for rate rule [C/H2/CdCd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+C5H6(187)<=>[H][H](83)+C5H5(189) 8.940000e-01 4.340 -0.400 - -! Reaction index: Chemkin #2704; RMG #2704 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7(156), C9H14L(190); C5H7L(104), C9H14L(190); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H7(156)+C5H7L(104)<=>C9H14L(190) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #2705; RMG #2705 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C8H13(191); C5H7(174), C8H13(191); -! From training reaction 4 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H6(18)+C5H7(174)<=>C8H13(191) 1.560000e+03 2.530 11.000 - -! Reaction index: Chemkin #2706; RMG #2706 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C12H20R(192); C7H13R(62), C12H20R(192); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7(174)+C7H13R(62)<=>C12H20R(192) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #2707; RMG #2707 -! Library reaction: restart -! Flux pairs: CH3(74), C8H15L(61); C7H12L(193), C8H15L(61); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C7H12L(193)<=>C8H15L(61) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #2708; RMG #2708 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C7H12L(193); C5H8(173), C7H12L(193); -! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C5H8(173)<=>C7H12L(193) 1.920000e+03 2.410 0.760 - -! Reaction index: Chemkin #2709; RMG #2709 -! Library reaction: restart -! Flux pairs: C3H5(102), C8H12(194); C5H7(174), C8H12(194); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C5H7(174)<=>C8H12(194) 1.392520e+14 -0.158 0.000 - -! Reaction index: Chemkin #2710; RMG #2710 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C8H13(191); C8H12(194), C8H13(191); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C8H12(194)<=>C8H13(191) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #2711; RMG #2711 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(65)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #2712; RMG #2712 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(69)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #2713; RMG #2713 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(66)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2714; RMG #2714 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(68)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2715; RMG #2715 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(72)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #2716; RMG #2716 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(73)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2717; RMG #2717 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(71)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2718; RMG #2718 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(67)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2719; RMG #2719 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C9H17LR(70)<=>C8H12(194)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2720; RMG #2720 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C10H20R(64)<=>C8H12(194)+RC10(2) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2721; RMG #2721 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C10H20L(76)<=>C8H12(194)+LC10(3) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2722; RMG #2722 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C8H13(191)<=>CC(C)L(13)+C8H12(194) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2723; RMG #2723 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C8H13(191)<=>C3H6(18)+C8H12(194) 2.451710e+27 -4.376 6.289 - -! Reaction index: Chemkin #2724; RMG #2724 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C8H13(191)<=>CC(C)CR(20)+C8H12(194) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2725; RMG #2725 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C8H13(191)<=>CC(C)CC(C)L(25)+C8H12(194) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2726; RMG #2726 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C8H13(191)<=>CCL(26)+C8H12(194) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2727; RMG #2727 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C8H13(191)<=>CCCR(27)+C8H12(194) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2728; RMG #2728 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C8H13(191)<=>C6H11R(56)+C8H12(194) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2729; RMG #2729 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C8H13(191)<=>C6H11R(56)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2730; RMG #2730 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C8H13(191)<=>C5H9L(57)+C8H12(194) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2731; RMG #2731 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C8H13(191)<=>C5H9L(57)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2732; RMG #2732 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C8H13(191)<=>C3H5R(58)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2733; RMG #2733 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C8H13(191)<=>C3H5L(59)+C8H12(194) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #2734; RMG #2734 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C8H13(191)<=>C4H7R(60)+C8H12(194) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #2735; RMG #2735 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C8H13(191)<=>C3H5R(12)+C8H12(194) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #2736; RMG #2736 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C8H13(191)<=>CCCC(C)L(16)+C8H12(194) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2737; RMG #2737 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C8H13(191)<=>C6H11R(17)+C8H12(194) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #2738; RMG #2738 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C8H13(191)<=>CR(22)+C8H12(194) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2739; RMG #2739 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C8H13(191)<=>CC(C)CC(C)CR(23)+C8H12(194) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2740; RMG #2740 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C8H13(191)<=>C5H9L(24)+C8H12(194) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #2741; RMG #2741 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C8H13(191)<=>CCCC(C)CR(32)+C8H12(194) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2742; RMG #2742 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C8H16L(15)<=>C8H12(194)+C8H17L(49) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #2743; RMG #2743 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C8H14L(112)<=>C8H12(194)+C8H15L(61) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2744; RMG #2744 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C8H13(191)<=>C7H13R(62)+C8H12(194) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #2745; RMG #2745 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C8H13(191)<=>C6H11L(63)+C8H12(194) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #2746; RMG #2746 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C8H13(191)<=>C(75)+C8H12(194) 1.225850e+27 -4.376 3.228 - -! Reaction index: Chemkin #2747; RMG #2747 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C8H13(191)<=>C4H7R(81)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2748; RMG #2748 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C8H13(191)<=>[H][H](83)+C8H12(194) 1.225850e+27 -4.376 3.356 - -! Reaction index: Chemkin #2749; RMG #2749 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C8H13(191)<=>C5H9L(84)+C8H12(194) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #2750; RMG #2750 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C8H13(191)<=>CC(C)CC(C)C(87)+C8H12(194) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #2751; RMG #2751 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C8H13(191)<=>CCC(95)+C8H12(194) 1.225850e+27 -4.376 4.256 - -! Reaction index: Chemkin #2752; RMG #2752 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C8H13(191)<=>C6H11R(98)+C8H12(194) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #2753; RMG #2753 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C8H13(191)<=>C6H11L(107)+C8H12(194) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2754; RMG #2754 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C8H13(191)<=>C6H11L(107)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2755; RMG #2755 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C8H13(191)<=>C6H10(110)+C8H12(194) 1.225850e+27 -4.376 8.296 - -! Reaction index: Chemkin #2756; RMG #2756 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C8H13(191)<=>C6H10(116)+C8H12(194) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #2757; RMG #2757 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C8H13(191)<=>C6H10(116)+C8H12(194) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #2758; RMG #2758 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C8H13(191)<=>C6H8(118)+C8H12(194) 2.451710e+27 -4.376 7.020 - -! Reaction index: Chemkin #2759; RMG #2759 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C8H13(191)<=>C7H13R(120)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #2760; RMG #2760 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C8H13(191)<=>C6H8(125)+C8H12(194) 2.451710e+27 -4.376 7.102 - -! Reaction index: Chemkin #2761; RMG #2761 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C8H13(191)<=>C4H8(157)+C8H12(194) 2.451710e+27 -4.376 5.972 - -! Reaction index: Chemkin #2762; RMG #2762 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C8H13(191)<=>C5H8(173)+C8H12(194) 2.451710e+27 -4.376 8.206 - -! Reaction index: Chemkin #2763; RMG #2763 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C8H13(191)<=>C5H8(180)+C8H12(194) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #2764; RMG #2764 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C8H13(191)<=>C5H6(187)+C8H12(194) 6.129270e+27 -4.376 7.003 - -! Reaction index: Chemkin #2765; RMG #2765 -! Library reaction: restart -! Flux pairs: C[CH]L(8), CCCC(C)L(16); [CH2]CC(195), CCCC(C)L(16); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+[CH2]CC(195)<=>CCCC(C)L(16) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #2766; RMG #2766 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(65)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2767; RMG #2767 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(69)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2768; RMG #2768 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(66)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2769; RMG #2769 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(68)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2770; RMG #2770 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(72)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2771; RMG #2771 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(73)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2772; RMG #2772 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(71)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2773; RMG #2773 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(67)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2774; RMG #2774 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H17LR(70)<=>C3H6(18)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2775; RMG #2775 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H20R(64)<=>C3H6(18)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2776; RMG #2776 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H20L(76)<=>C3H6(18)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2777; RMG #2777 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C3H6(18); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+[CH2]CC(195)<=>C3H5R(12)+C3H6(18) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2778; RMG #2778 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CC(C)L(13); [CH2]C(C)L(4), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+[CH2]CC(195)<=>C3H6(18)+CC(C)L(13) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2779; RMG #2779 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C[CH]CC(C)L(7)<=>C3H6(18)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2780; RMG #2780 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10R(171)<=>C3H6(18)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2781; RMG #2781 -! Template reaction: Disproportionation -! Flux pairs: [CH2]CC(195), C3H6(18); C3H5(102), C3H6(18); -! Matched reaction 23 C3H5 + C3H7-2 <=> C3H6 + C3H6-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C] -! family: Disproportionation -C3H5(102)+[CH2]CC(195)<=>C3H6(18)+C3H6(18) 5.800000e+12 0.000 -0.130 - -! Reaction index: Chemkin #2782; RMG #2782 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+[CH2]C(C)CR(6)<=>C3H6(18)+CC(C)CR(20) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2783; RMG #2783 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C3H6(18); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+[CH2]CC(195)<=>CR(22)+C3H6(18) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2784; RMG #2784 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C7H14R(9)<=>C3H6(18)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2785; RMG #2785 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C5H8L(89)<=>C3H6(18)+C5H9L(24) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2786; RMG #2786 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H12L(11)<=>C3H6(18)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2787; RMG #2787 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C3H6(18); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+[CH2]CC(195)<=>CCL(26)+C3H6(18) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2788; RMG #2788 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CCCR(27); C[CH]CR(10), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+[CH2]CC(195)<=>C3H6(18)+CCCR(27) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2789; RMG #2789 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), CCCC(C)CR(32); [CH2]CC(195), CCCC(C)CR(32); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+[CH2]CC(195)<=>CCCC(C)CR(32) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #2790; RMG #2790 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C[CH]CC(C)CR(5)<=>C3H6(18)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2791; RMG #2791 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C8H17L(49); C[CH]CC(C)L(7), C8H17L(49); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]CC(195)+C[CH]CC(C)L(7)<=>C8H17L(49) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #2792; RMG #2792 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C8H16L(15)<=>C3H6(18)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2793; RMG #2793 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10R(90)<=>C3H6(18)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2794; RMG #2794 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10R(171)<=>C3H6(18)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2795; RMG #2795 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C5H8L(77)<=>C3H6(18)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2796; RMG #2796 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C5H8L(89)<=>C3H6(18)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2797; RMG #2797 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C3H6(18); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+[CH2]CC(195)<=>C3H5R(58)+C3H6(18) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2798; RMG #2798 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C3H6(18); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+[CH2]CC(195)<=>C3H5L(59)+C3H6(18) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2799; RMG #2799 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(60); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C4H6R(79)<=>C3H6(18)+C4H7R(60) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2800; RMG #2800 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C8H14L(112)<=>C3H6(18)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2801; RMG #2801 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C7H12R(108)<=>C3H6(18)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2802; RMG #2802 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10L(103)<=>C3H6(18)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2803; RMG #2803 -! Template reaction: Disproportionation -! Flux pairs: [CH2]CC(195), C3H6(18); CH3(74), C(75); -! Matched reaction 20 CH3_r1 + C3H7-2 <=> CH4 + C3H6-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1] -! family: Disproportionation -CH3(74)+[CH2]CC(195)<=>C(75)+C3H6(18) 2.300000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #2804; RMG #2804 -! Template reaction: Disproportionation -! Flux pairs: [CH2]CC(195), C3H6(18); CH3(74), C(75); -! Matched reaction 20 CH3_r1 + C3H7-2 <=> CH4 + C3H6-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C] -! family: Disproportionation -CH3(74)+[CH2]CC(195)<=>C(75)+C3H6(18) 2.300000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #2805; RMG #2805 -! Library reaction: restart -! Flux pairs: C4H6R(79), C4H7R(81); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C4H6R(79)<=>C3H6(18)+C4H7R(81) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2806; RMG #2806 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: [CH2]CC(195), H(82); [CH2]CC(195), C3H6(18); -! Matched reaction 2920 C3H7-4 <=> propene_2 + H in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-CsH_Cds-HH;HJ] -! family: R_Addition_MultipleBond -[CH2]CC(195)<=>H(82)+C3H6(18) 9.950000e+30 -5.300 43.000 - -! Reaction index: Chemkin #2807; RMG #2807 -! Template reaction: Disproportionation -! Flux pairs: [CH2]CC(195), C3H6(18); H(82), [H][H](83); -! Matched reaction 18 H + C3H7-2 <=> H2 + C3H6-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H] -! family: Disproportionation -H(82)+[CH2]CC(195)<=>[H][H](83)+C3H6(18) 3.620000e+12 0.000 0.000 - -! Reaction index: Chemkin #2808; RMG #2808 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C5H8L(77)<=>C3H6(18)+C5H9L(84) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2809; RMG #2809 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C7H15(85)<=>C3H6(18)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2810; RMG #2810 -! Library reaction: restart -! Flux pairs: H(82), CCC(95); [CH2]CC(195), CCC(95); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+[CH2]CC(195)<=>CCC(95) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #2811; RMG #2811 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CR(20), [CH2]C(C)CR(6); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+CC(C)CR(20)<=>CCC(95)+[CH2]C(C)CR(6) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #2812; RMG #2812 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+[CH2]CC(195)<=>C[CH]CR(10)+CCC(95) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2813; RMG #2813 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)CR(32), C[CH]CC(C)CR(5); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+CCCC(C)CR(32)<=>CCC(95)+C[CH]CC(C)CR(5) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2814; RMG #2814 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); CC(C)L(13), [CH2]C(C)L(4); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)L(13)+[CH2]CC(195)<=>[CH2]C(C)L(4)+CCC(95) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #2815; RMG #2815 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)CR(23), C7H14R(9); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+CC(C)CC(C)CR(23)<=>CCC(95)+C7H14R(9) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #2816; RMG #2816 -! Template reaction: H_Abstraction -! Flux pairs: CCCC(C)L(16), C[CH]CC(C)L(7); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+CCCC(C)L(16)<=>CCC(95)+C[CH]CC(C)L(7) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2817; RMG #2817 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+[CH2]CC(195)<=>C[CH]L(8)+CCC(95) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2818; RMG #2818 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)L(25), C6H12L(11); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+CC(C)CC(C)L(25)<=>CCC(95)+C6H12L(11) 3.260600e-04 4.810 8.490 - -! Reaction index: Chemkin #2819; RMG #2819 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CCC(95); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+[CH2]CC(195)<=>C3H5R(12)+CCC(95) 1.225850e+27 -4.376 3.758 - -! Reaction index: Chemkin #2820; RMG #2820 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); CR(22), [CH2]R(14); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\H2\Cs;C_rad/H2/Cs] -! Euclidian distance = 2.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CR(22)+[CH2]CC(195)<=>[CH2]R(14)+CCC(95) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #2821; RMG #2821 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(17) 1.225850e+27 -4.376 3.633 - -! Reaction index: Chemkin #2822; RMG #2822 -! Template reaction: Disproportionation -! Flux pairs: [CH2]CC(195), CCC(95); C[CH]C(94), C3H6(18); -! Matched reaction 27 C3H7-2 + C3H7 <=> C3H8 + C3H6-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C] -! family: Disproportionation -C[CH]C(94)+[CH2]CC(195)<=>C3H6(18)+CCC(95) 5.130000e+13 -0.350 0.000 -DUPLICATE - -! Reaction index: Chemkin #2823; RMG #2823 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CCC(95); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+[CH2]CC(195)<=>C3H6(18)+CCC(95) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2824; RMG #2824 -! Template reaction: Disproportionation -! Flux pairs: [CH2]CC(195), CCC(95); C[CH]C(94), C3H6(18); -! Matched reaction 27 C3H7-2 + C3H7 <=> C3H8 + C3H6-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-2R!H-R_2R!H->C] -! family: Disproportionation -C[CH]C(94)+[CH2]CC(195)<=>C3H6(18)+CCC(95) 5.130000e+13 -0.350 0.000 -DUPLICATE - -! Reaction index: Chemkin #2825; RMG #2825 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CCC(95); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+[CH2]CC(195)<=>C2H3L(19)+CCC(95) 1.225850e+27 -4.376 3.758 - -! Reaction index: Chemkin #2826; RMG #2826 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C8H16L(15)<=>CCC(95)+C8H15L(21) 1.225850e+27 -4.376 3.633 - -! Reaction index: Chemkin #2827; RMG #2827 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(24) 1.225850e+27 -4.376 3.633 - -! Reaction index: Chemkin #2828; RMG #2828 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C[CH]CC(C)CR(5)<=>CCC(95)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2829; RMG #2829 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C[CH]CC(C)L(7)<=>CCC(95)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2830; RMG #2830 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CCC(95); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+[CH2]CC(195)<=>C3H5R(58)+CCC(95) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2831; RMG #2831 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), CCC(95); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+[CH2]CC(195)<=>C3H5L(59)+CCC(95) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2832; RMG #2832 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]CC(195)+[CH2]C(C)CR(6)<=>CCC(95)+C4H7R(60) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2833; RMG #2833 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C8H16L(15)<=>CCC(95)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2834; RMG #2834 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]CC(195)+C7H14R(9)<=>CCC(95)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2835; RMG #2835 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]CC(195)+C6H12L(11)<=>CCC(95)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #2836; RMG #2836 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(65) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #2837; RMG #2837 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(66); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(66) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2838; RMG #2838 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(67); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(67) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2839; RMG #2839 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(68); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(68) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2840; RMG #2840 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(69) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #2841; RMG #2841 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(70); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(70) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #2842; RMG #2842 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(71); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(71) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #2843; RMG #2843 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(72) 2.434160e-04 4.470 6.593 - -! Reaction index: Chemkin #2844; RMG #2844 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(73); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+RC10L(1)<=>CCC(95)+C9H17LR(73) 1.630300e-04 4.810 8.490 - -! Reaction index: Chemkin #2845; RMG #2845 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), [CH2]CC(195); CH3(74), C(75); -! Estimated using template [C/H3/Cs\OneNonDe;C_methyl] for rate rule [C/H3/Cs\H2\Cs;C_methyl] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CH3(74)+CCC(95)<=>C(75)+[CH2]CC(195) 4.000000e+00 3.570 7.717 - -! Reaction index: Chemkin #2846; RMG #2846 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C5H9L(57)<=>CCC(95)+C5H8L(77) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2847; RMG #2847 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C5H9L(84)<=>CCC(95)+C5H8L(77) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2848; RMG #2848 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+[CH2]CC(195)<=>C3H4R(78)+CCC(95) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2849; RMG #2849 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+[CH2]CC(195)<=>C3H4R(78)+CCC(95) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2850; RMG #2850 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C4H7R(60)<=>CCC(95)+C4H6R(79) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2851; RMG #2851 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+C4H7R(81)<=>CCC(95)+C4H6R(79) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #2852; RMG #2852 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), [CH2]CC(195); H(82), [H][H](83); -! Estimated using average of templates [C/H3/Cs\OneNonDe;H_rad] + [C/H3/Cs\H2\Cs;Y_rad] for rate rule [C/H3/Cs\H2\Cs;H_rad] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -H(82)+CCC(95)<=>[H][H](83)+[CH2]CC(195) 1.663820e+04 2.718 6.496 - -! Reaction index: Chemkin #2853; RMG #2853 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)CC(C)C(87), C7H15(85); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -[CH2]CC(195)+CC(C)CC(C)C(87)<=>CCC(95)+C7H15(85) 6.521200e-04 4.810 8.490 - -! Reaction index: Chemkin #2854; RMG #2854 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C5H9L(24)<=>CCC(95)+C5H8L(89) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2855; RMG #2855 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C5H9L(57)<=>CCC(95)+C5H8L(89) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2856; RMG #2856 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C6H11R(56)<=>CCC(95)+C6H10R(90) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2857; RMG #2857 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H11R(98)<=>CCC(95)+C6H10R(90) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2858; RMG #2858 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), CCC(95); [CH2]CC(195), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+CCC(95)<=>C[CH]C(94)+CCC(95) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #2859; RMG #2859 -! Template reaction: H_Abstraction -! Flux pairs: C8H17L(49), C8H16L(15); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C8H17L(49)<=>CCC(95)+C8H16L(15) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2860; RMG #2860 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10R(90)<=>C3H6(18)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2861; RMG #2861 -! Template reaction: H_Abstraction -! Flux pairs: RC10(2), C10H20R(64); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+RC10(2)<=>CCC(95)+C10H20R(64) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2862; RMG #2862 -! Template reaction: H_Abstraction -! Flux pairs: LC10(3), C10H20L(76); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+LC10(3)<=>CCC(95)+C10H20L(76) 2.163870e-03 4.290 7.536 - -! Reaction index: Chemkin #2863; RMG #2863 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+[CH2]CC(195)<=>C3H5(102)+CCC(95) 2.961350e-04 4.545 4.565 - -! Reaction index: Chemkin #2864; RMG #2864 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H11L(63)<=>CCC(95)+C6H10L(103) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2865; RMG #2865 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+C6H11L(107)<=>CCC(95)+C6H10L(103) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #2866; RMG #2866 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10L(169)<=>C3H6(18)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2867; RMG #2867 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10L(103)<=>C3H6(18)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2868; RMG #2868 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C7H13R(62)<=>CCC(95)+C7H12R(108) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2869; RMG #2869 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+C7H13R(120)<=>CCC(95)+C7H12R(108) 2.688720e-04 4.649 4.528 - -! Reaction index: Chemkin #2870; RMG #2870 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H9(113)<=>C3H6(18)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2871; RMG #2871 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C8H15L(61)<=>CCC(95)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2872; RMG #2872 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C6H10(110)<=>CCC(95)+C6H9(113) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2873; RMG #2873 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H10(116)<=>CCC(95)+C6H9(114) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2874; RMG #2874 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C6H9(160)<=>C3H6(18)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2875; RMG #2875 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H9(114)<=>C3H6(18)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2876; RMG #2876 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C6H7(123)<=>C3H6(18)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2877; RMG #2877 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H9(114)<=>CCC(95)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2878; RMG #2878 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C7H12R(108)<=>C3H6(18)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2879; RMG #2879 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H8(118)<=>CCC(95)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2880; RMG #2880 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H8(125)<=>CCC(95)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2881; RMG #2881 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C6H7(123)<=>C3H6(18)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2882; RMG #2882 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H9(114)<=>CCC(95)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2883; RMG #2883 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C6H9(160)<=>CCC(95)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2884; RMG #2884 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+[CH2]CC(195)<=>C3H4L(147)+CCC(95) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #2885; RMG #2885 -! Template reaction: H_Abstraction -! Flux pairs: C4H8(157), C4H7(156); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]CC(195)+C4H8(157)<=>CCC(95)+C4H7(156) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #2886; RMG #2886 -! Library reaction: restart -! Flux pairs: C4H7(156), C4H8(157); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C4H7(156)<=>C3H6(18)+C4H8(157) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2887; RMG #2887 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H10(116)<=>CCC(95)+C6H9(160) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2888; RMG #2888 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C6H11L(107)<=>CCC(95)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2889; RMG #2889 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H11R(17)<=>CCC(95)+C6H10R(171) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2890; RMG #2890 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C6H11R(56)<=>CCC(95)+C6H10R(171) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2891; RMG #2891 -! Library reaction: restart -! Flux pairs: C5H7(174), C5H8(173); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C5H7(174)<=>C3H6(18)+C5H8(173) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2892; RMG #2892 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C5H8(173)<=>CCC(95)+C5H7(174) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #2893; RMG #2893 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]CC(195)+C5H8(180)<=>CCC(95)+C5H7(178) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #2894; RMG #2894 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H8(180); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C5H7(178)<=>C3H6(18)+C5H8(180) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2895; RMG #2895 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C10H15(183)<=>CCC(95)+C10H14(184) 1.225850e+27 -4.376 5.367 - -! Reaction index: Chemkin #2896; RMG #2896 -! Library reaction: restart -! Flux pairs: C5H5(189), C5H6(187); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -[CH2]CC(195)+C5H5(189)<=>C3H6(18)+C5H6(187) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #2897; RMG #2897 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C5H7(178)<=>CCC(95)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2898; RMG #2898 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C5H6(187)<=>CCC(95)+C5H5(189) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #2899; RMG #2899 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C8H13(191)<=>CCC(95)+C8H12(194) 1.225850e+27 -4.376 3.758 - -! Reaction index: Chemkin #2900; RMG #2900 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), [CH2]CC(195); C2H4(196), [CH2]CC(195); -! Matched reaction 2902 CH3 + C2H4 <=> C3H7 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-HH_Cds-HH;CsJ-HHH] -! family: R_Addition_MultipleBond -CH3(74)+C2H4(196)<=>[CH2]CC(195) 8.610000e+02 2.988 7.238 - -! Reaction index: Chemkin #2901; RMG #2901 -! Template reaction: Intra_R_Add_Exocyclic -! Flux pairs: C8H13(191), C8H13(197); -! Matched reaction 181 C8H13-17 <=> C8H13-18 in Intra_R_Add_Exocyclic/training -! This reaction matched rate rule [Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Sp-7R!H=6R!H] -! family: Intra_R_Add_Exocyclic -C8H13(191)<=>C8H13(197) 6.190000e+11 0.210 14.020 - -! Reaction index: Chemkin #2902; RMG #2902 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H4(196), C8H13(198); C6H9(113), C8H13(198); -! From training reaction 13 used for Cds-HH_Cds-HH;CsJ-CdCdH -! Exact match found for rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C2H4(196)+C6H9(113)<=>C8H13(198) 2.971820e+02 2.951 4.541 - -! Reaction index: Chemkin #2903; RMG #2903 -! Library reaction: restart -! Flux pairs: H(82), C7H13R(120); C7H12R(199), C7H13R(120); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -H(82)+C7H12R(199)<=>C7H13R(120) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #2904; RMG #2904 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C7H13R(120)<=>CC(C)CR(20)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2905; RMG #2905 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C7H13R(120)<=>CCCR(27)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2906; RMG #2906 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C7H13R(120)<=>CCCC(C)CR(32)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2907; RMG #2907 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C7H13R(120)<=>CC(C)L(13)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2908; RMG #2908 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C7H14R(9)<=>C7H12R(199)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2909; RMG #2909 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C7H13R(120)<=>CCCC(C)L(16)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2910; RMG #2910 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C7H13R(120)<=>CCL(26)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2911; RMG #2911 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H12L(11)+C7H13R(120)<=>CC(C)CC(C)L(25)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2912; RMG #2912 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C7H12R(199)<=>C3H5R(12)+C7H13R(120) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2913; RMG #2913 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C7H13R(120)<=>CR(22)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2914; RMG #2914 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(17)+C7H13R(120) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #2915; RMG #2915 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C7H12R(199)<=>C3H6(18)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2916; RMG #2916 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C7H12R(199)<=>C3H6(18)+C7H13R(120) 2.451710e+27 -4.376 7.254 - -! Reaction index: Chemkin #2917; RMG #2917 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C7H12R(199)<=>C2H3L(19)+C7H13R(120) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2918; RMG #2918 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C8H16L(15)<=>C7H13R(120)+C8H15L(21) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #2919; RMG #2919 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(24)+C7H13R(120) 1.225850e+27 -4.376 7.170 - -! Reaction index: Chemkin #2920; RMG #2920 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(56)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2921; RMG #2921 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(57)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2922; RMG #2922 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C7H12R(199)<=>C3H5R(58)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2923; RMG #2923 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C7H12R(199)<=>C3H5L(59)+C7H13R(120) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2924; RMG #2924 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C7H12R(199)<=>C4H7R(60)+C7H13R(120) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2925; RMG #2925 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C8H16L(15)<=>C7H13R(120)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2926; RMG #2926 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(120); C7H12R(199), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H12R(199)+C7H14R(9)<=>C7H13R(62)+C7H13R(120) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2927; RMG #2927 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C7H12R(199)<=>C6H11L(63)+C7H13R(120) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #2928; RMG #2928 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(66)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2929; RMG #2929 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(67)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2930; RMG #2930 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(68)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2931; RMG #2931 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C7H13R(120), C7H12R(199); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(69)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #2932; RMG #2932 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(70)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2933; RMG #2933 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(71)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2934; RMG #2934 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C7H13R(120), C7H12R(199); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(72)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #2935; RMG #2935 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(73)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2936; RMG #2936 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C7H13R(120)<=>C(75)+C7H12R(199) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #2937; RMG #2937 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(120); C5H9L(57), C5H8L(77); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C7H12R(199)<=>C5H8L(77)+C7H13R(120) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2938; RMG #2938 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H8L(77), C5H9L(84); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C7H13R(120)<=>C5H9L(84)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2939; RMG #2939 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C7H13R(120)<=>C3H5R(12)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2940; RMG #2940 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C7H13R(120)<=>C3H5R(58)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2941; RMG #2941 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C7H13R(120)<=>C4H7R(60)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2942; RMG #2942 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C7H13R(120)<=>C4H7R(81)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2943; RMG #2943 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C7H15(85)<=>C7H12R(199)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2944; RMG #2944 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H8L(89), C5H9L(24); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C7H13R(120)<=>C5H9L(24)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2945; RMG #2945 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H8L(89), C5H9L(57); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C7H13R(120)<=>C5H9L(57)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2946; RMG #2946 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(120); C6H11R(56), C6H10R(90); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C7H12R(199)<=>C6H10R(90)+C7H13R(120) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2947; RMG #2947 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H10R(90), C6H11R(98); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C7H13R(120)<=>C6H11R(98)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2948; RMG #2948 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C7H13R(120)<=>CCC(95)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2949; RMG #2949 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C7H13R(120)<=>C3H6(18)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2950; RMG #2950 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H10L(103), C6H11L(63); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C7H13R(120)<=>C6H11L(63)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2951; RMG #2951 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C7H13R(120)<=>C6H11L(107)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2952; RMG #2952 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H13R(62); C7H12R(108), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+C7H13R(120)<=>C7H12R(199)+C7H13R(62) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2953; RMG #2953 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H13R(120); C7H12R(108), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+C7H13R(120)<=>C7H12R(199)+C7H13R(120) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2954; RMG #2954 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C7H12R(199), C7H13R(120); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(199)+C8H15L(61)<=>C7H13R(120)+C8H14L(112) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2955; RMG #2955 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H9(113), C6H10(110); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+C7H13R(120)<=>C6H10(110)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2956; RMG #2956 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H9(114), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+C7H13R(120)<=>C6H10(116)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2957; RMG #2957 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(199)<=>C6H8(118)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2958; RMG #2958 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C8H16L(15)<=>C7H12R(199)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2959; RMG #2959 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C10H20R(64)<=>C7H12R(199)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2960; RMG #2960 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C7H13R(120), C7H12R(199); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C9H17LR(65)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #2961; RMG #2961 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C10H20L(76)<=>C7H12R(199)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #2962; RMG #2962 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H7(123), C6H8(118); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C7H13R(120)<=>C6H8(118)+C7H12R(199) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #2963; RMG #2963 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H7(123), C6H8(125); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C7H13R(120)<=>C6H8(125)+C7H12R(199) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #2964; RMG #2964 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(199)<=>C6H8(125)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2965; RMG #2965 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C7H12R(199)<=>C6H8(125)+C7H13R(120) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2966; RMG #2966 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C7H13R(120)<=>C3H5L(59)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2967; RMG #2967 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C7H13R(120)<=>C4H8(157)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2968; RMG #2968 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H9(160), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+C7H13R(120)<=>C6H10(116)+C7H12R(199) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2969; RMG #2969 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(120); C6H11L(107), C6H10L(169); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C7H12R(199)<=>C6H10L(169)+C7H13R(120) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #2970; RMG #2970 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H10R(171), C6H11R(17); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C7H13R(120)<=>C6H11R(17)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #2971; RMG #2971 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H10R(171), C6H11R(56); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C7H13R(120)<=>C6H11R(56)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #2972; RMG #2972 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C7H13R(120)<=>C5H8(173)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #2973; RMG #2973 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C7H13R(120)<=>C5H8(180)+C7H12R(199) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #2974; RMG #2974 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C10H15(183)<=>C7H13R(120)+C10H14(184) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #2975; RMG #2975 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C7H12R(199)<=>C5H6(187)+C7H13R(120) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #2976; RMG #2976 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C7H13R(120)<=>C5H6(187)+C7H12R(199) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #2977; RMG #2977 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C8H13(191)<=>C7H13R(120)+C8H12(194) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #2978; RMG #2978 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C7H13R(120)<=>CCC(95)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #2979; RMG #2979 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C7H13R(120)<=>[H][H](83)+C7H12R(199) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #2980; RMG #2980 -! Library reaction: restart -! Flux pairs: C5H7(174), C10H14(200); C5H7(174), C10H14(200); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C5H7(174)<=>C10H14(200) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #2981; RMG #2981 -! Library reaction: restart -! Flux pairs: C5H5(189), C10H12(201); C5H7(174), C10H12(201); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C5H7(174)<=>C10H12(201) 1.767930e+17 -1.003 0.000 - -! Reaction index: Chemkin #2982; RMG #2982 -! Library reaction: restart -! Flux pairs: H(82), C10H14(179); C10H13(202), C10H14(179); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C10H13(202)<=>C10H14(179) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #2983; RMG #2983 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C10H14(179)<=>CCCR(27)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2984; RMG #2984 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C10H14(179)<=>CCL(26)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #2985; RMG #2985 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C10H13(202)<=>C3H5R(12)+C10H14(179) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #2986; RMG #2986 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C10H14(179)<=>CR(22)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #2987; RMG #2987 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C10H13(202)<=>C6H11R(17)+C10H14(179) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #2988; RMG #2988 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H13(202)<=>C3H6(18)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2989; RMG #2989 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C10H13(202)<=>C3H6(18)+C10H14(179) 2.451710e+27 -4.376 7.580 - -! Reaction index: Chemkin #2990; RMG #2990 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C10H13(202)<=>C2H3L(19)+C10H14(179) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #2991; RMG #2991 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C10H13(202)<=>C8H15L(21)+C10H14(179) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #2992; RMG #2992 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C10H13(202)<=>C5H9L(24)+C10H14(179) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #2993; RMG #2993 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H13(202)<=>C6H11R(56)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2994; RMG #2994 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H13(202)<=>C5H9L(57)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2995; RMG #2995 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H13(202)<=>C3H5R(58)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2996; RMG #2996 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C10H13(202)<=>C3H5L(59)+C10H14(179) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #2997; RMG #2997 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C10H13(202)<=>C4H7R(60)+C10H14(179) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #2998; RMG #2998 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H13(202)<=>C8H15L(61)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #2999; RMG #2999 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C10H13(202)<=>C7H13R(62)+C10H14(179) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3000; RMG #3000 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C10H13(202)<=>C6H11L(63)+C10H14(179) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3001; RMG #3001 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C10H13(202)<=>C5H8L(77)+C10H14(179) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3002; RMG #3002 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C10H14(179)<=>C5H9L(84)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3003; RMG #3003 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C10H14(179)<=>C3H5R(12)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3004; RMG #3004 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C10H14(179)<=>C3H5R(58)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3005; RMG #3005 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C10H14(179)<=>C4H7R(60)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3006; RMG #3006 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C10H14(179)<=>C4H7R(81)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3007; RMG #3007 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C10H14(179)<=>C5H9L(24)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3008; RMG #3008 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C10H14(179)<=>C5H9L(57)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3009; RMG #3009 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H11R(56), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C10H13(202)<=>C6H10R(90)+C10H14(179) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3010; RMG #3010 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H10R(90), C6H11R(98); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C10H14(179)<=>C6H11R(98)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3011; RMG #3011 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C10H13(202)<=>C3H5(102)+C10H14(179) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3012; RMG #3012 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H10L(103), C6H11L(63); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C10H14(179)<=>C6H11L(63)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3013; RMG #3013 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C10H14(179)<=>C6H11L(107)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3014; RMG #3014 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C7H12R(108), C7H13R(62); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C10H14(179)<=>C7H13R(62)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3015; RMG #3015 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C7H12R(108), C7H13R(120); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C10H14(179)<=>C7H13R(120)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3016; RMG #3016 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C10H13(202)<=>C6H9(113)+C10H14(179) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3017; RMG #3017 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H9(114), C6H10(116); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(114)+C10H14(179)<=>C6H10(116)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3018; RMG #3018 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H13(202)<=>C6H8(118)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3019; RMG #3019 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C10H13(202)<=>C6H7(123)+C10H14(179) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #3020; RMG #3020 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C10H13(202)<=>C6H7(123)+C10H14(179) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #3021; RMG #3021 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H13(202)<=>C6H8(125)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3022; RMG #3022 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H13(202)<=>C6H8(125)+C10H14(179) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3023; RMG #3023 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C10H14(179)<=>C3H5L(59)+C10H13(202) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3024; RMG #3024 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C10H14(179)<=>C4H8(157)+C10H13(202) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3025; RMG #3025 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H9(160), C6H10(116); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H9(160)+C10H14(179)<=>C6H10(116)+C10H13(202) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #3026; RMG #3026 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H11L(107), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C10H13(202)<=>C6H10L(169)+C10H14(179) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3027; RMG #3027 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H10R(171), C6H11R(17); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C10H14(179)<=>C6H11R(17)+C10H13(202) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3028; RMG #3028 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C10H14(179)<=>C6H11R(56)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3029; RMG #3029 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C10H13(202)<=>C5H7(174)+C10H14(179) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3030; RMG #3030 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C10H13(202)<=>C5H7(178)+C10H14(179) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #3031; RMG #3031 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H6(187), C10H13(202); C5H7(174), C10H13(202); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdHH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: R_Addition_MultipleBond -C5H6(187)+C5H7(174)<=>C10H13(202) 4.760000e+04 2.410 10.290 - -! Reaction index: Chemkin #3032; RMG #3032 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C10H13(202)<=>C5H6(187)+C10H14(179) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3033; RMG #3033 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C10H15(183)<=>C10H14(179)+C10H14(184) 1.225850e+27 -4.376 10.132 - -! Reaction index: Chemkin #3034; RMG #3034 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C10H13(202)<=>C8H12(194)+C10H14(179) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #3035; RMG #3035 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(65)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3036; RMG #3036 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(69)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3037; RMG #3037 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(66)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3038; RMG #3038 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(68)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3039; RMG #3039 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(72)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3040; RMG #3040 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(73)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3041; RMG #3041 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(71)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3042; RMG #3042 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(67)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3043; RMG #3043 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(70)+C10H13(202)<=>RC10L(1)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3044; RMG #3044 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C10H20R(64)<=>C10H12(201)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3045; RMG #3045 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C10H20L(76)<=>C10H12(201)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3046; RMG #3046 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C10H13(202)<=>C3H5R(12)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3047; RMG #3047 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C10H13(202)<=>CC(C)L(13)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3048; RMG #3048 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H13(202)<=>CCCC(C)L(16)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3049; RMG #3049 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C10H13(202)<=>C6H11R(17)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3050; RMG #3050 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C10H13(202)<=>C3H6(18)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3051; RMG #3051 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C10H13(202)<=>CC(C)CR(20)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3052; RMG #3052 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C10H13(202)<=>CR(22)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3053; RMG #3053 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C10H13(202)<=>CC(C)CC(C)CR(23)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3054; RMG #3054 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C10H13(202)<=>C5H9L(24)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3055; RMG #3055 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C10H13(202)<=>CC(C)CC(C)L(25)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3056; RMG #3056 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C10H13(202)<=>CCL(26)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3057; RMG #3057 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H13(202)<=>CCCR(27)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3058; RMG #3058 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H13(202)<=>CCCC(C)CR(32)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3059; RMG #3059 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H13(202)<=>C8H17L(49)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3060; RMG #3060 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H13(202)<=>C6H11R(56)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3061; RMG #3061 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C10H13(202)<=>C6H11R(56)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3062; RMG #3062 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C10H13(202)<=>C5H9L(57)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3063; RMG #3063 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C10H13(202)<=>C5H9L(57)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3064; RMG #3064 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C10H13(202)<=>C3H5R(58)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3065; RMG #3065 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C10H13(202)<=>C3H5L(59)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3066; RMG #3066 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C10H13(202)<=>C4H7R(60)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3067; RMG #3067 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C10H13(202)<=>C8H15L(61)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3068; RMG #3068 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C10H13(202)<=>C7H13R(62)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3069; RMG #3069 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C10H13(202)<=>C6H11L(63)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3070; RMG #3070 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C10H13(202)<=>C(75)+C10H12(201) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #3071; RMG #3071 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C10H13(202)<=>C(75)+C10H12(201) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #3072; RMG #3072 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C10H13(202)<=>C4H7R(81)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3073; RMG #3073 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C10H13(202)<=>[H][H](83)+C10H12(201) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #3074; RMG #3074 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C10H13(202)<=>C5H9L(84)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3075; RMG #3075 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C10H13(202)<=>CC(C)CC(C)C(87)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3076; RMG #3076 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C10H13(202)<=>CCC(95)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3077; RMG #3077 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H13(202)<=>CCC(95)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3078; RMG #3078 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H13(202)<=>C6H11R(98)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3079; RMG #3079 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C10H13(202)<=>C6H11L(107)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3080; RMG #3080 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C10H13(202)<=>C6H11L(107)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3081; RMG #3081 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C10H13(202)<=>C6H10(110)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3082; RMG #3082 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H13(202)<=>C6H10(116)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3083; RMG #3083 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H13(202)<=>C6H10(116)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3084; RMG #3084 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C10H13(202)<=>C6H8(118)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3085; RMG #3085 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C10H13(202)<=>C7H13R(120)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3086; RMG #3086 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C10H13(202)<=>C7H13R(120)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3087; RMG #3087 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C10H13(202)<=>C6H8(125)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3088; RMG #3088 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C10H13(202)<=>C4H8(157)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3089; RMG #3089 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C10H13(202)<=>C5H8(173)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3090; RMG #3090 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C10H13(202)<=>C5H8(180)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3091; RMG #3091 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C10H13(202)<=>C5H6(187)+C10H12(201) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #3092; RMG #3092 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C10H13(202); C10H12(201), C10H13(202); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -H(82)+C10H12(201)<=>C10H13(202) 3.300000e+09 1.480 0.900 - -! Reaction index: Chemkin #3093; RMG #3093 -! Library reaction: restart -! Flux pairs: H(82), CC(L)CC(C)L(35); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -H(82)+C5H9L2(203)<=>CC(L)CC(C)L(35) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #3094; RMG #3094 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+CC(L)CC(C)L(35)<=>CC(C)CR(20)+C5H9L2(203) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3095; RMG #3095 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+CC(L)CC(C)L(35)<=>CCCR(27)+C5H9L2(203) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3096; RMG #3096 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C[CH]CC(C)CR(5)<=>C5H9L2(203)+CCCC(C)CR(32) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3097; RMG #3097 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+CC(L)CC(C)L(35)<=>CC(C)L(13)+C5H9L2(203) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3098; RMG #3098 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C7H14R(9)<=>C5H9L2(203)+CC(C)CC(C)CR(23) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3099; RMG #3099 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C[CH]CC(C)L(7)<=>C5H9L2(203)+CCCC(C)L(16) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3100; RMG #3100 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+CC(L)CC(C)L(35)<=>CCL(26)+C5H9L2(203) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3101; RMG #3101 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H12L(11)<=>C5H9L2(203)+CC(C)CC(C)L(25) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3102; RMG #3102 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C5H9L2(203)<=>C3H5R(12)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3103; RMG #3103 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+CC(L)CC(C)L(35)<=>CR(22)+C5H9L2(203) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3104; RMG #3104 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C8H16L(15)<=>C5H9L2(203)+C8H17L(49) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3105; RMG #3105 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C[CH]CC(C)CR(5)<=>CC(L)CC(C)L(35)+C6H11R(17) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #3106; RMG #3106 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C5H9L2(203)<=>C3H6(18)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3107; RMG #3107 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C5H9L2(203)<=>C3H6(18)+CC(L)CC(C)L(35) 2.451710e+27 -4.376 4.536 - -! Reaction index: Chemkin #3108; RMG #3108 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C5H9L2(203)<=>C2H3L(19)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3109; RMG #3109 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C8H16L(15)<=>CC(L)CC(C)L(35)+C8H15L(21) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #3110; RMG #3110 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CC(L)CC(C)L(35); C5H9L2(203), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C[CH]CC(C)L(7)<=>C5H9L(24)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 4.474 - -! Reaction index: Chemkin #3111; RMG #3111 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C[CH]CC(C)CR(5)<=>CC(L)CC(C)L(35)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3112; RMG #3112 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CC(L)CC(C)L(35); C5H9L2(203), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C[CH]CC(C)L(7)<=>C5H9L(57)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3113; RMG #3113 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C5H9L2(203)<=>C3H5R(58)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3114; RMG #3114 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C5H9L2(203); C3H5L(59), C5H9L2(203); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C3H5L(59)<=>C5H9L2(203) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #3115; RMG #3115 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C5H9L2(203)<=>C3H5L(59)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3116; RMG #3116 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C5H9L2(203)<=>C4H7R(60)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3117; RMG #3117 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C8H16L(15)<=>CC(L)CC(C)L(35)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3118; RMG #3118 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H9L2(203)+C7H14R(9)<=>CC(L)CC(C)L(35)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3119; RMG #3119 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H9L2(203)+C6H12L(11)<=>CC(L)CC(C)L(35)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3120; RMG #3120 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C10H20R(64)<=>C5H9L2(203)+RC10(2) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3121; RMG #3121 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+RC10L(1)<=>CC(L)CC(C)L(35)+C9H17LR(65) 5.420000e-04 4.340 4.900 - -! Reaction index: Chemkin #3122; RMG #3122 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(66)<=>C5H9L2(203)+RC10L(1) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3123; RMG #3123 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(67)<=>C5H9L2(203)+RC10L(1) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3124; RMG #3124 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(68)<=>C5H9L2(203)+RC10L(1) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3125; RMG #3125 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(70)<=>C5H9L2(203)+RC10L(1) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3126; RMG #3126 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(71)<=>C5H9L2(203)+RC10L(1) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3127; RMG #3127 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); CH3(74), C(75); -! From training reaction 953 used for C/H/Cs3;C_methyl -! Exact match found for rate rule [C/H/Cs3;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CH3(74)+CC(L)CC(C)L(35)<=>C(75)+C5H9L2(203) 2.260000e-02 4.340 7.690 - -! Reaction index: Chemkin #3128; RMG #3128 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C10H20L(76)<=>C5H9L2(203)+LC10(3) 2.554250e-04 4.473 6.257 - -! Reaction index: Chemkin #3129; RMG #3129 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H9L(57), C5H8L(77); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C5H9L2(203)<=>C5H8L(77)+CC(L)CC(C)L(35) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #3130; RMG #3130 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H8L(77), C5H9L(84); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+CC(L)CC(C)L(35)<=>C5H9L(84)+C5H9L2(203) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3131; RMG #3131 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C3H4R(78), C3H5R(12); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+CC(L)CC(C)L(35)<=>C3H5R(12)+C5H9L2(203) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3132; RMG #3132 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C3H4R(78), C3H5R(58); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+CC(L)CC(C)L(35)<=>C3H5R(58)+C5H9L2(203) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #3133; RMG #3133 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C4H6R(79), C4H7R(60); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+CC(L)CC(C)L(35)<=>C4H7R(60)+C5H9L2(203) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3134; RMG #3134 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+C5H9L2(203)<=>C4H6R(79)+CC(L)CC(C)L(35) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #3135; RMG #3135 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C7H15(85)<=>C5H9L2(203)+CC(C)CC(C)C(87) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3136; RMG #3136 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H8L(89), C5H9L(24); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+CC(L)CC(C)L(35)<=>C5H9L(24)+C5H9L2(203) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3137; RMG #3137 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H8L(89), C5H9L(57); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+CC(L)CC(C)L(35)<=>C5H9L(57)+C5H9L2(203) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #3138; RMG #3138 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+C6H11R(56)<=>CC(L)CC(C)L(35)+C6H10R(90) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #3139; RMG #3139 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H10R(90)<=>C5H9L2(203)+C6H11R(98) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3140; RMG #3140 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C[CH]C(94), CCC(95); -! From training reaction 955 used for C/H/Cs3;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs3;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]C(94)+CC(L)CC(C)L(35)<=>CCC(95)+C5H9L2(203) 1.622000e-03 4.340 5.300 - -! Reaction index: Chemkin #3141; RMG #3141 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C3H6(18), C3H5(102); -! From training reaction 999 used for C/H3/Cd\H_Cd\H2;C_rad/Cs3 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C5H9L2(203)<=>C3H5(102)+CC(L)CC(C)L(35) 1.014000e-03 4.340 3.700 - -! Reaction index: Chemkin #3142; RMG #3142 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H10L(103)<=>C5H9L2(203)+C6H11L(63) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3143; RMG #3143 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H9L2(203)+C6H11L(107)<=>CC(L)CC(C)L(35)+C6H10L(103) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #3144; RMG #3144 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C7H12R(108)<=>C5H9L2(203)+C7H13R(62) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3145; RMG #3145 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H9L2(203)+C7H13R(120)<=>CC(L)CC(C)L(35)+C7H12R(108) 5.136920e-04 4.418 3.856 - -! Reaction index: Chemkin #3146; RMG #3146 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H9(113)<=>C5H9L2(203)+C6H10(110) 3.380000e-02 4.340 16.850 - -! Reaction index: Chemkin #3147; RMG #3147 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H9(114)<=>C5H9L2(203)+C6H10(116) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3148; RMG #3148 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+C8H15L(61)<=>CC(L)CC(C)L(35)+C8H14L(112) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #3149; RMG #3149 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C6H9(114)<=>CC(L)CC(C)L(35)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3150; RMG #3150 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L2(203)+C6H8(118)<=>CC(L)CC(C)L(35)+C6H7(123) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #3151; RMG #3151 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L2(203)+C6H8(125)<=>CC(L)CC(C)L(35)+C6H7(123) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #3152; RMG #3152 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C6H9(114)<=>CC(L)CC(C)L(35)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3153; RMG #3153 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H9L2(203)+C6H9(160)<=>CC(L)CC(C)L(35)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3154; RMG #3154 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+C5H9L2(203)<=>C3H4L(147)+CC(L)CC(C)L(35) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #3155; RMG #3155 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+C5H9L2(203)<=>C4H7(156)+CC(L)CC(C)L(35) 8.640000e-05 4.520 1.460 - -! Reaction index: Chemkin #3156; RMG #3156 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H9(160)<=>C5H9L2(203)+C6H10(116) 2.780000e-02 4.340 14.900 - -! Reaction index: Chemkin #3157; RMG #3157 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+C6H11L(107)<=>CC(L)CC(C)L(35)+C6H10L(169) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #3158; RMG #3158 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H10R(171)<=>C5H9L2(203)+C6H11R(17) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3159; RMG #3159 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H10R(171)<=>C5H9L2(203)+C6H11R(56) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #3160; RMG #3160 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H7(174), C5H8(173); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(174)+CC(L)CC(C)L(35)<=>C5H8(173)+C5H9L2(203) 6.760000e-02 4.340 16.600 - -! Reaction index: Chemkin #3161; RMG #3161 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C5H7(178), C5H8(180); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+CC(L)CC(C)L(35)<=>C5H8(180)+C5H9L2(203) 2.780000e-02 4.340 14.900 - -! Reaction index: Chemkin #3162; RMG #3162 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C10H15(183)<=>CC(L)CC(C)L(35)+C10H14(184) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #3163; RMG #3163 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C5H9L2(203)<=>C5H6(187)+CC(L)CC(C)L(35) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3164; RMG #3164 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H6(187), C5H5(189); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C5H9L2(203)<=>C5H5(189)+CC(L)CC(C)L(35) 1.916000e-03 4.340 -2.500 - -! Reaction index: Chemkin #3165; RMG #3165 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C8H13(191)<=>CC(L)CC(C)L(35)+C8H12(194) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3166; RMG #3166 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+C7H13R(120)<=>CC(L)CC(C)L(35)+C7H12R(199) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #3167; RMG #3167 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C10H13(202)<=>CC(L)CC(C)L(35)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3168; RMG #3168 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H13(202)<=>C9H17LR(65)+C10H14(179) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #3169; RMG #3169 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H13(202)<=>C9H17LR(69)+C10H14(179) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #3170; RMG #3170 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3171; RMG #3171 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3172; RMG #3172 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H13(202)<=>C9H17LR(72)+C10H14(179) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #3173; RMG #3173 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3174; RMG #3174 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3175; RMG #3175 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3176; RMG #3176 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C10H14(179)<=>RC10L(1)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3177; RMG #3177 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(69)<=>C5H9L2(203)+RC10L(1) 1.084000e-03 4.340 4.900 - -! Reaction index: Chemkin #3178; RMG #3178 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 3026 used for C/H/Cs3;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs3;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(72)<=>C5H9L2(203)+RC10L(1) 1.084000e-03 4.340 4.900 - -! Reaction index: Chemkin #3179; RMG #3179 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C9H17LR(73)<=>C5H9L2(203)+RC10L(1) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3180; RMG #3180 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C10H14(179)<=>CC(C)L(13)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3181; RMG #3181 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C10H14(179)<=>CC(C)CR(20)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3182; RMG #3182 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C10H14(179)<=>CC(C)CC(C)L(25)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3183; RMG #3183 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+CC(L)CC(C)L(35)<=>CCC(95)+C5H9L2(203) 4.868320e-04 4.470 6.593 - -! Reaction index: Chemkin #3184; RMG #3184 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C10H13(202)<=>CH3(74)+C10H14(179) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #3185; RMG #3185 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); H(82), [H][H](83); -! From training reaction 952 used for C/H/Cs3;H_rad -! Exact match found for rate rule [C/H/Cs3;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -H(82)+CC(L)CC(C)L(35)<=>[H][H](83)+C5H9L2(203) 9.520000e-01 4.340 2.000 - -! Reaction index: Chemkin #3186; RMG #3186 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C10H13(202)<=>C[CH]C(94)+C10H14(179) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #3187; RMG #3187 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C10H14(179)<=>CCC(95)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3188; RMG #3188 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C7H13R(120), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C10H13(202)<=>C7H12R(199)+C10H14(179) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3189; RMG #3189 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C10H13(202)<=>C10H12(201)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3190; RMG #3190 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H16(204); C6H9(114), C11H16(204); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H9(114)<=>C11H16(204) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3191; RMG #3191 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C10H14L(205); C5H7(174), C10H14L(205); -! From training reaction 475 used for Cds-CsH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7L(104)+C5H7(174)<=>C10H14L(205) 2.380000e+04 2.410 10.290 - -! Reaction index: Chemkin #3192; RMG #3192 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]CR(10), C7H11LR(206); C4H5L(91), C7H11LR(206); -! From training reaction 473 used for Cds-CsH_Cds-CdH;CsJ-CsCsH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C4H5L(91)<=>C7H11LR(206) 9.220000e+02 2.410 2.240 - -! Reaction index: Chemkin #3193; RMG #3193 -! Library reaction: restart -! Flux pairs: C3H4R(78), C8H9R(207); C5H5(189), C8H9R(207); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 5.0 -C3H4R(78)+C5H5(189)<=>C8H9R(207) 8.839650e+16 -1.003 0.000 - -! Reaction index: Chemkin #3194; RMG #3194 -! Library reaction: restart -! Flux pairs: C8H11LR(134), C8H11LR(208); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R -C8H11LR(134)<=>C8H11LR(208) 2.322560e-20 8.934 1.071 - -! Reaction index: Chemkin #3195; RMG #3195 -! Library reaction: restart -! Flux pairs: C8H11LR(208), C8H11LR(209); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R -C8H11LR(208)<=>C8H11LR(209) 4.825870e+53 -11.671 43.762 - -! Reaction index: Chemkin #3196; RMG #3196 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H6(187), C10H13(210); C5H7(174), C10H13(210); -! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H6(187)+C5H7(174)<=>C10H13(210) 5.760000e+01 2.740 3.300 - -! Reaction index: Chemkin #3197; RMG #3197 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H16(211); C6H9(114), C11H16(211); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H9(114)<=>C11H16(211) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3198; RMG #3198 -! Library reaction: restart -! Flux pairs: C7H9LR(212), C7H9LR(154); -! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-5R!H-R_Ext-7R!H-R_4R!H-inRing -C7H9LR(212)<=>C7H9LR(154) 6.090000e+08 0.695 15.986 - -! Reaction index: Chemkin #3199; RMG #3199 -! Library reaction: restart -! Flux pairs: C3H4R(78), C8H11R(213); C5H7(174), C8H11R(213); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C5H7(174)<=>C8H11R(213) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #3200; RMG #3200 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]CR(10), C8H14R(214); C5H8(173), C8H14R(214); -! From training reaction 275 used for Cds-HH_Cds-CdH;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C5H8(173)<=>C8H14R(214) 1.920000e+03 2.410 0.760 - -! Reaction index: Chemkin #3201; RMG #3201 -! Library reaction: restart -! Flux pairs: C7H9LR(212), C7H9LR(215); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R -C7H9LR(212)<=>C7H9LR(215) 4.825870e+53 -11.671 45.710 - -! Reaction index: Chemkin #3202; RMG #3202 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H6R(79), C8H13R2(216); C4H7R(60), C8H13R2(216); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H6R(79)+C4H7R(60)<=>C8H13R2(216) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #3203; RMG #3203 -! Library reaction: restart -! Flux pairs: C7H9LR(217), C7H9LR(215); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_1R!H-inRing_3R!H-inRing_Ext-5R!H-R -C7H9LR(217)<=>C7H9LR(215) 4.825870e+53 -11.671 43.097 - -! Reaction index: Chemkin #3204; RMG #3204 -! Library reaction: restart -! Flux pairs: C7H9LR(218), C7H9LR(212); -! Estimated from node Backbone4_N-Sp-5R!H-2R!H_Sp-2R!H-1R!H_N-3R!H-inRing_6R!H->C_Sp-3R!H-1R!H -C7H9LR(218)<=>C7H9LR(212) 5.228090e+01 2.741 14.849 - -! Reaction index: Chemkin #3205; RMG #3205 -! Library reaction: restart -! Flux pairs: C7H9LR(218), C7H9LR(217); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R -C7H9LR(218)<=>C7H9LR(217) 2.322560e-20 8.934 1.317 - -! Reaction index: Chemkin #3206; RMG #3206 -! Library reaction: restart -! Flux pairs: H(82), C3H5L(86); C3H4L(219), C3H5L(86); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C3H4L(219)<=>C3H5L(86) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #3207; RMG #3207 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+[CH2]C(C)CR(6)<=>C3H4L(219)+CC(C)CR(20) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3208; RMG #3208 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CR(10), CCCR(27); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C[CH]CR(10)<=>C3H4L(219)+CCCR(27) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3209; RMG #3209 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)L(4), CC(C)L(13); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+[CH2]C(C)L(4)<=>C3H4L(219)+CC(C)L(13) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3210; RMG #3210 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(86), C3H4L(219); C[CH]L(8), CCL(26); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C3H5L(86)<=>CCL(26)+C3H4L(219) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3211; RMG #3211 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C6H12L(11)<=>C3H4L(219)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3212; RMG #3212 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5L(86); C3H4L(219), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C[CH]CR(10)<=>C3H5R(12)+C3H5L(86) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3213; RMG #3213 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(86), C3H4L(219); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C3H5L(86)<=>CR(22)+C3H4L(219) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3214; RMG #3214 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C[CH]CC(C)CR(5)<=>C3H5L(86)+C6H11R(17) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #3215; RMG #3215 -! Library reaction: restart -! Flux pairs: [CH2]CC(195), C3H6(18); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+[CH2]CC(195)<=>C3H5L(86)+C3H6(18) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3216; RMG #3216 -! Library reaction: restart -! Flux pairs: C[CH]C(94), C3H6(18); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(219)+C[CH]C(94)<=>C3H5L(86)+C3H6(18) 2.451710e+27 -4.376 6.166 - -! Reaction index: Chemkin #3217; RMG #3217 -! Library reaction: restart -! Flux pairs: C3H4L(219), C3H5L(86); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C3H4L(219)<=>C2H3L(19)+C3H5L(86) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3218; RMG #3218 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C8H16L(15)<=>C3H5L(86)+C8H15L(21) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #3219; RMG #3219 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C[CH]CC(C)L(7)<=>C3H5L(86)+C5H9L(24) 1.225850e+27 -4.376 6.090 - -! Reaction index: Chemkin #3220; RMG #3220 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C[CH]CC(C)CR(5)<=>C3H5L(86)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3221; RMG #3221 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C[CH]CC(C)L(7)<=>C3H5L(86)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3222; RMG #3222 -! Library reaction: restart -! Flux pairs: C[CH]CR(10), C3H5R(58); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C[CH]CR(10)<=>C3H5L(86)+C3H5R(58) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3223; RMG #3223 -! Library reaction: restart -! Flux pairs: [CH2]C(C)L(4), C3H5L(86); C3H4L(219), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+[CH2]C(C)L(4)<=>C3H5L(59)+C3H5L(86) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3224; RMG #3224 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+[CH2]C(C)CR(6)<=>C3H5L(86)+C4H7R(60) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3225; RMG #3225 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C8H16L(15)<=>C3H5L(86)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3226; RMG #3226 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+C7H14R(9)<=>C3H5L(86)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3227; RMG #3227 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+C6H12L(11)<=>C3H5L(86)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3228; RMG #3228 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C10H20R(64)<=>C3H4L(219)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3229; RMG #3229 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(86), C3H4L(219); CH3(74), C(75); -! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C3H5L(86)<=>C(75)+C3H4L(219) 7.200000e-02 4.250 7.530 - -! Reaction index: Chemkin #3230; RMG #3230 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C5H9L(57)<=>C3H5L(86)+C5H8L(77) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #3231; RMG #3231 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C5H9L(84)<=>C3H5L(86)+C5H8L(77) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3232; RMG #3232 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(12), C3H5L(86); C3H4L(219), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C3H5R(12)<=>C3H4R(78)+C3H5L(86) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3233; RMG #3233 -! Template reaction: H_Abstraction -! Flux pairs: C3H5R(58), C3H5L(86); C3H4L(219), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C3H5R(58)<=>C3H4R(78)+C3H5L(86) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3234; RMG #3234 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(79); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C4H7R(60)<=>C3H5L(86)+C4H6R(79) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3235; RMG #3235 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H6R(79); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(219)+C4H7R(81)<=>C3H5L(86)+C4H6R(79) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3236; RMG #3236 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C7H15(85)<=>C3H4L(219)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3237; RMG #3237 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C9H17LR(67)<=>C3H4L(219)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3238; RMG #3238 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C9H17LR(70)<=>C3H4L(219)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3239; RMG #3239 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C[CH]CC(C)CR(5)<=>C3H4L(219)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3240; RMG #3240 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C7H14R(9)<=>C3H4L(219)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3241; RMG #3241 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C[CH]CC(C)L(7)<=>C3H4L(219)+CCCC(C)L(16) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3242; RMG #3242 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C3H4L(219), C3H5L(86); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+RC10L(1)<=>C3H5L(86)+C9H17LR(65) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #3243; RMG #3243 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C9H17LR(66)<=>C3H4L(219)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3244; RMG #3244 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C9H17LR(68)<=>C3H4L(219)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3245; RMG #3245 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C3H4L(219), C3H5L(86); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+RC10L(1)<=>C3H5L(86)+C9H17LR(69) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #3246; RMG #3246 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C9H17LR(71)<=>C3H4L(219)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3247; RMG #3247 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C3H4L(219), C3H5L(86); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+RC10L(1)<=>C3H5L(86)+C9H17LR(72) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #3248; RMG #3248 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C9H17LR(73)<=>C3H4L(219)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3249; RMG #3249 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C8H16L(15)<=>C3H4L(219)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3250; RMG #3250 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C5H9L(24)<=>C3H5L(86)+C5H8L(89) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3251; RMG #3251 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); C3H4L(219), C3H5L(86); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C5H9L(57)<=>C3H5L(86)+C5H8L(89) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3252; RMG #3252 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C6H11R(56)<=>C3H5L(86)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #3253; RMG #3253 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H11R(98)<=>C3H5L(86)+C6H10R(90) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3254; RMG #3254 -! Template reaction: H_Abstraction -! Flux pairs: CCC(95), C[CH]C(94); C3H4L(219), C3H5L(86); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+CCC(95)<=>C3H5L(86)+C[CH]C(94) 2.920000e-02 4.340 16.600 - -! Reaction index: Chemkin #3255; RMG #3255 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); C3H4L(219), C3H5L(86); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C3H6(18)<=>C3H5L(86)+C3H5(102) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3256; RMG #3256 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H11L(63)<=>C3H5L(86)+C6H10L(103) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3257; RMG #3257 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(219)+C6H11L(107)<=>C3H5L(86)+C6H10L(103) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3258; RMG #3258 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C7H13R(62)<=>C3H5L(86)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3259; RMG #3259 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(219)+C7H13R(120)<=>C3H5L(86)+C7H12R(108) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3260; RMG #3260 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C6H10(110)<=>C3H5L(86)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3261; RMG #3261 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H10(116)<=>C3H5L(86)+C6H9(114) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3262; RMG #3262 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C8H15L(61)<=>C3H5L(86)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #3263; RMG #3263 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C6H9(114)<=>C3H5L(86)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3264; RMG #3264 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C3H4L(219), C3H5L(86); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H8(118)<=>C3H5L(86)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #3265; RMG #3265 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C3H4L(219), C3H5L(86); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H8(125)<=>C3H5L(86)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #3266; RMG #3266 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C6H9(114)<=>C3H5L(86)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3267; RMG #3267 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(219)+C6H9(160)<=>C3H5L(86)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3268; RMG #3268 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(59), C3H5L(86); C3H4L(219), C3H4L(147); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C3H5L(59)<=>C3H4L(147)+C3H5L(86) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3269; RMG #3269 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5L(86)+C4H7(156)<=>C3H4L(219)+C4H8(157) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3270; RMG #3270 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H10(116)<=>C3H5L(86)+C6H9(160) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3271; RMG #3271 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C6H11L(107)<=>C3H5L(86)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #3272; RMG #3272 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H11R(17)<=>C3H5L(86)+C6H10R(171) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3273; RMG #3273 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C3H4L(219), C3H5L(86); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C6H11R(56)<=>C3H5L(86)+C6H10R(171) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3274; RMG #3274 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C5H8(173)<=>C3H5L(86)+C5H7(174) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3275; RMG #3275 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(219)+C5H8(180)<=>C3H5L(86)+C5H7(178) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3276; RMG #3276 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C10H15(183)<=>C3H5L(86)+C10H14(184) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3277; RMG #3277 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(219)+C5H7(178)<=>C3H5L(86)+C5H6(187) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3278; RMG #3278 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C3H4L(219), C3H5L(86); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C5H6(187)<=>C3H5L(86)+C5H5(189) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #3279; RMG #3279 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C8H13(191)<=>C3H5L(86)+C8H12(194) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3280; RMG #3280 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]CC(195), CCC(95); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+[CH2]CC(195)<=>C3H4L(219)+CCC(95) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3281; RMG #3281 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C7H13R(120)<=>C3H5L(86)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #3282; RMG #3282 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C10H13(202)<=>C3H5L(86)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3283; RMG #3283 -! Template reaction: H_Abstraction -! Flux pairs: CC(L)CC(C)L(35), C5H9L2(203); C3H4L(219), C3H5L(86); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+CC(L)CC(C)L(35)<=>C3H5L(86)+C5H9L2(203) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #3284; RMG #3284 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+C10H20L(76)<=>C3H4L(219)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3285; RMG #3285 -! Template reaction: H_Abstraction -! Flux pairs: C3H5L(86), C3H4L(219); H(82), [H][H](83); -! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C3H5L(86)<=>[H][H](83)+C3H4L(219) 3.360000e+03 3.140 4.290 - -! Reaction index: Chemkin #3286; RMG #3286 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H4L(219), C7H9LR(218); C4H5R(220), C7H9LR(218); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H4L(219)+C4H5R(220)<=>C7H9LR(218) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #3287; RMG #3287 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C7H9(221), C2H4(196); C7H9(221), C5H5(189); -! Matched reaction 13 C7H9-5 <=> C2H4 + C5H5 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] -! family: R_Addition_MultipleBond -C7H9(221)<=>C2H4(196)+C5H5(189) 1.870000e+11 0.680 13.900 - -! Reaction index: Chemkin #3288; RMG #3288 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5R(220), C9H12R(222); C5H7(174), C9H12R(222); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H5R(220)+C5H7(174)<=>C9H12R(222) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #3289; RMG #3289 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H8(157), C9H15(223); C5H7(174), C9H15(223); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H8(157)+C5H7(174)<=>C9H15(223) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #3290; RMG #3290 -! Library reaction: restart -! Flux pairs: H(82), C4H7R(60); C4H6R(224), C4H7R(60); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -! Multiplied by reaction path degeneracy 2.0 -H(82)+C4H6R(224)<=>C4H7R(60) 3.251960e+13 0.255 0.000 - -! Reaction index: Chemkin #3291; RMG #3291 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); C[CH]CR(10), CCCR(27); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C4H7R(60)<=>CCCR(27)+C4H6R(224) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3292; RMG #3292 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C4H7R(60)<=>CC(C)L(13)+C4H6R(224) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3293; RMG #3293 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); C[CH]L(8), CCL(26); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C4H7R(60)<=>CCL(26)+C4H6R(224) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3294; RMG #3294 -! Library reaction: restart -! Flux pairs: C4H6R(224), C4H7R(60); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C4H6R(224)<=>C3H5R(12)+C4H7R(60) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #3295; RMG #3295 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C4H7R(60)<=>CR(22)+C4H6R(224) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3296; RMG #3296 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(17) 2.451710e+27 -4.376 6.090 - -! Reaction index: Chemkin #3297; RMG #3297 -! Library reaction: restart -! Flux pairs: C4H6R(224), C4H7R(60); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -[CH2]CC(195)+C4H6R(224)<=>C3H6(18)+C4H7R(60) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3298; RMG #3298 -! Library reaction: restart -! Flux pairs: C4H6R(224), C4H7R(60); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C[CH]C(94)+C4H6R(224)<=>C3H6(18)+C4H7R(60) 4.903420e+27 -4.376 6.166 - -! Reaction index: Chemkin #3299; RMG #3299 -! Library reaction: restart -! Flux pairs: C4H6R(224), C4H7R(60); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C4H6R(224)<=>C2H3L(19)+C4H7R(60) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #3300; RMG #3300 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C8H16L(15)<=>C4H7R(60)+C8H15L(21) 2.451710e+27 -4.376 6.090 - -! Reaction index: Chemkin #3301; RMG #3301 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(24) 2.451710e+27 -4.376 6.090 - -! Reaction index: Chemkin #3302; RMG #3302 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C[CH]CC(C)CR(5)<=>C4H7R(60)+C6H11R(56) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3303; RMG #3303 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C[CH]CC(C)L(7)<=>C4H7R(60)+C5H9L(57) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3304; RMG #3304 -! Library reaction: restart -! Flux pairs: C4H6R(224), C4H7R(60); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C[CH]CR(10)+C4H6R(224)<=>C3H5R(58)+C4H7R(60) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3305; RMG #3305 -! Library reaction: restart -! Flux pairs: C4H6R(224), C4H7R(60); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C4H6R(224)<=>C3H5L(59)+C4H7R(60) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #3306; RMG #3306 -! Library reaction: restart -! Flux pairs: [CH2]C(C)CR(6), C4H7R(60); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7R(60) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #3307; RMG #3307 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+C7H14R(9)<=>C4H7R(60)+C7H13R(62) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #3308; RMG #3308 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+C6H12L(11)<=>C4H7R(60)+C6H11L(63) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #3309; RMG #3309 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C10H20R(64)<=>C4H6R(224)+RC10(2) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3310; RMG #3310 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C[CH]CC(C)L(7)<=>C4H6R(224)+CCCC(C)L(16) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3311; RMG #3311 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C8H16L(15)<=>C4H7R(60)+C8H15L(61) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3312; RMG #3312 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(65)<=>C4H6R(224)+RC10L(1) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #3313; RMG #3313 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+[CH2]C(C)CR(6)<=>C4H6R(224)+CC(C)CR(20) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3314; RMG #3314 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C[CH]CC(C)CR(5)<=>C4H6R(224)+CCCC(C)CR(32) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3315; RMG #3315 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C7H14R(9)<=>C4H6R(224)+CC(C)CC(C)CR(23) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3316; RMG #3316 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C6H12L(11)<=>C4H6R(224)+CC(C)CC(C)L(25) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3317; RMG #3317 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C8H16L(15)<=>C4H6R(224)+C8H17L(49) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3318; RMG #3318 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(66)<=>C4H6R(224)+RC10L(1) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3319; RMG #3319 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(67)<=>C4H6R(224)+RC10L(1) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3320; RMG #3320 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(68)<=>C4H6R(224)+RC10L(1) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3321; RMG #3321 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(69)<=>C4H6R(224)+RC10L(1) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #3322; RMG #3322 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(70)<=>C4H6R(224)+RC10L(1) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3323; RMG #3323 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(71)<=>C4H6R(224)+RC10L(1) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3324; RMG #3324 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(72)<=>C4H6R(224)+RC10L(1) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #3325; RMG #3325 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C9H17LR(73)<=>C4H6R(224)+RC10L(1) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3326; RMG #3326 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); CH3(74), C(75); -! From training reaction 760 used for C/H3/Cd\Cs_Cd\H2;C_methyl -! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C4H7R(60)<=>C(75)+C4H6R(224) 5.940000e-02 4.260 7.550 - -! Reaction index: Chemkin #3327; RMG #3327 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C4H7R(60), C4H6R(224); -! Estimated using average of templates [C/H3/Cd;C_rad/H/NonDeC] + [C/H3/Cd\Cs_Cd\H2;C_sec_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C10H20L(76)<=>C4H6R(224)+LC10(3) 1.200370e-04 4.665 5.150 - -! Reaction index: Chemkin #3328; RMG #3328 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C5H9L(57)<=>C4H7R(60)+C5H8L(77) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #3329; RMG #3329 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(84), C5H8L(77); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C5H9L(84)<=>C4H7R(60)+C5H8L(77) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3330; RMG #3330 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(224), C4H7R(60); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H5R(12)+C4H6R(224)<=>C3H4R(78)+C4H7R(60) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3331; RMG #3331 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(224), C4H7R(60); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5R(58)+C4H6R(224)<=>C3H4R(78)+C4H7R(60) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3332; RMG #3332 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H7R(60); C4H6R(224), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C4H7R(60)<=>C4H6R(79)+C4H7R(60) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3333; RMG #3333 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(81), C4H7R(60); C4H6R(224), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C4H6R(224)+C4H7R(81)<=>C4H6R(79)+C4H7R(60) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #3334; RMG #3334 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); H(82), [H][H](83); -! From training reaction 759 used for C/H3/Cd\Cs_Cd\H2;H_rad -! Exact match found for rate rule [C/H3/Cd\Cs_Cd\H2;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C4H7R(60)<=>[H][H](83)+C4H6R(224) 2.514000e+03 3.180 4.370 - -! Reaction index: Chemkin #3335; RMG #3335 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C7H15(85)<=>C4H6R(224)+CC(C)CC(C)C(87) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3336; RMG #3336 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(24), C5H8L(89); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C5H9L(24)<=>C4H7R(60)+C5H8L(89) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3337; RMG #3337 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(89); C4H6R(224), C4H7R(60); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C5H9L(57)<=>C4H7R(60)+C5H8L(89) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3338; RMG #3338 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C6H11R(56)<=>C4H7R(60)+C6H10R(90) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #3339; RMG #3339 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(98), C6H10R(90); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H11R(98)<=>C4H7R(60)+C6H10R(90) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3340; RMG #3340 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); C[CH]C(94), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]C(94)+C4H7R(60)<=>CCC(95)+C4H6R(224) 1.008000e-03 4.340 4.700 - -! Reaction index: Chemkin #3341; RMG #3341 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(224), C4H7R(60); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H6(18)+C4H6R(224)<=>C3H5(102)+C4H7R(60) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3342; RMG #3342 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(63), C6H10L(103); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H11L(63)<=>C4H7R(60)+C6H10L(103) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3343; RMG #3343 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(103); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C4H6R(224)+C6H11L(107)<=>C4H7R(60)+C6H10L(103) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #3344; RMG #3344 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(62), C7H12R(108); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C7H13R(62)<=>C4H7R(60)+C7H12R(108) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3345; RMG #3345 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(108); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -C4H6R(224)+C7H13R(120)<=>C4H7R(60)+C7H12R(108) 1.740000e-02 4.340 13.600 - -! Reaction index: Chemkin #3346; RMG #3346 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C8H15L(61)<=>C4H7R(60)+C8H14L(112) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #3347; RMG #3347 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C6H10(110)<=>C4H7R(60)+C6H9(113) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3348; RMG #3348 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(114); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H10(116)<=>C4H7R(60)+C6H9(114) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3349; RMG #3349 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C6H9(114)<=>C4H7R(60)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3350; RMG #3350 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(123); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H8(118)<=>C4H7R(60)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #3351; RMG #3351 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H7(123); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H8(125)<=>C4H7R(60)+C6H7(123) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #3352; RMG #3352 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C6H9(114)<=>C4H7R(60)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3353; RMG #3353 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C4H6R(224)+C6H9(160)<=>C4H7R(60)+C6H8(125) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #3354; RMG #3354 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(224), C4H7R(60); C3H5L(59), C3H4L(147); -! Estimated using average of templates [C/H3/Cd;C_rad/H2/Cd] + [C/H3/Cd\Cs_Cd\H2;C_pri_rad] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5L(59)+C4H6R(224)<=>C3H4L(147)+C4H7R(60) 6.617840e-04 4.615 8.960 - -! Reaction index: Chemkin #3355; RMG #3355 -! Template reaction: H_Abstraction -! Flux pairs: C4H7(156), C4H8(157); C4H7R(60), C4H6R(224); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(60)+C4H7(156)<=>C4H6R(224)+C4H8(157) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3356; RMG #3356 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(116), C6H9(160); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H10(116)<=>C4H7R(60)+C6H9(160) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3357; RMG #3357 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C6H11L(107)<=>C4H7R(60)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #3358; RMG #3358 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(17), C6H10R(171); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H11R(17)<=>C4H7R(60)+C6H10R(171) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3359; RMG #3359 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(171); C4H6R(224), C4H7R(60); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C6H11R(56)<=>C4H7R(60)+C6H10R(171) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3360; RMG #3360 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C5H8(173)<=>C4H7R(60)+C5H7(174) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3361; RMG #3361 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(180), C5H7(178); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C4H6R(224)+C5H8(180)<=>C4H7R(60)+C5H7(178) 3.616000e-02 4.340 11.200 - -! Reaction index: Chemkin #3362; RMG #3362 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C10H15(183)<=>C4H7R(60)+C10H14(184) 2.451710e+27 -4.376 8.429 - -! Reaction index: Chemkin #3363; RMG #3363 -! Library reaction: restart -! Flux pairs: C5H7(178), C5H6(187); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 8.0 -C4H6R(224)+C5H7(178)<=>C4H7R(60)+C5H6(187) 6.191740e+12 0.025 0.000 - -! Reaction index: Chemkin #3364; RMG #3364 -! Template reaction: H_Abstraction -! Flux pairs: C5H6(187), C5H5(189); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C5H6(187)<=>C4H7R(60)+C5H5(189) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #3365; RMG #3365 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C8H13(191)<=>C4H7R(60)+C8H12(194) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #3366; RMG #3366 -! Template reaction: H_Abstraction -! Flux pairs: C4H7R(60), C4H6R(224); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C4H7R(60)<=>CCC(95)+C4H6R(224) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #3367; RMG #3367 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C7H13R(120)<=>C4H7R(60)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #3368; RMG #3368 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C10H13(202)<=>C4H7R(60)+C10H12(201) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3369; RMG #3369 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C10H14(179)<=>C4H7R(60)+C10H13(202) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3370; RMG #3370 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+C5H9L2(203)<=>C4H6R(224)+CC(L)CC(C)L(35) 4.320000e-05 4.520 1.460 - -! Reaction index: Chemkin #3371; RMG #3371 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(224), C4H7R(60); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5L(86)+C4H6R(224)<=>C3H4L(219)+C4H7R(60) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3372; RMG #3372 -! Library reaction: restart -! Flux pairs: C4H6R(224), RC[C]1CC1(225); -! Estimated from node Backbone0 -C4H6R(224)<=>RC[C]1CC1(225) 1.014560e+05 2.304 29.598 - -! Reaction index: Chemkin #3373; RMG #3373 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C11H15(226); C6H8(118), C11H15(226); -! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H7(174)+C6H8(118)<=>C11H15(226) 2.880000e+01 2.740 3.300 - -! Reaction index: Chemkin #3374; RMG #3374 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(81), C9H14R(227); C5H7(174), C9H14R(227); -! From training reaction 457 used for Cds-CsH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-CsH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H7R(81)+C5H7(174)<=>C9H14R(227) 2.680000e+04 2.410 12.700 - -! Reaction index: Chemkin #3375; RMG #3375 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H6R(224), C9H13LR(228); C5H7L(104), C9H13LR(228); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H6R(224)+C5H7L(104)<=>C9H13LR(228) 5.640000e+04 2.410 8.390 - -! Reaction index: Chemkin #3376; RMG #3376 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H16(229); C6H9(160), C11H16(229); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C6H9(160)<=>C11H16(229) 7.071720e+16 -1.003 0.000 - -! Reaction index: Chemkin #3377; RMG #3377 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H3L(19), C7H10L(230); C5H7(174), C7H10L(230); -! From training reaction 6 used for Cds-HH_Cds-CsH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C2H3L(19)+C5H7(174)<=>C7H10L(230) 1.310000e+03 2.620 10.900 - -! Reaction index: Chemkin #3378; RMG #3378 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C9H15(231); C6H9(160), C9H15(231); -! From training reaction 242 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H6(18)+C6H9(160)<=>C9H15(231) 7.720000e+03 2.410 11.370 - -! Reaction index: Chemkin #3379; RMG #3379 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C10H16R(232); C6H9(161), C10H16R(232); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H7R(60)+C6H9(161)<=>C10H16R(232) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #3380; RMG #3380 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C11H15(233); C6H8(125), C11H15(233); -! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H7(174)+C6H8(125)<=>C11H15(233) 2.880000e+01 2.740 3.300 - -! Reaction index: Chemkin #3381; RMG #3381 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C11H15(234); C6H8(125), C11H15(234); -! From training reaction 493 used for Cds-CsH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-CsH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7(174)+C6H8(125)<=>C11H15(234) 2.720000e+04 2.410 9.870 - -! Reaction index: Chemkin #3382; RMG #3382 -! Library reaction: restart -! Flux pairs: H(82), C11H16(229); C11H15(234), C11H16(229); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C11H15(234)<=>C11H16(229) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #3383; RMG #3383 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H15(234)<=>C3H5R(12)+C11H16(229) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #3384; RMG #3384 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H15(234)<=>C6H11R(17)+C11H16(229) 1.225850e+27 -4.376 7.433 - -! Reaction index: Chemkin #3385; RMG #3385 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C11H15(234)<=>C3H6(18)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3386; RMG #3386 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C11H15(234)<=>C3H6(18)+C11H16(229) 2.451710e+27 -4.376 7.519 - -! Reaction index: Chemkin #3387; RMG #3387 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H15(234)<=>C2H3L(19)+C11H16(229) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #3388; RMG #3388 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H15(234)<=>C8H15L(21)+C11H16(229) 1.225850e+27 -4.376 7.433 - -! Reaction index: Chemkin #3389; RMG #3389 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H15(234)<=>C5H9L(24)+C11H16(229) 1.225850e+27 -4.376 7.433 - -! Reaction index: Chemkin #3390; RMG #3390 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C11H15(234)<=>C6H11R(56)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3391; RMG #3391 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C11H15(234)<=>C5H9L(57)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3392; RMG #3392 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C11H15(234)<=>C3H5R(58)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3393; RMG #3393 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C11H15(234)<=>C3H5L(59)+C11H16(229) 5.258140e+13 -0.550 0.110 - -! Reaction index: Chemkin #3394; RMG #3394 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C11H15(234)<=>C4H7R(60)+C11H16(229) 5.258140e+13 -0.550 0.110 - -! Reaction index: Chemkin #3395; RMG #3395 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C11H15(234)<=>C8H15L(61)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3396; RMG #3396 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C11H15(234)<=>C7H13R(62)+C11H16(229) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3397; RMG #3397 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C11H15(234)<=>C6H11L(63)+C11H16(229) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3398; RMG #3398 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H15(234)<=>C6H8(118)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3399; RMG #3399 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C11H15(234)<=>C5H8L(77)+C11H16(229) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3400; RMG #3400 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C11H16(229)<=>C5H9L(84)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3401; RMG #3401 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C11H16(229)<=>C3H5R(12)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3402; RMG #3402 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C11H16(229)<=>C3H5R(58)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3403; RMG #3403 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C11H16(229)<=>C4H7R(60)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3404; RMG #3404 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C11H16(229)<=>C4H7R(81)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3405; RMG #3405 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C11H15(234)<=>C3H5(102)+C11H16(229) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3406; RMG #3406 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C11H15(234)<=>C6H9(113)+C11H16(229) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3407; RMG #3407 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C11H15(234)<=>C6H9(114)+C11H16(229) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3408; RMG #3408 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H15(234)<=>C6H8(125)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3409; RMG #3409 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C11H15(234)<=>C6H8(125)+C11H16(229) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3410; RMG #3410 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C11H16(229)<=>C3H5L(59)+C11H15(234) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3411; RMG #3411 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C11H15(234)<=>C6H9(160)+C11H16(229) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3412; RMG #3412 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C11H15(234)<=>C5H7(174)+C11H16(229) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3413; RMG #3413 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C11H15(234)<=>C5H7(178)+C11H16(229) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #3414; RMG #3414 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C10H15(183), C10H14(184); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H15(183)+C11H15(234)<=>C10H14(184)+C11H16(229) 1.225850e+27 -4.376 10.059 - -! Reaction index: Chemkin #3415; RMG #3415 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C11H15(234)<=>C5H6(187)+C11H16(229) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3416; RMG #3416 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C11H15(234)<=>C8H12(194)+C11H16(229) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #3417; RMG #3417 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C11H15(234)<=>C10H12(201)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3418; RMG #3418 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C11H16(229)<=>C5H9L(24)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3419; RMG #3419 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C11H16(229)<=>C5H9L(57)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3420; RMG #3420 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H11R(56), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C11H15(234)<=>C6H10R(90)+C11H16(229) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3421; RMG #3421 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C6H10R(90), C6H11R(98); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C11H16(229)<=>C6H11R(98)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3422; RMG #3422 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C6H10L(103), C6H11L(63); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C11H16(229)<=>C6H11L(63)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3423; RMG #3423 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C11H16(229)<=>C6H11L(107)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3424; RMG #3424 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C7H12R(108), C7H13R(62); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C11H16(229)<=>C7H13R(62)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3425; RMG #3425 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C7H12R(108), C7H13R(120); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C11H16(229)<=>C7H13R(120)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3426; RMG #3426 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H11L(107), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C11H15(234)<=>C6H10L(169)+C11H16(229) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3427; RMG #3427 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C7H13R(120), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C11H15(234)<=>C7H12R(199)+C11H16(229) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #3428; RMG #3428 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C11H16(229)<=>C4H7R(60)+C11H15(234) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3429; RMG #3429 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C11H15(234)<=>C9H17LR(65)+C11H16(229) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #3430; RMG #3430 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C11H15(234)<=>C9H17LR(69)+C11H16(229) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #3431; RMG #3431 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3432; RMG #3432 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3433; RMG #3433 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C11H15(234)<=>C9H17LR(72)+C11H16(229) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #3434; RMG #3434 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3435; RMG #3435 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3436; RMG #3436 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3437; RMG #3437 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C11H16(229)<=>RC10L(1)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3438; RMG #3438 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C11H16(229)<=>CC(C)L(13)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3439; RMG #3439 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C11H16(229)<=>CCCC(C)L(16)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3440; RMG #3440 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C6H10R(171), C6H11R(17); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C11H16(229)<=>C6H11R(17)+C11H15(234) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #3441; RMG #3441 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C11H16(229)<=>CC(C)CR(20)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3442; RMG #3442 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C11H16(229)<=>CR(22)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3443; RMG #3443 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+C11H16(229)<=>CC(C)CC(C)CR(23)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3444; RMG #3444 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C11H16(229)<=>CC(C)CC(C)L(25)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3445; RMG #3445 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C11H16(229)<=>CCL(26)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3446; RMG #3446 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C11H16(229)<=>CCCR(27)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3447; RMG #3447 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C11H16(229)<=>CCCC(C)CR(32)+C11H15(234) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3448; RMG #3448 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C11H16(229)<=>C6H11R(56)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3449; RMG #3449 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C11H15(234)<=>CH3(74)+C11H16(229) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #3450; RMG #3450 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C11H15(234)<=>C[CH]C(94)+C11H16(229) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #3451; RMG #3451 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C11H16(229)<=>CCC(95)+C11H15(234) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3452; RMG #3452 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C11H15(234)<=>C6H7(123)+C11H16(229) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #3453; RMG #3453 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C11H15(234)<=>C6H7(123)+C11H16(229) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #3454; RMG #3454 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C11H16(229)<=>C4H8(157)+C11H15(234) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #3455; RMG #3455 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7(174), C10H15(235); C5H8(173), C10H15(235); -! From training reaction 475 used for Cds-CsH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-CsH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7(174)+C5H8(173)<=>C10H15(235) 2.380000e+04 2.410 10.290 - -! Reaction index: Chemkin #3456; RMG #3456 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C8H11LR(236); C4H6R(224), C8H11LR(236); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C4H6R(224)<=>C8H11LR(236) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #3457; RMG #3457 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C7H12L(237); C4H7(156), C7H12L(237); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C4H7(156)<=>C7H12L(237) 5.580000e+04 2.410 11.220 - -! Reaction index: Chemkin #3458; RMG #3458 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H8(173), C11H17(238); C6H9(113), C11H17(238); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H8(173)+C6H9(113)<=>C11H17(238) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #3459; RMG #3459 -! Template reaction: R_Recombination -! Flux pairs: H(82), C6H8(118); C6H7(239), C6H8(118); -! Matched reaction 15 C6H7-3 + H <=> C6H8-4 in R_Recombination/training -! This reaction matched rate rule [Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H] -! family: R_Recombination -H(82)+C6H7(239)<=>C6H8(118) 3.156000e+12 0.461 -0.001 - -! Reaction index: Chemkin #3460; RMG #3460 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H8(118)<=>CC(C)CR(20)+C6H7(239) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3461; RMG #3461 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C[CH]CR(10), CCCR(27); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C6H8(118)<=>CCCR(27)+C6H7(239) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3462; RMG #3462 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C[CH]CC(C)CR(5)<=>C6H7(239)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3463; RMG #3463 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H8(118)<=>CC(C)L(13)+C6H7(239) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3464; RMG #3464 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C7H14R(9)<=>C6H7(239)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3465; RMG #3465 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H8(118)<=>CCCC(C)L(16)+C6H7(239) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3466; RMG #3466 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C[CH]L(8), CCL(26); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C6H8(118)<=>CCL(26)+C6H7(239) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3467; RMG #3467 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H12L(11)<=>C6H7(239)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3468; RMG #3468 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H7(239)<=>C3H5R(12)+C6H8(118) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #3469; RMG #3469 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C6H8(118)<=>CR(22)+C6H7(239) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3470; RMG #3470 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(17) 1.225850e+27 -4.376 8.002 - -! Reaction index: Chemkin #3471; RMG #3471 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H7(239)<=>C3H6(18)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3472; RMG #3472 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H7(239)<=>C3H6(18)+C6H8(118) 2.451710e+27 -4.376 8.092 - -! Reaction index: Chemkin #3473; RMG #3473 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H7(239)<=>C2H3L(19)+C6H8(118) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #3474; RMG #3474 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C8H16L(15)<=>C6H8(118)+C8H15L(21) 1.225850e+27 -4.376 8.002 - -! Reaction index: Chemkin #3475; RMG #3475 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(24)+C6H8(118) 1.225850e+27 -4.376 8.002 - -! Reaction index: Chemkin #3476; RMG #3476 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(118)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3477; RMG #3477 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(57)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3478; RMG #3478 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H7(239)<=>C3H5R(58)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3479; RMG #3479 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H7(239)<=>C3H5L(59)+C6H8(118) 7.830000e+11 0.000 0.211 - -! Reaction index: Chemkin #3480; RMG #3480 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H7(239)<=>C4H7R(60)+C6H8(118) 7.830000e+11 0.000 0.211 - -! Reaction index: Chemkin #3481; RMG #3481 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C8H16L(15)<=>C6H8(118)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3482; RMG #3482 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H7(239)+C7H14R(9)<=>C6H8(118)+C7H13R(62) 7.830000e+11 0.000 0.172 - -! Reaction index: Chemkin #3483; RMG #3483 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H7(239)+C6H12L(11)<=>C6H8(118)+C6H11L(63) 7.830000e+11 0.000 0.172 - -! Reaction index: Chemkin #3484; RMG #3484 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(65)<=>C6H7(239)+RC10L(1) 2.568460e-04 4.418 3.856 - -! Reaction index: Chemkin #3485; RMG #3485 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(66)<=>C6H7(239)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3486; RMG #3486 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(67)<=>C6H7(239)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3487; RMG #3487 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(68)<=>C6H7(239)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3488; RMG #3488 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(69)<=>C6H7(239)+RC10L(1) 2.568460e-04 4.418 3.856 - -! Reaction index: Chemkin #3489; RMG #3489 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(70)<=>C6H7(239)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3490; RMG #3490 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(71)<=>C6H7(239)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3491; RMG #3491 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(72)<=>C6H7(239)+RC10L(1) 2.568460e-04 4.418 3.856 - -! Reaction index: Chemkin #3492; RMG #3492 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C9H17LR(73)<=>C6H7(239)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3493; RMG #3493 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); CH3(74), C(75); -! Estimated using template [C/H3/Cd;C_methyl] for rate rule [2_methyl_CPD;C_methyl] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C6H8(118)<=>C(75)+C6H7(239) 6.752800e-02 4.253 7.537 - -! Reaction index: Chemkin #3494; RMG #3494 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H8L(77), C5H9L(57); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(77)+C6H8(118)<=>C5H9L(57)+C6H7(239) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #3495; RMG #3495 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H8L(77), C5H9L(84); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(77)+C6H8(118)<=>C5H9L(84)+C6H7(239) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3496; RMG #3496 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C3H4R(78), C3H5R(12); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C6H8(118)<=>C3H5R(12)+C6H7(239) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3497; RMG #3497 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C3H4R(78), C3H5R(58); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C6H8(118)<=>C3H5R(58)+C6H7(239) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3498; RMG #3498 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C4H6R(79), C4H7R(60); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C6H8(118)<=>C4H7R(60)+C6H7(239) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3499; RMG #3499 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C4H6R(79), C4H7R(81); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C6H8(118)<=>C4H7R(81)+C6H7(239) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3500; RMG #3500 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C7H15(85)<=>C6H7(239)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3501; RMG #3501 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H8L(89), C5H9L(24); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(89)+C6H8(118)<=>C5H9L(24)+C6H7(239) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3502; RMG #3502 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H8L(89), C5H9L(57); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(89)+C6H8(118)<=>C5H9L(57)+C6H7(239) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3503; RMG #3503 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(56); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10R(90)<=>C6H7(239)+C6H11R(56) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #3504; RMG #3504 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10R(90)<=>C6H7(239)+C6H11R(98) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3505; RMG #3505 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C[CH]C(94), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H/Cs\H3/Cs\H3] for rate rule [2_methyl_CPD;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]C(94)+C6H8(118)<=>CCC(95)+C6H7(239) 1.008000e-03 4.340 4.700 - -! Reaction index: Chemkin #3506; RMG #3506 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C3H5(102), C3H6(18); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H5(102)+C6H8(118)<=>C3H6(18)+C6H7(239) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3507; RMG #3507 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10L(103)<=>C6H7(239)+C6H11L(63) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3508; RMG #3508 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10L(103)<=>C6H7(239)+C6H11L(107) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3509; RMG #3509 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C7H12R(108)<=>C6H7(239)+C7H13R(62) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3510; RMG #3510 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C7H12R(108)<=>C6H7(239)+C7H13R(120) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3511; RMG #3511 -! Template reaction: H_Abstraction -! Flux pairs: C8H14L(112), C8H15L(61); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C8H14L(112)<=>C6H7(239)+C8H15L(61) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #3512; RMG #3512 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C6H7(239), C6H8(118); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H7(239)+C6H10(110)<=>C6H8(118)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3513; RMG #3513 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H9(114)<=>C6H7(239)+C6H10(116) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3514; RMG #3514 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(118)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3515; RMG #3515 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C8H16L(15)<=>C6H7(239)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3516; RMG #3516 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C10H20R(64)<=>C6H7(239)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3517; RMG #3517 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [2_methyl_CPD;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C10H20L(76)<=>C6H7(239)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #3518; RMG #3518 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); H(82), [H][H](83); -! Estimated using template [C/H3/Cd;H_rad] for rate rule [2_methyl_CPD;H_rad] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C6H8(118)<=>[H][H](83)+C6H7(239) 3.050340e+03 3.153 4.317 - -! Reaction index: Chemkin #3519; RMG #3519 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H8(118); C6H7(123), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCd] for rate rule [2_methyl_CPD;C_rad/H/CdCd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H7(123)+C6H8(118)<=>C6H7(239)+C6H8(118) 6.780000e-03 4.340 19.700 - -! Reaction index: Chemkin #3520; RMG #3520 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H8(125); C6H7(123), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCd] for rate rule [2_methyl_CPD;C_rad/H/CdCd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H7(123)+C6H8(118)<=>C6H7(239)+C6H8(125) 6.780000e-03 4.340 19.700 - -! Reaction index: Chemkin #3521; RMG #3521 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(118)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3522; RMG #3522 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(239)+C6H9(160)<=>C6H8(118)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3523; RMG #3523 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C3H4L(147), C3H5L(59); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C6H8(118)<=>C3H5L(59)+C6H7(239) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3524; RMG #3524 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7(156)+C6H8(118)<=>C4H8(157)+C6H7(239) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3525; RMG #3525 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H8(118)+C6H9(160)<=>C6H7(239)+C6H10(116) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #3526; RMG #3526 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(169), C6H11L(107); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10L(169)<=>C6H7(239)+C6H11L(107) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #3527; RMG #3527 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10R(171)<=>C6H7(239)+C6H11R(17) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3528; RMG #3528 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10R(171)<=>C6H7(239)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3529; RMG #3529 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(118); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H7(239)<=>C5H7(174)+C6H8(118) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3530; RMG #3530 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H7(178), C5H8(180); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H7(178)+C6H8(118)<=>C5H8(180)+C6H7(239) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #3531; RMG #3531 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C10H15(183)<=>C6H8(118)+C10H14(184) 1.225850e+27 -4.376 10.743 - -! Reaction index: Chemkin #3532; RMG #3532 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H7(239)<=>C5H6(187)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3533; RMG #3533 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H5(189), C5H6(187); -! Estimated using template [C/H3/Cd;C_rad/H/CdCd] for rate rule [2_methyl_CPD;C_rad/H/CdCd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 15.0 -! family: H_Abstraction -C5H5(189)+C6H8(118)<=>C5H6(187)+C6H7(239) 1.695000e-02 4.340 19.700 - -! Reaction index: Chemkin #3534; RMG #3534 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C8H13(191)<=>C6H8(118)+C8H12(194) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #3535; RMG #3535 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C6H8(118)<=>CCC(95)+C6H7(239) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #3536; RMG #3536 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(120); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C7H12R(199)<=>C6H7(239)+C7H13R(120) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #3537; RMG #3537 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H13(202)<=>C6H8(118)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3538; RMG #3538 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C10H13(202)<=>C6H7(239)+C10H14(179) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3539; RMG #3539 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated using template [C/H3/Cd;C_rad/Cs3] for rate rule [2_methyl_CPD;C_rad/Cs3] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H9L2(203)+C6H8(118)<=>CC(L)CC(C)L(35)+C6H7(239) 2.568460e-04 4.418 3.856 - -! Reaction index: Chemkin #3540; RMG #3540 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C3H4L(219), C3H5L(86); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C6H8(118)<=>C3H5L(86)+C6H7(239) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #3541; RMG #3541 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C4H6R(224), C4H7R(60); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [2_methyl_CPD;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C6H8(118)<=>C4H7R(60)+C6H7(239) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #3542; RMG #3542 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C11H15(234)<=>C6H7(239)+C11H16(229) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #3543; RMG #3543 -! Library reaction: restart -! Flux pairs: C4H6R(224), C10H13R(240); C6H7(239), C10H13R(240); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+C6H7(239)<=>C10H13R(240) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3544; RMG #3544 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H12L(241); C6H7(239), C9H12L(241); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H7(239)<=>C9H12L(241) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #3545; RMG #3545 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H4(196), C8H11(242); C6H7(239), C8H11(242); -! From training reaction 13 used for Cds-HH_Cds-HH;CsJ-CdCdH -! Exact match found for rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -! Ea raised from 19.0 to 20.1 kJ/mol to match endothermicity of reaction. -! Ea raised from 20.1 to 20.1 kJ/mol to match endothermicity of reaction. -C2H4(196)+C6H7(239)<=>C8H11(242) 2.971820e+02 2.951 4.811 - -! Reaction index: Chemkin #3546; RMG #3546 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H12L(243); C6H7(239), C10H12L(243); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H7(239)<=>C10H12L(243) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #3547; RMG #3547 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H14(244); C6H7(239), C12H14(244); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H7(239)<=>C12H14(244) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #3548; RMG #3548 -! Library reaction: restart -! Flux pairs: C9H12L(241), C9H12L(245); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C9H12L(241)<=>C9H12L(245) 1.260000e+11 0.160 5.938 - -! Reaction index: Chemkin #3549; RMG #3549 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H14(246); C6H7(239), C11H14(246); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H7(239)<=>C11H14(246) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3550; RMG #3550 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C10H14R(247); C6H7(239), C10H14R(247); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H7R(60)+C6H7(239)<=>C10H14R(247) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #3551; RMG #3551 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H14L(248); C6H7(239), C11H14L(248); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H7(239)<=>C11H14L(248) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #3552; RMG #3552 -! Library reaction: restart -! Flux pairs: C10H12L(243), C10H12L(249); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C10H12L(243)<=>C10H12L(249) 1.260000e+11 0.160 11.046 - -! Reaction index: Chemkin #3553; RMG #3553 -! Library reaction: restart -! Flux pairs: C10H14R(247), C10H14R(250); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C10H14R(247)<=>C10H14R(250) 1.260000e+11 0.160 5.938 - -! Reaction index: Chemkin #3554; RMG #3554 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H14(251); C6H7(239), C11H14(251); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H7(239)<=>C11H14(251) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3555; RMG #3555 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H7(123); C6H6(252), C6H7(123); -! Matched reaction 63 C6H6 + H <=> C6H7-4 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-HH_Cds-CdCd;HJ] -! family: R_Addition_MultipleBond -H(82)+C6H6(252)<=>C6H7(123) 1.031000e+09 1.339 -0.477 - -! Reaction index: Chemkin #3556; RMG #3556 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C6H7(123)<=>C5H8(173)+C6H6(252) 2.451710e+27 -4.376 12.126 - -! Reaction index: Chemkin #3557; RMG #3557 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C6H7(123)<=>C5H8(180)+C6H6(252) 2.451710e+27 -4.376 11.389 - -! Reaction index: Chemkin #3558; RMG #3558 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H7(239); C6H6(252), C6H7(239); -! Matched reaction 66 C6H6-4 + H <=> C6H7-7 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-CdH_Cds-CdH_cyc5_2;HJ] -! family: R_Addition_MultipleBond -H(82)+C6H6(252)<=>C6H7(239) 2.022000e+09 1.369 2.244 - -! Reaction index: Chemkin #3559; RMG #3559 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C6H7(239)<=>CCL(26)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3560; RMG #3560 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H7(239)<=>C5H9L(57)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3561; RMG #3561 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H7(239)<=>C5H9L(84)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3562; RMG #3562 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C6H7(123)<=>C3H5R(12)+C6H6(252) 1.225850e+27 -4.376 10.481 - -! Reaction index: Chemkin #3563; RMG #3563 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C6H7(123)<=>C3H5R(58)+C6H6(252) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3564; RMG #3564 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H7(239)<=>C3H5R(12)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3565; RMG #3565 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H7(239)<=>C3H5R(58)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3566; RMG #3566 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H7(239)<=>C4H7R(60)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3567; RMG #3567 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H7(239)<=>C4H7R(81)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3568; RMG #3568 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(90)<=>C6H6(252)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3569; RMG #3569 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(90)<=>C6H6(252)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3570; RMG #3570 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C6H7(239)<=>C3H6(18)+C6H6(252) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3571; RMG #3571 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(113)<=>C6H6(252)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3572; RMG #3572 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C6H7(239)<=>C3H5L(59)+C6H6(252) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3573; RMG #3573 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C6H7(239)<=>C4H8(157)+C6H6(252) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3574; RMG #3574 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C6H7(239)<=>C5H8(173)+C6H6(252) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3575; RMG #3575 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C6H7(239)<=>C5H6(187)+C6H6(252) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #3576; RMG #3576 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C6H7(239)<=>C4H7R(60)+C6H6(252) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3577; RMG #3577 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H7(239)<=>C6H6(252)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3578; RMG #3578 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H7(239)<=>C5H9L(24)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3579; RMG #3579 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H7(239)<=>C5H9L(57)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3580; RMG #3580 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10L(103)<=>C6H6(252)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3581; RMG #3581 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10L(103)<=>C6H6(252)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3582; RMG #3582 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C7H12R(108)<=>C6H6(252)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3583; RMG #3583 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C7H12R(108)<=>C6H6(252)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3584; RMG #3584 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H6(252)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3585; RMG #3585 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(239)+C6H9(160)<=>C6H6(252)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3586; RMG #3586 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10L(169)<=>C6H6(252)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3587; RMG #3587 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H7(239)<=>C5H8(180)+C6H6(252) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3588; RMG #3588 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C7H12R(199)<=>C6H6(252)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3589; RMG #3589 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C6H7(239)<=>C3H5L(86)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3590; RMG #3590 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(65)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3591; RMG #3591 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(65)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 7.445 - -! Reaction index: Chemkin #3592; RMG #3592 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(69)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3593; RMG #3593 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(69)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 7.445 - -! Reaction index: Chemkin #3594; RMG #3594 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(66)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3595; RMG #3595 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(66)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3596; RMG #3596 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(68)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3597; RMG #3597 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(68)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3598; RMG #3598 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(72)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3599; RMG #3599 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(72)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 7.445 - -! Reaction index: Chemkin #3600; RMG #3600 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(73)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3601; RMG #3601 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(73)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3602; RMG #3602 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(71)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3603; RMG #3603 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(71)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3604; RMG #3604 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(67)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3605; RMG #3605 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(67)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3606; RMG #3606 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H17LR(70)<=>C6H6(252)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3607; RMG #3607 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C9H17LR(70)<=>C6H6(252)+RC10L(1) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3608; RMG #3608 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H20R(64)<=>C6H6(252)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3609; RMG #3609 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C10H20R(64)<=>C6H6(252)+RC10(2) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3610; RMG #3610 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H20L(76)<=>C6H6(252)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3611; RMG #3611 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C10H20L(76)<=>C6H6(252)+LC10(3) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3612; RMG #3612 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H7(239)<=>CC(C)L(13)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3613; RMG #3613 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C6H7(123)<=>CC(C)L(13)+C6H6(252) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3614; RMG #3614 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H7(239)<=>CCCC(C)L(16)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3615; RMG #3615 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H7(123)<=>CCCC(C)L(16)+C6H6(252) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3616; RMG #3616 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(171)<=>C6H6(252)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3617; RMG #3617 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10R(171)<=>C6H6(252)+C6H11R(17) 1.225850e+27 -4.376 10.646 - -! Reaction index: Chemkin #3618; RMG #3618 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C6H7(123)<=>C3H6(18)+C6H6(252) 2.451710e+27 -4.376 9.658 - -! Reaction index: Chemkin #3619; RMG #3619 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H7(239)<=>CC(C)CR(20)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3620; RMG #3620 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C6H7(123)<=>CC(C)CR(20)+C6H6(252) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3621; RMG #3621 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C6H7(239)<=>CR(22)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3622; RMG #3622 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C6H7(123)<=>CR(22)+C6H6(252) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3623; RMG #3623 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C7H14R(9)<=>C6H6(252)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3624; RMG #3624 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C7H14R(9)<=>C6H6(252)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3625; RMG #3625 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C6H7(123)<=>C5H9L(24)+C6H6(252) 1.225850e+27 -4.376 10.646 - -! Reaction index: Chemkin #3626; RMG #3626 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H12L(11)<=>C6H6(252)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3627; RMG #3627 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H12L(11)<=>C6H6(252)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3628; RMG #3628 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H7(123)<=>CCL(26)+C6H6(252) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3629; RMG #3629 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H7(239)<=>CCCR(27)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3630; RMG #3630 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H7(123)<=>CCCR(27)+C6H6(252) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3631; RMG #3631 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H6(252)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3632; RMG #3632 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C[CH]CC(C)CR(5)<=>C6H6(252)+CCCC(C)CR(32) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3633; RMG #3633 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C6H7(239)<=>CC(L)CC(C)L(35)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3634; RMG #3634 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C6H7(123)<=>CC(L)CC(C)L(35)+C6H6(252) 1.225850e+27 -4.376 7.445 - -! Reaction index: Chemkin #3635; RMG #3635 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C8H16L(15)<=>C6H6(252)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3636; RMG #3636 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C8H16L(15)<=>C6H6(252)+C8H17L(49) 1.225850e+27 -4.376 6.982 - -! Reaction index: Chemkin #3637; RMG #3637 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10R(90)<=>C6H6(252)+C6H11R(56) 1.225850e+27 -4.376 11.046 - -! Reaction index: Chemkin #3638; RMG #3638 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(171)<=>C6H6(252)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3639; RMG #3639 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10R(171)<=>C6H6(252)+C6H11R(56) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3640; RMG #3640 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H7(123)<=>C5H9L(57)+C6H6(252) 1.225850e+27 -4.376 11.046 - -! Reaction index: Chemkin #3641; RMG #3641 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C6H7(123)<=>C5H9L(57)+C6H6(252) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3642; RMG #3642 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C6H7(123)<=>C3H5L(59)+C6H6(252) 2.451710e+27 -4.376 9.625 - -! Reaction index: Chemkin #3643; RMG #3643 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C6H7(123)<=>C4H7R(60)+C6H6(252) 2.451710e+27 -4.376 9.625 - -! Reaction index: Chemkin #3644; RMG #3644 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C6H7(123)<=>C4H7R(60)+C6H6(252) 1.225850e+27 -4.376 10.481 - -! Reaction index: Chemkin #3645; RMG #3645 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C8H14L(112)<=>C6H6(252)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3646; RMG #3646 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C8H14L(112)<=>C6H6(252)+C8H15L(61) 1.225850e+27 -4.376 11.046 - -! Reaction index: Chemkin #3647; RMG #3647 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C7H12R(108)<=>C6H6(252)+C7H13R(62) 1.225850e+27 -4.376 10.646 - -! Reaction index: Chemkin #3648; RMG #3648 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10L(103)<=>C6H6(252)+C6H11L(63) 1.225850e+27 -4.376 10.646 - -! Reaction index: Chemkin #3649; RMG #3649 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C6H7(239)<=>C(75)+C6H6(252) 1.150000e+13 -0.320 0.119 -DUPLICATE - -! Reaction index: Chemkin #3650; RMG #3650 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C6H7(123)<=>C(75)+C6H6(252) 1.225850e+27 -4.376 5.544 - -! Reaction index: Chemkin #3651; RMG #3651 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C6H7(239)<=>C(75)+C6H6(252) 9.124700e+12 -0.160 0.119 -DUPLICATE - -! Reaction index: Chemkin #3652; RMG #3652 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C6H7(123)<=>C4H7R(81)+C6H6(252) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3653; RMG #3653 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C6H7(239)<=>[H][H](83)+C6H6(252) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #3654; RMG #3654 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C6H7(123)<=>[H][H](83)+C6H6(252) 1.225850e+27 -4.376 5.722 - -! Reaction index: Chemkin #3655; RMG #3655 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H7(123)<=>C5H9L(84)+C6H6(252) 1.225850e+27 -4.376 10.631 - -! Reaction index: Chemkin #3656; RMG #3656 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C6H7(123)<=>C3H5L(86)+C6H6(252) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3657; RMG #3657 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C7H15(85)<=>C6H6(252)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3658; RMG #3658 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C7H15(85)<=>C6H6(252)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 6.383 - -! Reaction index: Chemkin #3659; RMG #3659 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C6H7(239)<=>CCC(95)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3660; RMG #3660 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C6H7(123)<=>CCC(95)+C6H6(252) 1.225850e+27 -4.376 6.958 - -! Reaction index: Chemkin #3661; RMG #3661 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H6(252); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H7(239)<=>CCC(95)+C6H6(252) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3662; RMG #3662 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C6H7(123)<=>CCC(95)+C6H6(252) 1.225850e+27 -4.376 6.278 - -! Reaction index: Chemkin #3663; RMG #3663 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10R(90)<=>C6H6(252)+C6H11R(98) 1.225850e+27 -4.376 10.631 - -! Reaction index: Chemkin #3664; RMG #3664 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10L(169)<=>C6H6(252)+C6H11L(107) 1.225850e+27 -4.376 11.046 - -! Reaction index: Chemkin #3665; RMG #3665 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10L(103)<=>C6H6(252)+C6H11L(107) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3666; RMG #3666 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H9(113)<=>C6H6(252)+C6H10(110) 1.225850e+27 -4.376 12.241 - -! Reaction index: Chemkin #3667; RMG #3667 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C6H9(160)<=>C6H6(252)+C6H10(116) 2.451710e+27 -4.376 11.389 - -! Reaction index: Chemkin #3668; RMG #3668 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H9(114)<=>C6H6(252)+C6H10(116) 1.225850e+27 -4.376 11.389 - -! Reaction index: Chemkin #3669; RMG #3669 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 3.095870e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #3670; RMG #3670 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H7(123)+C6H7(123)<=>C6H6(252)+C6H8(118) 4.903420e+27 -4.376 10.607 - -! Reaction index: Chemkin #3671; RMG #3671 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 1.225850e+27 -4.376 12.126 -DUPLICATE - -! Reaction index: Chemkin #3672; RMG #3672 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C7H12R(199)<=>C6H6(252)+C7H13R(120) 1.225850e+27 -4.376 11.046 - -! Reaction index: Chemkin #3673; RMG #3673 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C7H12R(108)<=>C6H6(252)+C7H13R(120) 1.225850e+27 -4.376 9.625 - -! Reaction index: Chemkin #3674; RMG #3674 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(125); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #3675; RMG #3675 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H7(123)+C6H7(123)<=>C6H6(252)+C6H8(125) 4.903420e+27 -4.376 10.713 - -! Reaction index: Chemkin #3676; RMG #3676 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C6H7(123)<=>C4H8(157)+C6H6(252) 2.451710e+27 -4.376 9.245 - -! Reaction index: Chemkin #3677; RMG #3677 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H6(252); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C6H7(123)<=>C5H6(187)+C6H6(252) 6.129270e+27 -4.376 10.585 - -! Reaction index: Chemkin #3678; RMG #3678 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H13(202)<=>C6H6(252)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3679; RMG #3679 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C10H13(202)<=>C6H6(252)+C10H14(179) 1.225850e+27 -4.376 11.468 - -! Reaction index: Chemkin #3680; RMG #3680 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C11H15(234)<=>C6H6(252)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #3681; RMG #3681 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C11H15(234)<=>C6H6(252)+C11H16(229) 1.225850e+27 -4.376 11.389 - -! Reaction index: Chemkin #3682; RMG #3682 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H15L2(253); C6H10L(103), C9H15L2(253); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H10L(103)<=>C9H15L2(253) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #3683; RMG #3683 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H14(254); C6H7(239), C12H14(254); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H7(239)<=>C12H14(254) 2.500000e+13 -0.000 0.000 - -! Reaction index: Chemkin #3684; RMG #3684 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H14(255); C6H7(239), C12H14(255); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H7(239)<=>C12H14(255) 2.500000e+13 -0.000 0.000 - -! Reaction index: Chemkin #3685; RMG #3685 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H8(173), C11H15(256); C6H7(239), C11H15(256); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H8(173)+C6H7(239)<=>C11H15(256) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #3686; RMG #3686 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H14(257); C6H7(239), C12H14(257); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H7(239)<=>C12H14(257) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3687; RMG #3687 -! Library reaction: restart -! Flux pairs: C11H14L(248), C11H14L(258); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C11H14L(248)<=>C11H14L(258) 1.260000e+11 0.160 12.012 - -! Reaction index: Chemkin #3688; RMG #3688 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C10H14(179)<=>CCCC(C)L(16)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3689; RMG #3689 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+C10H14(179)<=>CC(C)CC(C)CR(23)+C10H13(202) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #3690; RMG #3690 -! Template reaction: H_Abstraction -! Flux pairs: C10H14(179), C10H13(202); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C10H14(179)<=>CCCC(C)CR(32)+C10H13(202) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #3691; RMG #3691 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C11H15(234)<=>C5H9L2(203)+C11H16(229) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #3692; RMG #3692 -! Template reaction: H_Abstraction -! Flux pairs: C11H16(229), C11H15(234); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C11H16(229)<=>C3H5L(86)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #3693; RMG #3693 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H18L(259); C6H11L(63), C12H18L(259); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H11L(63)<=>C12H18L(259) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #3694; RMG #3694 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C9H13(260); C6H7(239), C9H13(260); -! From training reaction 242 used for Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+C6H7(239)<=>C9H13(260) 3.860000e+03 2.410 11.370 - -! Reaction index: Chemkin #3695; RMG #3695 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H14(261); C6H7(239), C12H14(261); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H7(239)<=>C12H14(261) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3696; RMG #3696 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 3.095870e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #3697; RMG #3697 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(118) 1.225850e+27 -4.376 12.126 -DUPLICATE - -! Reaction index: Chemkin #3698; RMG #3698 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C5H8L(77); C5H7L(262), C5H8L(77); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C5H7L(262)<=>C5H8L(77) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #3699; RMG #3699 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C5H8L(77)<=>CCCR(27)+C5H7L(262) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3700; RMG #3700 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C5H8L(77)<=>CCL(26)+C5H7L(262) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3701; RMG #3701 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #3702; RMG #3702 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C5H8L(77)<=>C5H7L(262)+C5H9L(84) 1.225850e+27 -4.376 9.545 - -! Reaction index: Chemkin #3703; RMG #3703 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C5H8L(77)<=>C3H5R(12)+C5H7L(262) 1.225850e+27 -4.376 9.405 - -! Reaction index: Chemkin #3704; RMG #3704 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C5H8L(77)<=>C3H5R(58)+C5H7L(262) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #3705; RMG #3705 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C5H8L(77)<=>C4H7R(60)+C5H7L(262) 1.225850e+27 -4.376 9.405 - -! Reaction index: Chemkin #3706; RMG #3706 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C5H8L(77)<=>C4H7R(81)+C5H7L(262) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #3707; RMG #3707 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C7H15(85)<=>C5H7L(262)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3708; RMG #3708 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C5H8L(89); C5H7L(262), C5H8L(89); -! From training reaction 2570 used for Cds-CsCs_Cds-CdH;HJ -! Exact match found for rate rule [Cds-CsCs_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C5H7L(262)<=>C5H8L(89) 7.170000e+07 1.640 1.180 - -! Reaction index: Chemkin #3709; RMG #3709 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 5.258140e+13 -0.550 0.671 -DUPLICATE - -! Reaction index: Chemkin #3710; RMG #3710 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(84); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(84) 5.258140e+13 -0.550 0.547 - -! Reaction index: Chemkin #3711; RMG #3711 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(24); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(24) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #3712; RMG #3712 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 1.225850e+27 -4.376 8.605 -DUPLICATE - -! Reaction index: Chemkin #3713; RMG #3713 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+C5H8L(89)<=>C3H5R(12)+C5H7L(262) 5.258140e+13 -0.550 0.505 - -! Reaction index: Chemkin #3714; RMG #3714 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+C5H8L(89)<=>C3H5R(58)+C5H7L(262) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3715; RMG #3715 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C4H6R(79)+C5H8L(89)<=>C4H7R(60)+C5H7L(262) 5.258140e+13 -0.550 0.505 - -! Reaction index: Chemkin #3716; RMG #3716 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6R(79)+C5H8L(89)<=>C4H7R(81)+C5H7L(262) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3717; RMG #3717 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(24); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C5H8L(89)<=>C5H7L(262)+C5H9L(24) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #3718; RMG #3718 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H9L(57); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C5H8L(89)<=>C5H7L(262)+C5H9L(57) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3719; RMG #3719 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10R(90)<=>C5H7L(262)+C6H11R(56) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #3720; RMG #3720 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10R(90)<=>C5H7L(262)+C6H11R(98) 1.225850e+27 -4.376 9.545 - -! Reaction index: Chemkin #3721; RMG #3721 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10R(90)<=>C5H7L(262)+C6H11R(56) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #3722; RMG #3722 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10R(90)<=>C5H7L(262)+C6H11R(98) 5.258140e+13 -0.550 0.547 - -! Reaction index: Chemkin #3723; RMG #3723 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C5H8L(77)<=>C3H6(18)+C5H7L(262) 2.451710e+27 -4.376 8.636 - -! Reaction index: Chemkin #3724; RMG #3724 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C5H8L(89)<=>C3H6(18)+C5H7L(262) 1.566000e+12 0.000 0.301 - -! Reaction index: Chemkin #3725; RMG #3725 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10L(103)<=>C5H7L(262)+C6H11L(63) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #3726; RMG #3726 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10L(103)<=>C5H7L(262)+C6H11L(107) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #3727; RMG #3727 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10L(103)<=>C5H7L(262)+C6H11L(63) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #3728; RMG #3728 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H10L(103)<=>C5H7L(262)+C6H11L(107) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3729; RMG #3729 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C7H12R(108)<=>C5H7L(262)+C7H13R(62) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #3730; RMG #3730 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C7H12R(108)<=>C5H7L(262)+C7H13R(120) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #3731; RMG #3731 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C7H12R(108)<=>C5H7L(262)+C7H13R(62) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #3732; RMG #3732 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C7H12R(108)<=>C5H7L(262)+C7H13R(120) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3733; RMG #3733 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H9(113)<=>C5H7L(262)+C6H10(110) 1.225850e+27 -4.376 11.055 - -! Reaction index: Chemkin #3734; RMG #3734 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H9(114)<=>C5H7L(262)+C6H10(116) 1.225850e+27 -4.376 10.255 - -! Reaction index: Chemkin #3735; RMG #3735 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H9(113)<=>C5H7L(262)+C6H10(110) 7.830000e+11 0.000 1.085 - -! Reaction index: Chemkin #3736; RMG #3736 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H9(114)<=>C5H7L(262)+C6H10(116) 5.258140e+13 -0.550 0.781 - -! Reaction index: Chemkin #3737; RMG #3737 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C5H8L(77)<=>C3H5L(59)+C5H7L(262) 2.451710e+27 -4.376 8.605 - -! Reaction index: Chemkin #3738; RMG #3738 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C5H8L(77)<=>C4H8(157)+C5H7L(262) 2.451710e+27 -4.376 8.251 - -! Reaction index: Chemkin #3739; RMG #3739 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H8(173); C5H7(174), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C5H8L(77)<=>C5H7L(262)+C5H8(173) 2.451710e+27 -4.376 10.947 - -! Reaction index: Chemkin #3740; RMG #3740 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H8(173); C5H7(174), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C5H8L(89)<=>C5H7L(262)+C5H8(173) 1.566000e+12 0.000 1.042 - -! Reaction index: Chemkin #3741; RMG #3741 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H8(180); C5H7(178), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C5H8L(77)<=>C5H7L(262)+C5H8(180) 2.451710e+27 -4.376 10.255 - -! Reaction index: Chemkin #3742; RMG #3742 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H8(180); C5H7(178), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C5H8L(89)<=>C5H7L(262)+C5H8(180) 1.051630e+14 -0.550 0.781 - -! Reaction index: Chemkin #3743; RMG #3743 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C5H8L(77)<=>C5H6(187)+C5H7L(262) 6.129270e+27 -4.376 9.503 - -! Reaction index: Chemkin #3744; RMG #3744 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C5H8L(77)<=>C4H7R(60)+C5H7L(262) 2.451710e+27 -4.376 8.605 - -! Reaction index: Chemkin #3745; RMG #3745 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H7(239)<=>C5H7L(262)+C6H8(118) 1.225850e+27 -4.376 10.947 - -! Reaction index: Chemkin #3746; RMG #3746 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(118); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H7(239)<=>C5H7L(262)+C6H8(118) 7.830000e+11 0.000 1.042 - -! Reaction index: Chemkin #3747; RMG #3747 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C9H17LR(65)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3748; RMG #3748 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(65)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.578 - -! Reaction index: Chemkin #3749; RMG #3749 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C9H17LR(69)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3750; RMG #3750 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(69)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.578 - -! Reaction index: Chemkin #3751; RMG #3751 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C9H17LR(66)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3752; RMG #3752 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(66)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3753; RMG #3753 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C9H17LR(68)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3754; RMG #3754 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(68)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3755; RMG #3755 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C9H17LR(72)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3756; RMG #3756 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(72)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.578 - -! Reaction index: Chemkin #3757; RMG #3757 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C9H17LR(73)<=>C5H7L(262)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3758; RMG #3758 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(73)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3759; RMG #3759 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C9H17LR(71)<=>C5H7L(262)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3760; RMG #3760 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(71)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3761; RMG #3761 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C9H17LR(67)<=>C5H7L(262)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3762; RMG #3762 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(67)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3763; RMG #3763 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C9H17LR(70)<=>C5H7L(262)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3764; RMG #3764 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H17LR(70)<=>C5H7L(262)+RC10L(1) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3765; RMG #3765 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C10H20R(64)<=>C5H7L(262)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3766; RMG #3766 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H20R(64)<=>C5H7L(262)+RC10(2) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3767; RMG #3767 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C10H20L(76)<=>C5H7L(262)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3768; RMG #3768 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H20L(76)<=>C5H7L(262)+LC10(3) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3769; RMG #3769 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C5H8L(89)<=>CC(C)L(13)+C5H7L(262) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3770; RMG #3770 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C5H8L(77)<=>CC(C)L(13)+C5H7L(262) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3771; RMG #3771 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C[CH]CC(C)L(7)<=>C5H7L(262)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3772; RMG #3772 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C[CH]CC(C)L(7)<=>C5H7L(262)+CCCC(C)L(16) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3773; RMG #3773 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10R(171)<=>C5H7L(262)+C6H11R(17) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #3774; RMG #3774 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10R(171)<=>C5H7L(262)+C6H11R(17) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #3775; RMG #3775 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C5H8L(89)<=>CC(C)CR(20)+C5H7L(262) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3776; RMG #3776 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C5H8L(77)<=>CC(C)CR(20)+C5H7L(262) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3777; RMG #3777 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+C5H8L(89)<=>CR(22)+C5H7L(262) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3778; RMG #3778 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C5H8L(77)<=>CR(22)+C5H7L(262) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3779; RMG #3779 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C7H14R(9)<=>C5H7L(262)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3780; RMG #3780 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C7H14R(9)<=>C5H7L(262)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3781; RMG #3781 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H12L(11)<=>C5H7L(262)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3782; RMG #3782 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H12L(11)<=>C5H7L(262)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 5.597 - -! Reaction index: Chemkin #3783; RMG #3783 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+C5H8L(89)<=>CCL(26)+C5H7L(262) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3784; RMG #3784 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+C5H8L(89)<=>CCCR(27)+C5H7L(262) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3785; RMG #3785 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C[CH]CC(C)CR(5)<=>C5H7L(262)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3786; RMG #3786 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C[CH]CC(C)CR(5)<=>C5H7L(262)+CCCC(C)CR(32) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3787; RMG #3787 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C5H9L2(203)<=>C5H7L(262)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3788; RMG #3788 -! Library reaction: restart -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C5H9L2(203)<=>C5H7L(262)+CC(L)CC(C)L(35) 1.225850e+27 -4.376 6.578 - -! Reaction index: Chemkin #3789; RMG #3789 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C8H16L(15)<=>C5H7L(262)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3790; RMG #3790 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C8H16L(15)<=>C5H7L(262)+C8H17L(49) 1.225850e+27 -4.376 6.150 - -! Reaction index: Chemkin #3791; RMG #3791 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H10R(171)<=>C5H7L(262)+C6H11R(56) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3792; RMG #3792 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10R(171)<=>C5H7L(262)+C6H11R(56) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #3793; RMG #3793 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 5.258140e+13 -0.550 0.671 -DUPLICATE - -! Reaction index: Chemkin #3794; RMG #3794 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H9L(57); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C5H8L(77)<=>C5H7L(262)+C5H9L(57) 1.225850e+27 -4.376 8.605 -DUPLICATE - -! Reaction index: Chemkin #3795; RMG #3795 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+C5H8L(89)<=>C3H5L(59)+C5H7L(262) 1.566000e+12 0.000 0.294 - -! Reaction index: Chemkin #3796; RMG #3796 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+C5H8L(89)<=>C4H7R(60)+C5H7L(262) 1.566000e+12 0.000 0.294 - -! Reaction index: Chemkin #3797; RMG #3797 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C8H14L(112)<=>C5H7L(262)+C8H15L(61) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #3798; RMG #3798 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C8H14L(112)<=>C5H7L(262)+C8H15L(61) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #3799; RMG #3799 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -CH3(74)+C5H8L(89)<=>C(75)+C5H7L(262) 3.543620e+12 -0.187 0.000 - -! Reaction index: Chemkin #3800; RMG #3800 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C5H8L(77)<=>C(75)+C5H7L(262) 1.225850e+27 -4.376 4.826 - -! Reaction index: Chemkin #3801; RMG #3801 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -H(82)+C5H8L(89)<=>[H][H](83)+C5H7L(262) 4.559710e+12 -0.222 0.000 -DUPLICATE - -! Reaction index: Chemkin #3802; RMG #3802 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C5H8L(77)<=>[H][H](83)+C5H7L(262) 1.225850e+27 -4.376 4.989 - -! Reaction index: Chemkin #3803; RMG #3803 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -H(82)+C5H8L(89)<=>[H][H](83)+C5H7L(262) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #3804; RMG #3804 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+C5H8L(89)<=>C3H5L(86)+C5H7L(262) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #3805; RMG #3805 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C5H8L(77)<=>C3H5L(86)+C5H7L(262) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #3806; RMG #3806 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C7H15(85)<=>C5H7L(262)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3807; RMG #3807 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]C(94)+C5H8L(89)<=>CCC(95)+C5H7L(262) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #3808; RMG #3808 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C5H8L(77)<=>CCC(95)+C5H7L(262) 1.225850e+27 -4.376 6.128 - -! Reaction index: Chemkin #3809; RMG #3809 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]CC(195)+C5H8L(89)<=>CCC(95)+C5H7L(262) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #3810; RMG #3810 -! Library reaction: restart -! Flux pairs: C5H8L(77), C5H7L(262); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C5H8L(77)<=>CCC(95)+C5H7L(262) 1.225850e+27 -4.376 5.501 - -! Reaction index: Chemkin #3811; RMG #3811 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10L(169)<=>C5H7L(262)+C6H11L(107) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #3812; RMG #3812 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10L(169)<=>C5H7L(262)+C6H11L(107) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #3813; RMG #3813 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H9(160)<=>C5H7L(262)+C6H10(116) 1.051630e+14 -0.550 0.781 - -! Reaction index: Chemkin #3814; RMG #3814 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H10(116); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C6H9(160)<=>C5H7L(262)+C6H10(116) 2.451710e+27 -4.376 10.255 - -! Reaction index: Chemkin #3815; RMG #3815 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H7(123)<=>C5H7L(262)+C6H8(118) 1.051630e+14 -0.550 0.540 - -! Reaction index: Chemkin #3816; RMG #3816 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(118); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C6H7(123)<=>C5H7L(262)+C6H8(118) 2.451710e+27 -4.376 9.523 - -! Reaction index: Chemkin #3817; RMG #3817 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C7H12R(199)<=>C5H7L(262)+C7H13R(120) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #3818; RMG #3818 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C7H12R(199)<=>C5H7L(262)+C7H13R(120) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #3819; RMG #3819 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H7(123)<=>C5H7L(262)+C6H8(125) 1.051630e+14 -0.550 0.571 - -! Reaction index: Chemkin #3820; RMG #3820 -! Library reaction: restart -! Flux pairs: C6H7(123), C6H8(125); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C6H7(123)<=>C5H7L(262)+C6H8(125) 2.451710e+27 -4.376 9.622 - -! Reaction index: Chemkin #3821; RMG #3821 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C5H8L(89)<=>C4H8(157)+C5H7L(262) 1.566000e+12 0.000 0.217 - -! Reaction index: Chemkin #3822; RMG #3822 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C10H13(202)<=>C5H7L(262)+C10H14(179) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #3823; RMG #3823 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H13(202)<=>C5H7L(262)+C10H14(179) 1.225850e+27 -4.376 10.329 - -! Reaction index: Chemkin #3824; RMG #3824 -! Library reaction: restart -! Flux pairs: C5H8L(89), C5H7L(262); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -C5H5(189)+C5H8L(89)<=>C5H6(187)+C5H7L(262) 2.629070e+14 -0.550 0.534 - -! Reaction index: Chemkin #3825; RMG #3825 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C11H15(234)<=>C5H7L(262)+C11H16(229) 5.258140e+13 -0.550 0.781 - -! Reaction index: Chemkin #3826; RMG #3826 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(234)<=>C5H7L(262)+C11H16(229) 1.225850e+27 -4.376 10.255 - -! Reaction index: Chemkin #3827; RMG #3827 -! Library reaction: restart -! Flux pairs: C3H4R(78), C9H11R(263); C6H7(239), C9H11R(263); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C3H4R(78)+C6H7(239)<=>C9H11R(263) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3828; RMG #3828 -! Library reaction: restart -! Flux pairs: C3H4R(78), C9H11R(264); C6H7(239), C9H11R(264); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C3H4R(78)+C6H7(239)<=>C9H11R(264) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3829; RMG #3829 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H15(265); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C11H15(256)<=>C11H15(265) 1.260000e+11 0.160 11.046 - -! Reaction index: Chemkin #3830; RMG #3830 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H17(266); C6H10(110), C12H17(266); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H10(110)<=>C12H17(266) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #3831; RMG #3831 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(267); C6H9(114), C12H16(267); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H9(114)<=>C12H16(267) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #3832; RMG #3832 -! Library reaction: restart -! Flux pairs: C3H4R(78), C9H11R(268); C6H7(239), C9H11R(268); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C3H4R(78)+C6H7(239)<=>C9H11R(268) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3833; RMG #3833 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(269); C6H9(114), C12H16(269); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H9(114)<=>C12H16(269) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #3834; RMG #3834 -! Library reaction: restart -! Flux pairs: C3H4R(78), C9H11R(270); C6H7(239), C9H11R(270); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C3H4R(78)+C6H7(239)<=>C9H11R(270) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3835; RMG #3835 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H14(271); C6H7(239), C11H14(271); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H7(239)<=>C11H14(271) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #3836; RMG #3836 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C11H15(256); C11H14(271), C11H15(256); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C11H14(271)<=>C11H15(256) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #3837; RMG #3837 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #3838; RMG #3838 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #3839; RMG #3839 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3840; RMG #3840 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3841; RMG #3841 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #3842; RMG #3842 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3843; RMG #3843 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3844; RMG #3844 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3845; RMG #3845 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C11H15(256)<=>RC10L(1)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3846; RMG #3846 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C11H15(256)<=>RC10(2)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3847; RMG #3847 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C11H15(256)<=>LC10(3)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3848; RMG #3848 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H15(256)<=>C3H5R(12)+C11H14(271) 1.225850e+27 -4.376 9.219 - -! Reaction index: Chemkin #3849; RMG #3849 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C11H15(256)<=>CC(C)L(13)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3850; RMG #3850 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H15(256)<=>C6H11R(17)+C11H14(271) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #3851; RMG #3851 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C11H15(256)<=>C3H6(18)+C11H14(271) 2.451710e+27 -4.376 8.460 - -! Reaction index: Chemkin #3852; RMG #3852 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C11H15(256)<=>CC(C)CR(20)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3853; RMG #3853 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C11H15(256)<=>CR(22)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3854; RMG #3854 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C11H15(256)<=>CC(C)CC(C)CR(23)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3855; RMG #3855 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H15(256)<=>C5H9L(24)+C11H14(271) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #3856; RMG #3856 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C11H15(256)<=>CC(C)CC(C)L(25)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3857; RMG #3857 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H15(256)<=>CCL(26)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3858; RMG #3858 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H15(256)<=>CCCR(27)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3859; RMG #3859 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(256)<=>C6H11R(56)+C11H14(271) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #3860; RMG #3860 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H15(256)<=>C6H11R(56)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3861; RMG #3861 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(256)<=>C5H9L(57)+C11H14(271) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #3862; RMG #3862 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H15(256)<=>C5H9L(57)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3863; RMG #3863 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H15(256)<=>C3H5R(58)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3864; RMG #3864 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C11H15(256)<=>C3H5L(59)+C11H14(271) 2.451710e+27 -4.376 8.429 - -! Reaction index: Chemkin #3865; RMG #3865 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C11H15(256)<=>C4H7R(60)+C11H14(271) 2.451710e+27 -4.376 8.429 - -! Reaction index: Chemkin #3866; RMG #3866 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H15(256)<=>C4H7R(60)+C11H14(271) 1.225850e+27 -4.376 9.219 - -! Reaction index: Chemkin #3867; RMG #3867 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C11H15(256)<=>C8H15L(61)+C11H14(271) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #3868; RMG #3868 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H15(256)<=>C7H13R(62)+C11H14(271) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #3869; RMG #3869 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H15(256)<=>C6H11L(63)+C11H14(271) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #3870; RMG #3870 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C11H15(256)<=>C(75)+C11H14(271) 1.225850e+27 -4.376 4.703 - -! Reaction index: Chemkin #3871; RMG #3871 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H15(256)<=>C4H7R(81)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3872; RMG #3872 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C11H15(256)<=>[H][H](83)+C11H14(271) 1.225850e+27 -4.376 4.864 - -! Reaction index: Chemkin #3873; RMG #3873 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(256)<=>C5H9L(84)+C11H14(271) 1.225850e+27 -4.376 9.358 - -! Reaction index: Chemkin #3874; RMG #3874 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C11H15(256)<=>CCC(95)+C11H14(271) 1.225850e+27 -4.376 5.985 - -! Reaction index: Chemkin #3875; RMG #3875 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C11H15(256)<=>CCC(95)+C11H14(271) 1.225850e+27 -4.376 5.367 - -! Reaction index: Chemkin #3876; RMG #3876 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(256)<=>C6H11R(98)+C11H14(271) 1.225850e+27 -4.376 9.358 - -! Reaction index: Chemkin #3877; RMG #3877 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H15(256)<=>C6H11L(107)+C11H14(271) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #3878; RMG #3878 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H15(256)<=>C6H11L(107)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3879; RMG #3879 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C11H15(256)<=>C6H10(110)+C11H14(271) 1.225850e+27 -4.376 10.849 - -! Reaction index: Chemkin #3880; RMG #3880 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C11H15(256)<=>C6H10(116)+C11H14(271) 2.451710e+27 -4.376 10.059 - -! Reaction index: Chemkin #3881; RMG #3881 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H15(256)<=>C6H10(116)+C11H14(271) 1.225850e+27 -4.376 10.059 - -! Reaction index: Chemkin #3882; RMG #3882 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H15(256)<=>C7H13R(120)+C11H14(271) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #3883; RMG #3883 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H15(256)<=>C7H13R(120)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3884; RMG #3884 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C11H15(256)<=>C5H8(173)+C11H14(271) 2.451710e+27 -4.376 10.743 - -! Reaction index: Chemkin #3885; RMG #3885 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C11H15(256)<=>C3H5L(86)+C11H14(271) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #3886; RMG #3886 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C11H15(256)<=>CC(C)CC(C)C(87)+C11H14(271) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #3887; RMG #3887 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H15(256)<=>C6H8(118)+C11H14(271) 2.451710e+27 -4.376 9.335 - -! Reaction index: Chemkin #3888; RMG #3888 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(256)<=>C6H8(118)+C11H14(271) 1.225850e+27 -4.376 10.743 - -! Reaction index: Chemkin #3889; RMG #3889 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H15(256)<=>C6H8(125)+C11H14(271) 2.451710e+27 -4.376 9.433 - -! Reaction index: Chemkin #3890; RMG #3890 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C11H15(256)<=>C4H8(157)+C11H14(271) 2.451710e+27 -4.376 8.079 - -! Reaction index: Chemkin #3891; RMG #3891 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C11H15(256)<=>C5H8(180)+C11H14(271) 2.451710e+27 -4.376 10.059 - -! Reaction index: Chemkin #3892; RMG #3892 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C11H15(256)<=>C5H6(187)+C11H14(271) 6.129270e+27 -4.376 9.315 - -! Reaction index: Chemkin #3893; RMG #3893 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H15(256)<=>CCCC(C)L(16)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3894; RMG #3894 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H15(256)<=>CCCC(C)CR(32)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3895; RMG #3895 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C11H15(256)<=>CC(L)CC(C)L(35)+C11H14(271) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #3896; RMG #3896 -! Library reaction: restart -! Flux pairs: C3H5(102), C9H12(272); C6H7(239), C9H12(272); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H7(239)<=>C9H12(272) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3897; RMG #3897 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C9H13(260); C9H12(272), C9H13(260); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C9H12(272)<=>C9H13(260) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #3898; RMG #3898 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(65)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3899; RMG #3899 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(69)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3900; RMG #3900 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(66)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3901; RMG #3901 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(68)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3902; RMG #3902 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(72)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3903; RMG #3903 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(73)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3904; RMG #3904 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(71)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3905; RMG #3905 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(67)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3906; RMG #3906 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C9H17LR(70)<=>C9H12(272)+RC10L(1) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3907; RMG #3907 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C10H20R(64)<=>C9H12(272)+RC10(2) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3908; RMG #3908 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C10H20L(76)<=>C9H12(272)+LC10(3) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3909; RMG #3909 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H13(260)<=>C3H5R(12)+C9H12(272) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3910; RMG #3910 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C9H13(260)<=>CC(C)L(13)+C9H12(272) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3911; RMG #3911 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H13(260)<=>CCCC(C)L(16)+C9H12(272) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3912; RMG #3912 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H13(260)<=>C6H11R(17)+C9H12(272) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #3913; RMG #3913 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C9H13(260)<=>C3H6(18)+C9H12(272) 2.451710e+27 -4.376 6.289 - -! Reaction index: Chemkin #3914; RMG #3914 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C9H13(260)<=>CC(C)CR(20)+C9H12(272) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3915; RMG #3915 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C9H13(260)<=>CR(22)+C9H12(272) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3916; RMG #3916 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C9H13(260)<=>CC(C)CC(C)CR(23)+C9H12(272) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3917; RMG #3917 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H13(260)<=>C5H9L(24)+C9H12(272) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #3918; RMG #3918 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C9H13(260)<=>CC(C)CC(C)L(25)+C9H12(272) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3919; RMG #3919 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H13(260)<=>CCL(26)+C9H12(272) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3920; RMG #3920 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H13(260)<=>CCCR(27)+C9H12(272) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3921; RMG #3921 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H13(260)<=>CCCC(C)CR(32)+C9H12(272) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3922; RMG #3922 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C9H13(260)<=>CC(L)CC(C)L(35)+C9H12(272) 1.225850e+27 -4.376 4.616 - -! Reaction index: Chemkin #3923; RMG #3923 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H15(256)<=>C8H17L(49)+C11H14(271) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #3924; RMG #3924 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H13(260)<=>C8H17L(49)+C9H12(272) 1.225850e+27 -4.376 4.274 - -! Reaction index: Chemkin #3925; RMG #3925 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H13(260)<=>C6H11R(56)+C9H12(272) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #3926; RMG #3926 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H13(260)<=>C6H11R(56)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3927; RMG #3927 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H13(260)<=>C5H9L(57)+C9H12(272) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #3928; RMG #3928 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H13(260)<=>C5H9L(57)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3929; RMG #3929 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H13(260)<=>C3H5R(58)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3930; RMG #3930 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C9H13(260)<=>C3H5L(59)+C9H12(272) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #3931; RMG #3931 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C9H13(260)<=>C4H7R(60)+C9H12(272) 2.451710e+27 -4.376 6.263 - -! Reaction index: Chemkin #3932; RMG #3932 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H13(260)<=>C4H7R(60)+C9H12(272) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3933; RMG #3933 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C9H13(260)<=>C8H15L(61)+C9H12(272) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #3934; RMG #3934 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H13(260)<=>C7H13R(62)+C9H12(272) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #3935; RMG #3935 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H13(260)<=>C6H11L(63)+C9H12(272) 1.225850e+27 -4.376 7.050 - -! Reaction index: Chemkin #3936; RMG #3936 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C9H13(260)<=>C(75)+C9H12(272) 1.225850e+27 -4.376 3.228 - -! Reaction index: Chemkin #3937; RMG #3937 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H13(260)<=>C4H7R(81)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3938; RMG #3938 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C9H13(260)<=>[H][H](83)+C9H12(272) 1.225850e+27 -4.376 3.356 - -! Reaction index: Chemkin #3939; RMG #3939 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H13(260)<=>C5H9L(84)+C9H12(272) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #3940; RMG #3940 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C9H13(260)<=>C3H5L(86)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3941; RMG #3941 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C9H13(260)<=>CC(C)CC(C)C(87)+C9H12(272) 1.225850e+27 -4.376 3.834 - -! Reaction index: Chemkin #3942; RMG #3942 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C9H13(260)<=>CCC(95)+C9H12(272) 1.225850e+27 -4.376 4.256 - -! Reaction index: Chemkin #3943; RMG #3943 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C9H13(260)<=>CCC(95)+C9H12(272) 1.225850e+27 -4.376 3.758 - -! Reaction index: Chemkin #3944; RMG #3944 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H13(260)<=>C6H11R(98)+C9H12(272) 1.225850e+27 -4.376 7.038 - -! Reaction index: Chemkin #3945; RMG #3945 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H13(260)<=>C6H11L(107)+C9H12(272) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #3946; RMG #3946 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H13(260)<=>C6H11L(107)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3947; RMG #3947 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C9H13(260)<=>C6H10(110)+C9H12(272) 1.225850e+27 -4.376 8.296 - -! Reaction index: Chemkin #3948; RMG #3948 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C9H13(260)<=>C6H10(116)+C9H12(272) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #3949; RMG #3949 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H13(260)<=>C6H10(116)+C9H12(272) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #3950; RMG #3950 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H13(260)<=>C6H8(118)+C9H12(272) 2.451710e+27 -4.376 7.020 - -! Reaction index: Chemkin #3951; RMG #3951 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H13(260)<=>C6H8(118)+C9H12(272) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #3952; RMG #3952 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H13(260)<=>C7H13R(120)+C9H12(272) 1.225850e+27 -4.376 7.361 - -! Reaction index: Chemkin #3953; RMG #3953 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H13(260)<=>C7H13R(120)+C9H12(272) 1.225850e+27 -4.376 6.263 - -! Reaction index: Chemkin #3954; RMG #3954 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H13(260)<=>C6H8(125)+C9H12(272) 2.451710e+27 -4.376 7.102 - -! Reaction index: Chemkin #3955; RMG #3955 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C9H13(260)<=>C4H8(157)+C9H12(272) 2.451710e+27 -4.376 5.972 - -! Reaction index: Chemkin #3956; RMG #3956 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C9H13(260)<=>C5H8(173)+C9H12(272) 2.451710e+27 -4.376 8.206 - -! Reaction index: Chemkin #3957; RMG #3957 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C10H13(202)<=>C9H12(272)+C10H14(179) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #3958; RMG #3958 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C9H13(260)<=>C5H8(180)+C9H12(272) 2.451710e+27 -4.376 7.628 - -! Reaction index: Chemkin #3959; RMG #3959 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C9H13(260)<=>C5H6(187)+C9H12(272) 6.129270e+27 -4.376 7.003 - -! Reaction index: Chemkin #3960; RMG #3960 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C11H15(234)<=>C9H12(272)+C11H16(229) 1.225850e+27 -4.376 7.628 - -! Reaction index: Chemkin #3961; RMG #3961 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(273); C6H9(114), C12H16(273); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H9(114)<=>C12H16(273) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #3962; RMG #3962 -! Library reaction: restart -! Flux pairs: C5H7(178), C11H14(274); C6H7(239), C11H14(274); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C6H7(239)<=>C11H14(274) 1.000000e+14 -0.000 0.000 - -! Reaction index: Chemkin #3963; RMG #3963 -! Library reaction: restart -! Flux pairs: C3H5(102), C9H12(275); C6H7(239), C9H12(275); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H7(239)<=>C9H12(275) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #3964; RMG #3964 -! Library reaction: restart -! Flux pairs: C5H7(178), C11H14(276); C6H7(239), C11H14(276); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C6H7(239)<=>C11H14(276) 1.000000e+14 -0.000 0.000 - -! Reaction index: Chemkin #3965; RMG #3965 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H14(277); C6H7(239), C12H14(277); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R -C6H7(239)+C6H7(239)<=>C12H14(277) 1.815520e+13 -0.118 0.000 - -! Reaction index: Chemkin #3966; RMG #3966 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C11H15(226); C11H14(278), C11H15(226); -! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C11H14(278)<=>C11H15(226) 2.580000e+08 1.640 -0.720 - -! Reaction index: Chemkin #3967; RMG #3967 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H14(278); C6H7(239), C11H14(278); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C5H7(174)+C6H7(239)<=>C11H14(278) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #3968; RMG #3968 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #3969; RMG #3969 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #3970; RMG #3970 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3971; RMG #3971 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3972; RMG #3972 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #3973; RMG #3973 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3974; RMG #3974 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3975; RMG #3975 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3976; RMG #3976 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C11H15(226)<=>RC10L(1)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3977; RMG #3977 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C11H15(226)<=>RC10(2)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3978; RMG #3978 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C11H15(226)<=>LC10(3)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3979; RMG #3979 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H15(226)<=>C3H5R(12)+C11H14(278) 1.225850e+27 -4.376 10.403 - -! Reaction index: Chemkin #3980; RMG #3980 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C11H15(226)<=>CC(C)L(13)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3981; RMG #3981 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H15(226)<=>C6H11R(17)+C11H14(278) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #3982; RMG #3982 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C11H15(226)<=>C3H6(18)+C11H14(278) 2.451710e+27 -4.376 9.585 - -! Reaction index: Chemkin #3983; RMG #3983 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C11H15(226)<=>CC(C)CR(20)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3984; RMG #3984 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C11H15(226)<=>CR(22)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3985; RMG #3985 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H15(226)<=>C5H9L(24)+C11H14(278) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #3986; RMG #3986 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C11H15(226)<=>CC(C)CC(C)L(25)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #3987; RMG #3987 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H15(226)<=>CCL(26)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3988; RMG #3988 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H15(226)<=>CCCR(27)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #3989; RMG #3989 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(226)<=>C6H11R(56)+C11H14(278) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #3990; RMG #3990 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H15(226)<=>C6H11R(56)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #3991; RMG #3991 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(226)<=>C5H9L(57)+C11H14(278) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #3992; RMG #3992 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H15(226)<=>C5H9L(57)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #3993; RMG #3993 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H15(226)<=>C3H5R(58)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #3994; RMG #3994 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C11H15(226)<=>C3H5L(59)+C11H14(278) 2.451710e+27 -4.376 9.551 - -! Reaction index: Chemkin #3995; RMG #3995 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C11H15(226)<=>C4H7R(60)+C11H14(278) 2.451710e+27 -4.376 9.551 - -! Reaction index: Chemkin #3996; RMG #3996 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H15(226)<=>C4H7R(60)+C11H14(278) 1.225850e+27 -4.376 10.403 - -! Reaction index: Chemkin #3997; RMG #3997 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C11H15(226)<=>C8H15L(61)+C11H14(278) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #3998; RMG #3998 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H15(226)<=>C7H13R(62)+C11H14(278) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #3999; RMG #3999 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H15(226)<=>C6H11L(63)+C11H14(278) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #4000; RMG #4000 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C11H15(226)<=>C(75)+C11H14(278) 1.225850e+27 -4.376 5.492 - -! Reaction index: Chemkin #4001; RMG #4001 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H15(226)<=>C4H7R(81)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4002; RMG #4002 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C11H15(226)<=>[H][H](83)+C11H14(278) 1.225850e+27 -4.376 5.669 - -! Reaction index: Chemkin #4003; RMG #4003 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(226)<=>C5H9L(84)+C11H14(278) 1.225850e+27 -4.376 10.553 - -! Reaction index: Chemkin #4004; RMG #4004 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C11H15(226)<=>C3H5L(86)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4005; RMG #4005 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C11H15(226)<=>CCC(95)+C11H14(278) 1.225850e+27 -4.376 6.898 - -! Reaction index: Chemkin #4006; RMG #4006 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C11H15(226)<=>CCC(95)+C11H14(278) 1.225850e+27 -4.376 6.222 - -! Reaction index: Chemkin #4007; RMG #4007 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(226)<=>C6H11R(98)+C11H14(278) 1.225850e+27 -4.376 10.553 - -! Reaction index: Chemkin #4008; RMG #4008 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H15(226)<=>C6H11L(107)+C11H14(278) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4009; RMG #4009 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H15(226)<=>C6H11L(107)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4010; RMG #4010 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C11H15(226)<=>C6H10(110)+C11H14(278) 1.225850e+27 -4.376 12.156 - -! Reaction index: Chemkin #4011; RMG #4011 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C11H15(226)<=>C6H10(116)+C11H14(278) 2.451710e+27 -4.376 11.307 - -! Reaction index: Chemkin #4012; RMG #4012 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H15(226)<=>C6H10(116)+C11H14(278) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #4013; RMG #4013 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H15(226)<=>C6H8(118)+C11H14(278) 2.451710e+27 -4.376 10.529 - -! Reaction index: Chemkin #4014; RMG #4014 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(226)<=>C6H8(118)+C11H14(278) 1.225850e+27 -4.376 12.042 - -! Reaction index: Chemkin #4015; RMG #4015 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H15(226)<=>C7H13R(120)+C11H14(278) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4016; RMG #4016 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H15(226)<=>C7H13R(120)+C11H14(278) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4017; RMG #4017 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H15(226)<=>C6H8(125)+C11H14(278) 2.451710e+27 -4.376 10.634 - -! Reaction index: Chemkin #4018; RMG #4018 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C11H15(226)<=>C4H8(157)+C11H14(278) 2.451710e+27 -4.376 9.173 - -! Reaction index: Chemkin #4019; RMG #4019 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C11H15(226)<=>C5H8(173)+C11H14(278) 2.451710e+27 -4.376 12.042 - -! Reaction index: Chemkin #4020; RMG #4020 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C11H15(226)<=>C5H8(180)+C11H14(278) 2.451710e+27 -4.376 11.307 - -! Reaction index: Chemkin #4021; RMG #4021 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C11H15(226)<=>C5H6(187)+C11H14(278) 6.129270e+27 -4.376 10.507 - -! Reaction index: Chemkin #4022; RMG #4022 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H14(279); C6H7(239), C11H14(279); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C5H7(174)+C6H7(239)<=>C11H14(279) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4023; RMG #4023 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(280); C6H9(114), C12H16(280); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H9(114)<=>C12H16(280) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #4024; RMG #4024 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H15(226)<=>CCCC(C)L(16)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4025; RMG #4025 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C11H15(226)<=>CC(C)CC(C)CR(23)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4026; RMG #4026 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H15(226)<=>CCCC(C)CR(32)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4027; RMG #4027 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C11H15(226)<=>CC(L)CC(C)L(35)+C11H14(278) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #4028; RMG #4028 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H15(226)<=>C8H17L(49)+C11H14(278) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4029; RMG #4029 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C11H15(226)<=>CC(C)CC(C)C(87)+C11H14(278) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4030; RMG #4030 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C11H15(256)<=>C10H14(179)+C11H14(271) 1.225850e+27 -4.376 10.132 - -! Reaction index: Chemkin #4031; RMG #4031 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H16(229); C11H15(234), C11H14(271); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(234)+C11H15(256)<=>C11H14(271)+C11H16(229) 1.225850e+27 -4.376 10.059 - -! Reaction index: Chemkin #4032; RMG #4032 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C13H20R(281); C7H13R(62), C13H20R(281); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H7(239)+C7H13R(62)<=>C13H20R(281) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #4033; RMG #4033 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H12L(282); C6H7(239), C10H12L(282); -! From training reaction 278 used for Cds-HH_Cds-CdH;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H7(239)<=>C10H12L(282) 4.330000e+03 2.410 8.570 - -! Reaction index: Chemkin #4034; RMG #4034 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H15(283); C6H8(118), C12H15(283); -! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H8(118)<=>C12H15(283) 2.880000e+01 2.740 3.300 - -! Reaction index: Chemkin #4035; RMG #4035 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #4036; RMG #4036 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #4037; RMG #4037 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4038; RMG #4038 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4039; RMG #4039 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #4040; RMG #4040 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4041; RMG #4041 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4042; RMG #4042 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4043; RMG #4043 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C12H15(283)<=>RC10L(1)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4044; RMG #4044 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C12H15(283)<=>RC10(2)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4045; RMG #4045 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C12H15(283)<=>LC10(3)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4046; RMG #4046 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C12H15(283)<=>C3H5R(12)+C12H14(244) 1.225850e+27 -4.376 10.403 - -! Reaction index: Chemkin #4047; RMG #4047 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C12H15(283)<=>CC(C)L(13)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4048; RMG #4048 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C12H15(283)<=>CCCC(C)L(16)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4049; RMG #4049 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C12H15(283)<=>C6H11R(17)+C12H14(244) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #4050; RMG #4050 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C12H15(283)<=>C3H6(18)+C12H14(244) 2.451710e+27 -4.376 9.585 - -! Reaction index: Chemkin #4051; RMG #4051 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C12H15(283)<=>CC(C)CR(20)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4052; RMG #4052 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C12H15(283)<=>CR(22)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4053; RMG #4053 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C12H15(283)<=>CC(C)CC(C)CR(23)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4054; RMG #4054 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C12H15(283)<=>C5H9L(24)+C12H14(244) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #4055; RMG #4055 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C12H15(283)<=>CC(C)CC(C)L(25)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4056; RMG #4056 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C12H15(283)<=>CCL(26)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4057; RMG #4057 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C12H15(283)<=>CCCR(27)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4058; RMG #4058 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C12H15(283)<=>CCCC(C)CR(32)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4059; RMG #4059 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C12H15(283)<=>CC(L)CC(C)L(35)+C12H14(244) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #4060; RMG #4060 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C12H15(283)<=>C8H17L(49)+C12H14(244) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #4061; RMG #4061 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(283)<=>C6H11R(56)+C12H14(244) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4062; RMG #4062 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C12H15(283)<=>C6H11R(56)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4063; RMG #4063 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(283)<=>C5H9L(57)+C12H14(244) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4064; RMG #4064 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C12H15(283)<=>C5H9L(57)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4065; RMG #4065 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C12H15(283)<=>C3H5R(58)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4066; RMG #4066 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C12H15(283)<=>C3H5L(59)+C12H14(244) 2.451710e+27 -4.376 9.551 - -! Reaction index: Chemkin #4067; RMG #4067 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C12H15(283)<=>C4H7R(60)+C12H14(244) 2.451710e+27 -4.376 9.551 - -! Reaction index: Chemkin #4068; RMG #4068 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C12H15(283)<=>C4H7R(60)+C12H14(244) 1.225850e+27 -4.376 10.403 - -! Reaction index: Chemkin #4069; RMG #4069 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C12H15(283)<=>C8H15L(61)+C12H14(244) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4070; RMG #4070 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C12H15(283)<=>C7H13R(62)+C12H14(244) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #4071; RMG #4071 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C12H15(283)<=>C6H11L(63)+C12H14(244) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #4072; RMG #4072 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C12H15(283)<=>C(75)+C12H14(244) 1.225850e+27 -4.376 5.492 - -! Reaction index: Chemkin #4073; RMG #4073 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C12H15(283)<=>C4H7R(81)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4074; RMG #4074 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C12H15(283)<=>[H][H](83)+C12H14(244) 1.225850e+27 -4.376 5.669 - -! Reaction index: Chemkin #4075; RMG #4075 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(283)<=>C5H9L(84)+C12H14(244) 1.225850e+27 -4.376 10.553 - -! Reaction index: Chemkin #4076; RMG #4076 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C12H15(283)<=>C3H5L(86)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4077; RMG #4077 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C12H15(283)<=>CC(C)CC(C)C(87)+C12H14(244) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #4078; RMG #4078 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C12H15(283)<=>CCC(95)+C12H14(244) 1.225850e+27 -4.376 6.898 - -! Reaction index: Chemkin #4079; RMG #4079 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C12H15(283)<=>CCC(95)+C12H14(244) 1.225850e+27 -4.376 6.222 - -! Reaction index: Chemkin #4080; RMG #4080 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(283)<=>C6H11R(98)+C12H14(244) 1.225850e+27 -4.376 10.553 - -! Reaction index: Chemkin #4081; RMG #4081 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C12H15(283)<=>C6H11L(107)+C12H14(244) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4082; RMG #4082 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C12H15(283)<=>C6H11L(107)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4083; RMG #4083 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C12H15(283)<=>C6H10(110)+C12H14(244) 1.225850e+27 -4.376 12.156 - -! Reaction index: Chemkin #4084; RMG #4084 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C12H15(283)<=>C6H10(116)+C12H14(244) 2.451710e+27 -4.376 11.307 - -! Reaction index: Chemkin #4085; RMG #4085 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C12H15(283)<=>C6H10(116)+C12H14(244) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #4086; RMG #4086 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C12H15(283)<=>C6H8(118)+C12H14(244) 2.451710e+27 -4.376 10.529 - -! Reaction index: Chemkin #4087; RMG #4087 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H15(283)<=>C6H8(118)+C12H14(244) 1.225850e+27 -4.376 12.042 - -! Reaction index: Chemkin #4088; RMG #4088 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C12H15(283)<=>C7H13R(120)+C12H14(244) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #4089; RMG #4089 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C12H15(283)<=>C7H13R(120)+C12H14(244) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #4090; RMG #4090 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C12H15(283)<=>C6H8(125)+C12H14(244) 2.451710e+27 -4.376 10.634 - -! Reaction index: Chemkin #4091; RMG #4091 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C12H15(283)<=>C4H8(157)+C12H14(244) 2.451710e+27 -4.376 9.173 - -! Reaction index: Chemkin #4092; RMG #4092 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C12H15(283)<=>C5H8(173)+C12H14(244) 2.451710e+27 -4.376 12.042 - -! Reaction index: Chemkin #4093; RMG #4093 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C12H15(283)<=>C5H8(180)+C12H14(244) 2.451710e+27 -4.376 11.307 - -! Reaction index: Chemkin #4094; RMG #4094 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C12H15(283)<=>C5H6(187)+C12H14(244) 6.129270e+27 -4.376 10.507 - -! Reaction index: Chemkin #4095; RMG #4095 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C12H15(283); C12H14(244), C12H15(283); -! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C12H14(244)<=>C12H15(283) 2.580000e+08 1.640 -0.720 - -! Reaction index: Chemkin #4096; RMG #4096 -! Library reaction: restart -! Flux pairs: C5H5(189), C11H12(284); C6H7(239), C11H12(284); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 5.0 -C5H5(189)+C6H7(239)<=>C11H12(284) 2.500000e+14 -0.000 0.000 - -! Reaction index: Chemkin #4097; RMG #4097 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H10R(90); C6H9R(285), C6H10R(90); -! From training reaction 2558 used for Cds-CsH_Cds-CdCs;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CdCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H9R(285)<=>C6H10R(90) 1.520000e+08 1.640 0.140 - -! Reaction index: Chemkin #4098; RMG #4098 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H10R(90)<=>C5H9L(57)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4099; RMG #4099 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H10R(90)<=>C5H9L(84)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4100; RMG #4100 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H10R(90)<=>C3H5R(12)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4101; RMG #4101 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H10R(90)<=>C3H5R(58)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4102; RMG #4102 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H10R(90)<=>C4H7R(60)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4103; RMG #4103 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H10R(90)<=>C4H7R(81)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4104; RMG #4104 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H10R(90)<=>C5H9L(24)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4105; RMG #4105 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H10R(90)<=>C5H9L(57)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4106; RMG #4106 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C6H10R(90)<=>C6H9R(285)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4107; RMG #4107 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C6H10R(90)<=>C6H9R(285)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4108; RMG #4108 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C6H10R(90)<=>C3H6(18)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4109; RMG #4109 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11L(63); C6H10L(103), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C6H10R(90)<=>C6H9R(285)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4110; RMG #4110 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11L(107); C6H10L(103), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C6H10R(90)<=>C6H9R(285)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4111; RMG #4111 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C7H12R(108)<=>C6H9R(285)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4112; RMG #4112 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C7H12R(108)<=>C6H9R(285)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4113; RMG #4113 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H10(110); C6H9(113), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C6H10R(90)<=>C6H9R(285)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4114; RMG #4114 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H10(116); C6H9(114), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10R(90)<=>C6H9R(285)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4115; RMG #4115 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C6H10R(90)<=>C3H5L(59)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4116; RMG #4116 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C6H10R(90)<=>C4H8(157)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4117; RMG #4117 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C6H10R(90)<=>C5H8(173)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4118; RMG #4118 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10R(90)<=>C5H8(180)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4119; RMG #4119 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(90)<=>C6H8(118)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4120; RMG #4120 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(65)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4121; RMG #4121 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(69)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4122; RMG #4122 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(66)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4123; RMG #4123 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(68)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4124; RMG #4124 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(72)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4125; RMG #4125 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(73)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4126; RMG #4126 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(71)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4127; RMG #4127 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(67)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4128; RMG #4128 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H17LR(70)<=>C6H9R(285)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4129; RMG #4129 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H20R(64)<=>C6H9R(285)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4130; RMG #4130 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H20L(76)<=>C6H9R(285)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4131; RMG #4131 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H10R(90)<=>CC(C)L(13)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4132; RMG #4132 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10R(90)<=>CCCC(C)L(16)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4133; RMG #4133 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(17); C6H10R(171), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C6H10R(90)<=>C6H9R(285)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4134; RMG #4134 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H10R(90)<=>CC(C)CR(20)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4135; RMG #4135 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C6H10R(90)<=>CR(22)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4136; RMG #4136 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C7H14R(9)<=>C6H9R(285)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4137; RMG #4137 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C6H12L(11)<=>C6H9R(285)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4138; RMG #4138 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C6H10R(90)<=>CCL(26)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4139; RMG #4139 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10R(90)<=>CCCR(27)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4140; RMG #4140 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H9R(285)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4141; RMG #4141 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C6H10R(90)<=>CC(L)CC(C)L(35)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4142; RMG #4142 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C8H16L(15)<=>C6H9R(285)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4143; RMG #4143 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(171), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C6H10R(90)<=>C6H9R(285)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4144; RMG #4144 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C6H10R(90)<=>C4H7R(60)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4145; RMG #4145 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C8H14L(112)<=>C6H9R(285)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4146; RMG #4146 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C6H10R(90)<=>C(75)+C6H9R(285) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #4147; RMG #4147 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C6H10R(90)<=>C(75)+C6H9R(285) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #4148; RMG #4148 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C6H10R(90)<=>[H][H](83)+C6H9R(285) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #4149; RMG #4149 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C6H10R(90)<=>C3H5L(86)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4150; RMG #4150 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C7H15(85)<=>C6H9R(285)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4151; RMG #4151 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C6H10R(90)<=>CCC(95)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4152; RMG #4152 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10R(90)<=>CCC(95)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4153; RMG #4153 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C6H10L(169)<=>C6H9R(285)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4154; RMG #4154 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H10(116); C6H9(160), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10R(90)<=>C6H9R(285)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4155; RMG #4155 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H10R(90)<=>C6H8(118)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4156; RMG #4156 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C7H12R(199)<=>C6H9R(285)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4157; RMG #4157 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H10R(90)<=>C6H8(125)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4158; RMG #4158 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H13(202)<=>C6H9R(285)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4159; RMG #4159 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C6H10R(90)<=>C5H6(187)+C6H9R(285) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #4160; RMG #4160 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C11H15(234)<=>C6H9R(285)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4161; RMG #4161 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), C7H12R(286); C6H9R(285), C7H12R(286); -! From training reaction 94 used for Cds-CsH_Cds-CdCs;CsJ-HHH -! Exact match found for rate rule [Cds-CsH_Cds-CdCs;CsJ-HHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -CH3(74)+C6H9R(285)<=>C7H12R(286) 1.079950e+05 2.652 -2.017 - -! Reaction index: Chemkin #4162; RMG #4162 -! Library reaction: restart -! Flux pairs: H(82), C6H9R(285); C6H8R(287), C6H9R(285); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C6H8R(287)<=>C6H9R(285) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #4163; RMG #4163 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H9R(285)<=>CC(C)CR(20)+C6H8R(287) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4164; RMG #4164 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C6H9R(285)<=>CCCR(27)+C6H8R(287) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4165; RMG #4165 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C[CH]CC(C)CR(5)<=>C6H8R(287)+CCCC(C)CR(32) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4166; RMG #4166 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H9R(285)<=>CC(C)L(13)+C6H8R(287) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4167; RMG #4167 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C7H14R(9)<=>C6H8R(287)+CC(C)CC(C)CR(23) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4168; RMG #4168 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H9R(285)<=>CCCC(C)L(16)+C6H8R(287) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4169; RMG #4169 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C6H9R(285)<=>CCL(26)+C6H8R(287) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4170; RMG #4170 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H12L(11)<=>C6H8R(287)+CC(C)CC(C)L(25) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4171; RMG #4171 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H8R(287)<=>C3H5R(12)+C6H9R(285) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #4172; RMG #4172 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C6H9R(285)<=>CR(22)+C6H8R(287) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4173; RMG #4173 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(285)+C6H11R(17) 1.225850e+27 -4.376 8.002 - -! Reaction index: Chemkin #4174; RMG #4174 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H8R(287)<=>C3H6(18)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4175; RMG #4175 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H8R(287)<=>C3H6(18)+C6H9R(285) 2.451710e+27 -4.376 8.092 - -! Reaction index: Chemkin #4176; RMG #4176 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H8R(287)<=>C2H3L(19)+C6H9R(285) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #4177; RMG #4177 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C8H16L(15)<=>C6H9R(285)+C8H15L(21) 1.225850e+27 -4.376 8.002 - -! Reaction index: Chemkin #4178; RMG #4178 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(24)+C6H9R(285) 1.225850e+27 -4.376 8.002 - -! Reaction index: Chemkin #4179; RMG #4179 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(285)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4180; RMG #4180 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(57)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4181; RMG #4181 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H8R(287)<=>C3H5R(58)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4182; RMG #4182 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H8R(287)<=>C3H5L(59)+C6H9R(285) 7.830000e+11 0.000 0.211 - -! Reaction index: Chemkin #4183; RMG #4183 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H8R(287)<=>C4H7R(60)+C6H9R(285) 7.830000e+11 0.000 0.211 - -! Reaction index: Chemkin #4184; RMG #4184 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C8H16L(15)<=>C6H9R(285)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4185; RMG #4185 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H8R(287)+C7H14R(9)<=>C6H9R(285)+C7H13R(62) 7.830000e+11 0.000 0.172 - -! Reaction index: Chemkin #4186; RMG #4186 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H8R(287)+C6H12L(11)<=>C6H9R(285)+C6H11L(63) 7.830000e+11 0.000 0.172 - -! Reaction index: Chemkin #4187; RMG #4187 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C9H17LR(66)<=>C6H8R(287)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4188; RMG #4188 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C9H17LR(67)<=>C6H8R(287)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4189; RMG #4189 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C9H17LR(68)<=>C6H8R(287)+RC10L(1) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4190; RMG #4190 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C9H17LR(70)<=>C6H8R(287)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4191; RMG #4191 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C9H17LR(71)<=>C6H8R(287)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4192; RMG #4192 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C9H17LR(73)<=>C6H8R(287)+RC10L(1) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4193; RMG #4193 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C(75), CH3(74); -! From training reaction 829 used for C_methane;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C_methane;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H8R(287)<=>CH3(74)+C6H9R(285) 5.600000e-02 4.340 25.080 - -! Reaction index: Chemkin #4194; RMG #4194 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C5H9L(57), C5H8L(77); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H8R(287)<=>C5H8L(77)+C6H9R(285) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4195; RMG #4195 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(77)+C6H9R(285)<=>C5H9L(84)+C6H8R(287) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4196; RMG #4196 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C6H9R(285)<=>C3H5R(12)+C6H8R(287) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4197; RMG #4197 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C6H9R(285)<=>C3H5R(58)+C6H8R(287) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4198; RMG #4198 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C6H9R(285)<=>C4H7R(60)+C6H8R(287) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4199; RMG #4199 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C6H9R(285)<=>C4H7R(81)+C6H8R(287) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4200; RMG #4200 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(89)+C6H9R(285)<=>C5H9L(24)+C6H8R(287) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4201; RMG #4201 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8L(89)+C6H9R(285)<=>C5H9L(57)+C6H8R(287) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4202; RMG #4202 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H8R(287), C6H9R(285); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C6H11R(56)<=>C6H9R(285)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4203; RMG #4203 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H10R(90)<=>C6H8R(287)+C6H11R(98) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4204; RMG #4204 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); CCC(95), C[CH]C(94); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H8R(287)<=>C[CH]C(94)+C6H9R(285) 2.920000e-02 4.340 18.555 - -! Reaction index: Chemkin #4205; RMG #4205 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C3H6(18), C3H5(102); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H8R(287)<=>C3H5(102)+C6H9R(285) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4206; RMG #4206 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H10L(103)<=>C6H8R(287)+C6H11L(63) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4207; RMG #4207 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H10L(103)<=>C6H8R(287)+C6H11L(107) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4208; RMG #4208 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C7H12R(108)<=>C6H8R(287)+C7H13R(62) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4209; RMG #4209 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C7H12R(108)<=>C6H8R(287)+C7H13R(120) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4210; RMG #4210 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H8R(287), C6H9R(285); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C8H15L(61)<=>C6H9R(285)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4211; RMG #4211 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C6H8R(287), C6H9R(285); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8R(287)+C6H10(110)<=>C6H9R(285)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4212; RMG #4212 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H9(114)<=>C6H8R(287)+C6H10(116) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4213; RMG #4213 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H9R(285); C6H8R(287), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C6H9(114)<=>C6H8(118)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4214; RMG #4214 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H9R(285); C6H8R(287), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C6H9(114)<=>C6H8(125)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4215; RMG #4215 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H9R(285); C6H8R(287), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H8R(287)+C6H9(160)<=>C6H8(125)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4216; RMG #4216 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C6H9R(285)<=>C3H5L(59)+C6H8R(287) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #4217; RMG #4217 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7(156)+C6H9R(285)<=>C4H8(157)+C6H8R(287) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #4218; RMG #4218 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H10(116); C6H9(160), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C6H9(160)+C6H9R(285)<=>C6H8R(287)+C6H10(116) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #4219; RMG #4219 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H8R(287), C6H9R(285); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C6H11L(107)<=>C6H9R(285)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4220; RMG #4220 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H10R(171)<=>C6H8R(287)+C6H11R(17) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4221; RMG #4221 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C6H10R(171)<=>C6H8R(287)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4222; RMG #4222 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C6H8R(287)<=>C5H7(174)+C6H9R(285) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4223; RMG #4223 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C5H7(178), C5H8(180); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C5H7(178)+C6H9R(285)<=>C5H8(180)+C6H8R(287) 5.382000e-03 4.340 14.300 - -! Reaction index: Chemkin #4224; RMG #4224 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C10H15(183)<=>C6H9R(285)+C10H14(184) 1.225850e+27 -4.376 10.743 - -! Reaction index: Chemkin #4225; RMG #4225 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H8R(287)<=>C5H6(187)+C6H9R(285) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4226; RMG #4226 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C5H6(187), C5H5(189); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H8R(287)<=>C5H5(189)+C6H9R(285) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #4227; RMG #4227 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C8H13(191)<=>C6H9R(285)+C8H12(194) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #4228; RMG #4228 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H8R(287), C6H9R(285); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C7H13R(120)<=>C6H9R(285)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4229; RMG #4229 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C10H13(202)<=>C6H9R(285)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4230; RMG #4230 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C6H9R(285)<=>C3H5L(86)+C6H8R(287) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4231; RMG #4231 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C6H9R(285)<=>C4H7R(60)+C6H8R(287) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #4232; RMG #4232 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H8R(287)<=>C6H7(239)+C6H9R(285) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #4233; RMG #4233 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H8R(287)<=>C6H6(252)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4234; RMG #4234 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H8R(287)<=>C6H6(252)+C6H9R(285) 1.225850e+27 -4.376 12.126 - -! Reaction index: Chemkin #4235; RMG #4235 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H8R(287)<=>C5H7L(262)+C6H9R(285) 7.830000e+11 0.000 1.042 - -! Reaction index: Chemkin #4236; RMG #4236 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H9R(285); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H8R(287)<=>C5H7L(262)+C6H9R(285) 1.225850e+27 -4.376 10.947 - -! Reaction index: Chemkin #4237; RMG #4237 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H15(256)<=>C6H9R(285)+C11H14(271) 1.225850e+27 -4.376 10.743 - -! Reaction index: Chemkin #4238; RMG #4238 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H13(260)<=>C6H9R(285)+C9H12(272) 1.225850e+27 -4.376 8.206 - -! Reaction index: Chemkin #4239; RMG #4239 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C6H10R(90)<=>C6H9R(285)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4240; RMG #4240 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H8R(287), C6H9R(285); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+RC10L(1)<=>C6H9R(285)+C9H17LR(65) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #4241; RMG #4241 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H8R(287), C6H9R(285); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+RC10L(1)<=>C6H9R(285)+C9H17LR(69) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #4242; RMG #4242 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H8R(287), C6H9R(285); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+RC10L(1)<=>C6H9R(285)+C9H17LR(72) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #4243; RMG #4243 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C7H15(85)<=>C6H8R(287)+CC(C)CC(C)C(87) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4244; RMG #4244 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C6H8(118), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H8R(287)<=>C6H7(123)+C6H9R(285) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #4245; RMG #4245 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C6H8(125), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H8R(287)<=>C6H7(123)+C6H9R(285) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #4246; RMG #4246 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C6H9R(285)<=>CCC(95)+C6H8R(287) 1.344360e-04 4.649 4.528 - -! Reaction index: Chemkin #4247; RMG #4247 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H8R(287)<=>C5H9L2(203)+C6H9R(285) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #4248; RMG #4248 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C12H15(283)<=>C6H9R(285)+C12H14(244) 1.225850e+27 -4.376 12.042 - -! Reaction index: Chemkin #4249; RMG #4249 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H15(226)<=>C6H9R(285)+C11H14(278) 1.225850e+27 -4.376 12.042 - -! Reaction index: Chemkin #4250; RMG #4250 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C10H20R(64)<=>C6H8R(287)+RC10(2) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4251; RMG #4251 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C10H20L(76)<=>C6H8R(287)+LC10(3) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4252; RMG #4252 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C8H16L(15)<=>C6H8R(287)+C8H17L(49) 9.781930e-04 4.260 6.640 - -! Reaction index: Chemkin #4253; RMG #4253 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); [H][H](83), H(82); -! From training reaction 789 used for H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 101.3 to 102.4 kJ/mol to match endothermicity of reaction. -! Ea raised from 102.4 to 102.4 kJ/mol to match endothermicity of reaction. -[H][H](83)+C6H8R(287)<=>H(82)+C6H9R(285) 6.060000e-02 4.340 24.463 - -! Reaction index: Chemkin #4254; RMG #4254 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C10H13(202)<=>C6H8R(287)+C10H14(179) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4255; RMG #4255 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C11H15(234)<=>C6H8R(287)+C11H16(229) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4256; RMG #4256 -! Library reaction: restart -! Flux pairs: C6H8R(287), C6H8R(288); -! Estimated from node Backbone2_Sp-3R!H=1R!H_N-4R!H->S -C6H8R(287)<=>C6H8R(288) 1.572550e+29 -4.713 39.000 - -! Reaction index: Chemkin #4257; RMG #4257 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H13LR(289); C6H8R(287), C10H13LR(289); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H8R(287)<=>C10H13LR(289) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #4258; RMG #4258 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H9(114); C6H8(290), C6H9(114); -! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H8(290)<=>C6H9(114) 2.580000e+08 1.640 -0.720 - -! Reaction index: Chemkin #4259; RMG #4259 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H9(114)<=>CCCR(27)+C6H8(290) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4260; RMG #4260 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H9(114)<=>CCL(26)+C6H8(290) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4261; RMG #4261 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C6H9(114)<=>CR(22)+C6H8(290) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4262; RMG #4262 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C6H9(114)<=>C(75)+C6H8(290) 1.225850e+27 -4.376 5.442 - -! Reaction index: Chemkin #4263; RMG #4263 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H9(114)<=>C5H9L(57)+C6H8(290) 1.225850e+27 -4.376 10.889 - -! Reaction index: Chemkin #4264; RMG #4264 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H9(114)<=>C5H9L(84)+C6H8(290) 1.225850e+27 -4.376 10.478 - -! Reaction index: Chemkin #4265; RMG #4265 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C6H9(114)<=>C3H5R(12)+C6H8(290) 1.225850e+27 -4.376 10.329 - -! Reaction index: Chemkin #4266; RMG #4266 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C6H9(114)<=>C3H5R(58)+C6H8(290) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4267; RMG #4267 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C6H9(114)<=>C4H7R(60)+C6H8(290) 1.225850e+27 -4.376 10.329 - -! Reaction index: Chemkin #4268; RMG #4268 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C6H9(114)<=>C4H7R(81)+C6H8(290) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4269; RMG #4269 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C6H9(114)<=>C5H9L(24)+C6H8(290) 1.225850e+27 -4.376 10.493 - -! Reaction index: Chemkin #4270; RMG #4270 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C6H9(114)<=>C5H9L(57)+C6H8(290) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4271; RMG #4271 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(56); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10R(90)<=>C6H8(290)+C6H11R(56) 1.225850e+27 -4.376 10.889 - -! Reaction index: Chemkin #4272; RMG #4272 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H11R(98); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10R(90)<=>C6H8(290)+C6H11R(98) 1.225850e+27 -4.376 10.478 - -! Reaction index: Chemkin #4273; RMG #4273 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C6H9(114)<=>CCC(95)+C6H8(290) 1.225850e+27 -4.376 6.840 - -! Reaction index: Chemkin #4274; RMG #4274 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C6H9(114)<=>C3H6(18)+C6H8(290) 2.451710e+27 -4.376 9.514 - -! Reaction index: Chemkin #4275; RMG #4275 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(63); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10L(103)<=>C6H8(290)+C6H11L(63) 1.225850e+27 -4.376 10.493 - -! Reaction index: Chemkin #4276; RMG #4276 -! Library reaction: restart -! Flux pairs: C6H10L(103), C6H11L(107); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10L(103)<=>C6H8(290)+C6H11L(107) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4277; RMG #4277 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(62); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C7H12R(108)<=>C6H8(290)+C7H13R(62) 1.225850e+27 -4.376 10.493 - -! Reaction index: Chemkin #4278; RMG #4278 -! Library reaction: restart -! Flux pairs: C7H12R(108), C7H13R(120); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C7H12R(108)<=>C6H8(290)+C7H13R(120) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4279; RMG #4279 -! Library reaction: restart -! Flux pairs: C6H9(113), C6H10(110); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H9(113)<=>C6H8(290)+C6H10(110) 1.225850e+27 -4.376 12.074 - -! Reaction index: Chemkin #4280; RMG #4280 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H9(114)<=>C6H8(290)+C6H10(116) 1.225850e+27 -4.376 11.229 - -! Reaction index: Chemkin #4281; RMG #4281 -! Library reaction: restart -! Flux pairs: C8H14L(112), C8H15L(61); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C8H14L(112)<=>C6H8(290)+C8H15L(61) 1.225850e+27 -4.376 10.889 - -! Reaction index: Chemkin #4282; RMG #4282 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C6H9(114)<=>C4H8(157)+C6H8(290) 2.451710e+27 -4.376 9.105 - -! Reaction index: Chemkin #4283; RMG #4283 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H10(116); C6H9(160), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C6H9(114)<=>C6H8(290)+C6H10(116) 2.451710e+27 -4.376 11.229 - -! Reaction index: Chemkin #4284; RMG #4284 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C6H9(114)<=>C5H8(173)+C6H8(290) 2.451710e+27 -4.376 11.960 - -! Reaction index: Chemkin #4285; RMG #4285 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C6H9(114)<=>C5H8(180)+C6H8(290) 2.451710e+27 -4.376 11.229 - -! Reaction index: Chemkin #4286; RMG #4286 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H7(239), C6H8(290); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+RC10L(1)<=>C6H8(290)+C9H17LR(65) 6.950000e-03 4.340 19.640 - -! Reaction index: Chemkin #4287; RMG #4287 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H7(239), C6H8(290); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+RC10L(1)<=>C6H8(290)+C9H17LR(69) 6.950000e-03 4.340 19.640 - -! Reaction index: Chemkin #4288; RMG #4288 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C9H17LR(66)<=>C6H7(239)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4289; RMG #4289 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C9H17LR(68)<=>C6H7(239)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4290; RMG #4290 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H7(239), C6H8(290); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+RC10L(1)<=>C6H8(290)+C9H17LR(72) 6.950000e-03 4.340 19.640 - -! Reaction index: Chemkin #4291; RMG #4291 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C9H17LR(73)<=>C6H7(239)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4292; RMG #4292 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C9H17LR(71)<=>C6H7(239)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4293; RMG #4293 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C9H17LR(67)<=>C6H7(239)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4294; RMG #4294 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C9H17LR(70)<=>C6H7(239)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4295; RMG #4295 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C10H20R(64)<=>C6H7(239)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4296; RMG #4296 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C10H20L(76)<=>C6H7(239)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4297; RMG #4297 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H7(239)<=>C2H3L(19)+C6H8(290) 1.225850e+27 -4.376 9.038 - -! Reaction index: Chemkin #4298; RMG #4298 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H8(290)<=>C3H5R(12)+C6H7(239) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4299; RMG #4299 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H8(290)<=>CC(C)L(13)+C6H7(239) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4300; RMG #4300 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H8(290)<=>CCCC(C)L(16)+C6H7(239) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4301; RMG #4301 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H10R(171)<=>C6H7(239)+C6H11R(17) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4302; RMG #4302 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H7(239)<=>C3H5(102)+C6H8(290) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4303; RMG #4303 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H8(290)<=>CC(C)CR(20)+C6H7(239) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4304; RMG #4304 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H8(290)<=>CR(22)+C6H7(239) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4305; RMG #4305 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C7H14R(9)<=>C6H7(239)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4306; RMG #4306 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H8(290)<=>C5H9L(24)+C6H7(239) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4307; RMG #4307 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H12L(11)<=>C6H7(239)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4308; RMG #4308 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H8(290)<=>CCL(26)+C6H7(239) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4309; RMG #4309 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H8(290)<=>CCCR(27)+C6H7(239) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4310; RMG #4310 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C[CH]CC(C)CR(5)<=>C6H7(239)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4311; RMG #4311 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H7(239)<=>C5H9L2(203)+C6H8(290) 1.390000e-02 4.340 19.640 - -! Reaction index: Chemkin #4312; RMG #4312 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C8H16L(15)<=>C6H7(239)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4313; RMG #4313 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H7(239), C6H8(290); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+C6H11R(56)<=>C6H8(290)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4314; RMG #4314 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H10R(171)<=>C6H7(239)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4315; RMG #4315 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H7(239)<=>C5H8L(77)+C6H8(290) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4316; RMG #4316 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H8(290)<=>C5H9L(57)+C6H7(239) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4317; RMG #4317 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H8(290)<=>C3H5R(58)+C6H7(239) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4318; RMG #4318 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H8(290)<=>C3H5L(59)+C6H7(239) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #4319; RMG #4319 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H8(290)<=>C4H7R(60)+C6H7(239) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #4320; RMG #4320 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H8(290)<=>C4H7R(60)+C6H7(239) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4321; RMG #4321 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H7(239), C6H8(290); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+C8H15L(61)<=>C6H8(290)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4322; RMG #4322 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C7H12R(108)<=>C6H7(239)+C7H13R(62) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4323; RMG #4323 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H10L(103)<=>C6H7(239)+C6H11L(63) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4324; RMG #4324 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H7(239)<=>CH3(74)+C6H8(290) 4.240000e-02 4.340 28.220 - -! Reaction index: Chemkin #4325; RMG #4325 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H7(239)<=>C5H7L(262)+C6H8(290) 1.225850e+27 -4.376 11.938 - -! Reaction index: Chemkin #4326; RMG #4326 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H8(290)<=>C4H7R(81)+C6H7(239) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4327; RMG #4327 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 114.4 to 116.1 kJ/mol to match endothermicity of reaction. -! Ea raised from 116.1 to 116.1 kJ/mol to match endothermicity of reaction. -[H][H](83)+C6H7(239)<=>H(82)+C6H8(290) 4.580000e-02 4.340 27.757 - -! Reaction index: Chemkin #4328; RMG #4328 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H8(290)<=>C5H9L(84)+C6H7(239) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4329; RMG #4329 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H8(290)<=>C3H5L(86)+C6H7(239) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4330; RMG #4330 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C7H15(85)<=>C6H7(239)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4331; RMG #4331 -! Library reaction: restart -! Flux pairs: C6H10R(90), C6H9R(285); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(90)<=>C6H8(290)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4332; RMG #4332 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H7(239)<=>C[CH]C(94)+C6H8(290) 1.476000e-02 4.340 21.695 - -! Reaction index: Chemkin #4333; RMG #4333 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H8(290)<=>CCC(95)+C6H7(239) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4334; RMG #4334 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H10R(90)<=>C6H7(239)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4335; RMG #4335 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H7(239), C6H8(290); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+C6H11L(107)<=>C6H8(290)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4336; RMG #4336 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H10L(103)<=>C6H7(239)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4337; RMG #4337 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H9(113)<=>C6H7(239)+C6H10(110) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4338; RMG #4338 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(290)+C6H9(160)<=>C6H7(239)+C6H10(116) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #4339; RMG #4339 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H9(114)<=>C6H7(239)+C6H10(116) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4340; RMG #4340 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H8(290); C6H7(239), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(239)+C6H8(118)<=>C6H7(123)+C6H8(290) 1.962000e-03 4.340 7.980 - -! Reaction index: Chemkin #4341; RMG #4341 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H8(118); C6H7(239), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(239)+C6H8(290)<=>C6H7(239)+C6H8(118) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4342; RMG #4342 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H7(239), C6H8(290); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+C7H13R(120)<=>C6H8(290)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4343; RMG #4343 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C7H12R(108)<=>C6H7(239)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4344; RMG #4344 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(125), C6H8(290); C6H7(239), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(239)+C6H8(125)<=>C6H7(123)+C6H8(290) 1.962000e-03 4.340 7.630 - -! Reaction index: Chemkin #4345; RMG #4345 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H8(290)<=>C4H8(157)+C6H7(239) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #4346; RMG #4346 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C5H7(174), C5H8(173); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(174)+C6H8(290)<=>C5H8(173)+C6H7(239) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #4347; RMG #4347 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C5H7(178), C5H8(180); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+C6H8(290)<=>C5H8(180)+C6H7(239) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #4348; RMG #4348 -! Template reaction: H_Abstraction -! Flux pairs: C6H7(239), C6H8(290); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H7(239)<=>C5H5(189)+C6H8(290) 1.962000e-03 4.340 8.052 - -! Reaction index: Chemkin #4349; RMG #4349 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H7(239)<=>C6H6(252)+C6H8(290) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4350; RMG #4350 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H7(239)<=>C5H7L(262)+C6H8(290) 5.258140e+13 -0.550 1.466 - -! Reaction index: Chemkin #4351; RMG #4351 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.225850e+27 -4.376 11.960 -DUPLICATE - -! Reaction index: Chemkin #4352; RMG #4352 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4353; RMG #4353 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(290) 1.225850e+27 -4.376 13.005 - -! Reaction index: Chemkin #4354; RMG #4354 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #4355; RMG #4355 -! Library reaction: restart -! Flux pairs: C6H9(160), C6H8(125); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(239)+C6H9(160)<=>C6H8(290)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4356; RMG #4356 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H7(239)<=>C5H6(187)+C6H8(290) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4357; RMG #4357 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C10H13(202)<=>C6H7(239)+C10H14(179) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4358; RMG #4358 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C11H15(234)<=>C6H7(239)+C11H16(229) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4359; RMG #4359 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H7(239)<=>C3H5R(58)+C6H8(290) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4360; RMG #4360 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H7(239)<=>C3H5R(12)+C6H8(290) 1.225850e+27 -4.376 9.038 - -! Reaction index: Chemkin #4361; RMG #4361 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(290) 1.225850e+27 -4.376 13.179 - -! Reaction index: Chemkin #4362; RMG #4362 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H7(239)<=>C3H6(18)+C6H8(290) 2.451710e+27 -4.376 8.917 - -! Reaction index: Chemkin #4363; RMG #4363 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H8R(287)<=>C6H7(239)+C6H9R(285) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4364; RMG #4364 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H9R(285); C6H8R(287), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C6H9(114)<=>C6H8(290)+C6H9R(285) 1.225850e+27 -4.376 11.960 - -! Reaction index: Chemkin #4365; RMG #4365 -! Library reaction: restart -! Flux pairs: H(82), C6H8(290); C6H7(239), C6H8(290); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C6H7(239)<=>C6H8(290) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #4366; RMG #4366 -! Library reaction: restart -! Flux pairs: C9H17LR(65), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(65)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 7.322 - -! Reaction index: Chemkin #4367; RMG #4367 -! Library reaction: restart -! Flux pairs: C9H17LR(69), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(69)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 7.322 - -! Reaction index: Chemkin #4368; RMG #4368 -! Library reaction: restart -! Flux pairs: C9H17LR(66), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(66)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4369; RMG #4369 -! Library reaction: restart -! Flux pairs: C9H17LR(68), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(68)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4370; RMG #4370 -! Library reaction: restart -! Flux pairs: C9H17LR(72), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(72)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 7.322 - -! Reaction index: Chemkin #4371; RMG #4371 -! Library reaction: restart -! Flux pairs: C9H17LR(73), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(73)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4372; RMG #4372 -! Library reaction: restart -! Flux pairs: C9H17LR(71), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(71)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4373; RMG #4373 -! Library reaction: restart -! Flux pairs: C9H17LR(67), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(67)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4374; RMG #4374 -! Library reaction: restart -! Flux pairs: C9H17LR(70), RC10L(1); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H17LR(70)<=>C6H8(290)+RC10L(1) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4375; RMG #4375 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C10H20R(64)<=>C6H8(290)+RC10(2) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4376; RMG #4376 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C10H20L(76)<=>C6H8(290)+LC10(3) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4377; RMG #4377 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C6H9(114)<=>CC(C)L(13)+C6H8(290) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4378; RMG #4378 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H9(114)<=>CCCC(C)L(16)+C6H8(290) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4379; RMG #4379 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(17); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10R(171)<=>C6H8(290)+C6H11R(17) 1.225850e+27 -4.376 10.493 - -! Reaction index: Chemkin #4380; RMG #4380 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(290)+C6H11R(17) 1.225850e+27 -4.376 8.821 - -! Reaction index: Chemkin #4381; RMG #4381 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H7(239)<=>C3H6(18)+C6H8(290) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4382; RMG #4382 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C6H9(114)<=>CC(C)CR(20)+C6H8(290) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4383; RMG #4383 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C8H16L(15)<=>C6H8(290)+C8H15L(21) 1.225850e+27 -4.376 8.821 - -! Reaction index: Chemkin #4384; RMG #4384 -! Library reaction: restart -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C7H14R(9)<=>C6H8(290)+CC(C)CC(C)CR(23) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4385; RMG #4385 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(24)+C6H8(290) 1.225850e+27 -4.376 8.821 - -! Reaction index: Chemkin #4386; RMG #4386 -! Library reaction: restart -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H12L(11)<=>C6H8(290)+CC(C)CC(C)L(25) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4387; RMG #4387 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C[CH]CC(C)CR(5)<=>C6H8(290)+CCCC(C)CR(32) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4388; RMG #4388 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C6H9(114)<=>CC(L)CC(C)L(35)+C6H8(290) 1.225850e+27 -4.376 7.322 - -! Reaction index: Chemkin #4389; RMG #4389 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H17L(49); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C8H16L(15)<=>C6H8(290)+C8H17L(49) 1.225850e+27 -4.376 6.864 - -! Reaction index: Chemkin #4390; RMG #4390 -! Library reaction: restart -! Flux pairs: C6H10R(171), C6H11R(56); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10R(171)<=>C6H8(290)+C6H11R(56) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4391; RMG #4391 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(290)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4392; RMG #4392 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(57)+C6H8(290) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4393; RMG #4393 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C6H9(114)<=>C3H5L(59)+C6H8(290) 2.451710e+27 -4.376 9.481 - -! Reaction index: Chemkin #4394; RMG #4394 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H7(239)<=>C3H5L(59)+C6H8(290) 5.258140e+13 -0.550 0.407 - -! Reaction index: Chemkin #4395; RMG #4395 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C6H9(114)<=>C4H7R(60)+C6H8(290) 2.451710e+27 -4.376 9.481 - -! Reaction index: Chemkin #4396; RMG #4396 -! Library reaction: restart -! Flux pairs: C6H7(239), C6H8(290); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H7(239)<=>C4H7R(60)+C6H8(290) 5.258140e+13 -0.550 0.407 - -! Reaction index: Chemkin #4397; RMG #4397 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C8H16L(15)<=>C6H8(290)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4398; RMG #4398 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H7(239)+C7H14R(9)<=>C6H8(290)+C7H13R(62) 5.258140e+13 -0.550 0.351 - -! Reaction index: Chemkin #4399; RMG #4399 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(63); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H7(239)+C6H12L(11)<=>C6H8(290)+C6H11L(63) 5.258140e+13 -0.550 0.351 - -! Reaction index: Chemkin #4400; RMG #4400 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C6H9(114)<=>[H][H](83)+C6H8(290) 1.225850e+27 -4.376 5.618 - -! Reaction index: Chemkin #4401; RMG #4401 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C6H9(114)<=>C3H5L(86)+C6H8(290) 1.225850e+27 -4.376 9.481 - -! Reaction index: Chemkin #4402; RMG #4402 -! Library reaction: restart -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C7H15(85)<=>C6H8(290)+CC(C)CC(C)C(87) 1.225850e+27 -4.376 6.271 - -! Reaction index: Chemkin #4403; RMG #4403 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C6H9(114)<=>CCC(95)+C6H8(290) 1.225850e+27 -4.376 6.168 - -! Reaction index: Chemkin #4404; RMG #4404 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(107); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10L(169)<=>C6H8(290)+C6H11L(107) 1.225850e+27 -4.376 10.889 - -! Reaction index: Chemkin #4405; RMG #4405 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(123), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C6H9(114)<=>C6H8(290)+C6H8(118) 2.451710e+27 -4.376 10.454 - -! Reaction index: Chemkin #4406; RMG #4406 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.225850e+27 -4.376 11.960 -DUPLICATE - -! Reaction index: Chemkin #4407; RMG #4407 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(118) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #4408; RMG #4408 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(120); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C7H12R(199)<=>C6H8(290)+C7H13R(120) 1.225850e+27 -4.376 10.889 - -! Reaction index: Chemkin #4409; RMG #4409 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(125); C6H7(123), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C6H9(114)<=>C6H8(290)+C6H8(125) 2.451710e+27 -4.376 10.559 - -! Reaction index: Chemkin #4410; RMG #4410 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H14(179); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C10H13(202)<=>C6H8(290)+C10H14(179) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #4411; RMG #4411 -! Library reaction: restart -! Flux pairs: C6H9(114), C6H8(290); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C6H9(114)<=>C5H6(187)+C6H8(290) 6.129270e+27 -4.376 10.433 - -! Reaction index: Chemkin #4412; RMG #4412 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C8H13(191)<=>C6H8(290)+C8H12(194) 1.225850e+27 -4.376 9.038 - -! Reaction index: Chemkin #4413; RMG #4413 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H15(234)<=>C6H8(290)+C11H16(229) 1.225850e+27 -4.376 11.229 - -! Reaction index: Chemkin #4414; RMG #4414 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H13(260)<=>C6H8(290)+C9H12(272) 1.225850e+27 -4.376 9.038 - -! Reaction index: Chemkin #4415; RMG #4415 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C10H15(183)<=>C6H8(290)+C10H14(184) 1.225850e+27 -4.376 11.722 - -! Reaction index: Chemkin #4416; RMG #4416 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H13(202)<=>C6H8(290)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4417; RMG #4417 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H15(283)<=>C6H8(290)+C12H14(244) 1.225850e+27 -4.376 13.090 - -! Reaction index: Chemkin #4418; RMG #4418 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(256)<=>C6H8(290)+C11H14(271) 1.225850e+27 -4.376 11.722 - -! Reaction index: Chemkin #4419; RMG #4419 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(226)<=>C6H8(290)+C11H14(278) 1.225850e+27 -4.376 13.090 - -! Reaction index: Chemkin #4420; RMG #4420 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H4(196), C8H12R(291); C6H8R(287), C8H12R(291); -! From training reaction 13 used for Cds-HH_Cds-HH;CsJ-CdCdH -! Exact match found for rate rule [Cds-HH_Cds-HH;CsJ-CdCdH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C2H4(196)+C6H8R(287)<=>C8H12R(291) 2.971820e+02 2.951 4.541 - -! Reaction index: Chemkin #4421; RMG #4421 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5L(91), C10H12L(292); C6H7(239), C10H12L(292); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H5L(91)+C6H7(239)<=>C10H12L(292) 1.190000e+04 2.410 10.290 - -! Reaction index: Chemkin #4422; RMG #4422 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H12L(293); C6H7(239), C9H12L(293); -! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H7(239)<=>C9H12L(293) 4.860000e+03 2.410 10.980 - -! Reaction index: Chemkin #4423; RMG #4423 -! Library reaction: restart -! Flux pairs: C12H18L(259), C12H18L(294); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C12H18L(259)<=>C12H18L(294) 1.260000e+11 0.160 5.938 - -! Reaction index: Chemkin #4424; RMG #4424 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H15LR(295); C6H8R(287), C11H15LR(295); -! From training reaction 295 used for Cds-HH_Cds-CdCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H8R(287)<=>C11H15LR(295) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #4425; RMG #4425 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(296); C6H8R(287), C12H15R(296); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(287)<=>C12H15R(296) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4426; RMG #4426 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H14L(297); C6H7(239), C11H14L(297); -! From training reaction 296 used for Cds-HH_Cds-CdCs;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CdCs;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H7(239)<=>C11H14L(297) 4.920000e+03 2.410 8.150 - -! Reaction index: Chemkin #4427; RMG #4427 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H6(187), C11H13(298); C6H7(239), C11H13(298); -! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H6(187)+C6H7(239)<=>C11H13(298) 5.760000e+01 2.740 3.300 - -! Reaction index: Chemkin #4428; RMG #4428 -! Library reaction: restart -! Flux pairs: H(82), C11H14(276); C11H13(298), C11H14(276); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C11H13(298)<=>C11H14(276) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #4429; RMG #4429 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H13(298)<=>C3H5R(12)+C11H14(276) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4430; RMG #4430 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H13(298)<=>C6H11R(17)+C11H14(276) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #4431; RMG #4431 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C11H13(298)<=>C3H6(18)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4432; RMG #4432 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C11H13(298)<=>C3H6(18)+C11H14(276) 2.451710e+27 -4.376 7.580 - -! Reaction index: Chemkin #4433; RMG #4433 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H13(298)<=>C2H3L(19)+C11H14(276) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4434; RMG #4434 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H13(298)<=>C8H15L(21)+C11H14(276) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #4435; RMG #4435 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H13(298)<=>C5H9L(24)+C11H14(276) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #4436; RMG #4436 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C11H13(298)<=>C6H11R(56)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4437; RMG #4437 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C11H13(298)<=>C5H9L(57)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4438; RMG #4438 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C11H13(298)<=>C3H5R(58)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4439; RMG #4439 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C11H13(298)<=>C3H5L(59)+C11H14(276) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #4440; RMG #4440 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C11H13(298)<=>C4H7R(60)+C11H14(276) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #4441; RMG #4441 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C11H13(298)<=>C8H15L(61)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4442; RMG #4442 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C11H13(298)<=>C7H13R(62)+C11H14(276) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4443; RMG #4443 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C11H13(298)<=>C6H11L(63)+C11H14(276) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4444; RMG #4444 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H13(298)<=>C6H8(118)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4445; RMG #4445 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H13(298)<=>C6H8(125)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4446; RMG #4446 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C11H13(298)<=>C6H8(125)+C11H14(276) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4447; RMG #4447 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C11H13(298)<=>C5H6(187)+C11H14(276) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4448; RMG #4448 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C11H13(298)<=>C6H6(252)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4449; RMG #4449 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C11H13(298)<=>C6H6(252)+C11H14(276) 1.225850e+27 -4.376 11.468 - -! Reaction index: Chemkin #4450; RMG #4450 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C11H13(298)<=>C5H7L(262)+C11H14(276) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #4451; RMG #4451 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H13(298)<=>C5H7L(262)+C11H14(276) 1.225850e+27 -4.376 10.329 - -! Reaction index: Chemkin #4452; RMG #4452 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C11H13(298)<=>C8H12(194)+C11H14(276) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4453; RMG #4453 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(298), C11H14(276); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C11H13(298)<=>C6H7(239)+C11H14(276) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4454; RMG #4454 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(298), C11H14(276); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C11H13(298)<=>C6H7(239)+C11H14(276) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4455; RMG #4455 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C11H13(298)<=>C9H12(272)+C11H14(276) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4456; RMG #4456 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C11H13(298)<=>C6H9R(285)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4457; RMG #4457 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H13(298)<=>C6H8(290)+C11H14(276) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #4458; RMG #4458 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H13LR(299); C6H8R(287), C9H13LR(299); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H8R(287)<=>C9H13LR(299) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #4459; RMG #4459 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(300); C6H8R(287), C12H15R(300); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(287)<=>C12H15R(300) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4460; RMG #4460 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(301); C6H8R(287), C12H15R(301); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(287)<=>C12H15R(301) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4461; RMG #4461 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(302); C6H8R(287), C12H15R(302); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(287)<=>C12H15R(302) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4462; RMG #4462 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(303); C6H8R(287), C12H15R(303); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(287)<=>C12H15R(303) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4463; RMG #4463 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(304); C6H8R(287), C12H15R(304); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(287)<=>C12H15R(304) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4464; RMG #4464 -! Library reaction: restart -! Flux pairs: C6H8R(287), C12H16R2(305); C6H8R(287), C12H16R2(305); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C6H8R(287)+C6H8R(287)<=>C12H16R2(305) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4465; RMG #4465 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(306); C6H8R(288), C12H15R(306); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H8R(288)<=>C12H15R(306) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #4466; RMG #4466 -! Library reaction: restart -! Flux pairs: C10H12L(292), C10H12L(307); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H -C10H12L(292)<=>C10H12L(307) 9.450000e+10 0.290 11.829 - -! Reaction index: Chemkin #4467; RMG #4467 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(308); C6H9(160), C12H16(308); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(160)<=>C12H16(308) 1.000000e+14 -0.000 0.000 - -! Reaction index: Chemkin #4468; RMG #4468 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(309); C6H9(160), C12H16(309); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(160)<=>C12H16(309) 1.000000e+14 -0.000 0.000 - -! Reaction index: Chemkin #4469; RMG #4469 -! Library reaction: restart -! Flux pairs: C13H20R(281), C13H20R(310); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C13H20R(281)<=>C13H20R(310) 1.260000e+11 0.160 5.938 - -! Reaction index: Chemkin #4470; RMG #4470 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C9H13(311); C6H7(239), C9H13(311); -! Estimated using template [Cds-HH_Cds-Cs\H3/H;CsJ-CdHH] for rate rule [Cds-HH_Cds-Cs\H3/H;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H6(18)+C6H7(239)<=>C9H13(311) 7.800000e+02 2.530 11.000 - -! Reaction index: Chemkin #4471; RMG #4471 -! Library reaction: restart -! Flux pairs: C9H13(311), C9H13(312); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C9H13(311)<=>C9H13(312) 1.260000e+11 0.160 6.026 - -! Reaction index: Chemkin #4472; RMG #4472 -! Library reaction: restart -! Flux pairs: C9H13(311), C9H13(313); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C9H13(311)<=>C9H13(313) 1.260000e+11 0.160 9.310 - -! Reaction index: Chemkin #4473; RMG #4473 -! Library reaction: restart -! Flux pairs: C9H12L(241), C9H12L(314); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C9H12L(241)<=>C9H12L(314) 1.260000e+11 0.160 9.195 - -! Reaction index: Chemkin #4474; RMG #4474 -! Library reaction: restart -! Flux pairs: C6H8R(287), C12H16R2(315); C6H8R(287), C12H16R2(315); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C6H8R(287)+C6H8R(287)<=>C12H16R2(315) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4475; RMG #4475 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(298), C11H14(276); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C11H13(298)<=>C3H5(102)+C11H14(276) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4476; RMG #4476 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(276), C11H13(298); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C11H14(276)<=>CCL(26)+C11H13(298) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4477; RMG #4477 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C10H14R(316); C6H7(239), C10H14R(316); -! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H7R(60)+C6H7(239)<=>C10H14R(316) 4.860000e+03 2.410 10.980 - -! Reaction index: Chemkin #4478; RMG #4478 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.481 - -! Reaction index: Chemkin #4479; RMG #4479 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.481 - -! Reaction index: Chemkin #4480; RMG #4480 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4481; RMG #4481 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4482; RMG #4482 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.481 - -! Reaction index: Chemkin #4483; RMG #4483 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4484; RMG #4484 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4485; RMG #4485 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4486; RMG #4486 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C10H14R(316)<=>RC10L(1)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4487; RMG #4487 -! Library reaction: restart -! Flux pairs: C10H20R(64), RC10(2); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C10H20R(64)<=>C10H13R(240)+RC10(2) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4488; RMG #4488 -! Library reaction: restart -! Flux pairs: C10H20L(76), LC10(3); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C10H20L(76)<=>C10H13R(240)+LC10(3) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4489; RMG #4489 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C10H14R(316)<=>C3H5R(12)+C10H13R(240) 1.225850e+27 -4.376 6.748 - -! Reaction index: Chemkin #4490; RMG #4490 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C10H14R(316)<=>CC(C)L(13)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4491; RMG #4491 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C10H14R(316)<=>CCCC(C)L(16)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4492; RMG #4492 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C10H14R(316)<=>C6H11R(17)+C10H13R(240) 1.225850e+27 -4.376 6.874 - -! Reaction index: Chemkin #4493; RMG #4493 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C10H14R(316)<=>C3H6(18)+C10H13R(240) 2.451710e+27 -4.376 6.124 - -! Reaction index: Chemkin #4494; RMG #4494 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C10H14R(316)<=>CC(C)CR(20)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4495; RMG #4495 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C10H14R(316)<=>CR(22)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4496; RMG #4496 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C10H14R(316)<=>CC(C)CC(C)CR(23)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4497; RMG #4497 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C10H14R(316)<=>C5H9L(24)+C10H13R(240) 1.225850e+27 -4.376 6.874 - -! Reaction index: Chemkin #4498; RMG #4498 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C10H14R(316)<=>CC(C)CC(C)L(25)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4499; RMG #4499 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C10H14R(316)<=>CCL(26)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4500; RMG #4500 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C10H14R(316)<=>CCCR(27)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4501; RMG #4501 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C10H14R(316)<=>CCCC(C)CR(32)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4502; RMG #4502 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C10H14R(316)<=>CC(L)CC(C)L(35)+C10H13R(240) 1.225850e+27 -4.376 4.481 - -! Reaction index: Chemkin #4503; RMG #4503 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C10H14R(316)<=>C8H17L(49)+C10H13R(240) 1.225850e+27 -4.376 4.144 - -! Reaction index: Chemkin #4504; RMG #4504 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H14R(316)<=>C6H11R(56)+C10H13R(240) 1.225850e+27 -4.376 7.179 - -! Reaction index: Chemkin #4505; RMG #4505 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C10H14R(316)<=>C6H11R(56)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4506; RMG #4506 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H14R(316)<=>C5H9L(57)+C10H13R(240) 1.225850e+27 -4.376 7.179 - -! Reaction index: Chemkin #4507; RMG #4507 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C10H14R(316)<=>C5H9L(57)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4508; RMG #4508 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C10H14R(316)<=>C3H5R(58)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4509; RMG #4509 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C10H14R(316)<=>C3H5L(59)+C10H13R(240) 2.451710e+27 -4.376 6.099 - -! Reaction index: Chemkin #4510; RMG #4510 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C10H14R(316)<=>C4H7R(60)+C10H13R(240) 2.451710e+27 -4.376 6.099 - -! Reaction index: Chemkin #4511; RMG #4511 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C10H14R(316)<=>C4H7R(60)+C10H13R(240) 1.225850e+27 -4.376 6.748 - -! Reaction index: Chemkin #4512; RMG #4512 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C10H14R(316)<=>C8H15L(61)+C10H13R(240) 1.225850e+27 -4.376 7.179 - -! Reaction index: Chemkin #4513; RMG #4513 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C10H14R(316)<=>C7H13R(62)+C10H13R(240) 1.225850e+27 -4.376 6.874 - -! Reaction index: Chemkin #4514; RMG #4514 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C10H14R(316)<=>C6H11L(63)+C10H13R(240) 1.225850e+27 -4.376 6.874 - -! Reaction index: Chemkin #4515; RMG #4515 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C10H14R(316)<=>C(75)+C10H13R(240) 1.225850e+27 -4.376 3.120 - -! Reaction index: Chemkin #4516; RMG #4516 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C10H14R(316)<=>C4H7R(81)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4517; RMG #4517 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C10H14R(316)<=>[H][H](83)+C10H13R(240) 1.225850e+27 -4.376 3.245 - -! Reaction index: Chemkin #4518; RMG #4518 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H14R(316)<=>C5H9L(84)+C10H13R(240) 1.225850e+27 -4.376 6.862 - -! Reaction index: Chemkin #4519; RMG #4519 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C10H14R(316)<=>C3H5L(86)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4520; RMG #4520 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C10H14R(316)<=>CC(C)CC(C)C(87)+C10H13R(240) 1.225850e+27 -4.376 3.713 - -! Reaction index: Chemkin #4521; RMG #4521 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C10H14R(316)<=>CCC(95)+C10H13R(240) 1.225850e+27 -4.376 4.127 - -! Reaction index: Chemkin #4522; RMG #4522 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C10H14R(316)<=>CCC(95)+C10H13R(240) 1.225850e+27 -4.376 3.639 - -! Reaction index: Chemkin #4523; RMG #4523 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H14R(316)<=>C6H11R(98)+C10H13R(240) 1.225850e+27 -4.376 6.862 - -! Reaction index: Chemkin #4524; RMG #4524 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C10H14R(316)<=>C6H11L(107)+C10H13R(240) 1.225850e+27 -4.376 7.179 - -! Reaction index: Chemkin #4525; RMG #4525 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C10H14R(316)<=>C6H11L(107)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4526; RMG #4526 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C10H14R(316)<=>C6H10(110)+C10H13R(240) 1.225850e+27 -4.376 8.101 - -! Reaction index: Chemkin #4527; RMG #4527 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C10H14R(316)<=>C6H10(116)+C10H13R(240) 2.451710e+27 -4.376 7.443 - -! Reaction index: Chemkin #4528; RMG #4528 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C10H14R(316)<=>C6H10(116)+C10H13R(240) 1.225850e+27 -4.376 7.443 - -! Reaction index: Chemkin #4529; RMG #4529 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C10H14R(316)<=>C6H8(118)+C10H13R(240) 2.451710e+27 -4.376 6.844 - -! Reaction index: Chemkin #4530; RMG #4530 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C10H14R(316)<=>C6H8(118)+C10H13R(240) 1.225850e+27 -4.376 8.012 - -! Reaction index: Chemkin #4531; RMG #4531 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C10H14R(316)<=>C7H13R(120)+C10H13R(240) 1.225850e+27 -4.376 7.179 - -! Reaction index: Chemkin #4532; RMG #4532 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C10H14R(316)<=>C7H13R(120)+C10H13R(240) 1.225850e+27 -4.376 6.099 - -! Reaction index: Chemkin #4533; RMG #4533 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C10H14R(316)<=>C6H8(125)+C10H13R(240) 2.451710e+27 -4.376 6.924 - -! Reaction index: Chemkin #4534; RMG #4534 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C10H14R(316)<=>C4H8(157)+C10H13R(240) 2.451710e+27 -4.376 5.813 - -! Reaction index: Chemkin #4535; RMG #4535 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C10H14R(316)<=>C5H8(173)+C10H13R(240) 2.451710e+27 -4.376 8.012 - -! Reaction index: Chemkin #4536; RMG #4536 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H14(179); C10H13(202), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C10H14R(316)<=>C10H13R(240)+C10H14(179) 1.225850e+27 -4.376 7.503 - -! Reaction index: Chemkin #4537; RMG #4537 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C10H14R(316)<=>C5H8(180)+C10H13R(240) 2.451710e+27 -4.376 7.443 - -! Reaction index: Chemkin #4538; RMG #4538 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C10H14R(316)<=>C5H6(187)+C10H13R(240) 6.129270e+27 -4.376 6.827 - -! Reaction index: Chemkin #4539; RMG #4539 -! Library reaction: restart -! Flux pairs: C11H15(234), C11H16(229); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C11H15(234)<=>C10H13R(240)+C11H16(229) 1.225850e+27 -4.376 7.443 - -! Reaction index: Chemkin #4540; RMG #4540 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C10H14R(316)<=>C6H9R(285)+C10H13R(240) 1.225850e+27 -4.376 8.012 - -! Reaction index: Chemkin #4541; RMG #4541 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C10H14R(316)<=>C6H8(290)+C10H13R(240) 1.225850e+27 -4.376 8.832 - -! Reaction index: Chemkin #4542; RMG #4542 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C10H14R(316); C10H13R(240), C10H14R(316); -! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C10H13R(240)<=>C10H14R(316) 1.691000e+10 1.168 2.996 - -! Reaction index: Chemkin #4543; RMG #4543 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(317); C6H8R(288), C12H15R(317); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H8R(288)<=>C12H15R(317) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #4544; RMG #4544 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(60), C10H15R2(318); C6H8R(287), C10H15R2(318); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C4H7R(60)+C6H8R(287)<=>C10H15R2(318) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #4545; RMG #4545 -! Library reaction: restart -! Flux pairs: C6H8R(287), C12H16R2(319); C6H8R(287), C12H16R2(319); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C6H8R(287)+C6H8R(287)<=>C12H16R2(319) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4546; RMG #4546 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(320); C6H8R(288), C12H15R(320); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H8R(288)<=>C12H15R(320) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #4547; RMG #4547 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(321); C6H8R(288), C12H15R(321); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -C6H7(239)+C6H8R(288)<=>C12H15R(321) 5.000000e+13 -0.000 0.000 - -! Reaction index: Chemkin #4548; RMG #4548 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(322); C6H8R(287), C12H15R(322); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C6H7(239)+C6H8R(287)<=>C12H15R(322) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4549; RMG #4549 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H15(323); C6H8(125), C12H15(323); -! From training reaction 50 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-CdCdH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H8(125)<=>C12H15(323) 2.880000e+01 2.740 3.300 - -! Reaction index: Chemkin #4550; RMG #4550 -! Library reaction: restart -! Flux pairs: H(82), C12H16(269); C12H15(323), C12H16(269); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO -H(82)+C12H15(323)<=>C12H16(269) 3.680110e+13 -0.486 0.000 - -! Reaction index: Chemkin #4551; RMG #4551 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C12H15(323)<=>C3H5R(12)+C12H16(269) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4552; RMG #4552 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C12H15(323)<=>C6H11R(17)+C12H16(269) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #4553; RMG #4553 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C12H15(323)<=>C3H6(18)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4554; RMG #4554 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C12H15(323)<=>C3H6(18)+C12H16(269) 2.451710e+27 -4.376 7.580 - -! Reaction index: Chemkin #4555; RMG #4555 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C12H15(323)<=>C2H3L(19)+C12H16(269) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4556; RMG #4556 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C12H15(323)<=>C8H15L(21)+C12H16(269) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #4557; RMG #4557 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C12H15(323)<=>C5H9L(24)+C12H16(269) 1.225850e+27 -4.376 7.493 - -! Reaction index: Chemkin #4558; RMG #4558 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C12H15(323)<=>C6H11R(56)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4559; RMG #4559 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C12H15(323)<=>C5H9L(57)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4560; RMG #4560 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C12H15(323)<=>C3H5R(58)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4561; RMG #4561 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C12H15(323)<=>C3H5L(59)+C12H16(269) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #4562; RMG #4562 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C12H15(323)<=>C4H7R(60)+C12H16(269) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #4563; RMG #4563 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C12H15(323)<=>C8H15L(61)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4564; RMG #4564 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C12H15(323)<=>C7H13R(62)+C12H16(269) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4565; RMG #4565 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C12H15(323)<=>C6H11L(63)+C12H16(269) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4566; RMG #4566 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(323)<=>C6H8(118)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4567; RMG #4567 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(323)<=>C6H8(125)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4568; RMG #4568 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C12H15(323)<=>C6H8(125)+C12H16(269) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4569; RMG #4569 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C12H15(323)<=>C5H6(187)+C12H16(269) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4570; RMG #4570 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C12H15(323)<=>C6H6(252)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4571; RMG #4571 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C12H15(323)<=>C6H6(252)+C12H16(269) 1.225850e+27 -4.376 11.468 - -! Reaction index: Chemkin #4572; RMG #4572 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C12H15(323)<=>C5H7L(262)+C12H16(269) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #4573; RMG #4573 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(323)<=>C5H7L(262)+C12H16(269) 1.225850e+27 -4.376 10.329 - -! Reaction index: Chemkin #4574; RMG #4574 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C12H15(323)<=>C8H12(194)+C12H16(269) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4575; RMG #4575 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C12H15(323)<=>C6H7(239)+C12H16(269) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4576; RMG #4576 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C12H15(323)<=>C6H7(239)+C12H16(269) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #4577; RMG #4577 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C12H15(323)<=>C5H7(174)+C12H16(269) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4578; RMG #4578 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C12H15(323)<=>C10H13R(240)+C12H16(269) 1.225850e+27 -4.376 7.503 - -! Reaction index: Chemkin #4579; RMG #4579 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C11H15(256), C11H14(271); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(256)+C12H15(323)<=>C11H14(271)+C12H16(269) 1.225850e+27 -4.376 10.132 - -! Reaction index: Chemkin #4580; RMG #4580 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C12H15(323)<=>C9H12(272)+C12H16(269) 1.225850e+27 -4.376 7.689 - -! Reaction index: Chemkin #4581; RMG #4581 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C12H15(323)<=>C6H9R(285)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4582; RMG #4582 -! Library reaction: restart -! Flux pairs: C12H15(323), C12H16(269); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C12H15(323)<=>C6H8(290)+C12H16(269) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #4583; RMG #4583 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H5R(220), C10H12R(324); C6H7(239), C10H12R(324); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H5R(220)+C6H7(239)<=>C10H12R(324) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #4584; RMG #4584 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H11L(325), C6H10L(169); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(65)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4585; RMG #4585 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H11L(325), C6H10L(169); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(69)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4586; RMG #4586 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(66)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4587; RMG #4587 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(68)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4588; RMG #4588 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H11L(325), C6H10L(169); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(72)<=>C6H10L(169)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4589; RMG #4589 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(73)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4590; RMG #4590 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(71)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4591; RMG #4591 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(67)<=>C6H10L(169)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4592; RMG #4592 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C9H17LR(70)<=>C6H10L(169)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4593; RMG #4593 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C10H20R(64)<=>C6H10L(169)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4594; RMG #4594 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C10H20L(76)<=>C6H10L(169)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4595; RMG #4595 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C6H11L(325)<=>C3H5R(12)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4596; RMG #4596 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H11L(325)<=>CC(C)L(13)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4597; RMG #4597 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H11L(325)<=>CCCC(C)L(16)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4598; RMG #4598 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11R(17); C6H10R(171), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C6H11L(325)<=>C6H10L(169)+C6H11R(17) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4599; RMG #4599 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C6H11L(325)<=>C3H6(18)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4600; RMG #4600 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H11L(325)<=>CC(C)CR(20)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4601; RMG #4601 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C6H11L(325)<=>CR(22)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4602; RMG #4602 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C7H14R(9)<=>C6H10L(169)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4603; RMG #4603 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(89), C5H9L(24); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C6H11L(325)<=>C5H9L(24)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4604; RMG #4604 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C6H12L(11)<=>C6H10L(169)+CC(C)CC(C)L(25) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4605; RMG #4605 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C6H11L(325)<=>CCL(26)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4606; RMG #4606 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C6H11L(325)<=>CCCR(27)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4607; RMG #4607 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C[CH]CC(C)CR(5)<=>C6H10L(169)+CCCC(C)CR(32) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4608; RMG #4608 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+C6H11L(325)<=>CC(L)CC(C)L(35)+C6H10L(169) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4609; RMG #4609 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C8H16L(15)<=>C6H10L(169)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4610; RMG #4610 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11R(56); C6H10R(90), C6H10L(169); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C6H11L(325)<=>C6H10L(169)+C6H11R(56) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4611; RMG #4611 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11R(56); C6H10R(171), C6H10L(169); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C6H11L(325)<=>C6H10L(169)+C6H11R(56) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4612; RMG #4612 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(77), C5H9L(57); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C6H11L(325)<=>C5H9L(57)+C6H10L(169) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4613; RMG #4613 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(89), C5H9L(57); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C6H11L(325)<=>C5H9L(57)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4614; RMG #4614 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C6H11L(325)<=>C3H5R(58)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4615; RMG #4615 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C6H11L(325)<=>C3H5L(59)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4616; RMG #4616 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C6H11L(325)<=>C4H7R(60)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4617; RMG #4617 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C6H11L(325)<=>C4H7R(60)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4618; RMG #4618 -! Template reaction: H_Abstraction -! Flux pairs: C8H14L(112), C8H15L(61); C6H11L(325), C6H10L(169); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C8H14L(112)<=>C6H10L(169)+C8H15L(61) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4619; RMG #4619 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H11L(325), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C7H12R(108)<=>C6H10L(169)+C7H13R(62) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4620; RMG #4620 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11L(63); C6H10L(103), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C6H11L(325)<=>C6H10L(169)+C6H11L(63) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4621; RMG #4621 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C6H11L(325)<=>C(75)+C6H10L(169) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #4622; RMG #4622 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C6H11L(325)<=>C4H7R(81)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4623; RMG #4623 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C6H11L(325)<=>[H][H](83)+C6H10L(169) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #4624; RMG #4624 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H8L(77), C5H9L(84); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C6H11L(325)<=>C5H9L(84)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4625; RMG #4625 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C6H11L(325)<=>C3H5L(86)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4626; RMG #4626 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C7H15(85)<=>C6H10L(169)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4627; RMG #4627 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C6H11L(325)<=>CCC(95)+C6H10L(169) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4628; RMG #4628 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C6H11L(325)<=>CCC(95)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4629; RMG #4629 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11R(98); C6H10R(90), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C6H11L(325)<=>C6H10L(169)+C6H11R(98) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4630; RMG #4630 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11L(107); C6H10L(169), C6H10L(169); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(169)+C6H11L(325)<=>C6H10L(169)+C6H11L(107) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4631; RMG #4631 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H11L(107); C6H10L(103), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C6H11L(325)<=>C6H10L(169)+C6H11L(107) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4632; RMG #4632 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H9(113), C6H10(110); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+C6H11L(325)<=>C6H10(110)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4633; RMG #4633 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H9(160), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+C6H11L(325)<=>C6H10(116)+C6H10L(169) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #4634; RMG #4634 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H9(114), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+C6H11L(325)<=>C6H10(116)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4635; RMG #4635 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H7(123), C6H8(118); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C6H11L(325)<=>C6H8(118)+C6H10L(169) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #4636; RMG #4636 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(169), C6H11L(325); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C6H10L(169)<=>C6H7(239)+C6H11L(325) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #4637; RMG #4637 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(120); C6H11L(325), C6H10L(169); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C7H12R(199)<=>C6H10L(169)+C7H13R(120) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4638; RMG #4638 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C7H12R(108)<=>C6H10L(169)+C7H13R(120) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4639; RMG #4639 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H7(123), C6H8(125); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C6H11L(325)<=>C6H8(125)+C6H10L(169) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #4640; RMG #4640 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C6H11L(325)<=>C4H8(157)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4641; RMG #4641 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C6H11L(325)<=>C5H8(173)+C6H10L(169) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4642; RMG #4642 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H10L(169)<=>C5H6(187)+C6H11L(325) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4643; RMG #4643 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H11L(325), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C10H13(202)<=>C6H10L(169)+C10H14(179) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4644; RMG #4644 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C6H11L(325)<=>C5H8(180)+C6H10L(169) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #4645; RMG #4645 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C6H11L(325)<=>C5H6(187)+C6H10L(169) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #4646; RMG #4646 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H11L(325), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C11H15(234)<=>C6H10L(169)+C11H16(229) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4647; RMG #4647 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10L(169)<=>C6H6(252)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4648; RMG #4648 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H8R(287), C6H9R(285); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C6H11L(325)<=>C6H9R(285)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4649; RMG #4649 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H7(239), C6H8(290); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+C6H11L(325)<=>C6H8(290)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4650; RMG #4650 -! Library reaction: restart -! Flux pairs: CH3(74), C6H11L(325); C5H8L(77), C6H11L(325); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C5H8L(77)<=>C6H11L(325) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4651; RMG #4651 -! Library reaction: restart -! Flux pairs: H(82), C6H11L(325); C6H10L(169), C6H11L(325); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -H(82)+C6H10L(169)<=>C6H11L(325) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #4652; RMG #4652 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10L(169)<=>C3H5R(12)+C6H11L(325) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4653; RMG #4653 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11L(325); C6H10L(169), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11R(17)+C6H11L(325) 1.225850e+27 -4.376 7.210 - -! Reaction index: Chemkin #4654; RMG #4654 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H10L(169)<=>C3H6(18)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4655; RMG #4655 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H10L(169)<=>C3H6(18)+C6H11L(325) 2.451710e+27 -4.376 7.295 - -! Reaction index: Chemkin #4656; RMG #4656 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10L(169)<=>C2H3L(19)+C6H11L(325) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4657; RMG #4657 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C8H16L(15)<=>C6H11L(325)+C8H15L(21) 1.225850e+27 -4.376 7.210 - -! Reaction index: Chemkin #4658; RMG #4658 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(24)+C6H11L(325) 1.225850e+27 -4.376 7.210 - -! Reaction index: Chemkin #4659; RMG #4659 -! Library reaction: restart -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C[CH]CC(C)CR(5)<=>C6H11L(325)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4660; RMG #4660 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H10L(169)<=>C5H9L(57)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4661; RMG #4661 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H10L(169)<=>C3H5R(58)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4662; RMG #4662 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H10L(169)<=>C3H5L(59)+C6H11L(325) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4663; RMG #4663 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H10L(169)<=>C4H7R(60)+C6H11L(325) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4664; RMG #4664 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C8H16L(15)<=>C6H11L(325)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4665; RMG #4665 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(62); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(169)+C7H14R(9)<=>C6H11L(325)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4666; RMG #4666 -! Library reaction: restart -! Flux pairs: C6H12L(11), C6H11L(325); C6H10L(169), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(169)+C6H12L(11)<=>C6H11L(63)+C6H11L(325) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4667; RMG #4667 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(169)<=>C6H8(118)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4668; RMG #4668 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C6H10L(169)<=>C6H8(125)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4669; RMG #4669 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C6H10L(169)<=>C6H8(125)+C6H11L(325) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4670; RMG #4670 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C8H13(191)<=>C6H11L(325)+C8H12(194) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4671; RMG #4671 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H10L(169)<=>C6H6(252)+C6H11L(325) 1.225850e+27 -4.376 11.099 - -! Reaction index: Chemkin #4672; RMG #4672 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10L(169)<=>C5H7L(262)+C6H11L(325) 5.258140e+13 -0.550 0.687 - -! Reaction index: Chemkin #4673; RMG #4673 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10L(169)<=>C5H7L(262)+C6H11L(325) 1.225850e+27 -4.376 9.983 - -! Reaction index: Chemkin #4674; RMG #4674 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C6H10L(169)<=>C6H9R(285)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4675; RMG #4675 -! Library reaction: restart -! Flux pairs: C6H10L(169), C6H11L(325); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10L(169)<=>C6H8(290)+C6H11L(325) 1.225850e+27 -4.376 10.941 - -! Reaction index: Chemkin #4676; RMG #4676 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C10H15(183)<=>C6H11L(325)+C10H14(184) 1.225850e+27 -4.376 9.790 - -! Reaction index: Chemkin #4677; RMG #4677 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C10H13(202)<=>C6H11L(325)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4678; RMG #4678 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C10H14R(316)<=>C6H11L(325)+C10H13R(240) 1.225850e+27 -4.376 7.220 - -! Reaction index: Chemkin #4679; RMG #4679 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C12H15(283)<=>C6H11L(325)+C12H14(244) 1.225850e+27 -4.376 11.018 - -! Reaction index: Chemkin #4680; RMG #4680 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H15(256)<=>C6H11L(325)+C11H14(271) 1.225850e+27 -4.376 9.790 - -! Reaction index: Chemkin #4681; RMG #4681 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H13(260)<=>C6H11L(325)+C9H12(272) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4682; RMG #4682 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H15(226)<=>C6H11L(325)+C11H14(278) 1.225850e+27 -4.376 11.018 - -! Reaction index: Chemkin #4683; RMG #4683 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(104), C11H14L(326); C6H7(239), C11H14L(326); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H7L(104)+C6H7(239)<=>C11H14L(326) 1.190000e+04 2.410 10.290 - -! Reaction index: Chemkin #4684; RMG #4684 -! Library reaction: restart -! Flux pairs: C11H14L(326), C11H14L(327); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H -C11H14L(326)<=>C11H14L(327) 9.450000e+10 0.290 11.829 - -! Reaction index: Chemkin #4685; RMG #4685 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C12H15(323)<=>C3H5(102)+C12H16(269) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #4686; RMG #4686 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H3L(19), C8H10L(328); C6H7(239), C8H10L(328); -! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C2H3L(19)+C6H7(239)<=>C8H10L(328) 3.860000e+03 2.410 11.370 - -! Reaction index: Chemkin #4687; RMG #4687 -! Library reaction: restart -! Flux pairs: C5H5(189), C11H12(329); C6H7(239), C11H12(329); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -! Multiplied by reaction path degeneracy 5.0 -C5H5(189)+C6H7(239)<=>C11H12(329) 2.500000e+14 -0.000 0.000 - -! Reaction index: Chemkin #4688; RMG #4688 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C11H13(298); C11H12(329), C11H13(298); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -H(82)+C11H12(329)<=>C11H13(298) 3.300000e+09 1.480 0.900 - -! Reaction index: Chemkin #4689; RMG #4689 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(323)<=>C9H17LR(65)+C12H16(269) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #4690; RMG #4690 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(323)<=>C9H17LR(69)+C12H16(269) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #4691; RMG #4691 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4692; RMG #4692 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4693; RMG #4693 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(323)<=>C9H17LR(72)+C12H16(269) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #4694; RMG #4694 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4695; RMG #4695 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4696; RMG #4696 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4697; RMG #4697 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C12H16(269)<=>RC10L(1)+C12H15(323) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4698; RMG #4698 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(65)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4699; RMG #4699 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(69)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4700; RMG #4700 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(66)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4701; RMG #4701 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(68)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4702; RMG #4702 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(72)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4703; RMG #4703 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(73)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4704; RMG #4704 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(71)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4705; RMG #4705 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(67)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4706; RMG #4706 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(70)+C11H13(298)<=>RC10L(1)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4707; RMG #4707 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H20R(64)+C11H13(298)<=>RC10(2)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4708; RMG #4708 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H20L(76)+C11H13(298)<=>LC10(3)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4709; RMG #4709 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C11H13(298)<=>C3H5R(12)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4710; RMG #4710 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C11H13(298)<=>CC(C)L(13)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4711; RMG #4711 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C11H13(298)<=>CCCC(C)L(16)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4712; RMG #4712 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C11H13(298)<=>C6H11R(17)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4713; RMG #4713 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C11H13(298)<=>C3H6(18)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4714; RMG #4714 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C11H13(298)<=>CC(C)CR(20)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4715; RMG #4715 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C11H13(298)<=>CR(22)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4716; RMG #4716 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C11H13(298)<=>CC(C)CC(C)CR(23)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4717; RMG #4717 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C11H13(298)<=>C5H9L(24)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4718; RMG #4718 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C11H13(298)<=>CC(C)CC(C)L(25)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4719; RMG #4719 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C12H16(269)<=>CCL(26)+C12H15(323) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4720; RMG #4720 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C11H13(298)<=>CCL(26)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4721; RMG #4721 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C12H16(269)<=>CCCR(27)+C12H15(323) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4722; RMG #4722 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C11H13(298)<=>CCCR(27)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4723; RMG #4723 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C11H13(298)<=>CCCC(C)CR(32)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4724; RMG #4724 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C11H13(298)<=>CC(L)CC(C)L(35)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4725; RMG #4725 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C11H13(298)<=>C8H17L(49)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4726; RMG #4726 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C11H13(298)<=>C6H11R(56)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4727; RMG #4727 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C11H13(298)<=>C6H11R(56)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4728; RMG #4728 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C11H13(298)<=>C5H9L(57)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4729; RMG #4729 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C11H13(298)<=>C5H9L(57)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4730; RMG #4730 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C12H16(269)<=>C3H5R(58)+C12H15(323) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4731; RMG #4731 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C11H13(298)<=>C3H5R(58)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4732; RMG #4732 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C12H16(269)<=>C3H5L(59)+C12H15(323) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #4733; RMG #4733 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C11H13(298)<=>C3H5L(59)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4734; RMG #4734 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C11H13(298)<=>C4H7R(60)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4735; RMG #4735 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C11H13(298)<=>C4H7R(60)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4736; RMG #4736 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C11H13(298)<=>C8H15L(61)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4737; RMG #4737 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C11H13(298)<=>C7H13R(62)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4738; RMG #4738 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C11H13(298)<=>C6H11L(63)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4739; RMG #4739 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C11H13(298)<=>C(75)+C11H12(329) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #4740; RMG #4740 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C11H13(298)<=>C(75)+C11H12(329) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #4741; RMG #4741 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C12H16(269)<=>C4H7R(81)+C12H15(323) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #4742; RMG #4742 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C11H13(298)<=>C4H7R(81)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4743; RMG #4743 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C11H13(298)<=>[H][H](83)+C11H12(329) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #4744; RMG #4744 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C11H13(298)<=>C5H9L(84)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4745; RMG #4745 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C11H13(298)<=>C3H5L(86)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4746; RMG #4746 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C11H13(298)<=>CC(C)CC(C)C(87)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4747; RMG #4747 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C11H13(298)<=>CCC(95)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4748; RMG #4748 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C11H13(298)<=>CCC(95)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4749; RMG #4749 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C11H13(298)<=>C6H11R(98)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4750; RMG #4750 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C11H13(298)<=>C6H11L(107)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4751; RMG #4751 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C11H13(298)<=>C6H11L(107)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4752; RMG #4752 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C11H13(298)<=>C6H10(110)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4753; RMG #4753 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C11H13(298)<=>C6H10(116)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4754; RMG #4754 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H13(298)<=>C6H10(116)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4755; RMG #4755 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C11H13(298)<=>C6H8(118)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4756; RMG #4756 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C11H13(298)<=>C6H8(118)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4757; RMG #4757 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C11H13(298)<=>C7H13R(120)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4758; RMG #4758 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C11H13(298)<=>C7H13R(120)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4759; RMG #4759 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C11H13(298)<=>C6H8(125)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4760; RMG #4760 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C11H13(298)<=>C4H8(157)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4761; RMG #4761 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C11H13(298)<=>C5H8(173)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4762; RMG #4762 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C11H13(298)<=>C5H8(180)+C11H12(329) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4763; RMG #4763 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C11H13(298)<=>C5H6(187)+C11H12(329) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #4764; RMG #4764 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C11H13(298)<=>C6H9R(285)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4765; RMG #4765 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C11H13(298)<=>C6H8(290)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4766; RMG #4766 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C11H13(298)<=>C6H11L(325)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4767; RMG #4767 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C7H13R(330), C7H12R(199); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(65)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4768; RMG #4768 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C7H13R(330), C7H12R(199); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(69)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4769; RMG #4769 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(66)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4770; RMG #4770 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(68)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4771; RMG #4771 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C7H13R(330), C7H12R(199); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(72)<=>C7H12R(199)+RC10L(1) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4772; RMG #4772 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(73)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4773; RMG #4773 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(71)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4774; RMG #4774 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(67)<=>C7H12R(199)+RC10L(1) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4775; RMG #4775 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C9H17LR(70)<=>C7H12R(199)+RC10L(1) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4776; RMG #4776 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C10H20R(64)<=>C7H12R(199)+RC10(2) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4777; RMG #4777 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C10H20L(76)<=>C7H12R(199)+LC10(3) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4778; RMG #4778 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C3H4R(78), C3H5R(12); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C7H13R(330)<=>C3H5R(12)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4779; RMG #4779 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)L(4)+C7H13R(330)<=>CC(C)L(13)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4780; RMG #4780 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C7H13R(330)<=>CCCC(C)L(16)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4781; RMG #4781 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(171), C6H11R(17); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C7H13R(330)<=>C6H11R(17)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4782; RMG #4782 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C3H5(102), C3H6(18); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5(102)+C7H13R(330)<=>C3H6(18)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4783; RMG #4783 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C7H13R(330)<=>CC(C)CR(20)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4784; RMG #4784 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]R(14)+C7H13R(330)<=>CR(22)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4785; RMG #4785 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C7H14R(9)<=>C7H12R(199)+CC(C)CC(C)CR(23) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4786; RMG #4786 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(89), C5H9L(24); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C7H13R(330)<=>C5H9L(24)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4787; RMG #4787 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H12L(11)+C7H13R(330)<=>CC(C)CC(C)L(25)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4788; RMG #4788 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]L(8)+C7H13R(330)<=>CCL(26)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4789; RMG #4789 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CR(10)+C7H13R(330)<=>CCCR(27)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4790; RMG #4790 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C7H13R(330)<=>CCCC(C)CR(32)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4791; RMG #4791 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(90), C6H11R(56); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C7H13R(330)<=>C6H11R(56)+C7H12R(199) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4792; RMG #4792 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(171), C6H11R(56); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(171)+C7H13R(330)<=>C6H11R(56)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4793; RMG #4793 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(77), C5H9L(57); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C7H13R(330)<=>C5H9L(57)+C7H12R(199) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4794; RMG #4794 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(89), C5H9L(57); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(89)+C7H13R(330)<=>C5H9L(57)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4795; RMG #4795 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C3H4R(78), C3H5R(58); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4R(78)+C7H13R(330)<=>C3H5R(58)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4796; RMG #4796 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(147)+C7H13R(330)<=>C3H5L(59)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4797; RMG #4797 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(224)+C7H13R(330)<=>C4H7R(60)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4798; RMG #4798 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C4H6R(79), C4H7R(60); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C7H13R(330)<=>C4H7R(60)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4799; RMG #4799 -! Template reaction: H_Abstraction -! Flux pairs: C8H14L(112), C8H15L(61); C7H13R(330), C7H12R(199); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C8H14L(112)<=>C7H12R(199)+C8H15L(61) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4800; RMG #4800 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H13R(62); C7H12R(108), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+C7H13R(330)<=>C7H12R(199)+C7H13R(62) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4801; RMG #4801 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(103), C6H11L(63); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C7H13R(330)<=>C6H11L(63)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4802; RMG #4802 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); CH3(74), C(75); -! From training reaction 1082 used for C/H/Cs2Cd;C_methyl -! Exact match found for rate rule [C/H/Cs2Cd;C_methyl] -! Euclidian distance = 0 -! family: H_Abstraction -CH3(74)+C7H13R(330)<=>C(75)+C7H12R(199) 5.870000e-03 4.340 2.200 - -! Reaction index: Chemkin #4803; RMG #4803 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6R(79)+C7H13R(330)<=>C4H7R(81)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4804; RMG #4804 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); H(82), [H][H](83); -! From training reaction 1081 used for C/H/Cs2Cd;H_rad -! Exact match found for rate rule [C/H/Cs2Cd;H_rad] -! Euclidian distance = 0 -! family: H_Abstraction -H(82)+C7H13R(330)<=>[H][H](83)+C7H12R(199) 2.480000e-01 4.340 0.100 - -! Reaction index: Chemkin #4805; RMG #4805 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H8L(77), C5H9L(84); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H8L(77)+C7H13R(330)<=>C5H9L(84)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4806; RMG #4806 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C3H4L(219), C3H5L(86); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C3H4L(219)+C7H13R(330)<=>C3H5L(86)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4807; RMG #4807 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C7H15(85)<=>C7H12R(199)+CC(C)CC(C)C(87) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4808; RMG #4808 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C[CH]C(94), CCC(95); -! From training reaction 1084 used for C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! family: H_Abstraction -C[CH]C(94)+C7H13R(330)<=>CCC(95)+C7H12R(199) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4809; RMG #4809 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]CC(195)+C7H13R(330)<=>CCC(95)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4810; RMG #4810 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10R(90), C6H11R(98); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10R(90)+C7H13R(330)<=>C6H11R(98)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4811; RMG #4811 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(169), C6H11L(107); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(169)+C7H13R(330)<=>C6H11L(107)+C7H12R(199) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4812; RMG #4812 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(103)+C7H13R(330)<=>C6H11L(107)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4813; RMG #4813 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H9(113), C6H10(110); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(113)+C7H13R(330)<=>C6H10(110)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4814; RMG #4814 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H9(160), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(160)+C7H13R(330)<=>C6H10(116)+C7H12R(199) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #4815; RMG #4815 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H9(114), C6H10(116); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H9(114)+C7H13R(330)<=>C6H10(116)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4816; RMG #4816 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H7(123), C6H8(118); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C7H13R(330)<=>C6H8(118)+C7H12R(199) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #4817; RMG #4817 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(330); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/CdCs2] for rate rule [2_methyl_CPD;C_rad/CdCs2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C7H12R(199)<=>C6H7(239)+C7H13R(330) 4.200000e-04 4.340 13.600 - -! Reaction index: Chemkin #4818; RMG #4818 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H13R(120); C7H12R(199), C7H12R(199); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(199)+C7H13R(330)<=>C7H12R(199)+C7H13R(120) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4819; RMG #4819 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H13R(120); C7H12R(108), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cd] -! Euclidian distance = 0 -! family: H_Abstraction -C7H12R(108)+C7H13R(330)<=>C7H12R(199)+C7H13R(120) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4820; RMG #4820 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H7(123), C6H8(125); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(123)+C7H13R(330)<=>C6H8(125)+C7H12R(199) 2.920000e-03 4.340 12.900 - -! Reaction index: Chemkin #4821; RMG #4821 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C4H7(156), C4H8(157); -! Estimated using template [C/H/Cs2Cd;C_rad/H2/Cd] for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7(156)+C7H13R(330)<=>C4H8(157)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4822; RMG #4822 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H7(174), C5H8(173); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(174)+C7H13R(330)<=>C5H8(173)+C7H12R(199) 5.560000e-03 4.340 8.900 - -! Reaction index: Chemkin #4823; RMG #4823 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H7(178), C5H8(180); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H7(178)+C7H13R(330)<=>C5H8(180)+C7H12R(199) 2.300000e-03 4.340 9.300 - -! Reaction index: Chemkin #4824; RMG #4824 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H5(189), C5H6(187); -! From training reaction 1088 used for C/H/Cs2Cd;C_rad/H/CdCd -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 5.0 -! family: H_Abstraction -C5H5(189)+C7H13R(330)<=>C5H6(187)+C7H12R(199) 7.300000e-03 4.340 12.900 - -! Reaction index: Chemkin #4825; RMG #4825 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1085 used for C/H/Cs2Cd;C_rad/Cs3 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/Cs3] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L2(203)+C7H13R(330)<=>CC(L)CC(C)L(35)+C7H12R(199) 2.860000e-04 4.340 0.200 - -! Reaction index: Chemkin #4826; RMG #4826 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C8H16L(15)<=>C7H12R(199)+C8H17L(49) 4.260000e-04 4.340 1.600 - -! Reaction index: Chemkin #4827; RMG #4827 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C7H13R(330), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C11H15(234)<=>C7H12R(199)+C11H16(229) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4828; RMG #4828 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C7H13R(330), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C10H13(202)<=>C7H12R(199)+C10H14(179) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4829; RMG #4829 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C7H12R(199)<=>C6H6(252)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4830; RMG #4830 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H8R(287), C6H9R(285); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C7H13R(330)<=>C6H9R(285)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #4831; RMG #4831 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H7(239), C6H8(290); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H7(239)+C7H13R(330)<=>C6H8(290)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #4832; RMG #4832 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H10L(169), C6H11L(325); -! From training reaction 3029 used for C/H/Cs2Cd;C_rad/CdCs2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/CdCs2] -! Euclidian distance = 0 -! family: H_Abstraction -C6H10L(169)+C7H13R(330)<=>C6H11L(325)+C7H12R(199) 1.190000e-04 4.340 8.300 - -! Reaction index: Chemkin #4833; RMG #4833 -! Library reaction: restart -! Flux pairs: CH3(74), C7H13R(330); C6H10R(90), C7H13R(330); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -CH3(74)+C6H10R(90)<=>C7H13R(330) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4834; RMG #4834 -! Library reaction: restart -! Flux pairs: H(82), C7H13R(330); C7H12R(199), C7H13R(330); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -H(82)+C7H12R(199)<=>C7H13R(330) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #4835; RMG #4835 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C7H12R(199)<=>C3H5R(12)+C7H13R(330) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4836; RMG #4836 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(17)+C7H13R(330) 1.225850e+27 -4.376 7.210 - -! Reaction index: Chemkin #4837; RMG #4837 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C7H12R(199)<=>C3H6(18)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4838; RMG #4838 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C7H12R(199)<=>C3H6(18)+C7H13R(330) 2.451710e+27 -4.376 7.295 - -! Reaction index: Chemkin #4839; RMG #4839 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C7H12R(199)<=>C2H3L(19)+C7H13R(330) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4840; RMG #4840 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(21); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C8H16L(15)<=>C7H13R(330)+C8H15L(21) 1.225850e+27 -4.376 7.210 - -! Reaction index: Chemkin #4841; RMG #4841 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(24)+C7H13R(330) 1.225850e+27 -4.376 7.210 - -! Reaction index: Chemkin #4842; RMG #4842 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C7H12R(199)<=>C6H11R(56)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4843; RMG #4843 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C7H12R(199)<=>C5H9L(57)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4844; RMG #4844 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C7H12R(199)<=>C3H5R(58)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4845; RMG #4845 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C7H12R(199)<=>C3H5L(59)+C7H13R(330) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4846; RMG #4846 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C7H12R(199)<=>C4H7R(60)+C7H13R(330) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4847; RMG #4847 -! Library reaction: restart -! Flux pairs: C8H16L(15), C8H15L(61); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C8H16L(15)<=>C7H13R(330)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4848; RMG #4848 -! Library reaction: restart -! Flux pairs: C7H14R(9), C7H13R(330); C7H12R(199), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H12R(199)+C7H14R(9)<=>C7H13R(62)+C7H13R(330) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4849; RMG #4849 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C7H12R(199)<=>C6H11L(63)+C7H13R(330) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4850; RMG #4850 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(199)<=>C6H8(118)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4851; RMG #4851 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C7H12R(199)<=>C6H8(125)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4852; RMG #4852 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C7H12R(199)<=>C6H8(125)+C7H13R(330) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4853; RMG #4853 -! Library reaction: restart -! Flux pairs: C10H15(183), C10H14(184); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C10H15(183)<=>C7H13R(330)+C10H14(184) 1.225850e+27 -4.376 9.790 - -! Reaction index: Chemkin #4854; RMG #4854 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C7H12R(199)<=>C5H6(187)+C7H13R(330) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #4855; RMG #4855 -! Library reaction: restart -! Flux pairs: C8H13(191), C8H12(194); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C8H13(191)<=>C7H13R(330)+C8H12(194) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4856; RMG #4856 -! Library reaction: restart -! Flux pairs: C10H13(202), C10H12(201); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C10H13(202)<=>C7H13R(330)+C10H12(201) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4857; RMG #4857 -! Library reaction: restart -! Flux pairs: C10H14R(316), C10H13R(240); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C10H14R(316)<=>C7H13R(330)+C10H13R(240) 1.225850e+27 -4.376 7.220 - -! Reaction index: Chemkin #4858; RMG #4858 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C7H12R(199)<=>C6H6(252)+C7H13R(330) 1.225850e+27 -4.376 11.099 - -! Reaction index: Chemkin #4859; RMG #4859 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C7H12R(199)<=>C5H7L(262)+C7H13R(330) 5.258140e+13 -0.550 0.687 - -! Reaction index: Chemkin #4860; RMG #4860 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C7H12R(199)<=>C5H7L(262)+C7H13R(330) 1.225850e+27 -4.376 9.983 - -! Reaction index: Chemkin #4861; RMG #4861 -! Library reaction: restart -! Flux pairs: C11H15(256), C11H14(271); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H15(256)<=>C7H13R(330)+C11H14(271) 1.225850e+27 -4.376 9.790 - -! Reaction index: Chemkin #4862; RMG #4862 -! Library reaction: restart -! Flux pairs: C9H13(260), C9H12(272); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H13(260)<=>C7H13R(330)+C9H12(272) 1.225850e+27 -4.376 7.402 - -! Reaction index: Chemkin #4863; RMG #4863 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C7H12R(199)<=>C6H9R(285)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4864; RMG #4864 -! Library reaction: restart -! Flux pairs: C7H12R(199), C7H13R(330); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C7H12R(199)<=>C6H8(290)+C7H13R(330) 1.225850e+27 -4.376 10.941 - -! Reaction index: Chemkin #4865; RMG #4865 -! Library reaction: restart -! Flux pairs: C12H15(283), C12H14(244); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C12H15(283)<=>C7H13R(330)+C12H14(244) 1.225850e+27 -4.376 11.018 - -! Reaction index: Chemkin #4866; RMG #4866 -! Library reaction: restart -! Flux pairs: C11H15(226), C11H14(278); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H15(226)<=>C7H13R(330)+C11H14(278) 1.225850e+27 -4.376 11.018 - -! Reaction index: Chemkin #4867; RMG #4867 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H12(329); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C11H13(298)<=>C7H13R(330)+C11H12(329) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #4868; RMG #4868 -! Library reaction: restart -! Flux pairs: C5H7(174), C11H14(331); C6H7(239), C11H14(331); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C5H7(174)+C6H7(239)<=>C11H14(331) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4869; RMG #4869 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(269), C12H15(323); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C12H16(269)<=>CR(22)+C12H15(323) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4870; RMG #4870 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C12H15(323)<=>CH3(74)+C12H16(269) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #4871; RMG #4871 -! Library reaction: restart -! Flux pairs: C11H13(298), C11H14(276); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C11H13(298)<=>C10H13R(240)+C11H14(276) 1.225850e+27 -4.376 7.503 - -! Reaction index: Chemkin #4872; RMG #4872 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C9H14L(332); C6H9(160), C9H14L(332); -! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C6H9(160)<=>C9H14L(332) 9.720000e+03 2.410 10.980 - -! Reaction index: Chemkin #4873; RMG #4873 -! Library reaction: restart -! Flux pairs: C10H12R(324), C10H12R(333); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C10H12R(324)<=>C10H12R(333) 1.260000e+11 0.160 11.046 - -! Reaction index: Chemkin #4874; RMG #4874 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(334); C6H8R(287), C12H15R(334); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C6H7(239)+C6H8R(287)<=>C12H15R(334) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4875; RMG #4875 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H16(335); C6H9(113), C12H16(335); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(113)<=>C12H16(335) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #4876; RMG #4876 -! Library reaction: restart -! Flux pairs: C6H7(239), C12H15R(336); C6H8R(287), C12H15R(336); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -C6H7(239)+C6H8R(287)<=>C12H15R(336) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4877; RMG #4877 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H15(337); C6H8(125), C12H15(337); -! Estimated using template [Cds-CsH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H8(125)<=>C12H15(337) 1.360000e+04 2.410 9.870 - -! Reaction index: Chemkin #4878; RMG #4878 -! Library reaction: restart -! Flux pairs: C3H5(102), C9H13R(338); C6H8R(287), C9H13R(338); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H8R(287)<=>C9H13R(338) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #4879; RMG #4879 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(276), C11H13(298); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C11H14(276)<=>CCCR(27)+C11H13(298) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #4880; RMG #4924 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), RC10(2); C[CH]CC(C)CR(5), RC10(2); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>RC10(2) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4881; RMG #5938 -! Library reaction: restart_edge -! Flux pairs: C[CH]CR(10), CC(C)CC(C)CR(23); [CH2]C(C)C(399), CC(C)CC(C)CR(23); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]CR(10)+[CH2]C(C)C(399)<=>CC(C)CC(C)CR(23) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4882; RMG #6092 -! Library reaction: restart_edge -! Flux pairs: C[CH]L(8), CC(C)CC(C)L(25); [CH2]C(C)C(399), CC(C)CC(C)L(25); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+[CH2]C(C)C(399)<=>CC(C)CC(C)L(25) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #4883; RMG #16811 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: CH3(74), [CH2]C(C)C(399); C3H6(18), [CH2]C(C)C(399); -! Matched reaction 2929 CH3 + propene_2 <=> C4H9-4 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-CsH_Cds-HH;CsJ-HHH] -! family: R_Addition_MultipleBond -CH3(74)+C3H6(18)<=>[CH2]C(C)C(399) 1.580000e+02 2.966 6.337 - -! Reaction index: Chemkin #4884; RMG #20884 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C7H15(85); [CH2]C(C)C(399), C7H15(85); -! Matched reaction 2938 C4H9-9 + propene_2 <=> C7H15-16 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-CsH_Cds-HH;CsJ-CsHH] -! family: R_Addition_MultipleBond -C3H6(18)+[CH2]C(C)C(399)<=>C7H15(85) 1.502000e+00 3.105 5.819 - -! Reaction index: Chemkin #4885; RMG #21888 -! Library reaction: restart_edge -! Flux pairs: C[CH]C(94), CC(C)CC(C)C(87); [CH2]C(C)C(399), CC(C)CC(C)C(87); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -C[CH]C(94)+[CH2]C(C)C(399)<=>CC(C)CC(C)C(87) 2.124550e+14 -0.429 0.000 - -! Reaction index: Chemkin #4886; RMG #68907 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(65), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C9H17LR(65)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4887; RMG #68909 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(69), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C9H17LR(69)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4888; RMG #68911 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(66), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C9H17LR(66)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4889; RMG #68913 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(68), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C9H17LR(68)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4890; RMG #68915 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(72), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C9H17LR(72)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4891; RMG #68917 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(73), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C9H17LR(73)<=>C4H8(157)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4892; RMG #68919 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(71), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C9H17LR(71)<=>C4H8(157)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4893; RMG #68921 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(67), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C9H17LR(67)<=>C4H8(157)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4894; RMG #68923 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(70), RC10L(1); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C9H17LR(70)<=>C4H8(157)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4895; RMG #68941 -! Library reaction: restart_edge -! Flux pairs: C10H20R(64), RC10(2); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C10H20R(64)<=>C4H8(157)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4896; RMG #68959 -! Library reaction: restart_edge -! Flux pairs: C10H20L(76), LC10(3); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C10H20L(76)<=>C4H8(157)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4897; RMG #68973 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+[CH2]C(C)C(399)<=>C3H5R(12)+C4H8(157) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4898; RMG #68984 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+[CH2]C(C)C(399)<=>CC(C)L(13)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4899; RMG #68993 -! Library reaction: restart_edge -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C[CH]CC(C)L(7)<=>C4H8(157)+CCCC(C)L(16) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4900; RMG #69001 -! Library reaction: restart_edge -! Flux pairs: C6H10R(171), C6H11R(17); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H10R(171)<=>C4H8(157)+C6H11R(17) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4901; RMG #69014 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H5(102), C3H6(18); -! Matched reaction 40 C3H5 + C4H9-2 <=> C3H6 + C4H8-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R] -! family: Disproportionation -C3H5(102)+[CH2]C(C)C(399)<=>C3H6(18)+C4H8(157) 1.566000e+12 0.000 -0.130 - -! Reaction index: Chemkin #4902; RMG #69033 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), CC(C)CR(20); [CH2]C(C)CR(6), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+[CH2]C(C)C(399)<=>C4H8(157)+CC(C)CR(20) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4903; RMG #69054 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+[CH2]C(C)C(399)<=>CR(22)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4904; RMG #69066 -! Library reaction: restart_edge -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C7H14R(9)<=>C4H8(157)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4905; RMG #69070 -! Library reaction: restart_edge -! Flux pairs: C5H8L(89), C5H9L(24); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C5H8L(89)<=>C4H8(157)+C5H9L(24) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4906; RMG #69087 -! Library reaction: restart_edge -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H12L(11)<=>C4H8(157)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4907; RMG #69093 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+[CH2]C(C)C(399)<=>CCL(26)+C4H8(157) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4908; RMG #69095 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+[CH2]C(C)C(399)<=>CCCR(27)+C4H8(157) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4909; RMG #69165 -! Library reaction: restart_edge -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>C4H8(157)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4910; RMG #69195 -! Library reaction: restart_edge -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C5H9L2(203)<=>C4H8(157)+CC(L)CC(C)L(35) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4911; RMG #69361 -! Library reaction: restart_edge -! Flux pairs: C8H16L(15), C8H17L(49); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C8H16L(15)<=>C4H8(157)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4912; RMG #69393 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11R(56); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H10R(90)<=>C4H8(157)+C6H11R(56) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4913; RMG #69399 -! Library reaction: restart_edge -! Flux pairs: C6H10R(171), C6H11R(56); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H10R(171)<=>C4H8(157)+C6H11R(56) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4914; RMG #69408 -! Library reaction: restart_edge -! Flux pairs: C5H8L(77), C5H9L(57); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C5H8L(77)<=>C4H8(157)+C5H9L(57) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4915; RMG #69412 -! Library reaction: restart_edge -! Flux pairs: C5H8L(89), C5H9L(57); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C5H8L(89)<=>C4H8(157)+C5H9L(57) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4916; RMG #69421 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+[CH2]C(C)C(399)<=>C3H5R(58)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4917; RMG #69430 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+[CH2]C(C)C(399)<=>C3H5L(59)+C4H8(157) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #4918; RMG #69437 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+[CH2]C(C)C(399)<=>C4H7R(60)+C4H8(157) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #4919; RMG #69439 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C4H6R(79)+[CH2]C(C)C(399)<=>C4H7R(60)+C4H8(157) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4920; RMG #69446 -! Library reaction: restart_edge -! Flux pairs: C8H14L(112), C8H15L(61); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C8H14L(112)<=>C4H8(157)+C8H15L(61) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4921; RMG #69467 -! Library reaction: restart_edge -! Flux pairs: C7H12R(108), C7H13R(62); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C7H12R(108)<=>C4H8(157)+C7H13R(62) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4922; RMG #69482 -! Library reaction: restart_edge -! Flux pairs: C6H10L(103), C6H11L(63); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H10L(103)<=>C4H8(157)+C6H11L(63) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4923; RMG #69493 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), C4H8(157); CH3(74), C(75); -! Matched reaction 37 CH3_r1 + C4H9-2 <=> CH4 + C4H8-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C] -! family: Disproportionation -CH3(74)+[CH2]C(C)C(399)<=>C(75)+C4H8(157) 6.020000e+12 -0.320 0.000 - -! Reaction index: Chemkin #4924; RMG #69513 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6R(79)+[CH2]C(C)C(399)<=>C4H7R(81)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4925; RMG #69521 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), C4H8(157); H(82), [H][H](83); -! Matched reaction 36 H + C4H9-2 <=> H2 + C4H8-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C] -! family: Disproportionation -H(82)+[CH2]C(C)C(399)<=>[H][H](83)+C4H8(157) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #4926; RMG #69523 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), C4H8(157); H(82), [H][H](83); -! Matched reaction 36 H + C4H9-2 <=> H2 + C4H8-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H] -! family: Disproportionation -H(82)+[CH2]C(C)C(399)<=>[H][H](83)+C4H8(157) 9.040000e+11 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #4927; RMG #69524 -! Library reaction: restart_edge -! Flux pairs: C5H8L(77), C5H9L(84); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C5H8L(77)<=>C4H8(157)+C5H9L(84) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4928; RMG #69536 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+[CH2]C(C)C(399)<=>C3H5L(86)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4929; RMG #69550 -! Library reaction: restart_edge -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C7H15(85)<=>C4H8(157)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4930; RMG #69580 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C[CH]C(94), CCC(95); -! Matched reaction 41 C4H9-2 + C3H7 <=> C3H8 + C4H8-2 in Disproportionation/training -! This reaction matched rate rule [Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R] -! family: Disproportionation -C[CH]C(94)+[CH2]C(C)C(399)<=>CCC(95)+C4H8(157) 2.560000e+13 -0.350 0.000 - -! Reaction index: Chemkin #4931; RMG #69582 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]CC(195)+[CH2]C(C)C(399)<=>CCC(95)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4932; RMG #69584 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11R(98); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H10R(90)<=>C4H8(157)+C6H11R(98) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4933; RMG #69640 -! Library reaction: restart_edge -! Flux pairs: C6H10L(169), C6H11L(107); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H10L(169)<=>C4H8(157)+C6H11L(107) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4934; RMG #69644 -! Library reaction: restart_edge -! Flux pairs: C6H10L(103), C6H11L(107); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H10L(103)<=>C4H8(157)+C6H11L(107) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4935; RMG #69660 -! Library reaction: restart_edge -! Flux pairs: C6H9(113), C6H10(110); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H9(113)<=>C4H8(157)+C6H10(110) 7.830000e+11 0.000 0.181 - -! Reaction index: Chemkin #4936; RMG #69744 -! Library reaction: restart_edge -! Flux pairs: C6H9(160), C6H10(116); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H9(160)<=>C4H8(157)+C6H10(116) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #4937; RMG #69746 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H10(116); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H9(114)<=>C4H8(157)+C6H10(116) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4938; RMG #69770 -! Library reaction: restart_edge -! Flux pairs: C6H7(123), C6H8(118); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H7(123)<=>C4H8(157)+C6H8(118) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #4939; RMG #69772 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(118); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H7(239)<=>C4H8(157)+C6H8(118) 7.830000e+11 0.000 0.165 - -! Reaction index: Chemkin #4940; RMG #69787 -! Library reaction: restart_edge -! Flux pairs: C7H12R(199), C7H13R(120); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C7H12R(199)<=>C4H8(157)+C7H13R(120) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4941; RMG #69793 -! Library reaction: restart_edge -! Flux pairs: C7H12R(108), C7H13R(120); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C7H12R(108)<=>C4H8(157)+C7H13R(120) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #4942; RMG #69801 -! Library reaction: restart_edge -! Flux pairs: C6H7(123), C6H8(125); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H7(123)<=>C4H8(157)+C6H8(125) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #4943; RMG #69837 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+[CH2]C(C)C(399)<=>C4H8(157)+C4H8(157) 1.566000e+12 0.000 0.000 - -! Reaction index: Chemkin #4944; RMG #71706 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), [CH2]C(C)C(399); C4H8(157), [CH2]C(C)C(399); -! Matched reaction 2928 H + C4H8-2 <=> C4H9-7 in R_Addition_MultipleBond/training -! This reaction matched rate rule [Cds-CsCs_Cds-HH;HJ] -! family: R_Addition_MultipleBond -H(82)+C4H8(157)<=>[CH2]C(C)C(399) 2.383000e+08 1.538 2.871 - -! Reaction index: Chemkin #4945; RMG #81204 -! Library reaction: restart_edge -! Flux pairs: C5H7(174), C5H8(173); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C5H7(174)<=>C4H8(157)+C5H8(173) 1.566000e+12 0.000 0.165 - -! Reaction index: Chemkin #4946; RMG #87531 -! Library reaction: restart_edge -! Flux pairs: C10H13(202), C10H14(179); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C10H13(202)<=>C4H8(157)+C10H14(179) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4947; RMG #88860 -! Library reaction: restart_edge -! Flux pairs: C5H7(178), C5H8(180); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C5H7(178)<=>C4H8(157)+C5H8(180) 1.051630e+14 -0.550 0.000 - -! Reaction index: Chemkin #4948; RMG #93538 -! Library reaction: restart_edge -! Flux pairs: C5H5(189), C5H6(187); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -[CH2]C(C)C(399)+C5H5(189)<=>C4H8(157)+C5H6(187) 2.629070e+14 -0.550 0.000 - -! Reaction index: Chemkin #4949; RMG #137697 -! Library reaction: restart_edge -! Flux pairs: C11H15(234), C11H16(229); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C11H15(234)<=>C4H8(157)+C11H16(229) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4950; RMG #206259 -! Library reaction: restart_edge -! Flux pairs: C12H15(323), C12H16(269); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C12H15(323)<=>C4H8(157)+C12H16(269) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4951; RMG #233859 -! Library reaction: restart_edge -! Flux pairs: C11H13(298), C11H14(276); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C11H13(298)<=>C4H8(157)+C11H14(276) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4952; RMG #268049 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(285); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H8R(287)<=>C4H8(157)+C6H9R(285) 7.830000e+11 0.000 0.165 - -! Reaction index: Chemkin #4953; RMG #278568 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(290); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H7(239)<=>C4H8(157)+C6H8(290) 5.258140e+13 -0.550 0.340 - -! Reaction index: Chemkin #4954; RMG #347854 -! Library reaction: restart_edge -! Flux pairs: C6H10L(169), C6H11L(325); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H10L(169)<=>C4H8(157)+C6H11L(325) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4955; RMG #369908 -! Library reaction: restart_edge -! Flux pairs: C7H12R(199), C7H13R(330); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C7H12R(199)<=>C4H8(157)+C7H13R(330) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #4956; RMG #407513 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(65); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(65) 2.434158e-04 4.470 6.593 - -! Reaction index: Chemkin #4957; RMG #407514 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(69); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(69) 2.434158e-04 4.470 6.593 - -! Reaction index: Chemkin #4958; RMG #407515 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(66); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(66) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4959; RMG #407516 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(68); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(68) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4960; RMG #407517 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(72); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(72) 2.434158e-04 4.470 6.593 - -! Reaction index: Chemkin #4961; RMG #407518 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(73); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(73) 1.630301e-04 4.810 8.490 - -! Reaction index: Chemkin #4962; RMG #407519 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(71); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(71) 1.630301e-04 4.810 8.490 - -! Reaction index: Chemkin #4963; RMG #407520 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(67); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(67) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4964; RMG #407521 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10L(1), C9H17LR(70); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10L(1)<=>CC(C)C(29484)+C9H17LR(70) 1.630301e-04 4.810 8.490 - -! Reaction index: Chemkin #4965; RMG #407530 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); RC10(2), C10H20R(64); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+RC10(2)<=>CC(C)C(29484)+C10H20R(64) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4966; RMG #407539 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); LC10(3), C10H20L(76); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+LC10(3)<=>CC(C)C(29484)+C10H20L(76) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4967; RMG #407540 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+[CH2]C(C)C(399)<=>C3H4R(78)+CC(C)C(29484) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4968; RMG #407546 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)L(13), [CH2]C(C)L(4); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)L(13)+[CH2]C(C)C(399)<=>[CH2]C(C)L(4)+CC(C)C(29484) 3.260601e-04 4.810 8.490 - -! Reaction index: Chemkin #4969; RMG #407548 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11R(17)<=>CC(C)C(29484)+C6H10R(171) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4970; RMG #407555 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H6(18), C3H5(102); -! Estimated using an average for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+[CH2]C(C)C(399)<=>C3H5(102)+CC(C)C(29484) 2.961351e-04 4.545 4.565 - -! Reaction index: Chemkin #4971; RMG #407573 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CR(22), [CH2]R(14); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\H2\Cs;C_rad/H2/Cs] -! Euclidian distance = 2.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CR(22)+[CH2]C(C)C(399)<=>[CH2]R(14)+CC(C)C(29484) 1.630301e-04 4.810 8.490 - -! Reaction index: Chemkin #4972; RMG #407575 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H9L(24)<=>CC(C)C(29484)+C5H8L(89) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4973; RMG #407582 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCL(26), C[CH]L(8); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCL(26)+[CH2]C(C)C(399)<=>C[CH]L(8)+CC(C)C(29484) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4974; RMG #407583 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCCR(27), C[CH]CR(10); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCCR(27)+[CH2]C(C)C(399)<=>C[CH]CR(10)+CC(C)C(29484) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #4975; RMG #407586 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(56), C6H10R(90); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11R(56)<=>CC(C)C(29484)+C6H10R(90) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4976; RMG #407589 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(56), C6H10R(171); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11R(56)<=>CC(C)C(29484)+C6H10R(171) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #4977; RMG #407594 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(57), C5H8L(77); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H9L(57)<=>CC(C)C(29484)+C5H8L(77) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4978; RMG #407596 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(57), C5H8L(89); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H9L(57)<=>CC(C)C(29484)+C5H8L(89) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #4979; RMG #407601 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5R(58), C3H4R(78); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5R(58)+[CH2]C(C)C(399)<=>C3H4R(78)+CC(C)C(29484) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #4980; RMG #407606 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5L(59), C3H4L(147); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(59)+[CH2]C(C)C(399)<=>C3H4L(147)+CC(C)C(29484) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #4981; RMG #407610 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H7R(60), C4H6R(224); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7R(60)+[CH2]C(C)C(399)<=>C4H6R(224)+CC(C)C(29484) 2.517000e-05 4.890 4.320 - -! Reaction index: Chemkin #4982; RMG #407611 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+[CH2]C(C)C(399)<=>C4H6R(79)+CC(C)C(29484) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4983; RMG #407615 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C8H15L(61), C8H14L(112); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C8H15L(61)<=>CC(C)C(29484)+C8H14L(112) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4984; RMG #407626 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C7H13R(62)<=>CC(C)C(29484)+C7H12R(108) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4985; RMG #407634 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11L(63)<=>CC(C)C(29484)+C6H10L(103) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4986; RMG #407640 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)C(29484), [CH2]C(C)C(399); CH3(74), C(75); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 9.0 -! family: H_Abstraction -CH3(74)+CC(C)C(29484)<=>C(75)+[CH2]C(C)C(399) 4.257000e+00 3.600 11.050 - -! Reaction index: Chemkin #4987; RMG #407641 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)C(29484), [CH2]C(C)C(399); H(82), [H][H](83); -! Estimated using an average for rate rule [C/H3/Cs\TwoNonDe;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 9.0 -! family: H_Abstraction -H(82)+CC(C)C(29484)<=>[H][H](83)+[CH2]C(C)C(399) 1.701000e+07 2.210 7.500 - -! Reaction index: Chemkin #4988; RMG #407652 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CR(20), [CH2]C(C)CR(6); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -CC(C)CR(20)+[CH2]C(C)C(399)<=>[CH2]C(C)CR(6)+CC(C)C(29484) 3.260601e-04 4.810 8.490 - -! Reaction index: Chemkin #4989; RMG #407658 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CC(C)CR(23), C7H14R(9); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)C(399)+CC(C)CC(C)CR(23)<=>CC(C)C(29484)+C7H14R(9) 3.260601e-04 4.810 8.490 - -! Reaction index: Chemkin #4990; RMG #407662 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CC(C)L(25), C6H12L(11); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)C(399)+CC(C)CC(C)L(25)<=>CC(C)C(29484)+C6H12L(11) 3.260601e-04 4.810 8.490 - -! Reaction index: Chemkin #4991; RMG #407664 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H7R(81), C4H6R(79); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7R(81)+[CH2]C(C)C(399)<=>C4H6R(79)+CC(C)C(29484) 2.688723e-04 4.649 4.527 - -! Reaction index: Chemkin #4992; RMG #407668 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H9L(84)<=>CC(C)C(29484)+C5H8L(77) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4993; RMG #407674 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCC(95), C[CH]C(94); -! Estimated using an average for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+[CH2]C(C)C(399)<=>C[CH]C(94)+CC(C)C(29484) 1.840000e-03 4.340 7.000 - -! Reaction index: Chemkin #4994; RMG #407675 -! Template reaction: H_Abstraction -! Flux pairs: CC(C)C(29484), [CH2]C(C)C(399); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 9.0 -! family: H_Abstraction -[CH2]CC(195)+CC(C)C(29484)<=>CCC(95)+[CH2]C(C)C(399) 4.890902e-04 4.810 8.490 - -! Reaction index: Chemkin #4995; RMG #407676 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11R(98)<=>CC(C)C(29484)+C6H10R(90) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #4996; RMG #407691 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(107), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11L(107)<=>CC(C)C(29484)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #4997; RMG #407693 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(107), C6H10L(103); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11L(107)<=>CC(C)C(29484)+C6H10L(103) 2.688723e-04 4.649 4.527 - -! Reaction index: Chemkin #4998; RMG #407698 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H10(110)<=>CC(C)C(29484)+C6H9(113) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #4999; RMG #407707 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H10(116)<=>CC(C)C(29484)+C6H9(160) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5000; RMG #407708 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H10(116)<=>CC(C)C(29484)+C6H9(114) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5001; RMG #407713 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(120), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C7H13R(120)<=>CC(C)C(29484)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #5002; RMG #407716 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(120), C7H12R(108); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C7H13R(120)<=>CC(C)C(29484)+C7H12R(108) 2.688723e-04 4.649 4.527 - -! Reaction index: Chemkin #5003; RMG #407720 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H8(173)<=>CC(C)C(29484)+C5H7(174) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #5004; RMG #407731 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCCC(C)L(16), C[CH]CC(C)L(7); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+CCCC(C)L(16)<=>CC(C)C(29484)+C[CH]CC(C)L(7) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #5005; RMG #407736 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CCCC(C)CR(32), C[CH]CC(C)CR(5); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+CCCC(C)CR(32)<=>CC(C)C(29484)+C[CH]CC(C)CR(5) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #5006; RMG #407741 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(L)CC(C)L(35), C5H9L2(203); -! Estimated using an average for rate rule [C/H/Cs3;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+CC(L)CC(C)L(35)<=>CC(C)C(29484)+C5H9L2(203) 4.868317e-04 4.470 6.593 - -! Reaction index: Chemkin #5007; RMG #407747 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C8H17L(49), C8H16L(15); -! Estimated using an average for rate rule [C/H2/NonDeC;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C8H17L(49)<=>CC(C)C(29484)+C8H16L(15) 2.163867e-03 4.290 7.536 - -! Reaction index: Chemkin #5008; RMG #407751 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C3H5L(86), C3H4L(219); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H5L(86)+[CH2]C(C)C(399)<=>C3H4L(219)+CC(C)C(29484) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #5009; RMG #407758 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); CC(C)CC(C)C(87), C7H15(85); -! Estimated using template [C/H3/Cs;C_rad/H2/Cs] for rate rule [C/H3/Cs\TwoNonDe;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 12.0 -! family: H_Abstraction -[CH2]C(C)C(399)+CC(C)CC(C)C(87)<=>CC(C)C(29484)+C7H15(85) 6.521202e-04 4.810 8.490 - -! Reaction index: Chemkin #5010; RMG #407759 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H8(118), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H8(118)<=>CC(C)C(29484)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #5011; RMG #407760 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [2_methyl_CPD;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H8(118)<=>CC(C)C(29484)+C6H7(239) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #5012; RMG #407768 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H8(125), C6H7(123); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H8(125)<=>CC(C)C(29484)+C6H7(123) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #5013; RMG #407777 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H8(157), C4H7(156); -! Estimated using an average for rate rule [C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H8(157)+[CH2]C(C)C(399)<=>C4H7(156)+CC(C)C(29484) 5.034000e-05 4.890 4.320 - -! Reaction index: Chemkin #5014; RMG #407782 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H8(180)<=>CC(C)C(29484)+C5H7(178) 3.612000e-03 4.340 3.500 - -! Reaction index: Chemkin #5015; RMG #407801 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H11L(325), C6H10L(169); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H11L(325)<=>CC(C)C(29484)+C6H10L(169) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #5016; RMG #407807 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C7H13R(330), C7H12R(199); -! Estimated using an average for rate rule [C/H/Cs2Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! family: H_Abstraction -[CH2]C(C)C(399)+C7H13R(330)<=>CC(C)C(29484)+C7H12R(199) 5.520000e-04 4.340 2.200 - -! Reaction index: Chemkin #5017; RMG #407814 -! Template reaction: R_Recombination -! Flux pairs: C[CH]C(94), CC(C)C(29484); CH3(74), CC(C)C(29484); -! Matched reaction 67 CH3 + C3H7-2 <=> C4H10-2 in R_Recombination/training -! This reaction matched rate rule [Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O] -! family: R_Recombination -CH3(74)+C[CH]C(94)<=>CC(C)C(29484) 6.640000e+14 -0.570 0.000 - -! Reaction index: Chemkin #5018; RMG #407816 -! Template reaction: R_Recombination -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); H(82), CC(C)C(29484); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N- -! Sp-4R!H=3C_Sp-4R!H-3C -H(82)+[CH2]C(C)C(399)<=>CC(C)C(29484) 9.174990e+13 0.115 0.000 - -! Reaction index: Chemkin #5019; RMG #407828 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+[CH2]C(C)C(399)<=>C3H5R(12)+CC(C)C(29484) 1.225854e+27 -4.376 3.708 - -! Reaction index: Chemkin #5020; RMG #407834 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>CC(C)C(29484)+C6H11R(17) 1.225854e+27 -4.376 3.584 - -! Reaction index: Chemkin #5021; RMG #407836 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+[CH2]C(C)C(399)<=>C3H6(18)+CC(C)C(29484) 2.900000e+12 0.000 0.000 -DUPLICATE - -! Reaction index: Chemkin #5022; RMG #407837 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C -[CH2]CC(195)+[CH2]C(C)C(399)<=>C3H6(18)+CC(C)C(29484) 1.970850e+12 -0.039 0.000 -DUPLICATE - -! Reaction index: Chemkin #5023; RMG #407839 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+[CH2]C(C)C(399)<=>C3H6(18)+CC(C)C(29484) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5024; RMG #407841 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+[CH2]C(C)C(399)<=>C2H3L(19)+CC(C)C(29484) 1.225854e+27 -4.376 3.708 - -! Reaction index: Chemkin #5025; RMG #407847 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(21); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C8H16L(15)<=>CC(C)C(29484)+C8H15L(21) 1.225854e+27 -4.376 3.584 - -! Reaction index: Chemkin #5026; RMG #407851 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C[CH]CC(C)L(7)<=>CC(C)C(29484)+C5H9L(24) 1.225854e+27 -4.376 3.584 - -! Reaction index: Chemkin #5027; RMG #408103 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C[CH]CC(C)CR(5)<=>CC(C)C(29484)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5028; RMG #408107 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C[CH]CC(C)L(7)<=>CC(C)C(29484)+C5H9L(57) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5029; RMG #408113 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+[CH2]C(C)C(399)<=>C3H5R(58)+CC(C)C(29484) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5030; RMG #408115 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+[CH2]C(C)C(399)<=>C3H5L(59)+CC(C)C(29484) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #5031; RMG #408119 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+[CH2]C(C)C(399)<=>C4H7R(60)+CC(C)C(29484) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #5032; RMG #408123 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(61); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C8H16L(15)<=>CC(C)C(29484)+C8H15L(61) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5033; RMG #408127 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), C7H13R(62); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C7H14R(9)<=>CC(C)C(29484)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #5034; RMG #408131 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), C6H11L(63); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H12L(11)<=>CC(C)C(29484)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #5035; RMG #408485 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H8(118); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H9(114)<=>CC(C)C(29484)+C6H8(118) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5036; RMG #408503 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H8(125); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H9(114)<=>CC(C)C(29484)+C6H8(125) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5037; RMG #408505 -! Template reaction: Disproportionation -! Flux pairs: C6H9(160), C6H8(125); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -[CH2]C(C)C(399)+C6H9(160)<=>CC(C)C(29484)+C6H8(125) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #5038; RMG #408595 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+[CH2]C(C)C(399)<=>C4H8(157)+CC(C)C(29484) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #5039; RMG #408684 -! Template reaction: Disproportionation -! Flux pairs: C10H15(183), C10H14(184); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C10H15(183)<=>CC(C)C(29484)+C10H14(184) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5040; RMG #408694 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C5H6(187), C5H5(189); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C5H6(187)<=>CC(C)C(29484)+C5H5(189) 2.440000e-03 4.340 1.000 - -! Reaction index: Chemkin #5041; RMG #408700 -! Template reaction: Disproportionation -! Flux pairs: C5H7(178), C5H6(187); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -[CH2]C(C)C(399)+C5H7(178)<=>CC(C)C(29484)+C5H6(187) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #5042; RMG #408725 -! Template reaction: Disproportionation -! Flux pairs: C8H13(191), C8H12(194); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C8H13(191)<=>CC(C)C(29484)+C8H12(194) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5043; RMG #408919 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H12(201); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C10H13(202)<=>CC(C)C(29484)+C10H12(201) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5044; RMG #409197 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H8(290)<=>CC(C)C(29484)+C6H7(239) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5045; RMG #409207 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(240); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C10H14R(316)<=>CC(C)C(29484)+C10H13R(240) 1.225854e+27 -4.376 3.590 - -! Reaction index: Chemkin #5046; RMG #409229 -! Template reaction: Disproportionation -! Flux pairs: C12H15(283), C12H14(244); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C12H15(283)<=>CC(C)C(29484)+C12H14(244) 1.225854e+27 -4.376 6.154 - -! Reaction index: Chemkin #5047; RMG #409275 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H6(252); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H7(239)<=>CC(C)C(29484)+C6H6(252) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5048; RMG #409279 -! Template reaction: Disproportionation -! Flux pairs: C6H7(123), C6H6(252); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C6H7(123)<=>CC(C)C(29484)+C6H6(252) 1.225854e+27 -4.376 6.210 - -! Reaction index: Chemkin #5049; RMG #409345 -! Template reaction: Disproportionation -! Flux pairs: C5H8L(89), C5H7L(262); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C5H8L(89)<=>CC(C)C(29484)+C5H7L(262) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #5050; RMG #409351 -! Template reaction: Disproportionation -! Flux pairs: C5H8L(77), C5H7L(262); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C5H8L(77)<=>CC(C)C(29484)+C5H7L(262) 1.225854e+27 -4.376 5.437 - -! Reaction index: Chemkin #5051; RMG #409662 -! Template reaction: Disproportionation -! Flux pairs: C11H15(256), C11H14(271); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C11H15(256)<=>CC(C)C(29484)+C11H14(271) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5052; RMG #409675 -! Template reaction: Disproportionation -! Flux pairs: C9H13(260), C9H12(272); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C9H13(260)<=>CC(C)C(29484)+C9H12(272) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5053; RMG #409743 -! Template reaction: Disproportionation -! Flux pairs: C11H15(226), C11H14(278); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C11H15(226)<=>CC(C)C(29484)+C11H14(278) 1.225854e+27 -4.376 6.154 - -! Reaction index: Chemkin #5054; RMG #409784 -! Template reaction: H_Abstraction -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H9R(285)<=>CC(C)C(29484)+C6H8R(287) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #5055; RMG #409799 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(285); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H10R(90)<=>CC(C)C(29484)+C6H9R(285) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5056; RMG #409828 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H8(290); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C6H9(114)<=>CC(C)C(29484)+C6H8(290) 1.225854e+27 -4.376 6.100 - -! Reaction index: Chemkin #5057; RMG #410198 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H12(329); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C11H13(298)<=>CC(C)C(29484)+C11H12(329) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5058; RMG #80552 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H8(173), C11H17(10750); C6H9(113), C11H17(10750); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H8(173)+C6H9(113)<=>C11H17(10750) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #5059; RMG #144069 -! Library reaction: restart_edge -! Flux pairs: C3H4R(78), C9H11R(18276); C6H7(239), C9H11R(18276); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -C3H4R(78)+C6H7(239)<=>C9H11R(18276) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5060; RMG #275477 -! Library reaction: restart_edge -! Flux pairs: C3H5(102), C9H13R(24328); C6H8R(287), C9H13R(24328); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H8R(287)<=>C9H13R(24328) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #5061; RMG #144329 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18381); C6H9(113), C12H16(18381); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(113)<=>C12H16(18381) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5062; RMG #144192 -! Library reaction: restart_edge -! Flux pairs: C3H5(102), C9H12(18323); C6H7(239), C9H12(18323); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H7(239)<=>C9H12(18323) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #5063; RMG #322094 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C9H13(311); C9H12(18323), C9H13(311); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C9H12(18323)<=>C9H13(311) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #5064; RMG #424319 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(65)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.616 - -! Reaction index: Chemkin #5065; RMG #424325 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(69)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.616 - -! Reaction index: Chemkin #5066; RMG #424331 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(66)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5067; RMG #424337 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(68)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5068; RMG #424343 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(72)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.616 - -! Reaction index: Chemkin #5069; RMG #424349 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(73)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5070; RMG #424355 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(71)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5071; RMG #424361 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(67)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5072; RMG #424367 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C9H17LR(70)<=>C9H12(18323)+RC10L(1) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5073; RMG #424421 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C10H20R(64)<=>C9H12(18323)+RC10(2) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5074; RMG #424475 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C10H20L(76)<=>C9H12(18323)+LC10(3) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5075; RMG #424481 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H13(311)<=>C3H5R(12)+C9H12(18323) 1.225854e+27 -4.376 6.922 - -! Reaction index: Chemkin #5076; RMG #424521 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C9H13(311)<=>CC(C)L(13)+C9H12(18323) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5077; RMG #424533 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H13(311)<=>C6H11R(17)+C9H12(18323) 1.225854e+27 -4.376 7.050 - -! Reaction index: Chemkin #5078; RMG #424579 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C9H13(311)<=>C3H6(18)+C9H12(18323) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5079; RMG #424653 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C9H13(311)<=>CC(C)CR(20)+C9H12(18323) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5080; RMG #424723 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C9H13(311)<=>CR(22)+C9H12(18323) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5081; RMG #424759 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C9H13(311)<=>CC(C)CC(C)CR(23)+C9H12(18323) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5082; RMG #424771 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H13(311)<=>C5H9L(24)+C9H12(18323) 1.225854e+27 -4.376 7.050 - -! Reaction index: Chemkin #5083; RMG #424829 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C9H13(311)<=>CC(C)CC(C)L(25)+C9H12(18323) 1.225854e+27 -4.376 3.834 - -! Reaction index: Chemkin #5084; RMG #424847 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H13(311)<=>CCL(26)+C9H12(18323) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5085; RMG #424853 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H13(311)<=>CCCR(27)+C9H12(18323) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5086; RMG #424871 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H13(311)<=>C6H11R(56)+C9H12(18323) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #5087; RMG #424889 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H13(311)<=>C6H11R(56)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5088; RMG #424923 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H13(311)<=>C5H9L(57)+C9H12(18323) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #5089; RMG #424935 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H13(311)<=>C5H9L(57)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5090; RMG #424969 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H13(311)<=>C3H5R(58)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5091; RMG #425003 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C9H13(311)<=>C3H5L(59)+C9H12(18323) 2.451708e+27 -4.376 6.263 - -! Reaction index: Chemkin #5092; RMG #425031 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C9H13(311)<=>C4H7R(60)+C9H12(18323) 2.451708e+27 -4.376 6.263 - -! Reaction index: Chemkin #5093; RMG #425037 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H13(311)<=>C4H7R(60)+C9H12(18323) 1.225854e+27 -4.376 6.922 - -! Reaction index: Chemkin #5094; RMG #425065 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C9H13(311)<=>C8H15L(61)+C9H12(18323) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #5095; RMG #425135 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H13(311)<=>C7H13R(62)+C9H12(18323) 1.225854e+27 -4.376 7.050 - -! Reaction index: Chemkin #5096; RMG #425187 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H13(311)<=>C6H11L(63)+C9H12(18323) 1.225854e+27 -4.376 7.050 - -! Reaction index: Chemkin #5097; RMG #425227 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C9H13(311)<=>C(75)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5098; RMG #425233 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H13(311)<=>C4H7R(81)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5099; RMG #425261 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C9H13(311)<=>[H][H](83)+C9H12(18323) 2.169000e+13 0.000 2.559 - -! Reaction index: Chemkin #5100; RMG #425267 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H13(311)<=>C5H9L(84)+C9H12(18323) 1.225854e+27 -4.376 7.038 - -! Reaction index: Chemkin #5101; RMG #425307 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C9H13(311)<=>C3H5L(86)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5102; RMG #425397 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C9H13(311)<=>CCC(95)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5103; RMG #425403 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C9H13(311)<=>CCC(95)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5104; RMG #425409 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H13(311)<=>C6H11R(98)+C9H12(18323) 1.225854e+27 -4.376 7.038 - -! Reaction index: Chemkin #5105; RMG #425511 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H13(311)<=>C6H11L(107)+C9H12(18323) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #5106; RMG #425523 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H13(311)<=>C6H11L(107)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5107; RMG #425557 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C9H13(311)<=>C6H10(110)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5108; RMG #425619 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C9H13(311)<=>C6H10(116)+C9H12(18323) 2.451708e+27 -4.376 7.628 - -! Reaction index: Chemkin #5109; RMG #425625 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H13(311)<=>C6H10(116)+C9H12(18323) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #5110; RMG #425659 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H13(311)<=>C6H8(118)+C9H12(18323) 2.451708e+27 -4.376 7.020 - -! Reaction index: Chemkin #5111; RMG #425665 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H13(311)<=>C6H8(118)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5112; RMG #425721 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H13(311)<=>C7H13R(120)+C9H12(18323) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #5113; RMG #425739 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H13(311)<=>C7H13R(120)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #5114; RMG #425767 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H13(311)<=>C6H8(125)+C9H12(18323) 2.451708e+27 -4.376 7.102 - -! Reaction index: Chemkin #5115; RMG #425829 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C9H13(311)<=>C4H8(157)+C9H12(18323) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5116; RMG #425857 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C9H13(311)<=>C5H8(173)+C9H12(18323) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5117; RMG #425925 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C9H13(311)<=>C5H8(180)+C9H12(18323) 2.451708e+27 -4.376 7.628 - -! Reaction index: Chemkin #5118; RMG #426021 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H13(311)<=>C6H9R(285)+C9H12(18323) 1.225854e+27 -4.376 8.206 - -! Reaction index: Chemkin #5119; RMG #426273 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H13(311)<=>CCCC(C)L(16)+C9H12(18323) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5120; RMG #426643 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H13(311)<=>CCCC(C)CR(32)+C9H12(18323) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5121; RMG #426757 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C9H13(311)<=>CC(L)CC(C)L(35)+C9H12(18323) 1.225854e+27 -4.376 4.616 - -! Reaction index: Chemkin #5122; RMG #427255 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H13(311)<=>C8H17L(49)+C9H12(18323) 1.225854e+27 -4.376 4.274 - -! Reaction index: Chemkin #5123; RMG #427479 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C9H13(311)<=>CC(C)CC(C)C(87)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5124; RMG #428427 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C10H13(202)<=>C9H12(18323)+C10H14(179) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5125; RMG #428563 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C9H13(311)<=>C5H6(187)+C9H12(18323) 6.129270e+27 -4.376 7.003 - -! Reaction index: Chemkin #5126; RMG #429435 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C11H15(234)<=>C9H12(18323)+C11H16(229) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #5127; RMG #430377 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H13(311)<=>C6H8(290)+C9H12(18323) 1.225854e+27 -4.376 9.038 - -! Reaction index: Chemkin #5128; RMG #430485 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H13(311)<=>C6H11L(325)+C9H12(18323) 1.225854e+27 -4.376 7.402 - -! Reaction index: Chemkin #5129; RMG #430585 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H13(311)<=>C7H13R(330)+C9H12(18323) 1.225854e+27 -4.376 7.402 - -! Reaction index: Chemkin #5130; RMG #430751 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C9H13(311)<=>CC(C)C(29484)+C9H12(18323) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5131; RMG #144326 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18379); C6H9(113), C12H16(18379); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(113)<=>C12H16(18379) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5132; RMG #437115 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C12H15(323)<=>C9H12(18323)+C12H16(269) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5133; RMG #437999 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C11H13(298)<=>C9H12(18323)+C11H14(276) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5134; RMG #144324 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18378); C6H9(113), C12H16(18378); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(113)<=>C12H16(18378) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5135; RMG #144321 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18376); C6H9(113), C12H16(18376); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(113)<=>C12H16(18376) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5136; RMG #144319 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18375); C6H9(113), C12H16(18375); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(113)<=>C12H16(18375) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5137; RMG #143561 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C2H3L(19), C8H10L(18195); C6H7(239), C8H10L(18195); -! Estimated using template [Cds-HH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C2H3L(19)+C6H7(239)<=>C8H10L(18195) 6.550000e+02 2.620 10.900 - -! Reaction index: Chemkin #5138; RMG #451247 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C8H10L(18195), C8H10L(30674); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C8H10L(18195)<=>C8H10L(30674) 1.260000e+11 0.160 6.026 - -! Reaction index: Chemkin #5139; RMG #144327 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18380); C6H9(113), C12H16(18380); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -C6H7(239)+C6H9(113)<=>C12H16(18380) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5140; RMG #196582 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C12H17(266); C12H16(18380), C12H17(266); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C12H16(18380)<=>C12H17(266) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #5141; RMG #451304 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5142; RMG #451312 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5143; RMG #451320 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5144; RMG #451328 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5145; RMG #451336 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5146; RMG #451344 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5147; RMG #451352 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5148; RMG #451360 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5149; RMG #451368 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C12H17(266)<=>RC10L(1)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5150; RMG #451440 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C12H17(266)<=>RC10(2)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5151; RMG #451512 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C12H17(266)<=>LC10(3)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5152; RMG #451520 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C12H17(266)<=>C3H5R(12)+C12H16(18380) 1.225854e+27 -4.376 9.405 - -! Reaction index: Chemkin #5153; RMG #451572 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C12H17(266)<=>CC(C)L(13)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5154; RMG #451596 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C12H17(266)<=>CCCC(C)L(16)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5155; RMG #451628 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C12H17(266)<=>C6H11R(17)+C12H16(18380) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5156; RMG #451688 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C12H17(266)<=>C3H6(18)+C12H16(18380) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5157; RMG #451784 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C12H17(266)<=>CC(C)CR(20)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5158; RMG #451876 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C12H17(266)<=>CR(22)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5159; RMG #451924 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C12H17(266)<=>CC(C)CC(C)CR(23)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5160; RMG #451940 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C12H17(266)<=>C5H9L(24)+C12H16(18380) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5161; RMG #452016 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C12H17(266)<=>CC(C)CC(C)L(25)+C12H16(18380) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5162; RMG #452040 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C12H17(266)<=>CCL(26)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5163; RMG #452048 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C12H17(266)<=>CCCR(27)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5164; RMG #452088 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C12H17(266)<=>CCCC(C)CR(32)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5165; RMG #452120 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H17(266)<=>C6H11R(56)+C12H16(18380) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5166; RMG #452144 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C12H17(266)<=>C6H11R(56)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5167; RMG #452188 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H17(266)<=>C5H9L(57)+C12H16(18380) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5168; RMG #452204 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C12H17(266)<=>C5H9L(57)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5169; RMG #452248 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C12H17(266)<=>C3H5R(58)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5170; RMG #452292 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C12H17(266)<=>C3H5L(59)+C12H16(18380) 2.451708e+27 -4.376 8.605 - -! Reaction index: Chemkin #5171; RMG #452328 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C12H17(266)<=>C4H7R(60)+C12H16(18380) 2.451708e+27 -4.376 8.605 - -! Reaction index: Chemkin #5172; RMG #452336 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C12H17(266)<=>C4H7R(60)+C12H16(18380) 1.225854e+27 -4.376 9.405 - -! Reaction index: Chemkin #5173; RMG #452372 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C12H17(266)<=>C8H15L(61)+C12H16(18380) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5174; RMG #452464 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C12H17(266)<=>C7H13R(62)+C12H16(18380) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5175; RMG #452532 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C12H17(266)<=>C6H11L(63)+C12H16(18380) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5176; RMG #452584 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C12H17(266)<=>C(75)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5177; RMG #452592 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C12H17(266)<=>C4H7R(81)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5178; RMG #452628 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C12H17(266)<=>[H][H](83)+C12H16(18380) 2.169000e+13 0.000 4.043 - -! Reaction index: Chemkin #5179; RMG #452636 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H17(266)<=>C5H9L(84)+C12H16(18380) 1.225854e+27 -4.376 9.545 - -! Reaction index: Chemkin #5180; RMG #452688 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C12H17(266)<=>C3H5L(86)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5181; RMG #452804 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C12H17(266)<=>CCC(95)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5182; RMG #452812 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C12H17(266)<=>CCC(95)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5183; RMG #452820 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H17(266)<=>C6H11R(98)+C12H16(18380) 1.225854e+27 -4.376 9.545 - -! Reaction index: Chemkin #5184; RMG #452952 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C12H17(266)<=>C6H11L(107)+C12H16(18380) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5185; RMG #452968 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C12H17(266)<=>C6H11L(107)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5186; RMG #453012 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C12H17(266)<=>C6H10(110)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5187; RMG #453092 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C12H17(266)<=>C6H10(116)+C12H16(18380) 2.451708e+27 -4.376 10.255 - -! Reaction index: Chemkin #5188; RMG #453100 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C12H17(266)<=>C6H10(116)+C12H16(18380) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #5189; RMG #453144 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C12H17(266)<=>C6H8(118)+C12H16(18380) 2.451708e+27 -4.376 9.523 - -! Reaction index: Chemkin #5190; RMG #453152 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H17(266)<=>C6H8(118)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5191; RMG #453224 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C12H17(266)<=>C7H13R(120)+C12H16(18380) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5192; RMG #453248 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C12H17(266)<=>C7H13R(120)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5193; RMG #453284 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C12H17(266)<=>C6H8(125)+C12H16(18380) 2.451708e+27 -4.376 9.622 - -! Reaction index: Chemkin #5194; RMG #453364 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C12H17(266)<=>C4H8(157)+C12H16(18380) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5195; RMG #453444 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C12H17(266)<=>C5H8(173)+C12H16(18380) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5196; RMG #453532 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C12H17(266)<=>C5H8(180)+C12H16(18380) 2.451708e+27 -4.376 10.255 - -! Reaction index: Chemkin #5197; RMG #453558 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C12H17(266)<=>C5H6(187)+C12H16(18380) 6.129270e+27 -4.376 9.503 - -! Reaction index: Chemkin #5198; RMG #453772 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C12H17(266)<=>C6H9R(285)+C12H16(18380) 1.225854e+27 -4.376 10.947 - -! Reaction index: Chemkin #5199; RMG #453852 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H17(266)<=>C6H8(290)+C12H16(18380) 1.225854e+27 -4.376 11.938 - -! Reaction index: Chemkin #5200; RMG #453924 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C12H17(266)<=>C6H11L(325)+C12H16(18380) 1.225854e+27 -4.376 9.983 - -! Reaction index: Chemkin #5201; RMG #453976 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C12H17(266)<=>C7H13R(330)+C12H16(18380) 1.225854e+27 -4.376 9.983 - -! Reaction index: Chemkin #5202; RMG #454044 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C12H17(266)<=>CC(C)C(29484)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5203; RMG #454177 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C12H17(266)<=>CC(L)CC(C)L(35)+C12H16(18380) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5204; RMG #454449 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C12H17(266)<=>C8H17L(49)+C12H16(18380) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5205; RMG #454550 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C12H17(266)<=>CC(C)CC(C)C(87)+C12H16(18380) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5206; RMG #144322 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18377); C6H9(113), C12H16(18377); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C6H7(239)+C6H9(113)<=>C12H16(18377) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5207; RMG #144316 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18374); C6H9(113), C12H16(18374); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -C6H7(239)+C6H9(113)<=>C12H16(18374) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5208; RMG #143432 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(65), RC10L(1); C6H8(18175), C6H7(239); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(65)<=>C6H7(239)+RC10L(1) 3.832000e-03 4.340 -2.500 - -! Reaction index: Chemkin #5209; RMG #143433 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(69), RC10L(1); C6H8(18175), C6H7(239); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(69)<=>C6H7(239)+RC10L(1) 3.832000e-03 4.340 -2.500 - -! Reaction index: Chemkin #5210; RMG #143434 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(66)<=>C6H7(239)+RC10L(1) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5211; RMG #143435 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(68)<=>C6H7(239)+RC10L(1) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5212; RMG #143436 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(72), RC10L(1); C6H8(18175), C6H7(239); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(72)<=>C6H7(239)+RC10L(1) 3.832000e-03 4.340 -2.500 - -! Reaction index: Chemkin #5213; RMG #143437 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(73)<=>C6H7(239)+RC10L(1) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5214; RMG #143438 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(71)<=>C6H7(239)+RC10L(1) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5215; RMG #143439 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(67)<=>C6H7(239)+RC10L(1) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5216; RMG #143440 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C9H17LR(70)<=>C6H7(239)+RC10L(1) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5217; RMG #143457 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C10H20R(64)<=>C6H7(239)+RC10(2) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5218; RMG #143482 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C10H20L(76)<=>C6H7(239)+LC10(3) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5219; RMG #143493 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H7(239)<=>C2H3L(19)+C6H8(18175) 1.225850e+27 -4.376 10.232 - -! Reaction index: Chemkin #5220; RMG #143500 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C3H4R(78), C3H5R(12); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4R(78)+C6H8(18175)<=>C3H5R(12)+C6H7(239) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5221; RMG #143511 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H8(18175)<=>CC(C)L(13)+C6H7(239) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5222; RMG #143519 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H8(18175)<=>CCCC(C)L(16)+C6H7(239) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5223; RMG #143534 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10R(171)<=>C6H7(239)+C6H11R(17) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5224; RMG #143551 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C3H5(102), C3H6(18); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C3H5(102)+C6H8(18175)<=>C3H6(18)+C6H7(239) 1.544000e-02 4.340 6.700 - -! Reaction index: Chemkin #5225; RMG #143574 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H8(18175)<=>CC(C)CR(20)+C6H7(239) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5226; RMG #143607 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]R(14)+C6H8(18175)<=>CR(22)+C6H7(239) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5227; RMG #143618 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C7H14R(9)<=>C6H7(239)+CC(C)CC(C)CR(23) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5228; RMG #143631 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H8L(89), C5H9L(24); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8L(89)+C6H8(18175)<=>C5H9L(24)+C6H7(239) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5229; RMG #143650 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H12L(11)<=>C6H7(239)+CC(C)CC(C)L(25) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5230; RMG #143658 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C[CH]L(8)+C6H8(18175)<=>CCL(26)+C6H7(239) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5231; RMG #143662 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C[CH]CR(10)+C6H8(18175)<=>CCCR(27)+C6H7(239) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5232; RMG #143686 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C[CH]CC(C)CR(5)<=>C6H7(239)+CCCC(C)CR(32) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5233; RMG #143728 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H9L2(203), CC(L)CC(C)L(35); -! From training reaction 1129 used for C/H2/CdCd;C_rad/Cs3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/Cs3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H9L2(203)+C6H8(18175)<=>CC(L)CC(C)L(35)+C6H7(239) 3.832000e-03 4.340 -2.500 - -! Reaction index: Chemkin #5234; RMG #143851 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C8H16L(15)<=>C6H7(239)+C8H17L(49) 1.671040e-03 4.260 5.620 - -! Reaction index: Chemkin #5235; RMG #143886 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(56); C6H8(18175), C6H7(239); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10R(90)<=>C6H7(239)+C6H11R(56) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5236; RMG #143889 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H8(18175), C6H7(239); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10R(171)<=>C6H7(239)+C6H11R(56) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5237; RMG #143905 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H8L(77), C5H9L(57); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8L(77)+C6H8(18175)<=>C5H9L(57)+C6H7(239) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5238; RMG #143907 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H8L(89), C5H9L(57); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8L(89)+C6H8(18175)<=>C5H9L(57)+C6H7(239) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5239; RMG #143921 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C3H4R(78), C3H5R(58); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4R(78)+C6H8(18175)<=>C3H5R(58)+C6H7(239) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5240; RMG #143932 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C3H4L(147)+C6H8(18175)<=>C3H5L(59)+C6H7(239) 1.544000e-02 4.340 6.700 - -! Reaction index: Chemkin #5241; RMG #143940 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C4H6R(224)+C6H8(18175)<=>C4H7R(60)+C6H7(239) 1.544000e-02 4.340 6.700 - -! Reaction index: Chemkin #5242; RMG #143941 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C4H6R(79), C4H7R(60); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(79)+C6H8(18175)<=>C4H7R(60)+C6H7(239) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5243; RMG #143956 -! Template reaction: H_Abstraction -! Flux pairs: C8H14L(112), C8H15L(61); C6H8(18175), C6H7(239); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C8H14L(112)<=>C6H7(239)+C8H15L(61) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5244; RMG #143982 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C7H12R(108)<=>C6H7(239)+C7H13R(62) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5245; RMG #144002 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10L(103)<=>C6H7(239)+C6H11L(63) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5246; RMG #144014 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); CH3(74), C(75); -! From training reaction 1126 used for C/H2/CdCd;C_methyl -! Exact match found for rate rule [C/H2/CdCd;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -CH3(74)+C6H8(18175)<=>C(75)+C6H7(239) 4.240000e-02 4.340 1.700 - -! Reaction index: Chemkin #5247; RMG #144037 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H7(239)<=>C5H7L(262)+C6H8(18175) 1.225850e+27 -4.376 13.349 - -! Reaction index: Chemkin #5248; RMG #144084 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(79)+C6H8(18175)<=>C4H7R(81)+C6H7(239) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5249; RMG #144092 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); H(82), [H][H](83); -! From training reaction 1125 used for C/H2/CdCd;H_rad -! Exact match found for rate rule [C/H2/CdCd;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -H(82)+C6H8(18175)<=>[H][H](83)+C6H7(239) 1.788000e+00 4.340 -0.400 - -! Reaction index: Chemkin #5250; RMG #144098 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H8L(77), C5H9L(84); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8L(77)+C6H8(18175)<=>C5H9L(84)+C6H7(239) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5251; RMG #144113 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C3H4L(219), C3H5L(86); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(219)+C6H8(18175)<=>C3H5L(86)+C6H7(239) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5252; RMG #144126 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C7H15(85)<=>C6H7(239)+CC(C)CC(C)C(87) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5253; RMG #144134 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(285); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H10R(90)<=>C6H8(18175)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5254; RMG #144168 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C[CH]C(94), CCC(95); -! From training reaction 1128 used for C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/Cs\H3/Cs\H3] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C[CH]C(94)+C6H8(18175)<=>CCC(95)+C6H7(239) 4.640000e-03 4.340 -0.400 - -! Reaction index: Chemkin #5255; RMG #144169 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]CC(195)+C6H8(18175)<=>CCC(95)+C6H7(239) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5256; RMG #144176 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10R(90)<=>C6H7(239)+C6H11R(98) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5257; RMG #144251 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(169), C6H11L(107); C6H8(18175), C6H7(239); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10L(169)<=>C6H7(239)+C6H11L(107) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5258; RMG #144253 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10L(103)<=>C6H7(239)+C6H11L(107) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5259; RMG #144269 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C6H8(18175), C6H7(239); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H9(113)<=>C6H7(239)+C6H10(110) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5260; RMG #144337 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C6H8(18175)+C6H9(160)<=>C6H7(239)+C6H10(116) 7.848000e-03 4.340 6.300 - -! Reaction index: Chemkin #5261; RMG #144338 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H9(114)<=>C6H7(239)+C6H10(116) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5262; RMG #144355 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H8(118); C6H7(123), C6H7(239); -! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C6H7(123)+C6H8(18175)<=>C6H7(239)+C6H8(118) 3.128000e-03 4.340 8.900 - -! Reaction index: Chemkin #5263; RMG #144356 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H8(118); C6H7(239), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H7(239)+C6H8(18175)<=>C6H7(239)+C6H8(118) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5264; RMG #144375 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(120); C6H8(18175), C6H7(239); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C7H12R(199)<=>C6H7(239)+C7H13R(120) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5265; RMG #144378 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H8(18175), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C7H12R(108)<=>C6H7(239)+C7H13R(120) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5266; RMG #144394 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H8(125); C6H7(123), C6H7(239); -! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C6H7(123)+C6H8(18175)<=>C6H7(239)+C6H8(125) 3.128000e-03 4.340 8.900 - -! Reaction index: Chemkin #5267; RMG #144455 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCd;C_rad/H2/Cd] for rate rule [C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C4H7(156)+C6H8(18175)<=>C4H8(157)+C6H7(239) 1.544000e-02 4.340 6.700 - -! Reaction index: Chemkin #5268; RMG #144499 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H7(174), C5H8(173); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C5H7(174)+C6H8(18175)<=>C5H8(173)+C6H7(239) 1.544000e-02 4.340 6.700 - -! Reaction index: Chemkin #5269; RMG #144526 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H7(178), C5H8(180); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 8.0 -! family: H_Abstraction -C5H7(178)+C6H8(18175)<=>C5H8(180)+C6H7(239) 7.848000e-03 4.340 6.300 - -! Reaction index: Chemkin #5270; RMG #144536 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C5H5(189), C5H6(187); -! From training reaction 3030 used for C/H2/CdCd;C_rad/H/CdCd -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 20.0 -! family: H_Abstraction -C5H5(189)+C6H8(18175)<=>C5H6(187)+C6H7(239) 7.820000e-03 4.340 8.900 - -! Reaction index: Chemkin #5271; RMG #144703 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H7(239)<=>C6H6(252)+C6H8(18175) 1.547940e+12 0.025 0.140 - -! Reaction index: Chemkin #5272; RMG #147161 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H7(239)<=>C5H7L(262)+C6H8(18175) 5.258140e+13 -0.550 2.163 - -! Reaction index: Chemkin #5273; RMG #147693 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H8(125); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(18175)+C6H8(125) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5274; RMG #147694 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H8(18175); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H9(114)<=>C6H8(290)+C6H8(18175) 1.225850e+27 -4.376 14.489 - -! Reaction index: Chemkin #5275; RMG #147700 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H8(118); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(114)<=>C6H8(18175)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5276; RMG #148250 -! Library reaction: restart_edge -! Flux pairs: C6H9(160), C6H8(125); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(239)+C6H9(160)<=>C6H8(18175)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5277; RMG #148514 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H7(239)<=>C5H6(187)+C6H8(18175) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5278; RMG #148549 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C10H13(202)<=>C6H7(239)+C10H14(179) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5279; RMG #149716 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C11H15(234)<=>C6H7(239)+C11H16(229) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5280; RMG #163472 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H7(239)<=>C3H5R(58)+C6H8(18175) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5281; RMG #163473 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H7(239)<=>C3H5R(12)+C6H8(18175) 1.225850e+27 -4.376 10.232 - -! Reaction index: Chemkin #5282; RMG #181713 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H7(239)<=>C6H6(252)+C6H8(18175) 1.225850e+27 -4.376 14.676 - -! Reaction index: Chemkin #5283; RMG #205646 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(18175); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H7(239)<=>C3H6(18)+C6H8(18175) 2.451710e+27 -4.376 10.101 - -! Reaction index: Chemkin #5284; RMG #212413 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(323), C12H16(269); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C12H15(323)<=>C6H7(239)+C12H16(269) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5285; RMG #256898 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(298), C11H14(276); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C11H13(298)<=>C6H7(239)+C11H14(276) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5286; RMG #269036 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(285); C6H8(18175), C6H7(239); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H8R(287)<=>C6H7(239)+C6H9R(285) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #5287; RMG #279317 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H8(290); C6H7(239), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H7(239)+C6H8(18175)<=>C6H7(239)+C6H8(290) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5288; RMG #348922 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(169), C6H11L(325); C6H8(18175), C6H7(239); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H10L(169)<=>C6H7(239)+C6H11L(325) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5289; RMG #370564 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(199), C7H13R(330); C6H8(18175), C6H7(239); -! From training reaction 1132 used for C/H2/CdCd;C_rad/CdCs2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/CdCs2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C7H12R(199)<=>C6H7(239)+C7H13R(330) 5.000000e-04 4.340 4.600 - -! Reaction index: Chemkin #5290; RMG #409195 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated using an average for rate rule [C/H2/CdCd;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H8(18175)<=>CC(C)C(29484)+C6H7(239) 4.880000e-03 4.340 1.000 - -! Reaction index: Chemkin #5291; RMG #465026 -! Template reaction: R_Recombination -! Flux pairs: C6H7(239), C6H8(18175); H(82), C6H8(18175); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R -H(82)+C6H7(239)<=>C6H8(18175) 1.953380e+12 0.347 0.000 - -! Reaction index: Chemkin #5292; RMG #465191 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(18175)+C6H11R(17) 1.225854e+27 -4.376 9.998 - -! Reaction index: Chemkin #5293; RMG #465203 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H7(239)<=>C3H6(18)+C6H8(18175) 2.105300e+14 -0.550 0.918 - -! Reaction index: Chemkin #5294; RMG #465255 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(21); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C8H16L(15)<=>C6H8(18175)+C8H15L(21) 1.225854e+27 -4.376 9.998 - -! Reaction index: Chemkin #5295; RMG #465297 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(24)+C6H8(18175) 1.225854e+27 -4.376 9.998 - -! Reaction index: Chemkin #5296; RMG #465849 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C[CH]CC(C)CR(5)<=>C6H8(18175)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5297; RMG #465870 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H7(239)<=>C5H9L(57)+C6H8(18175) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5298; RMG #465896 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H7(239)<=>C3H5L(59)+C6H8(18175) 5.258140e+13 -0.550 0.780 - -! Reaction index: Chemkin #5299; RMG #465911 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H7(239)<=>C4H7R(60)+C6H8(18175) 5.258140e+13 -0.550 0.780 - -! Reaction index: Chemkin #5300; RMG #465941 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(61); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C8H16L(15)<=>C6H8(18175)+C8H15L(61) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5301; RMG #465965 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), C7H13R(62); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H7(239)+C7H14R(9)<=>C6H8(18175)+C7H13R(62) 5.258140e+13 -0.550 0.699 - -! Reaction index: Chemkin #5302; RMG #465986 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), C6H11L(63); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H7(239)+C6H12L(11)<=>C6H8(18175)+C6H11L(63) 5.258140e+13 -0.550 0.699 - -! Reaction index: Chemkin #5303; RMG #466671 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H7(239)<=>C4H8(157)+C6H8(18175) 5.258140e+13 -0.550 0.684 - -! Reaction index: Chemkin #5304; RMG #466871 -! Template reaction: Disproportionation -! Flux pairs: C10H15(183), C10H14(184); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C10H15(183)<=>C6H8(18175)+C10H14(184) 1.225854e+27 -4.376 13.118 - -! Reaction index: Chemkin #5305; RMG #466950 -! Template reaction: Disproportionation -! Flux pairs: C8H13(191), C8H12(194); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C8H13(191)<=>C6H8(18175)+C8H12(194) 1.225854e+27 -4.376 10.232 - -! Reaction index: Chemkin #5306; RMG #467001 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H12(201); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H13(202)<=>C6H8(18175)+C10H12(201) 1.350000e+03 2.700 0.551 - -! Reaction index: Chemkin #5307; RMG #467326 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(240); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C10H14R(316)<=>C6H8(18175)+C10H13R(240) 1.225854e+27 -4.376 10.009 - -! Reaction index: Chemkin #5308; RMG #467383 -! Template reaction: Disproportionation -! Flux pairs: C12H15(283), C12H14(244); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H15(283)<=>C6H8(18175)+C12H14(244) 1.225854e+27 -4.376 14.581 - -! Reaction index: Chemkin #5309; RMG #468012 -! Template reaction: Disproportionation -! Flux pairs: C11H15(256), C11H14(271); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(256)<=>C6H8(18175)+C11H14(271) 1.225854e+27 -4.376 13.118 - -! Reaction index: Chemkin #5310; RMG #468054 -! Template reaction: Disproportionation -! Flux pairs: C9H13(260), C9H12(272); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H13(260)<=>C6H8(18175)+C9H12(272) 1.225854e+27 -4.376 10.232 - -! Reaction index: Chemkin #5311; RMG #468306 -! Template reaction: Disproportionation -! Flux pairs: C11H15(226), C11H14(278); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(226)<=>C6H8(18175)+C11H14(278) 1.225854e+27 -4.376 14.581 - -! Reaction index: Chemkin #5312; RMG #469358 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H12(329); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C11H13(298)<=>C6H8(18175)+C11H12(329) 1.350000e+03 2.700 0.551 - -! Reaction index: Chemkin #5313; RMG #469820 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H13(311)<=>C6H8(18175)+C9H12(18323) 1.225854e+27 -4.376 10.232 - -! Reaction index: Chemkin #5314; RMG #470036 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H17(266)<=>C6H8(18175)+C12H16(18380) 1.225854e+27 -4.376 13.349 - -! Reaction index: Chemkin #5315; RMG #144065 -! Library reaction: restart_edge -! Flux pairs: C3H4R(78), C9H11R(18275); C6H7(239), C9H11R(18275); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C3H4R(78)+C6H7(239)<=>C9H11R(18275) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5316; RMG #275400 -! Library reaction: restart_edge -! Flux pairs: C3H4R(78), C9H12R2(24302); C6H8R(287), C9H12R2(24302); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C3H4R(78)+C6H8R(287)<=>C9H12R2(24302) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #5317; RMG #480624 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C12H17(266)<=>C10H14(179)+C12H16(18380) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #5318; RMG #484445 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C11H15(234), C11H16(229); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(234)+C12H17(266)<=>C11H16(229)+C12H16(18380) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #5319; RMG #41367 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H9(113), C12H20L(4090); C6H11L(63), C12H20L(4090); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H9(113)+C6H11L(63)<=>C12H20L(4090) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #5320; RMG #144080 -! Library reaction: restart_edge -! Flux pairs: C4H6R(79), C10H13R(18283); C6H7(239), C10H13R(18283); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C4H6R(79)+C6H7(239)<=>C10H13R(18283) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5321; RMG #330148 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C10H14R(316); C10H13R(18283), C10H14R(316); -! From training reaction 2933 used for Cds-CsH_Cds-CsCs;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C10H13R(18283)<=>C10H14R(316) 3.066000e+11 0.481 7.426 - -! Reaction index: Chemkin #5322; RMG #495039 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(65)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5323; RMG #495045 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(69)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5324; RMG #495051 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(66)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5325; RMG #495057 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(68)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5326; RMG #495063 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(72)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5327; RMG #495069 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(73)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5328; RMG #495075 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(71)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5329; RMG #495081 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(67)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5330; RMG #495087 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(70)+C10H14R(316)<=>RC10L(1)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5331; RMG #495141 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C10H20R(64)<=>C10H13R(18283)+RC10(2) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5332; RMG #495195 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C10H20L(76)<=>C10H13R(18283)+LC10(3) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5333; RMG #495201 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C10H14R(316)<=>C3H5R(12)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5334; RMG #495241 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C10H14R(316)<=>CC(C)L(13)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5335; RMG #495259 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H14R(316)<=>CCCC(C)L(16)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5336; RMG #495283 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C10H14R(316)<=>C6H11R(17)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5337; RMG #495329 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C10H14R(316)<=>C3H6(18)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5338; RMG #495403 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C10H14R(316)<=>CC(C)CR(20)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5339; RMG #495473 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C10H14R(316)<=>CR(22)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5340; RMG #495509 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C10H14R(316)<=>CC(C)CC(C)CR(23)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5341; RMG #495521 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C10H14R(316)<=>C5H9L(24)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5342; RMG #495579 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C10H14R(316)<=>CC(C)CC(C)L(25)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5343; RMG #495597 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C10H14R(316)<=>CCL(26)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5344; RMG #495603 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H14R(316)<=>CCCR(27)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5345; RMG #495813 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H14R(316)<=>CCCC(C)CR(32)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5346; RMG #495903 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C10H14R(316)<=>CC(L)CC(C)L(35)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5347; RMG #496401 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H14R(316)<=>C8H17L(49)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5348; RMG #496461 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H14R(316)<=>C6H11R(56)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5349; RMG #496479 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C10H14R(316)<=>C6H11R(56)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5350; RMG #496513 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C10H14R(316)<=>C5H9L(57)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5351; RMG #496525 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C10H14R(316)<=>C5H9L(57)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5352; RMG #496559 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C10H14R(316)<=>C3H5R(58)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5353; RMG #496593 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C10H14R(316)<=>C3H5L(59)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5354; RMG #496621 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C10H14R(316)<=>C4H7R(60)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5355; RMG #496627 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C10H14R(316)<=>C4H7R(60)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5356; RMG #496655 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C10H14R(316)<=>C8H15L(61)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5357; RMG #496725 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C10H14R(316)<=>C7H13R(62)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5358; RMG #496777 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C10H14R(316)<=>C6H11L(63)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5359; RMG #496817 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C10H14R(316)<=>C(75)+C10H13R(18283) 1.150000e+13 -0.320 0.000 - -! Reaction index: Chemkin #5360; RMG #496907 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C10H14R(316)<=>C4H7R(81)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5361; RMG #496935 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C10H14R(316)<=>[H][H](83)+C10H13R(18283) 1.191692e+10 0.568 0.000 - -! Reaction index: Chemkin #5362; RMG #496941 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C10H14R(316)<=>C5H9L(84)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5363; RMG #496981 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C10H14R(316)<=>C3H5L(86)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5364; RMG #497027 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C10H14R(316)<=>CC(C)CC(C)C(87)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5365; RMG #497089 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C10H14R(316)<=>CCC(95)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5366; RMG #497095 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H14R(316)<=>CCC(95)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5367; RMG #497101 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H14R(316)<=>C6H11R(98)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5368; RMG #497285 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C10H14R(316)<=>C6H11L(107)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5369; RMG #497297 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C10H14R(316)<=>C6H11L(107)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5370; RMG #497331 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C10H14R(316)<=>C6H10(110)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5371; RMG #497623 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H14R(316)<=>C6H10(116)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5372; RMG #497629 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H14R(316)<=>C6H10(116)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5373; RMG #497709 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C10H14R(316)<=>C6H8(118)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5374; RMG #497715 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H14R(316)<=>C6H8(118)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5375; RMG #497771 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C10H14R(316)<=>C7H13R(120)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5376; RMG #497789 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C10H14R(316)<=>C7H13R(120)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5377; RMG #497817 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C10H14R(316)<=>C6H8(125)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5378; RMG #497961 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C10H14R(316)<=>C4H8(157)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5379; RMG #498099 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C10H14R(316)<=>C5H8(173)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5380; RMG #498221 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H14(179); C10H13(202), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C10H14R(316)<=>C10H13R(18283)+C10H14(179) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5381; RMG #498317 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C10H14R(316)<=>C5H8(180)+C10H13R(18283) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #5382; RMG #498383 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C10H14R(316)<=>C5H6(187)+C10H13R(18283) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #5383; RMG #498873 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C11H15(234)<=>C10H13R(18283)+C11H16(229) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5384; RMG #500315 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C10H14R(316)<=>C6H9R(285)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5385; RMG #500447 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H14R(316)<=>C6H8(290)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5386; RMG #500843 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C10H14R(316)<=>C6H11L(325)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5387; RMG #500883 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C10H14R(316)<=>C7H13R(330)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5388; RMG #501155 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C10H14R(316)<=>CC(C)C(29484)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5389; RMG #501573 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H14R(316)<=>C6H8(18175)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5390; RMG #451246 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C8H10L(18195), C8H10L(30673); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C8H10L(18195)<=>C8H10L(30673) 1.260000e+11 0.160 9.310 - -! Reaction index: Chemkin #5391; RMG #184800 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(262), C11H14L(20661); C6H7(239), C11H14L(20661); -! Estimated using template [Cds-HH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H7L(262)+C6H7(239)<=>C11H14L(20661) 2.490000e+04 2.410 8.810 - -! Reaction index: Chemkin #5392; RMG #502821 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C12H15(323)<=>C10H13R(18283)+C12H16(269) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5393; RMG #503037 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C11H13(298)<=>C10H13R(18283)+C11H14(276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5394; RMG #41353 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H9(113), C12H20L(4086); C6H11L(63), C12H20L(4086); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C6H9(113)+C6H11L(63)<=>C12H20L(4086) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #5395; RMG #144079 -! Library reaction: restart_edge -! Flux pairs: C4H6R(79), C10H13R(18282); C6H7(239), C10H13R(18282); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C4H6R(79)+C6H7(239)<=>C10H13R(18282) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5396; RMG #147698 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18680); C6H9(114), C12H16(18680); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(114)<=>C12H16(18680) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5397; RMG #276001 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H15R(24502); C6H8R(288), C12H15R(24502); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(288)<=>C12H15R(24502) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5398; RMG #41347 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H9(113), C13H22R(4084); C7H13R(62), C13H22R(4084); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H9(113)+C7H13R(62)<=>C13H22R(4084) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #5399; RMG #41331 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H9(113), C13H22R(4080); C7H13R(62), C13H22R(4080); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C6H9(113)+C7H13R(62)<=>C13H22R(4080) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #5400; RMG #144076 -! Library reaction: restart_edge -! Flux pairs: C4H6R(79), C10H13R(18280); C6H7(239), C10H13R(18280); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C4H6R(79)+C6H7(239)<=>C10H13R(18280) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5401; RMG #144075 -! Library reaction: restart_edge -! Flux pairs: C4H6R(79), C10H13R(18279); C6H7(239), C10H13R(18279); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C4H6R(79)+C6H7(239)<=>C10H13R(18279) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5402; RMG #144454 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H8(157), C10H15(18437); C6H7(239), C10H15(18437); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H8(157)+C6H7(239)<=>C10H15(18437) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #5403; RMG #275999 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H15R(24501); C6H8R(288), C12H15R(24501); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H8R(288)<=>C12H15R(24501) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5404; RMG #144534 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H6(187), C11H13(18468); C6H7(239), C11H13(18468); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-(CdC)HH] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H6(187)+C6H7(239)<=>C11H13(18468) 2.380000e+04 2.410 10.290 - -! Reaction index: Chemkin #5405; RMG #147691 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18679); C6H9(114), C12H16(18679); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C6H7(239)+C6H9(114)<=>C12H16(18679) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #5406; RMG #144352 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H15(18389); C6H8(118), C12H15(18389); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-(CdC)HH] -! Euclidian distance = 1.4142135623730951 -! family: R_Addition_MultipleBond -C6H7(239)+C6H8(118)<=>C12H15(18389) 1.190000e+04 2.410 10.290 - -! Reaction index: Chemkin #5407; RMG #167669 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #5408; RMG #167677 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #5409; RMG #167685 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5410; RMG #167693 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5411; RMG #167701 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #5412; RMG #167709 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5413; RMG #167717 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5414; RMG #167725 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5415; RMG #167733 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C12H15(18389)<=>RC10L(1)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5416; RMG #167805 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C12H15(18389)<=>RC10(2)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5417; RMG #167877 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C12H15(18389)<=>LC10(3)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5418; RMG #167885 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C12H15(18389)<=>C3H5R(12)+C12H14(257) 1.225850e+27 -4.376 10.403 - -! Reaction index: Chemkin #5419; RMG #167937 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C12H15(18389)<=>CC(C)L(13)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5420; RMG #167961 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C12H15(18389)<=>CCCC(C)L(16)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5421; RMG #167993 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C12H15(18389)<=>C6H11R(17)+C12H14(257) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #5422; RMG #168063 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C12H15(18389)<=>C3H6(18)+C12H14(257) 2.451710e+27 -4.376 9.585 - -! Reaction index: Chemkin #5423; RMG #168159 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C12H15(18389)<=>CC(C)CR(20)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5424; RMG #168251 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C12H15(18389)<=>CR(22)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5425; RMG #168299 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C12H15(18389)<=>CC(C)CC(C)CR(23)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5426; RMG #168315 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C12H15(18389)<=>C5H9L(24)+C12H14(257) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #5427; RMG #168391 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C12H15(18389)<=>CC(C)CC(C)L(25)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5428; RMG #168415 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C12H15(18389)<=>CCL(26)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5429; RMG #168423 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C12H15(18389)<=>CCCR(27)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5430; RMG #168495 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C12H15(18389)<=>CCCC(C)CR(32)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5431; RMG #168535 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C12H15(18389)<=>CC(L)CC(C)L(35)+C12H14(257) 1.225850e+27 -4.376 7.382 - -! Reaction index: Chemkin #5432; RMG #168751 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C12H15(18389)<=>C8H17L(49)+C12H14(257) 1.225850e+27 -4.376 6.922 - -! Reaction index: Chemkin #5433; RMG #168831 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(18389)<=>C6H11R(56)+C12H14(257) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #5434; RMG #168855 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C12H15(18389)<=>C6H11R(56)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5435; RMG #168899 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(18389)<=>C5H9L(57)+C12H14(257) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #5436; RMG #168915 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C12H15(18389)<=>C5H9L(57)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5437; RMG #168959 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C12H15(18389)<=>C3H5R(58)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5438; RMG #169003 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C12H15(18389)<=>C3H5L(59)+C12H14(257) 2.451710e+27 -4.376 9.551 - -! Reaction index: Chemkin #5439; RMG #169039 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C12H15(18389)<=>C4H7R(60)+C12H14(257) 2.451710e+27 -4.376 9.551 - -! Reaction index: Chemkin #5440; RMG #169047 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C12H15(18389)<=>C4H7R(60)+C12H14(257) 1.225850e+27 -4.376 10.403 - -! Reaction index: Chemkin #5441; RMG #169083 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C12H15(18389)<=>C8H15L(61)+C12H14(257) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #5442; RMG #169175 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C12H15(18389)<=>C7H13R(62)+C12H14(257) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #5443; RMG #169243 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C12H15(18389)<=>C6H11L(63)+C12H14(257) 1.225850e+27 -4.376 10.568 - -! Reaction index: Chemkin #5444; RMG #169295 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C12H15(18389)<=>C(75)+C12H14(257) 1.225850e+27 -4.376 5.492 - -! Reaction index: Chemkin #5445; RMG #169308 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C12H15(18389)<=>C4H7R(81)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5446; RMG #169344 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C12H15(18389)<=>[H][H](83)+C12H14(257) 1.225850e+27 -4.376 5.669 - -! Reaction index: Chemkin #5447; RMG #169354 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(18389)<=>C5H9L(84)+C12H14(257) 1.225850e+27 -4.376 10.553 - -! Reaction index: Chemkin #5448; RMG #169406 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C12H15(18389)<=>C3H5L(86)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5449; RMG #169466 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C12H15(18389)<=>CC(C)CC(C)C(87)+C12H14(257) 1.225850e+27 -4.376 6.326 - -! Reaction index: Chemkin #5450; RMG #169546 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C12H15(18389)<=>CCC(95)+C12H14(257) 1.225850e+27 -4.376 6.898 - -! Reaction index: Chemkin #5451; RMG #169554 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C12H15(18389)<=>CCC(95)+C12H14(257) 1.225850e+27 -4.376 6.222 - -! Reaction index: Chemkin #5452; RMG #169562 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(18389)<=>C6H11R(98)+C12H14(257) 1.225850e+27 -4.376 10.553 - -! Reaction index: Chemkin #5453; RMG #169782 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C12H15(18389)<=>C6H11L(107)+C12H14(257) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #5454; RMG #169798 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C12H15(18389)<=>C6H11L(107)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5455; RMG #169842 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C12H15(18389)<=>C6H10(110)+C12H14(257) 1.225850e+27 -4.376 12.156 - -! Reaction index: Chemkin #5456; RMG #169922 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C12H15(18389)<=>C6H10(116)+C12H14(257) 2.451710e+27 -4.376 11.307 - -! Reaction index: Chemkin #5457; RMG #169930 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C12H15(18389)<=>C6H10(116)+C12H14(257) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #5458; RMG #169974 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C12H15(18389)<=>C6H8(118)+C12H14(257) 2.451710e+27 -4.376 10.529 - -! Reaction index: Chemkin #5459; RMG #169982 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H15(18389)<=>C6H8(118)+C12H14(257) 1.225850e+27 -4.376 12.042 - -! Reaction index: Chemkin #5460; RMG #170054 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C12H15(18389)<=>C7H13R(120)+C12H14(257) 1.225850e+27 -4.376 10.966 - -! Reaction index: Chemkin #5461; RMG #170078 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C12H15(18389)<=>C7H13R(120)+C12H14(257) 1.225850e+27 -4.376 9.551 - -! Reaction index: Chemkin #5462; RMG #170114 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C12H15(18389)<=>C6H8(125)+C12H14(257) 2.451710e+27 -4.376 10.634 - -! Reaction index: Chemkin #5463; RMG #170194 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C12H15(18389)<=>C4H8(157)+C12H14(257) 2.451710e+27 -4.376 9.173 - -! Reaction index: Chemkin #5464; RMG #170318 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C12H15(18389)<=>C5H8(173)+C12H14(257) 2.451710e+27 -4.376 12.042 - -! Reaction index: Chemkin #5465; RMG #170406 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C12H15(18389)<=>C5H8(180)+C12H14(257) 2.451710e+27 -4.376 11.307 - -! Reaction index: Chemkin #5466; RMG #170432 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C12H15(18389)<=>C5H6(187)+C12H14(257) 6.129270e+27 -4.376 10.507 - -! Reaction index: Chemkin #5467; RMG #176204 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C12H15(18389)<=>C10H14(179)+C12H14(257) 1.225850e+27 -4.376 11.386 - -! Reaction index: Chemkin #5468; RMG #178959 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C11H15(234), C11H16(229); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(234)+C12H15(18389)<=>C11H16(229)+C12H14(257) 1.225850e+27 -4.376 11.307 - -! Reaction index: Chemkin #5469; RMG #269379 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C12H15(18389)<=>C6H9R(285)+C12H14(257) 1.225850e+27 -4.376 12.042 - -! Reaction index: Chemkin #5470; RMG #280797 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H15(18389)<=>C6H8(290)+C12H14(257) 1.225850e+27 -4.376 13.090 - -! Reaction index: Chemkin #5471; RMG #349227 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C12H15(18389)<=>C6H11L(325)+C12H14(257) 1.225850e+27 -4.376 11.018 - -! Reaction index: Chemkin #5472; RMG #372018 -! Library reaction: restart_edge -! Flux pairs: C12H15(18389), C12H14(257); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C12H15(18389)<=>C7H13R(330)+C12H14(257) 1.225850e+27 -4.376 11.018 - -! Reaction index: Chemkin #5473; RMG #409311 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18389), C12H14(257); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C12H15(18389)<=>CC(C)C(29484)+C12H14(257) 1.225854e+27 -4.376 6.154 - -! Reaction index: Chemkin #5474; RMG #467618 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18389), C12H14(257); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C12H15(18389)<=>C6H8(18175)+C12H14(257) 1.225854e+27 -4.376 14.581 - -! Reaction index: Chemkin #5475; RMG #560490 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C12H14(257), C12H15(18389); H(82), C12H15(18389); -! From training reaction 2545 used for Cds-HH_Cds-CdCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C12H14(257)<=>C12H15(18389) 2.580000e+08 1.640 -0.720 - -! Reaction index: Chemkin #5476; RMG #82738 -! Library reaction: restart_edge -! Flux pairs: C5H7(174), C11H16(11281); C6H9(113), C11H16(11281); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H9(113)<=>C11H16(11281) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #5477; RMG #89008 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C11H17(181); C11H16(11281), C11H17(181); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C11H16(11281)<=>C11H17(181) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #5478; RMG #143424 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C11H17(238); C11H16(11281), C11H17(238); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C11H16(11281)<=>C11H17(238) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #5479; RMG #565947 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5480; RMG #565948 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5481; RMG #565955 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5482; RMG #565956 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5483; RMG #565963 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5484; RMG #565964 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5485; RMG #565971 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5486; RMG #565972 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5487; RMG #565979 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5488; RMG #565980 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5489; RMG #565987 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5490; RMG #565988 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5491; RMG #565995 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5492; RMG #565996 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5493; RMG #566003 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5494; RMG #566004 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5495; RMG #566011 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C11H17(238)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5496; RMG #566012 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C11H17(181)<=>RC10L(1)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5497; RMG #566083 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C11H17(238)<=>RC10(2)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5498; RMG #566084 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C11H17(181)<=>RC10(2)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5499; RMG #566155 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C11H17(238)<=>LC10(3)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5500; RMG #566156 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C11H17(181)<=>LC10(3)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5501; RMG #566163 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H17(238)<=>C3H5R(12)+C11H16(11281) 1.225854e+27 -4.376 9.219 - -! Reaction index: Chemkin #5502; RMG #566164 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H17(181)<=>C3H5R(12)+C11H16(11281) 1.225854e+27 -4.376 9.405 - -! Reaction index: Chemkin #5503; RMG #566215 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C11H17(238)<=>CC(C)L(13)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5504; RMG #566216 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C11H17(181)<=>CC(C)L(13)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5505; RMG #566239 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H17(238)<=>CCCC(C)L(16)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5506; RMG #566240 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H17(181)<=>CCCC(C)L(16)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5507; RMG #566271 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H17(238)<=>C6H11R(17)+C11H16(11281) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5508; RMG #566272 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H17(181)<=>C6H11R(17)+C11H16(11281) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5509; RMG #566331 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C11H17(238)<=>C3H6(18)+C11H16(11281) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5510; RMG #566332 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C11H17(181)<=>C3H6(18)+C11H16(11281) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5511; RMG #566427 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C11H17(238)<=>CC(C)CR(20)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5512; RMG #566428 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C11H17(181)<=>CC(C)CR(20)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5513; RMG #566519 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C11H17(238)<=>CR(22)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5514; RMG #566520 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C11H17(181)<=>CR(22)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5515; RMG #566567 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C11H17(238)<=>CC(C)CC(C)CR(23)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5516; RMG #566568 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C11H17(181)<=>CC(C)CC(C)CR(23)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5517; RMG #566583 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H17(238)<=>C5H9L(24)+C11H16(11281) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5518; RMG #566584 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H17(181)<=>C5H9L(24)+C11H16(11281) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5519; RMG #566659 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C11H17(238)<=>CC(C)CC(C)L(25)+C11H16(11281) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5520; RMG #566660 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C11H17(181)<=>CC(C)CC(C)L(25)+C11H16(11281) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #5521; RMG #566683 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H17(238)<=>CCL(26)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5522; RMG #566684 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H17(181)<=>CCL(26)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5523; RMG #566691 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H17(238)<=>CCCR(27)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5524; RMG #566692 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H17(181)<=>CCCR(27)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5525; RMG #566763 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H17(238)<=>CCCC(C)CR(32)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5526; RMG #566764 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H17(181)<=>CCCC(C)CR(32)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5527; RMG #566883 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C11H17(238)<=>CC(L)CC(C)L(35)+C11H16(11281) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5528; RMG #566884 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C11H17(181)<=>CC(L)CC(C)L(35)+C11H16(11281) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #5529; RMG #567155 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H17(238)<=>C8H17L(49)+C11H16(11281) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5530; RMG #567156 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H17(181)<=>C8H17L(49)+C11H16(11281) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #5531; RMG #567235 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H17(238)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5532; RMG #567236 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H17(181)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5533; RMG #567259 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H17(238)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5534; RMG #567260 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H17(181)<=>C6H11R(56)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5535; RMG #567303 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H17(238)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5536; RMG #567304 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H17(181)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5537; RMG #567319 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H17(238)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5538; RMG #567320 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H17(181)<=>C5H9L(57)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5539; RMG #567363 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H17(238)<=>C3H5R(58)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5540; RMG #567364 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H17(181)<=>C3H5R(58)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5541; RMG #567407 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C11H17(238)<=>C3H5L(59)+C11H16(11281) 2.451708e+27 -4.376 8.429 - -! Reaction index: Chemkin #5542; RMG #567408 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C11H17(181)<=>C3H5L(59)+C11H16(11281) 2.451708e+27 -4.376 8.605 - -! Reaction index: Chemkin #5543; RMG #567443 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C11H17(238)<=>C4H7R(60)+C11H16(11281) 2.451708e+27 -4.376 8.429 - -! Reaction index: Chemkin #5544; RMG #567444 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C11H17(181)<=>C4H7R(60)+C11H16(11281) 2.451708e+27 -4.376 8.605 - -! Reaction index: Chemkin #5545; RMG #567451 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H17(238)<=>C4H7R(60)+C11H16(11281) 1.225854e+27 -4.376 9.219 - -! Reaction index: Chemkin #5546; RMG #567452 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H17(181)<=>C4H7R(60)+C11H16(11281) 1.225854e+27 -4.376 9.405 - -! Reaction index: Chemkin #5547; RMG #567487 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C11H17(238)<=>C8H15L(61)+C11H16(11281) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5548; RMG #567488 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C11H17(181)<=>C8H15L(61)+C11H16(11281) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5549; RMG #567579 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H17(238)<=>C7H13R(62)+C11H16(11281) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5550; RMG #567580 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H17(181)<=>C7H13R(62)+C11H16(11281) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5551; RMG #567647 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H17(238)<=>C6H11L(63)+C11H16(11281) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5552; RMG #567648 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H17(181)<=>C6H11L(63)+C11H16(11281) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #5553; RMG #567699 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C11H17(238)<=>C(75)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5554; RMG #567700 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C11H17(181)<=>C(75)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5555; RMG #567707 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H17(238)<=>C4H7R(81)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5556; RMG #567708 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H17(181)<=>C4H7R(81)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5557; RMG #567743 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C11H17(238)<=>[H][H](83)+C11H16(11281) 2.169000e+13 0.000 3.928 - -! Reaction index: Chemkin #5558; RMG #567744 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C11H17(181)<=>[H][H](83)+C11H16(11281) 2.169000e+13 0.000 4.043 - -! Reaction index: Chemkin #5559; RMG #567751 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H17(238)<=>C5H9L(84)+C11H16(11281) 1.225854e+27 -4.376 9.358 - -! Reaction index: Chemkin #5560; RMG #567752 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H17(181)<=>C5H9L(84)+C11H16(11281) 1.225854e+27 -4.376 9.545 - -! Reaction index: Chemkin #5561; RMG #567803 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C11H17(238)<=>C3H5L(86)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5562; RMG #567804 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C11H17(181)<=>C3H5L(86)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5563; RMG #567863 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C11H17(238)<=>CC(C)CC(C)C(87)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5564; RMG #567864 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C11H17(181)<=>CC(C)CC(C)C(87)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5565; RMG #567943 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C11H17(238)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5566; RMG #567944 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C11H17(181)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5567; RMG #567951 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C11H17(238)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5568; RMG #567952 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C11H17(181)<=>CCC(95)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5569; RMG #567959 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H17(238)<=>C6H11R(98)+C11H16(11281) 1.225854e+27 -4.376 9.358 - -! Reaction index: Chemkin #5570; RMG #567960 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H17(181)<=>C6H11R(98)+C11H16(11281) 1.225854e+27 -4.376 9.545 - -! Reaction index: Chemkin #5571; RMG #568179 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H17(238)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5572; RMG #568180 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H17(181)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5573; RMG #568195 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H17(238)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5574; RMG #568196 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H17(181)<=>C6H11L(107)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5575; RMG #568239 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C11H17(238)<=>C6H10(110)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5576; RMG #568240 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C11H17(181)<=>C6H10(110)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5577; RMG #568407 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C11H17(238)<=>C6H10(116)+C11H16(11281) 2.451708e+27 -4.376 10.059 - -! Reaction index: Chemkin #5578; RMG #568408 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C11H17(181)<=>C6H10(116)+C11H16(11281) 2.451708e+27 -4.376 10.255 - -! Reaction index: Chemkin #5579; RMG #568415 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H17(238)<=>C6H10(116)+C11H16(11281) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #5580; RMG #568416 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H17(181)<=>C6H10(116)+C11H16(11281) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #5581; RMG #568459 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H17(238)<=>C6H8(118)+C11H16(11281) 2.451708e+27 -4.376 9.335 - -! Reaction index: Chemkin #5582; RMG #568460 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H17(181)<=>C6H8(118)+C11H16(11281) 2.451708e+27 -4.376 9.523 - -! Reaction index: Chemkin #5583; RMG #568467 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(238)<=>C6H8(118)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5584; RMG #568468 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(181)<=>C6H8(118)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5585; RMG #568539 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H17(238)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5586; RMG #568540 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H17(181)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #5587; RMG #568563 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H17(238)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5588; RMG #568564 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H17(181)<=>C7H13R(120)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #5589; RMG #568599 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H17(238)<=>C6H8(125)+C11H16(11281) 2.451708e+27 -4.376 9.433 - -! Reaction index: Chemkin #5590; RMG #568600 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H17(181)<=>C6H8(125)+C11H16(11281) 2.451708e+27 -4.376 9.622 - -! Reaction index: Chemkin #5591; RMG #568679 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C11H17(238)<=>C4H8(157)+C11H16(11281) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5592; RMG #568680 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C11H17(181)<=>C4H8(157)+C11H16(11281) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5593; RMG #568803 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C11H17(238)<=>C5H8(173)+C11H16(11281) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5594; RMG #568804 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C11H17(181)<=>C5H8(173)+C11H16(11281) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5595; RMG #568891 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C11H17(238)<=>C5H8(180)+C11H16(11281) 2.451708e+27 -4.376 10.059 - -! Reaction index: Chemkin #5596; RMG #568892 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C11H17(181)<=>C5H8(180)+C11H16(11281) 2.451708e+27 -4.376 10.255 - -! Reaction index: Chemkin #5597; RMG #568917 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C11H17(238)<=>C5H6(187)+C11H16(11281) 6.129270e+27 -4.376 9.315 - -! Reaction index: Chemkin #5598; RMG #568918 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C11H17(181)<=>C5H6(187)+C11H16(11281) 6.129270e+27 -4.376 9.503 - -! Reaction index: Chemkin #5599; RMG #569249 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H17(238)<=>C6H9R(285)+C11H16(11281) 1.225854e+27 -4.376 10.743 - -! Reaction index: Chemkin #5600; RMG #569250 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H17(181)<=>C6H9R(285)+C11H16(11281) 1.225854e+27 -4.376 10.947 - -! Reaction index: Chemkin #5601; RMG #569329 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(238)<=>C6H8(290)+C11H16(11281) 1.225854e+27 -4.376 11.722 - -! Reaction index: Chemkin #5602; RMG #569330 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(181)<=>C6H8(290)+C11H16(11281) 1.225854e+27 -4.376 11.938 - -! Reaction index: Chemkin #5603; RMG #569401 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H17(238)<=>C6H11L(325)+C11H16(11281) 1.225854e+27 -4.376 9.790 - -! Reaction index: Chemkin #5604; RMG #569402 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H17(181)<=>C6H11L(325)+C11H16(11281) 1.225854e+27 -4.376 9.983 - -! Reaction index: Chemkin #5605; RMG #569453 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H17(238)<=>C7H13R(330)+C11H16(11281) 1.225854e+27 -4.376 9.790 - -! Reaction index: Chemkin #5606; RMG #569454 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H17(181)<=>C7H13R(330)+C11H16(11281) 1.225854e+27 -4.376 9.983 - -! Reaction index: Chemkin #5607; RMG #569521 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C11H17(238)<=>CC(C)C(29484)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5608; RMG #569522 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C11H17(181)<=>CC(C)C(29484)+C11H16(11281) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5609; RMG #569782 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(238)<=>C6H8(18175)+C11H16(11281) 1.225854e+27 -4.376 13.118 - -! Reaction index: Chemkin #5610; RMG #569783 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(181)<=>C6H8(18175)+C11H16(11281) 1.225854e+27 -4.376 13.349 - -! Reaction index: Chemkin #5611; RMG #148272 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18726); C6H9(161), C12H16(18726); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(161)<=>C12H16(18726) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #5612; RMG #574365 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C11H17(238)<=>C10H14(179)+C11H16(11281) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #5613; RMG #574366 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C11H17(181)<=>C10H14(179)+C11H16(11281) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #5614; RMG #575425 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C11H15(234), C11H16(229); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(234)+C11H17(238)<=>C11H16(229)+C11H16(11281) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #5615; RMG #575426 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C11H15(234), C11H16(229); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(234)+C11H17(181)<=>C11H16(229)+C11H16(11281) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #5616; RMG #144083 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H7R(81), C10H14R(18285); C6H7(239), C10H14R(18285); -! Estimated using template [Cds-CsH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C4H7R(81)+C6H7(239)<=>C10H14R(18285) 1.340000e+04 2.410 12.700 - -! Reaction index: Chemkin #5617; RMG #144446 -! Library reaction: restart_edge -! Flux pairs: C3H4L(147), C9H11L(18431); C6H7(239), C9H11L(18431); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+C6H7(239)<=>C9H11L(18431) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #5618; RMG #282911 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C9H12L(293); C9H11L(18431), C9H12L(293); -! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C9H11L(18431)<=>C9H12L(293) 1.691000e+10 1.168 2.996 - -! Reaction index: Chemkin #5619; RMG #577442 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(65)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.481 - -! Reaction index: Chemkin #5620; RMG #577448 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(69)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.481 - -! Reaction index: Chemkin #5621; RMG #577454 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(66)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5622; RMG #577460 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(68)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5623; RMG #577466 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(72)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.481 - -! Reaction index: Chemkin #5624; RMG #577472 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(73)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5625; RMG #577478 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(71)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5626; RMG #577484 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(67)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5627; RMG #577490 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C9H17LR(70)<=>C9H11L(18431)+RC10L(1) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5628; RMG #577544 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C10H20R(64)<=>C9H11L(18431)+RC10(2) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5629; RMG #577598 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C10H20L(76)<=>C9H11L(18431)+LC10(3) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5630; RMG #577604 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H12L(293)<=>C3H5R(12)+C9H11L(18431) 1.225854e+27 -4.376 6.748 - -! Reaction index: Chemkin #5631; RMG #577642 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C9H12L(293)<=>CC(C)L(13)+C9H11L(18431) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5632; RMG #577660 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H12L(293)<=>CCCC(C)L(16)+C9H11L(18431) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5633; RMG #577684 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H12L(293)<=>C6H11R(17)+C9H11L(18431) 1.225854e+27 -4.376 6.874 - -! Reaction index: Chemkin #5634; RMG #577728 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C9H12L(293)<=>C3H6(18)+C9H11L(18431) 2.451708e+27 -4.376 6.124 - -! Reaction index: Chemkin #5635; RMG #577798 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C9H12L(293)<=>CC(C)CR(20)+C9H11L(18431) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5636; RMG #577866 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C9H12L(293)<=>CR(22)+C9H11L(18431) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5637; RMG #577902 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C9H12L(293)<=>CC(C)CC(C)CR(23)+C9H11L(18431) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5638; RMG #577914 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H12L(293)<=>C5H9L(24)+C9H11L(18431) 1.225854e+27 -4.376 6.874 - -! Reaction index: Chemkin #5639; RMG #577970 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C9H12L(293)<=>CC(C)CC(C)L(25)+C9H11L(18431) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5640; RMG #577988 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H12L(293)<=>CCL(26)+C9H11L(18431) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5641; RMG #577994 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H12L(293)<=>CCCR(27)+C9H11L(18431) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5642; RMG #578024 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H12L(293)<=>CCCC(C)CR(32)+C9H11L(18431) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5643; RMG #578054 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C9H12L(293)<=>CC(L)CC(C)L(35)+C9H11L(18431) 1.225854e+27 -4.376 4.481 - -! Reaction index: Chemkin #5644; RMG #578180 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H12L(293)<=>C8H17L(49)+C9H11L(18431) 1.225854e+27 -4.376 4.144 - -! Reaction index: Chemkin #5645; RMG #578234 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H12L(293)<=>C6H11R(56)+C9H11L(18431) 1.225854e+27 -4.376 7.179 - -! Reaction index: Chemkin #5646; RMG #578252 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H12L(293)<=>C6H11R(56)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5647; RMG #578284 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H12L(293)<=>C5H9L(57)+C9H11L(18431) 1.225854e+27 -4.376 7.179 - -! Reaction index: Chemkin #5648; RMG #578296 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H12L(293)<=>C5H9L(57)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5649; RMG #578328 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H12L(293)<=>C3H5R(58)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5650; RMG #578360 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C9H12L(293)<=>C3H5L(59)+C9H11L(18431) 2.451708e+27 -4.376 6.099 - -! Reaction index: Chemkin #5651; RMG #578386 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C9H12L(293)<=>C4H7R(60)+C9H11L(18431) 2.451708e+27 -4.376 6.099 - -! Reaction index: Chemkin #5652; RMG #578392 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H12L(293)<=>C4H7R(60)+C9H11L(18431) 1.225854e+27 -4.376 6.748 - -! Reaction index: Chemkin #5653; RMG #578418 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C9H12L(293)<=>C8H15L(61)+C9H11L(18431) 1.225854e+27 -4.376 7.179 - -! Reaction index: Chemkin #5654; RMG #578486 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H12L(293)<=>C7H13R(62)+C9H11L(18431) 1.225854e+27 -4.376 6.874 - -! Reaction index: Chemkin #5655; RMG #578536 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H12L(293)<=>C6H11L(63)+C9H11L(18431) 1.225854e+27 -4.376 6.874 - -! Reaction index: Chemkin #5656; RMG #578574 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C9H12L(293)<=>C(75)+C9H11L(18431) 1.225854e+27 -4.376 3.120 - -! Reaction index: Chemkin #5657; RMG #578580 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H12L(293)<=>C4H7R(81)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5658; RMG #578606 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C9H12L(293)<=>[H][H](83)+C9H11L(18431) 1.225854e+27 -4.376 3.245 - -! Reaction index: Chemkin #5659; RMG #578612 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H12L(293)<=>C5H9L(84)+C9H11L(18431) 1.225854e+27 -4.376 6.862 - -! Reaction index: Chemkin #5660; RMG #578650 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C9H12L(293)<=>C3H5L(86)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5661; RMG #578694 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C9H12L(293)<=>CC(C)CC(C)C(87)+C9H11L(18431) 1.225854e+27 -4.376 3.713 - -! Reaction index: Chemkin #5662; RMG #578752 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C9H12L(293)<=>CCC(95)+C9H11L(18431) 1.225854e+27 -4.376 4.127 - -! Reaction index: Chemkin #5663; RMG #578758 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C9H12L(293)<=>CCC(95)+C9H11L(18431) 1.225854e+27 -4.376 3.639 - -! Reaction index: Chemkin #5664; RMG #578764 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H12L(293)<=>C6H11R(98)+C9H11L(18431) 1.225854e+27 -4.376 6.862 - -! Reaction index: Chemkin #5665; RMG #578924 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H12L(293)<=>C6H11L(107)+C9H11L(18431) 1.225854e+27 -4.376 7.179 - -! Reaction index: Chemkin #5666; RMG #578936 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H12L(293)<=>C6H11L(107)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5667; RMG #578968 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C9H12L(293)<=>C6H10(110)+C9H11L(18431) 1.225854e+27 -4.376 8.101 - -! Reaction index: Chemkin #5668; RMG #579026 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C9H12L(293)<=>C6H10(116)+C9H11L(18431) 2.451708e+27 -4.376 7.443 - -! Reaction index: Chemkin #5669; RMG #579032 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H12L(293)<=>C6H10(116)+C9H11L(18431) 1.225854e+27 -4.376 7.443 - -! Reaction index: Chemkin #5670; RMG #579064 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H12L(293)<=>C6H8(118)+C9H11L(18431) 2.451708e+27 -4.376 6.844 - -! Reaction index: Chemkin #5671; RMG #579070 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H12L(293)<=>C6H8(118)+C9H11L(18431) 1.225854e+27 -4.376 8.012 - -! Reaction index: Chemkin #5672; RMG #579122 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H12L(293)<=>C7H13R(120)+C9H11L(18431) 1.225854e+27 -4.376 7.179 - -! Reaction index: Chemkin #5673; RMG #579140 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H12L(293)<=>C7H13R(120)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #5674; RMG #579166 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H12L(293)<=>C6H8(125)+C9H11L(18431) 2.451708e+27 -4.376 6.924 - -! Reaction index: Chemkin #5675; RMG #579224 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C9H12L(293)<=>C4H8(157)+C9H11L(18431) 2.451708e+27 -4.376 5.813 - -! Reaction index: Chemkin #5676; RMG #579282 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C9H12L(293)<=>C5H8(173)+C9H11L(18431) 2.451708e+27 -4.376 8.012 - -! Reaction index: Chemkin #5677; RMG #579346 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C9H12L(293)<=>C5H8(180)+C9H11L(18431) 2.451708e+27 -4.376 7.443 - -! Reaction index: Chemkin #5678; RMG #579488 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H12L(293)<=>C6H9R(285)+C9H11L(18431) 1.225854e+27 -4.376 8.012 - -! Reaction index: Chemkin #5679; RMG #579546 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H12L(293)<=>C6H8(290)+C9H11L(18431) 1.225854e+27 -4.376 8.832 - -! Reaction index: Chemkin #5680; RMG #579598 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H12L(293)<=>C6H11L(325)+C9H11L(18431) 1.225854e+27 -4.376 7.220 - -! Reaction index: Chemkin #5681; RMG #579636 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H12L(293)<=>C7H13R(330)+C9H11L(18431) 1.225854e+27 -4.376 7.220 - -! Reaction index: Chemkin #5682; RMG #579686 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C9H12L(293)<=>CC(C)C(29484)+C9H11L(18431) 1.225854e+27 -4.376 3.590 - -! Reaction index: Chemkin #5683; RMG #579692 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H12L(293)<=>C6H8(18175)+C9H11L(18431) 1.225854e+27 -4.376 10.009 - -! Reaction index: Chemkin #5684; RMG #580942 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C10H13(202)<=>C9H11L(18431)+C10H14(179) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #5685; RMG #581070 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C9H12L(293)<=>C5H6(187)+C9H11L(18431) 6.129270e+27 -4.376 6.827 - -! Reaction index: Chemkin #5686; RMG #581674 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C11H15(234)<=>C9H11L(18431)+C11H16(229) 1.225854e+27 -4.376 7.443 - -! Reaction index: Chemkin #5687; RMG #234292 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(65)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5688; RMG #234296 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(69)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5689; RMG #234300 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(66)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5690; RMG #234304 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(68)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5691; RMG #234308 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(72)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5692; RMG #234312 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(73)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5693; RMG #234316 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(71)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5694; RMG #234320 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(67)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5695; RMG #234324 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(70)+C12H15(22038)<=>RC10L(1)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5696; RMG #234360 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H20R(64)+C12H15(22038)<=>RC10(2)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5697; RMG #234396 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H20L(76)+C12H15(22038)<=>LC10(3)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5698; RMG #234400 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C12H15(22038)<=>C3H5R(12)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5699; RMG #234426 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C12H15(22038)<=>CC(C)L(13)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5700; RMG #234438 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C12H15(22038)<=>CCCC(C)L(16)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5701; RMG #234454 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C12H15(22038)<=>C6H11R(17)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5702; RMG #234484 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C12H15(22038)<=>C3H6(18)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5703; RMG #234532 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C12H15(22038)<=>CC(C)CR(20)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5704; RMG #234578 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C12H15(22038)<=>CR(22)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5705; RMG #234602 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C12H15(22038)<=>CC(C)CC(C)CR(23)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5706; RMG #234610 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C12H15(22038)<=>C5H9L(24)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5707; RMG #234648 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C12H15(22038)<=>CC(C)CC(C)L(25)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5708; RMG #234660 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C12H15(22038)<=>CCL(26)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5709; RMG #234664 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C12H15(22038)<=>CCCR(27)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5710; RMG #234788 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C12H15(22038)<=>CCCC(C)CR(32)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5711; RMG #234878 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C12H15(22038)<=>CC(L)CC(C)L(35)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5712; RMG #235270 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C12H15(22038)<=>C8H17L(49)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5713; RMG #235310 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C12H15(22038)<=>C6H11R(56)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5714; RMG #235322 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C12H15(22038)<=>C6H11R(56)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5715; RMG #235344 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C12H15(22038)<=>C5H9L(57)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5716; RMG #235352 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C12H15(22038)<=>C5H9L(57)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5717; RMG #235374 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C12H15(22038)<=>C3H5R(58)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5718; RMG #235396 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C12H15(22038)<=>C3H5L(59)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5719; RMG #235414 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C12H15(22038)<=>C4H7R(60)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5720; RMG #235418 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C12H15(22038)<=>C4H7R(60)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5721; RMG #235436 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C12H15(22038)<=>C8H15L(61)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5722; RMG #235482 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C12H15(22038)<=>C7H13R(62)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5723; RMG #235516 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C12H15(22038)<=>C6H11L(63)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5724; RMG #235542 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C12H15(22038)<=>C(75)+C12H14(277) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #5725; RMG #235545 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C12H15(22038)<=>C(75)+C12H14(277) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #5726; RMG #235585 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C12H15(22038)<=>C4H7R(81)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5727; RMG #235603 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C12H15(22038)<=>[H][H](83)+C12H14(277) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #5728; RMG #235608 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C12H15(22038)<=>C5H9L(84)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5729; RMG #235634 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C12H15(22038)<=>C3H5L(86)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5730; RMG #235664 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C12H15(22038)<=>CC(C)CC(C)C(87)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5731; RMG #235704 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C12H15(22038)<=>CCC(95)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5732; RMG #235708 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C12H15(22038)<=>CCC(95)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5733; RMG #235712 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C12H15(22038)<=>C6H11R(98)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5734; RMG #235831 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C12H15(22038)<=>C6H11L(107)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5735; RMG #235839 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C12H15(22038)<=>C6H11L(107)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5736; RMG #235861 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C12H15(22038)<=>C6H10(110)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5737; RMG #236048 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C12H15(22038)<=>C6H10(116)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5738; RMG #236052 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(22038)<=>C6H10(116)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5739; RMG #236074 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C12H15(22038)<=>C6H8(118)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5740; RMG #236078 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C12H15(22038)<=>C6H8(118)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5741; RMG #236114 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C12H15(22038)<=>C7H13R(120)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5742; RMG #236126 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C12H15(22038)<=>C7H13R(120)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5743; RMG #236144 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C12H15(22038)<=>C6H8(125)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5744; RMG #236228 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C12H15(22038)<=>C4H8(157)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5745; RMG #236290 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C12H15(22038)<=>C5H8(173)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5746; RMG #236352 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C12H15(22038)<=>C5H8(180)+C12H14(277) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #5747; RMG #236365 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C12H15(22038)<=>C5H6(187)+C12H14(277) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #5748; RMG #251139 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C12H15(22038)<=>C10H14(179)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5749; RMG #256767 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C11H15(234), C11H16(229); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C11H15(234)+C12H15(22038)<=>C11H16(229)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5750; RMG #261576 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H16(269); C12H15(323), C12H14(277); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C12H15(323)+C12H15(22038)<=>C12H14(277)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5751; RMG #270241 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C12H15(22038)<=>C6H9R(285)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5752; RMG #279315 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H15(22038); C6H8(290), C12H15(22038); -! Estimated using template [Cds-HH_Cds-CdCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CdCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H8(290)<=>C12H15(22038) 2.820000e+04 2.410 8.390 - -! Reaction index: Chemkin #5753; RMG #281458 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C12H15(22038)<=>C6H8(290)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5754; RMG #349807 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C12H15(22038)<=>C6H11L(325)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5755; RMG #371271 -! Library reaction: restart_edge -! Flux pairs: C12H15(22038), C12H14(277); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C12H15(22038)<=>C7H13R(330)+C12H14(277) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #5756; RMG #409728 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H14(277); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C12H15(22038)<=>CC(C)C(29484)+C12H14(277) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5757; RMG #468261 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H14(277); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C12H15(22038)<=>C6H8(18175)+C12H14(277) 1.350000e+03 2.700 0.533 - -! Reaction index: Chemkin #5758; RMG #585051 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C12H14(277), C12H15(22038); H(82), C12H15(22038); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -H(82)+C12H14(277)<=>C12H15(22038) 3.300000e+09 1.480 0.900 - -! Reaction index: Chemkin #5759; RMG #586194 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C12H15(323)<=>C9H11L(18431)+C12H16(269) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #5760; RMG #586398 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C11H13(298)<=>C9H11L(18431)+C11H14(276) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #5761; RMG #144515 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H8(173), C11H15(18464); C6H7(239), C11H15(18464); -! From training reaction 278 used for Cds-HH_Cds-CdH;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C5H8(173)+C6H7(239)<=>C11H15(18464) 4.330000e+03 2.410 8.570 - -! Reaction index: Chemkin #5762; RMG #153206 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #5763; RMG #153214 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #5764; RMG #153222 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5765; RMG #153230 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5766; RMG #153238 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #5767; RMG #153246 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5768; RMG #153254 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5769; RMG #153262 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5770; RMG #153270 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C11H15(18464)<=>RC10L(1)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5771; RMG #153342 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C11H15(18464)<=>RC10(2)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5772; RMG #153414 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C11H15(18464)<=>LC10(3)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5773; RMG #153422 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H15(18464)<=>C3H5R(12)+C11H14(246) 1.225850e+27 -4.376 9.219 - -! Reaction index: Chemkin #5774; RMG #153474 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C11H15(18464)<=>CC(C)L(13)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5775; RMG #153508 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H15(18464)<=>CCCC(C)L(16)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5776; RMG #153540 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H15(18464)<=>C6H11R(17)+C11H14(246) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #5777; RMG #153600 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C11H15(18464)<=>C3H6(18)+C11H14(246) 2.451710e+27 -4.376 8.460 - -! Reaction index: Chemkin #5778; RMG #153696 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C11H15(18464)<=>CC(C)CR(20)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5779; RMG #153788 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C11H15(18464)<=>CR(22)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5780; RMG #153836 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C11H15(18464)<=>CC(C)CC(C)CR(23)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5781; RMG #153852 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H15(18464)<=>C5H9L(24)+C11H14(246) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #5782; RMG #153938 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C11H15(18464)<=>CC(C)CC(C)L(25)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5783; RMG #153962 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H15(18464)<=>CCL(26)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5784; RMG #153970 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H15(18464)<=>CCCR(27)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5785; RMG #154170 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H15(18464)<=>CCCC(C)CR(32)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5786; RMG #154290 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C11H15(18464)<=>CC(L)CC(C)L(35)+C11H14(246) 1.225850e+27 -4.376 6.429 - -! Reaction index: Chemkin #5787; RMG #154890 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H15(18464)<=>C8H17L(49)+C11H14(246) 1.225850e+27 -4.376 6.007 - -! Reaction index: Chemkin #5788; RMG #154986 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(18464)<=>C6H11R(56)+C11H14(246) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #5789; RMG #155010 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H15(18464)<=>C6H11R(56)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5790; RMG #155054 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(18464)<=>C5H9L(57)+C11H14(246) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #5791; RMG #155070 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H15(18464)<=>C5H9L(57)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5792; RMG #155114 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H15(18464)<=>C3H5R(58)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5793; RMG #155158 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C11H15(18464)<=>C3H5L(59)+C11H14(246) 2.451710e+27 -4.376 8.429 - -! Reaction index: Chemkin #5794; RMG #155199 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C11H15(18464)<=>C4H7R(60)+C11H14(246) 2.451710e+27 -4.376 8.429 - -! Reaction index: Chemkin #5795; RMG #155207 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H15(18464)<=>C4H7R(60)+C11H14(246) 1.225850e+27 -4.376 9.219 - -! Reaction index: Chemkin #5796; RMG #155263 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C11H15(18464)<=>C8H15L(61)+C11H14(246) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #5797; RMG #155371 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H15(18464)<=>C7H13R(62)+C11H14(246) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #5798; RMG #155453 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H15(18464)<=>C6H11L(63)+C11H14(246) 1.225850e+27 -4.376 9.371 - -! Reaction index: Chemkin #5799; RMG #155505 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C11H15(18464)<=>C(75)+C11H14(246) 1.225850e+27 -4.376 4.703 - -! Reaction index: Chemkin #5800; RMG #155518 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H15(18464)<=>C4H7R(81)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5801; RMG #155554 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C11H15(18464)<=>[H][H](83)+C11H14(246) 1.225850e+27 -4.376 4.864 - -! Reaction index: Chemkin #5802; RMG #155563 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H15(18464)<=>C5H9L(84)+C11H14(246) 1.225850e+27 -4.376 9.358 - -! Reaction index: Chemkin #5803; RMG #155615 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C11H15(18464)<=>C3H5L(86)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5804; RMG #155675 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C11H15(18464)<=>CC(C)CC(C)C(87)+C11H14(246) 1.225850e+27 -4.376 5.462 - -! Reaction index: Chemkin #5805; RMG #155755 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C11H15(18464)<=>CCC(95)+C11H14(246) 1.225850e+27 -4.376 5.985 - -! Reaction index: Chemkin #5806; RMG #155763 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C11H15(18464)<=>CCC(95)+C11H14(246) 1.225850e+27 -4.376 5.367 - -! Reaction index: Chemkin #5807; RMG #155771 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(18464)<=>C6H11R(98)+C11H14(246) 1.225850e+27 -4.376 9.358 - -! Reaction index: Chemkin #5808; RMG #155991 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H15(18464)<=>C6H11L(107)+C11H14(246) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #5809; RMG #156007 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H15(18464)<=>C6H11L(107)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5810; RMG #156051 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C11H15(18464)<=>C6H10(110)+C11H14(246) 1.225850e+27 -4.376 10.849 - -! Reaction index: Chemkin #5811; RMG #156339 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C11H15(18464)<=>C6H10(116)+C11H14(246) 2.451710e+27 -4.376 10.059 - -! Reaction index: Chemkin #5812; RMG #156347 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H15(18464)<=>C6H10(116)+C11H14(246) 1.225850e+27 -4.376 10.059 - -! Reaction index: Chemkin #5813; RMG #156451 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H15(18464)<=>C6H8(118)+C11H14(246) 2.451710e+27 -4.376 9.335 - -! Reaction index: Chemkin #5814; RMG #156459 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(18464)<=>C6H8(118)+C11H14(246) 1.225850e+27 -4.376 10.743 - -! Reaction index: Chemkin #5815; RMG #156531 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H15(18464)<=>C7H13R(120)+C11H14(246) 1.225850e+27 -4.376 9.741 - -! Reaction index: Chemkin #5816; RMG #156555 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H15(18464)<=>C7H13R(120)+C11H14(246) 1.225850e+27 -4.376 8.429 - -! Reaction index: Chemkin #5817; RMG #156591 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H15(18464)<=>C6H8(125)+C11H14(246) 2.451710e+27 -4.376 9.433 - -! Reaction index: Chemkin #5818; RMG #156671 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C11H15(18464)<=>C4H8(157)+C11H14(246) 2.451710e+27 -4.376 8.079 - -! Reaction index: Chemkin #5819; RMG #156795 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C11H15(18464)<=>C5H8(173)+C11H14(246) 2.451710e+27 -4.376 10.743 - -! Reaction index: Chemkin #5820; RMG #156883 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C11H15(18464)<=>C5H8(180)+C11H14(246) 2.451710e+27 -4.376 10.059 - -! Reaction index: Chemkin #5821; RMG #156909 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C11H15(18464)<=>C5H6(187)+C11H14(246) 6.129270e+27 -4.376 9.315 - -! Reaction index: Chemkin #5822; RMG #167443 -! Library reaction: restart_edge -! Flux pairs: C11H15(234), C11H16(229); C11H15(18464), C11H14(246); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(18464)+C11H15(234)<=>C11H14(246)+C11H16(229) 1.225850e+27 -4.376 10.059 - -! Reaction index: Chemkin #5823; RMG #176064 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C11H15(18464)<=>C10H14(179)+C11H14(246) 1.225850e+27 -4.376 10.132 - -! Reaction index: Chemkin #5824; RMG #269189 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H15(18464)<=>C6H9R(285)+C11H14(246) 1.225850e+27 -4.376 10.743 - -! Reaction index: Chemkin #5825; RMG #280597 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(18464)<=>C6H8(290)+C11H14(246) 1.225850e+27 -4.376 11.722 - -! Reaction index: Chemkin #5826; RMG #349071 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H15(18464)<=>C6H11L(325)+C11H14(246) 1.225850e+27 -4.376 9.790 - -! Reaction index: Chemkin #5827; RMG #371868 -! Library reaction: restart_edge -! Flux pairs: C11H15(18464), C11H14(246); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H15(18464)<=>C7H13R(330)+C11H14(246) 1.225850e+27 -4.376 9.790 - -! Reaction index: Chemkin #5828; RMG #409248 -! Template reaction: Disproportionation -! Flux pairs: C11H15(18464), C11H14(246); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C11H15(18464)<=>CC(C)C(29484)+C11H14(246) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5829; RMG #467437 -! Template reaction: Disproportionation -! Flux pairs: C11H15(18464), C11H14(246); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H15(18464)<=>C6H8(18175)+C11H14(246) 1.225854e+27 -4.376 13.118 - -! Reaction index: Chemkin #5830; RMG #587160 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C11H14(246), C11H15(18464); H(82), C11H15(18464); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C11H14(246)<=>C11H15(18464) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #5831; RMG #144445 -! Library reaction: restart_edge -! Flux pairs: C3H4L(147), C9H11L(18430); C6H7(239), C9H11L(18430); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+C6H7(239)<=>C9H11L(18430) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #5832; RMG #577425 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C10H14R(18285), C10H14R(33566); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H -C10H14R(18285)<=>C10H14R(33566) 9.450000e+10 0.290 6.349 - -! Reaction index: Chemkin #5833; RMG #144392 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H15(18406); C6H8(125), C12H15(18406); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;CsJ-(CdC)HH] -! Euclidian distance = 1.4142135623730951 -! family: R_Addition_MultipleBond -C6H7(239)+C6H8(125)<=>C12H15(18406) 1.190000e+04 2.410 10.290 - -! Reaction index: Chemkin #5834; RMG #506857 -! Template reaction: R_Recombination -! Flux pairs: C12H15(18406), C12H16(18680); H(82), C12H16(18680); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO -H(82)+C12H15(18406)<=>C12H16(18680) 3.680110e+13 -0.486 0.000 - -! Reaction index: Chemkin #5835; RMG #507058 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C12H15(18406)<=>C3H5R(12)+C12H16(18680) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5836; RMG #507156 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C12H15(18406)<=>C6H11R(17)+C12H16(18680) 1.225854e+27 -4.376 7.493 - -! Reaction index: Chemkin #5837; RMG #507184 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C12H15(18406)<=>C3H6(18)+C12H16(18680) 2.105300e+14 -0.550 0.172 - -! Reaction index: Chemkin #5838; RMG #507194 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C12H15(18406)<=>C3H6(18)+C12H16(18680) 2.451708e+27 -4.376 7.580 - -! Reaction index: Chemkin #5839; RMG #507216 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C12H15(18406)<=>C2H3L(19)+C12H16(18680) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5840; RMG #507312 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C12H15(18406)<=>C8H15L(21)+C12H16(18680) 1.225854e+27 -4.376 7.493 - -! Reaction index: Chemkin #5841; RMG #507404 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C12H15(18406)<=>C5H9L(24)+C12H16(18680) 1.225854e+27 -4.376 7.493 - -! Reaction index: Chemkin #5842; RMG #507900 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C12H15(18406)<=>C6H11R(56)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5843; RMG #507950 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C12H15(18406)<=>C5H9L(57)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5844; RMG #507998 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C12H15(18406)<=>C3H5R(58)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5845; RMG #508020 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C12H15(18406)<=>C3H5L(59)+C12H16(18680) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #5846; RMG #508058 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C12H15(18406)<=>C4H7R(60)+C12H16(18680) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #5847; RMG #508126 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C12H15(18406)<=>C8H15L(61)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5848; RMG #508182 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C12H15(18406)<=>C7H13R(62)+C12H16(18680) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #5849; RMG #508232 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C12H15(18406)<=>C6H11L(63)+C12H16(18680) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #5850; RMG #508942 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(18406)<=>C6H8(118)+C12H16(18680) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5851; RMG #509062 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(18406)<=>C6H8(125)+C12H16(18680) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5852; RMG #509072 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C12H15(18406)<=>C6H8(125)+C12H16(18680) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #5853; RMG #509104 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C12H15(18406)<=>C4H8(157)+C12H16(18680) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #5854; RMG #509316 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C12H15(18406)<=>C5H6(187)+C12H16(18680) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #5855; RMG #509492 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(118), C6H7(239); C12H15(18406), C12H16(18680); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C12H15(18406)<=>C6H7(239)+C12H16(18680) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #5856; RMG #509508 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C12H15(18406), C12H16(18680); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C12H15(18406)<=>C6H7(239)+C12H16(18680) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #5857; RMG #509524 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C12H15(18406), C12H16(18680); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C12H15(18406)<=>C6H7(239)+C12H16(18680) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5858; RMG #509568 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C12H15(18406)<=>C6H6(252)+C12H16(18680) 1.350000e+03 2.700 0.437 - -! Reaction index: Chemkin #5859; RMG #509588 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C12H15(18406)<=>C6H6(252)+C12H16(18680) 1.225854e+27 -4.376 11.468 - -! Reaction index: Chemkin #5860; RMG #509622 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C12H15(18406)<=>C5H7L(262)+C12H16(18680) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #5861; RMG #509652 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(18406)<=>C5H7L(262)+C12H16(18680) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #5862; RMG #509722 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C12H15(18406)<=>C6H9R(285)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5863; RMG #509774 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C12H15(18406), C12H16(18680); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C12H15(18406)<=>C6H8R(287)+C12H16(18680) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #5864; RMG #509942 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C12H15(18406)<=>C6H8(290)+C12H16(18680) 1.225854e+27 -4.376 11.307 - -! Reaction index: Chemkin #5865; RMG #510468 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C12H15(18406)<=>C9H12(18323)+C12H16(18680) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5866; RMG #514720 -! Template reaction: H_Abstraction -! Flux pairs: C5H9L(57), C5H8L(77); C12H15(18406), C12H16(18680); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C12H15(18406)<=>C5H8L(77)+C12H16(18680) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #5867; RMG #514736 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(77), C5H9L(84); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C12H16(18680)<=>C5H9L(84)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5868; RMG #514812 -! Template reaction: H_Abstraction -! Flux pairs: C3H4R(78), C3H5R(12); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C12H16(18680)<=>C3H5R(12)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5869; RMG #514828 -! Template reaction: H_Abstraction -! Flux pairs: C3H4R(78), C3H5R(58); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C12H16(18680)<=>C3H5R(58)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5870; RMG #514904 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(60); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C12H16(18680)<=>C4H7R(60)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5871; RMG #514920 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(79), C4H7R(81); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C12H16(18680)<=>C4H7R(81)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5872; RMG #515134 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(24); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C12H16(18680)<=>C5H9L(24)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5873; RMG #515150 -! Template reaction: H_Abstraction -! Flux pairs: C5H8L(89), C5H9L(57); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C12H16(18680)<=>C5H9L(57)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5874; RMG #515226 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C12H15(18406), C12H16(18680); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C12H15(18406)<=>C6H10R(90)+C12H16(18680) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #5875; RMG #515242 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C12H16(18680)<=>C6H11R(98)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5876; RMG #515450 -! Template reaction: H_Abstraction -! Flux pairs: C3H6(18), C3H5(102); C12H15(18406), C12H16(18680); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C12H15(18406)<=>C3H5(102)+C12H16(18680) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #5877; RMG #515510 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C12H16(18680)<=>C6H11L(63)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5878; RMG #515526 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C12H16(18680)<=>C6H11L(107)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5879; RMG #515802 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C12H16(18680)<=>C7H13R(62)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5880; RMG #515818 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C12H16(18680)<=>C7H13R(120)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5881; RMG #516212 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C12H15(18406), C12H16(18680); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C12H15(18406)<=>C6H9(113)+C12H16(18680) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #5882; RMG #516320 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(114)+C12H16(18680)<=>C6H10(116)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5883; RMG #517327 -! Template reaction: H_Abstraction -! Flux pairs: C3H4L(147), C3H5L(59); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C12H16(18680)<=>C3H5L(59)+C12H15(18406) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #5884; RMG #517405 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H9(160)+C12H16(18680)<=>C6H10(116)+C12H15(18406) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #5885; RMG #517605 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C12H15(18406), C12H16(18680); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C12H15(18406)<=>C6H10L(169)+C12H16(18680) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #5886; RMG #517621 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C12H15(18406), C12H16(18680); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C12H15(18406)<=>C6H10L(169)+C12H16(18680) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #5887; RMG #517697 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C12H16(18680)<=>C6H11R(17)+C12H15(18406) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #5888; RMG #517713 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C12H16(18680)<=>C6H11R(56)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5889; RMG #517827 -! Template reaction: H_Abstraction -! Flux pairs: C5H8(173), C5H7(174); C12H15(18406), C12H16(18680); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C12H15(18406)<=>C5H7(174)+C12H16(18680) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #5890; RMG #517891 -! Template reaction: H_Abstraction -! Flux pairs: C5H7(178), C5H8(180); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+C12H16(18680)<=>C5H8(180)+C12H15(18406) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #5891; RMG #518561 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H15(183), C10H14(184); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H15(183)+C12H15(18406)<=>C10H14(184)+C12H16(18680) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #5892; RMG #519133 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C12H15(18406)<=>C8H12(194)+C12H16(18680) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5893; RMG #519305 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C12H15(18406), C12H16(18680); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C12H15(18406)<=>C7H12R(199)+C12H16(18680) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #5894; RMG #519321 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C12H15(18406), C12H16(18680); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C12H15(18406)<=>C7H12R(199)+C12H16(18680) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #5895; RMG #519813 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C12H15(18406)<=>C10H12(201)+C12H16(18680) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5896; RMG #521129 -! Template reaction: H_Abstraction -! Flux pairs: C4H6R(224), C4H7R(60); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C12H16(18680)<=>C4H7R(60)+C12H15(18406) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #5897; RMG #521741 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C12H15(18406)<=>C10H13R(240)+C12H16(18680) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #5898; RMG #522247 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C11H15(18464), C11H14(246); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(18464)+C12H15(18406)<=>C11H14(246)+C12H16(18680) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #5899; RMG #523257 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18389), C12H16(18680); C12H15(18406), C12H14(257); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C12H15(18406)+C12H15(18389)<=>C12H14(257)+C12H16(18680) 1.225854e+27 -4.376 11.386 - -! Reaction index: Chemkin #5900; RMG #526197 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C11H15(256), C11H14(271); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(256)+C12H15(18406)<=>C11H14(271)+C12H16(18680) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #5901; RMG #526665 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C12H15(18406)<=>C9H12(272)+C12H16(18680) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #5902; RMG #528133 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H16(18680); C12H15(18406), C12H14(277); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C12H15(18406)+C12H15(22038)<=>C12H14(277)+C12H16(18680) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #5903; RMG #534761 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18680); C12H15(18406), C12H16(18380); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C12H15(18406)+C12H17(266)<=>C12H16(18380)+C12H16(18680) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #5904; RMG #536203 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C12H15(18406)<=>C10H13R(18283)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #5905; RMG #577173 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C11H17(238), C11H16(11281); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H17(238)+C12H15(18406)<=>C11H16(11281)+C12H16(18680) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #5906; RMG #577174 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C11H17(181), C11H16(11281); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H17(181)+C12H15(18406)<=>C11H16(11281)+C12H16(18680) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #5907; RMG #584438 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C12H15(18406)<=>C9H11L(18431)+C12H16(18680) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #5908; RMG #594566 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(18406)<=>C9H17LR(65)+C12H16(18680) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #5909; RMG #594567 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(18406)<=>C9H17LR(69)+C12H16(18680) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #5910; RMG #594568 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5911; RMG #594569 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5912; RMG #594570 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(18406)<=>C9H17LR(72)+C12H16(18680) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #5913; RMG #594571 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5914; RMG #594572 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5915; RMG #594573 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5916; RMG #594574 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C12H16(18680)<=>RC10L(1)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5917; RMG #594587 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C12H16(18680)<=>CC(C)L(13)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5918; RMG #594595 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C12H16(18680)<=>CCCC(C)L(16)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5919; RMG #594635 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C12H16(18680)<=>CC(C)CR(20)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5920; RMG #594657 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C12H16(18680)<=>CR(22)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5921; RMG #594669 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+C12H16(18680)<=>CC(C)CC(C)CR(23)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5922; RMG #594691 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C12H16(18680)<=>CC(C)CC(C)L(25)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5923; RMG #594696 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C12H16(18680)<=>CCL(26)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5924; RMG #594700 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C12H16(18680)<=>CCCR(27)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5925; RMG #594711 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C12H16(18680)<=>CCCC(C)CR(32)+C12H15(18406) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #5926; RMG #594794 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C12H15(18406)<=>CH3(74)+C12H16(18680) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #5927; RMG #594818 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C12H16(18680)<=>C3H5L(86)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #5928; RMG #594841 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C12H15(18406)<=>C[CH]C(94)+C12H16(18680) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #5929; RMG #594842 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C12H16(18680)<=>CCC(95)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #5930; RMG #594903 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C12H15(18406)<=>C6H7(123)+C12H16(18680) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #5931; RMG #594932 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C12H15(18406)<=>C6H7(123)+C12H16(18680) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #5932; RMG #594945 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C12H16(18680)<=>C4H8(157)+C12H15(18406) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #5933; RMG #594978 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C12H15(18406)<=>C5H5(189)+C12H16(18680) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #5934; RMG #143558 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C9H13(18194); C6H7(239), C9H13(18194); -! From training reaction 422 used for Cds-CsH_Cds-HH;CsJ-CdCsH -! Exact match found for rate rule [Cds-CsH_Cds-HH;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H6(18)+C6H7(239)<=>C9H13(18194) 1.850000e+03 2.410 13.160 - -! Reaction index: Chemkin #5935; RMG #322180 -! Library reaction: restart_edge -! Flux pairs: C9H13(18194), C9H13(312); -! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-3R!H-R_Ext-7R!H-R -C9H13(18194)<=>C9H13(312) 4.000000e+08 0.190 1.026 - -! Reaction index: Chemkin #5936; RMG #595029 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 92.9 to 94.2 kJ/mol to match endothermicity of reaction. -[H][H](83)+C12H15(18406)<=>H(82)+C12H16(18680) 4.580000e-02 4.340 22.508 - -! Reaction index: Chemkin #5937; RMG #545312 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C10H15(18437), C10H15(32871); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C10H15(18437)<=>C10H15(32871) 1.260000e+11 0.160 6.191 - -! Reaction index: Chemkin #5938; RMG #144451 -! Library reaction: restart_edge -! Flux pairs: C4H7(156), C10H14(18435); C6H7(239), C10H14(18435); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C6H7(239)<=>C10H14(18435) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #5939; RMG #148269 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18725); C6H9(161), C12H16(18725); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(161)<=>C12H16(18725) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #5940; RMG #82731 -! Library reaction: restart_edge -! Flux pairs: C5H7(174), C11H16(11277); C6H9(113), C11H16(11277); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H9(113)<=>C11H16(11277) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #5941; RMG #410420 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C11H16(11277), C11H17(10750); H(82), C11H17(10750); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C11H16(11277)<=>C11H17(10750) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #5942; RMG #605704 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(65)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5943; RMG #605712 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(69)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5944; RMG #605720 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(66)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5945; RMG #605728 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(68)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5946; RMG #605736 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(72)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5947; RMG #605744 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(73)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5948; RMG #605752 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(71)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5949; RMG #605760 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(67)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5950; RMG #605768 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H17LR(70)+C11H17(10750)<=>RC10L(1)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5951; RMG #605840 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C10H20R(64), RC10(2); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20R(64)+C11H17(10750)<=>RC10(2)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5952; RMG #605912 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C10H20L(76), LC10(3); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H20L(76)+C11H17(10750)<=>LC10(3)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5953; RMG #605920 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H17(10750)<=>C3H5R(12)+C11H16(11277) 1.225854e+27 -4.376 9.219 - -! Reaction index: Chemkin #5954; RMG #605972 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C11H17(10750)<=>CC(C)L(13)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5955; RMG #605996 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H17(10750)<=>CCCC(C)L(16)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5956; RMG #606028 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H17(10750)<=>C6H11R(17)+C11H16(11277) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5957; RMG #606088 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C11H17(10750)<=>C3H6(18)+C11H16(11277) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5958; RMG #606184 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C11H17(10750)<=>CC(C)CR(20)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5959; RMG #606276 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C11H17(10750)<=>CR(22)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5960; RMG #606324 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C11H17(10750)<=>CC(C)CC(C)CR(23)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5961; RMG #606340 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H17(10750)<=>C5H9L(24)+C11H16(11277) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5962; RMG #606416 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C11H17(10750)<=>CC(C)CC(C)L(25)+C11H16(11277) 1.225854e+27 -4.376 5.462 - -! Reaction index: Chemkin #5963; RMG #606440 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H17(10750)<=>CCL(26)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5964; RMG #606448 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H17(10750)<=>CCCR(27)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5965; RMG #606488 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H17(10750)<=>CCCC(C)CR(32)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #5966; RMG #606528 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C11H17(10750)<=>CC(L)CC(C)L(35)+C11H16(11277) 1.225854e+27 -4.376 6.429 - -! Reaction index: Chemkin #5967; RMG #606544 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H17(10750)<=>C6H11R(56)+C11H16(11277) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5968; RMG #606568 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C11H17(10750)<=>C6H11R(56)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5969; RMG #606612 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H17(10750)<=>C5H9L(57)+C11H16(11277) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5970; RMG #606628 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C11H17(10750)<=>C5H9L(57)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5971; RMG #606672 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C11H17(10750)<=>C3H5R(58)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5972; RMG #606716 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C11H17(10750)<=>C3H5L(59)+C11H16(11277) 2.451708e+27 -4.376 8.429 - -! Reaction index: Chemkin #5973; RMG #606752 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C11H17(10750)<=>C4H7R(60)+C11H16(11277) 2.451708e+27 -4.376 8.429 - -! Reaction index: Chemkin #5974; RMG #606760 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H17(10750)<=>C4H7R(60)+C11H16(11277) 1.225854e+27 -4.376 9.219 - -! Reaction index: Chemkin #5975; RMG #606796 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C11H17(10750)<=>C8H15L(61)+C11H16(11277) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5976; RMG #606888 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H17(10750)<=>C7H13R(62)+C11H16(11277) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5977; RMG #606956 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H17(10750)<=>C6H11L(63)+C11H16(11277) 1.225854e+27 -4.376 9.371 - -! Reaction index: Chemkin #5978; RMG #607008 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C11H17(10750)<=>C(75)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5979; RMG #607016 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C11H17(10750)<=>C4H7R(81)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5980; RMG #607052 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C11H17(10750)<=>[H][H](83)+C11H16(11277) 2.169000e+13 0.000 3.928 - -! Reaction index: Chemkin #5981; RMG #607060 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H17(10750)<=>C5H9L(84)+C11H16(11277) 1.225854e+27 -4.376 9.358 - -! Reaction index: Chemkin #5982; RMG #607112 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C11H17(10750)<=>C3H5L(86)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5983; RMG #607172 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C11H17(10750)<=>CC(C)CC(C)C(87)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5984; RMG #607252 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C11H17(10750)<=>CCC(95)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5985; RMG #607260 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C11H17(10750)<=>CCC(95)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5986; RMG #607268 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H17(10750)<=>C6H11R(98)+C11H16(11277) 1.225854e+27 -4.376 9.358 - -! Reaction index: Chemkin #5987; RMG #607400 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H17(10750)<=>C6H11L(107)+C11H16(11277) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5988; RMG #607416 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C11H17(10750)<=>C6H11L(107)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5989; RMG #607460 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C11H17(10750)<=>C6H10(110)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5990; RMG #607540 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C11H17(10750)<=>C6H10(116)+C11H16(11277) 2.451708e+27 -4.376 10.059 - -! Reaction index: Chemkin #5991; RMG #607548 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H17(10750)<=>C6H10(116)+C11H16(11277) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #5992; RMG #607592 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H17(10750)<=>C6H8(118)+C11H16(11277) 2.451708e+27 -4.376 9.335 - -! Reaction index: Chemkin #5993; RMG #607600 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(10750)<=>C6H8(118)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #5994; RMG #607672 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H17(10750)<=>C7H13R(120)+C11H16(11277) 1.225854e+27 -4.376 9.741 - -! Reaction index: Chemkin #5995; RMG #607696 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C11H17(10750)<=>C7H13R(120)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #5996; RMG #607732 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C11H17(10750)<=>C6H8(125)+C11H16(11277) 2.451708e+27 -4.376 9.433 - -! Reaction index: Chemkin #5997; RMG #607812 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C11H17(10750)<=>C4H8(157)+C11H16(11277) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5998; RMG #607892 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C11H17(10750)<=>C5H8(173)+C11H16(11277) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #5999; RMG #607980 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C11H17(10750)<=>C5H8(180)+C11H16(11277) 2.451708e+27 -4.376 10.059 - -! Reaction index: Chemkin #6000; RMG #608006 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C11H17(10750)<=>C5H6(187)+C11H16(11277) 6.129270e+27 -4.376 9.315 - -! Reaction index: Chemkin #6001; RMG #608220 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H17(10750)<=>C6H9R(285)+C11H16(11277) 1.225854e+27 -4.376 10.743 - -! Reaction index: Chemkin #6002; RMG #608300 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(10750)<=>C6H8(290)+C11H16(11277) 1.225854e+27 -4.376 11.722 - -! Reaction index: Chemkin #6003; RMG #608372 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C11H17(10750)<=>C6H11L(325)+C11H16(11277) 1.225854e+27 -4.376 9.790 - -! Reaction index: Chemkin #6004; RMG #608424 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C11H17(10750)<=>C7H13R(330)+C11H16(11277) 1.225854e+27 -4.376 9.790 - -! Reaction index: Chemkin #6005; RMG #608492 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C11H17(10750)<=>CC(C)C(29484)+C11H16(11277) 1.500000e+11 0.000 0.000 - -! Reaction index: Chemkin #6006; RMG #608817 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H17(10750)<=>C8H17L(49)+C11H16(11277) 1.225854e+27 -4.376 6.007 - -! Reaction index: Chemkin #6007; RMG #609443 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C11H17(10750)<=>C6H8(18175)+C11H16(11277) 1.225854e+27 -4.376 13.118 - -! Reaction index: Chemkin #6008; RMG #82735 -! Library reaction: restart_edge -! Flux pairs: C5H7(174), C11H16(11279); C6H9(113), C11H16(11279); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H9(113)<=>C11H16(11279) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #6009; RMG #143920 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(58), C9H12R(18225); C6H7(239), C9H12R(18225); -! Estimated using template [Cds-CsH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CsH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5R(58)+C6H7(239)<=>C9H12R(18225) 2.382500e+02 2.700 11.200 - -! Reaction index: Chemkin #6010; RMG #470171 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(65)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.377 - -! Reaction index: Chemkin #6011; RMG #470177 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(69)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.377 - -! Reaction index: Chemkin #6012; RMG #470183 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(66)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6013; RMG #470189 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(68)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6014; RMG #470195 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(72)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.377 - -! Reaction index: Chemkin #6015; RMG #470201 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(73)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6016; RMG #470207 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(71)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6017; RMG #470213 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(67)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6018; RMG #470219 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C9H17LR(70)<=>C9H11R(18275)+RC10L(1) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6019; RMG #470273 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C10H20R(64)<=>C9H11R(18275)+RC10(2) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6020; RMG #470327 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C10H20L(76)<=>C9H11R(18275)+LC10(3) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6021; RMG #470333 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H12R(18225)<=>C3H5R(12)+C9H11R(18275) 1.225854e+27 -4.376 6.614 - -! Reaction index: Chemkin #6022; RMG #470373 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C9H12R(18225)<=>CC(C)L(13)+C9H11R(18275) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6023; RMG #470391 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C9H12R(18225)<=>CCCC(C)L(16)+C9H11R(18275) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6024; RMG #470415 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H12R(18225)<=>C6H11R(17)+C9H11R(18275) 1.225854e+27 -4.376 6.739 - -! Reaction index: Chemkin #6025; RMG #470461 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C9H12R(18225)<=>C3H6(18)+C9H11R(18275) 2.451708e+27 -4.376 5.999 - -! Reaction index: Chemkin #6026; RMG #470535 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C9H12R(18225)<=>CC(C)CR(20)+C9H11R(18275) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6027; RMG #470605 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C9H12R(18225)<=>CR(22)+C9H11R(18275) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6028; RMG #470641 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H14R(9)+C9H12R(18225)<=>CC(C)CC(C)CR(23)+C9H11R(18275) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6029; RMG #470653 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H12R(18225)<=>C5H9L(24)+C9H11R(18275) 1.225854e+27 -4.376 6.739 - -! Reaction index: Chemkin #6030; RMG #470711 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H12L(11)+C9H12R(18225)<=>CC(C)CC(C)L(25)+C9H11R(18275) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6031; RMG #470729 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C9H12R(18225)<=>CCL(26)+C9H11R(18275) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6032; RMG #470735 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C9H12R(18225)<=>CCCR(27)+C9H11R(18275) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6033; RMG #470789 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C9H12R(18225)<=>CCCC(C)CR(32)+C9H11R(18275) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6034; RMG #470879 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C9H12R(18225)<=>CC(L)CC(C)L(35)+C9H11R(18275) 1.225854e+27 -4.376 4.377 - -! Reaction index: Chemkin #6035; RMG #471083 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C9H12R(18225)<=>C8H17L(49)+C9H11R(18275) 1.225854e+27 -4.376 4.046 - -! Reaction index: Chemkin #6036; RMG #471143 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H12R(18225)<=>C6H11R(56)+C9H11R(18275) 1.225854e+27 -4.376 7.041 - -! Reaction index: Chemkin #6037; RMG #471161 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C9H12R(18225)<=>C6H11R(56)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6038; RMG #471195 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H12R(18225)<=>C5H9L(57)+C9H11R(18275) 1.225854e+27 -4.376 7.041 - -! Reaction index: Chemkin #6039; RMG #471207 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C9H12R(18225)<=>C5H9L(57)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6040; RMG #471241 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C9H12R(18225)<=>C3H5R(58)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6041; RMG #471275 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C9H12R(18225)<=>C3H5L(59)+C9H11R(18275) 2.451708e+27 -4.376 5.973 - -! Reaction index: Chemkin #6042; RMG #471303 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C9H12R(18225)<=>C4H7R(60)+C9H11R(18275) 2.451708e+27 -4.376 5.973 - -! Reaction index: Chemkin #6043; RMG #471309 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H12R(18225)<=>C4H7R(60)+C9H11R(18275) 1.225854e+27 -4.376 6.614 - -! Reaction index: Chemkin #6044; RMG #471337 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H14L(112)+C9H12R(18225)<=>C8H15L(61)+C9H11R(18275) 1.225854e+27 -4.376 7.041 - -! Reaction index: Chemkin #6045; RMG #471407 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H12R(18225)<=>C7H13R(62)+C9H11R(18275) 1.225854e+27 -4.376 6.739 - -! Reaction index: Chemkin #6046; RMG #471459 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H12R(18225)<=>C6H11L(63)+C9H11R(18275) 1.225854e+27 -4.376 6.739 - -! Reaction index: Chemkin #6047; RMG #471499 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C9H12R(18225)<=>C(75)+C9H11R(18275) 1.225854e+27 -4.376 3.037 - -! Reaction index: Chemkin #6048; RMG #471533 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C9H12R(18225)<=>C4H7R(81)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6049; RMG #471561 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C9H12R(18225)<=>[H][H](83)+C9H11R(18275) 1.225854e+27 -4.376 3.160 - -! Reaction index: Chemkin #6050; RMG #471567 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C9H12R(18225)<=>C5H9L(84)+C9H11R(18275) 1.225854e+27 -4.376 6.727 - -! Reaction index: Chemkin #6051; RMG #471607 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C9H12R(18225)<=>C3H5L(86)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6052; RMG #471653 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H15(85)+C9H12R(18225)<=>CC(C)CC(C)C(87)+C9H11R(18275) 1.225854e+27 -4.376 3.621 - -! Reaction index: Chemkin #6053; RMG #471715 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C9H12R(18225)<=>CCC(95)+C9H11R(18275) 1.225854e+27 -4.376 4.029 - -! Reaction index: Chemkin #6054; RMG #471721 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C9H12R(18225)<=>CCC(95)+C9H11R(18275) 1.225854e+27 -4.376 3.548 - -! Reaction index: Chemkin #6055; RMG #471727 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H12R(18225)<=>C6H11R(98)+C9H11R(18275) 1.225854e+27 -4.376 6.727 - -! Reaction index: Chemkin #6056; RMG #471897 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H12R(18225)<=>C6H11L(107)+C9H11R(18275) 1.225854e+27 -4.376 7.041 - -! Reaction index: Chemkin #6057; RMG #471909 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C9H12R(18225)<=>C6H11L(107)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6058; RMG #471943 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C9H12R(18225)<=>C6H10(110)+C9H11R(18275) 1.225854e+27 -4.376 7.951 - -! Reaction index: Chemkin #6059; RMG #472073 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C9H12R(18225)<=>C6H10(116)+C9H11R(18275) 2.451708e+27 -4.376 7.301 - -! Reaction index: Chemkin #6060; RMG #472079 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C9H12R(18225)<=>C6H10(116)+C9H11R(18275) 1.225854e+27 -4.376 7.301 - -! Reaction index: Chemkin #6061; RMG #472113 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H12R(18225)<=>C6H8(118)+C9H11R(18275) 2.451708e+27 -4.376 6.709 - -! Reaction index: Chemkin #6062; RMG #472119 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H12R(18225)<=>C6H8(118)+C9H11R(18275) 1.225854e+27 -4.376 7.863 - -! Reaction index: Chemkin #6063; RMG #472175 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H12R(18225)<=>C7H13R(120)+C9H11R(18275) 1.225854e+27 -4.376 7.041 - -! Reaction index: Chemkin #6064; RMG #472193 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(108)+C9H12R(18225)<=>C7H13R(120)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6065; RMG #472221 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C9H12R(18225)<=>C6H8(125)+C9H11R(18275) 2.451708e+27 -4.376 6.789 - -! Reaction index: Chemkin #6066; RMG #472283 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C9H12R(18225)<=>C4H8(157)+C9H11R(18275) 2.451708e+27 -4.376 5.692 - -! Reaction index: Chemkin #6067; RMG #472379 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C9H12R(18225)<=>C5H8(173)+C9H11R(18275) 2.451708e+27 -4.376 7.863 - -! Reaction index: Chemkin #6068; RMG #472447 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C9H12R(18225)<=>C5H8(180)+C9H11R(18275) 2.451708e+27 -4.376 7.301 - -! Reaction index: Chemkin #6069; RMG #472467 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C9H12R(18225)<=>C5H6(187)+C9H11R(18275) 6.129270e+27 -4.376 6.693 - -! Reaction index: Chemkin #6070; RMG #472793 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H12R(18225)<=>C6H9R(285)+C9H11R(18275) 1.225854e+27 -4.376 7.863 - -! Reaction index: Chemkin #6071; RMG #472925 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H12R(18225)<=>C6H8(290)+C9H11R(18275) 1.225854e+27 -4.376 8.674 - -! Reaction index: Chemkin #6072; RMG #472981 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(169)+C9H12R(18225)<=>C6H11L(325)+C9H11R(18275) 1.225854e+27 -4.376 7.080 - -! Reaction index: Chemkin #6073; RMG #473021 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C7H12R(199)+C9H12R(18225)<=>C7H13R(330)+C9H11R(18275) 1.225854e+27 -4.376 7.080 - -! Reaction index: Chemkin #6074; RMG #473169 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C9H12R(18225)<=>CC(C)C(29484)+C9H11R(18275) 1.225854e+27 -4.376 3.500 - -! Reaction index: Chemkin #6075; RMG #473367 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C9H12R(18225)<=>C6H8(18175)+C9H11R(18275) 1.225854e+27 -4.376 9.839 - -! Reaction index: Chemkin #6076; RMG #480896 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C10H13(202)<=>C9H11R(18275)+C10H14(179) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #6077; RMG #484717 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C11H15(234)<=>C9H11R(18275)+C11H16(229) 1.225854e+27 -4.376 7.301 - -! Reaction index: Chemkin #6078; RMG #487725 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C12H15(323)<=>C9H11R(18275)+C12H16(269) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #6079; RMG #535697 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C12H15(18406)<=>C9H11R(18275)+C12H16(18680) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #6080; RMG #612296 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C9H11R(18275), C9H12R(18225); H(82), C9H12R(18225); -! From training reaction 9 used for Cds-HH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C9H11R(18275)<=>C9H12R(18225) 3.360000e+08 1.560 0.600 - -! Reaction index: Chemkin #6081; RMG #612293 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C9H12R(18225), C9H12R(34500); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R_Ext-8R!H-R_Sp-9R!H-8R!H -C9H12R(18225)<=>C9H12R(34500) 9.450000e+10 0.290 6.187 - -! Reaction index: Chemkin #6082; RMG #144450 -! Library reaction: restart_edge -! Flux pairs: C4H7(156), C10H14(18434); C6H7(239), C10H14(18434); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C6H7(239)<=>C10H14(18434) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #6083; RMG #620269 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C11H17(10750), C11H16(11277); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H17(10750)+C12H15(18406)<=>C11H16(11277)+C12H16(18680) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6084; RMG #184248 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H7L(262), C10H14L(20637); C5H7(174), C10H14L(20637); -! From training reaction 277 used for Cds-HH_Cds-CdH;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CdH;CsJ-CdHH] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: R_Addition_MultipleBond -C5H7L(262)+C5H7(174)<=>C10H14L(20637) 4.980000e+04 2.410 8.810 - -! Reaction index: Chemkin #6085; RMG #144073 -! Library reaction: restart_edge -! Flux pairs: C4H6R(79), C10H13R(18278); C6H7(239), C10H13R(18278); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C4H6R(79)+C6H7(239)<=>C10H13R(18278) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #6086; RMG #577428 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C10H13R(18278), C10H14R(18285); H(82), C10H14R(18285); -! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C10H13R(18278)<=>C10H14R(18285) 1.691000e+10 1.168 2.996 - -! Reaction index: Chemkin #6087; RMG #620808 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(65)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.530 - -! Reaction index: Chemkin #6088; RMG #620814 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(69)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.530 - -! Reaction index: Chemkin #6089; RMG #620820 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(66)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6090; RMG #620826 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(68)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6091; RMG #620832 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(72)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.530 - -! Reaction index: Chemkin #6092; RMG #620838 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(73)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6093; RMG #620844 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(71)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6094; RMG #620850 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(67)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6095; RMG #620856 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(70)+C10H14R(18285)<=>RC10L(1)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6096; RMG #620910 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C10H20R(64)<=>C10H13R(18278)+RC10(2) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6097; RMG #620964 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C10H20L(76)<=>C10H13R(18278)+LC10(3) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6098; RMG #620970 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4R(78)+C10H14R(18285)<=>C3H5R(12)+C10H13R(18278) 2.451708e+27 -4.376 6.812 - -! Reaction index: Chemkin #6099; RMG #621010 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)L(4)+C10H14R(18285)<=>CC(C)L(13)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6100; RMG #621028 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)L(7)+C10H14R(18285)<=>CCCC(C)L(16)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6101; RMG #621052 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(171)+C10H14R(18285)<=>C6H11R(17)+C10H13R(18278) 2.451708e+27 -4.376 6.938 - -! Reaction index: Chemkin #6102; RMG #621098 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C3H5(102)+C10H14R(18285)<=>C3H6(18)+C10H13R(18278) 4.903416e+27 -4.376 6.184 - -! Reaction index: Chemkin #6103; RMG #621172 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)CR(6)+C10H14R(18285)<=>CC(C)CR(20)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6104; RMG #621242 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]R(14)+C10H14R(18285)<=>CR(22)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6105; RMG #621278 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H14R(9)+C10H14R(18285)<=>CC(C)CC(C)CR(23)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6106; RMG #621290 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(89)+C10H14R(18285)<=>C5H9L(24)+C10H13R(18278) 2.451708e+27 -4.376 6.938 - -! Reaction index: Chemkin #6107; RMG #621348 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H12L(11)+C10H14R(18285)<=>CC(C)CC(C)L(25)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6108; RMG #621366 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C10H14R(18285)<=>CCL(26)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6109; RMG #621372 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C10H14R(18285)<=>CCCR(27)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6110; RMG #621402 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)CR(5)+C10H14R(18285)<=>CCCC(C)CR(32)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6111; RMG #621426 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(90)+C10H14R(18285)<=>C6H11R(56)+C10H13R(18278) 2.451708e+27 -4.376 7.246 - -! Reaction index: Chemkin #6112; RMG #621444 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(171)+C10H14R(18285)<=>C6H11R(56)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6113; RMG #621478 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C10H14R(18285)<=>C5H9L(57)+C10H13R(18278) 2.451708e+27 -4.376 7.246 - -! Reaction index: Chemkin #6114; RMG #621490 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(89)+C10H14R(18285)<=>C5H9L(57)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6115; RMG #621524 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4R(78)+C10H14R(18285)<=>C3H5R(58)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6116; RMG #621558 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C3H4L(147)+C10H14R(18285)<=>C3H5L(59)+C10H13R(18278) 4.903416e+27 -4.376 6.159 - -! Reaction index: Chemkin #6117; RMG #621586 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C4H6R(224)+C10H14R(18285)<=>C4H7R(60)+C10H13R(18278) 4.903416e+27 -4.376 6.159 - -! Reaction index: Chemkin #6118; RMG #621592 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(79)+C10H14R(18285)<=>C4H7R(60)+C10H13R(18278) 2.451708e+27 -4.376 6.812 - -! Reaction index: Chemkin #6119; RMG #621620 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C8H14L(112)+C10H14R(18285)<=>C8H15L(61)+C10H13R(18278) 2.451708e+27 -4.376 7.246 - -! Reaction index: Chemkin #6120; RMG #621690 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(108)+C10H14R(18285)<=>C7H13R(62)+C10H13R(18278) 2.451708e+27 -4.376 6.938 - -! Reaction index: Chemkin #6121; RMG #621742 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(103)+C10H14R(18285)<=>C6H11L(63)+C10H13R(18278) 2.451708e+27 -4.376 6.938 - -! Reaction index: Chemkin #6122; RMG #621782 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -CH3(74)+C10H14R(18285)<=>C(75)+C10H13R(18278) 2.451708e+27 -4.376 3.159 - -! Reaction index: Chemkin #6123; RMG #621788 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(79)+C10H14R(18285)<=>C4H7R(81)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6124; RMG #621816 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -H(82)+C10H14R(18285)<=>[H][H](83)+C10H13R(18278) 2.451708e+27 -4.376 3.285 - -! Reaction index: Chemkin #6125; RMG #621822 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C10H14R(18285)<=>C5H9L(84)+C10H13R(18278) 2.451708e+27 -4.376 6.927 - -! Reaction index: Chemkin #6126; RMG #621862 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(90)+C10H14R(18285)<=>C6H11R(98)+C10H13R(18278) 2.451708e+27 -4.376 6.927 - -! Reaction index: Chemkin #6127; RMG #621908 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(169)+C10H14R(18285)<=>C6H11L(107)+C10H13R(18278) 2.451708e+27 -4.376 7.246 - -! Reaction index: Chemkin #6128; RMG #621920 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(103)+C10H14R(18285)<=>C6H11L(107)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6129; RMG #621954 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(113)+C10H14R(18285)<=>C6H10(110)+C10H13R(18278) 2.451708e+27 -4.376 8.172 - -! Reaction index: Chemkin #6130; RMG #622010 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(199)+C10H14R(18285)<=>C7H13R(120)+C10H13R(18278) 2.451708e+27 -4.376 7.246 - -! Reaction index: Chemkin #6131; RMG #622028 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(108)+C10H14R(18285)<=>C7H13R(120)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6132; RMG #622242 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H9L2(203)+C10H14R(18285)<=>CC(L)CC(C)L(35)+C10H13R(18278) 2.451708e+27 -4.376 4.530 - -! Reaction index: Chemkin #6133; RMG #622548 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C8H16L(15)+C10H14R(18285)<=>C8H17L(49)+C10H13R(18278) 2.451708e+27 -4.376 4.192 - -! Reaction index: Chemkin #6134; RMG #622608 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(219)+C10H14R(18285)<=>C3H5L(86)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6135; RMG #622654 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H15(85)+C10H14R(18285)<=>CC(C)CC(C)C(87)+C10H13R(18278) 2.451708e+27 -4.376 3.757 - -! Reaction index: Chemkin #6136; RMG #622716 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C10H14R(18285)<=>CCC(95)+C10H13R(18278) 2.451708e+27 -4.376 4.174 - -! Reaction index: Chemkin #6137; RMG #622722 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]CC(195)+C10H14R(18285)<=>CCC(95)+C10H13R(18278) 2.451708e+27 -4.376 3.682 - -! Reaction index: Chemkin #6138; RMG #623018 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H9(160)+C10H14R(18285)<=>C6H10(116)+C10H13R(18278) 4.903416e+27 -4.376 7.511 - -! Reaction index: Chemkin #6139; RMG #623024 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(114)+C10H14R(18285)<=>C6H10(116)+C10H13R(18278) 2.451708e+27 -4.376 7.511 - -! Reaction index: Chemkin #6140; RMG #623104 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H7(123)+C10H14R(18285)<=>C6H8(118)+C10H13R(18278) 4.903416e+27 -4.376 6.908 - -! Reaction index: Chemkin #6141; RMG #623110 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(239)+C10H14R(18285)<=>C6H8(118)+C10H13R(18278) 2.451708e+27 -4.376 8.083 - -! Reaction index: Chemkin #6142; RMG #623166 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H7(123)+C10H14R(18285)<=>C6H8(125)+C10H13R(18278) 4.903416e+27 -4.376 6.989 - -! Reaction index: Chemkin #6143; RMG #623296 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C4H7(156)+C10H14R(18285)<=>C4H8(157)+C10H13R(18278) 4.903416e+27 -4.376 5.872 - -! Reaction index: Chemkin #6144; RMG #623392 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C5H7(174)+C10H14R(18285)<=>C5H8(173)+C10H13R(18278) 4.903416e+27 -4.376 8.083 - -! Reaction index: Chemkin #6145; RMG #623460 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C5H7(178)+C10H14R(18285)<=>C5H8(180)+C10H13R(18278) 4.903416e+27 -4.376 7.511 - -! Reaction index: Chemkin #6146; RMG #623480 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 30.0 -C5H5(189)+C10H14R(18285)<=>C5H6(187)+C10H13R(18278) 1.225854e+28 -4.376 6.892 - -! Reaction index: Chemkin #6147; RMG #623888 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H8R(287)+C10H14R(18285)<=>C6H9R(285)+C10H13R(18278) 2.451708e+27 -4.376 8.083 - -! Reaction index: Chemkin #6148; RMG #623950 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(239)+C10H14R(18285)<=>C6H8(290)+C10H13R(18278) 2.451708e+27 -4.376 8.907 - -! Reaction index: Chemkin #6149; RMG #624006 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(169)+C10H14R(18285)<=>C6H11L(325)+C10H13R(18278) 2.451708e+27 -4.376 7.286 - -! Reaction index: Chemkin #6150; RMG #624046 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(199)+C10H14R(18285)<=>C7H13R(330)+C10H13R(18278) 2.451708e+27 -4.376 7.286 - -! Reaction index: Chemkin #6151; RMG #624098 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)C(399)+C10H14R(18285)<=>CC(C)C(29484)+C10H13R(18278) 2.451708e+27 -4.376 3.633 - -! Reaction index: Chemkin #6152; RMG #624200 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(239)+C10H14R(18285)<=>C6H8(18175)+C10H13R(18278) 2.451708e+27 -4.376 10.091 - -! Reaction index: Chemkin #6153; RMG #624918 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H14(179); C10H13(202), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H13(202)+C10H14R(18285)<=>C10H13R(18278)+C10H14(179) 2.451708e+27 -4.376 7.571 - -! Reaction index: Chemkin #6154; RMG #625418 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C11H15(234)<=>C10H13R(18278)+C11H16(229) 2.451708e+27 -4.376 7.511 - -! Reaction index: Chemkin #6155; RMG #627156 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C12H15(18406)<=>C10H13R(18278)+C12H16(18680) 2.451708e+27 -4.376 7.571 - -! Reaction index: Chemkin #6156; RMG #148512 -! Library reaction: restart_edge -! Flux pairs: C5H7(178), C11H14(18772); C6H7(239), C11H14(18772); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C6H7(239)<=>C11H14(18772) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #6157; RMG #549616 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C11H13(18468)<=>C9H17LR(65)+C11H14(18772) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #6158; RMG #549617 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C11H13(18468)<=>C9H17LR(69)+C11H14(18772) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #6159; RMG #549618 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6160; RMG #549619 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6161; RMG #549620 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C11H13(18468)<=>C9H17LR(72)+C11H14(18772) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #6162; RMG #549621 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6163; RMG #549622 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6164; RMG #549623 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6165; RMG #549624 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C11H14(18772)<=>RC10L(1)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6166; RMG #549630 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C11H14(18772)<=>C3H5R(12)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6167; RMG #549638 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C11H14(18772)<=>CC(C)L(13)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6168; RMG #549644 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C11H13(18468)<=>C3H5(102)+C11H14(18772) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6169; RMG #549662 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C11H14(18772)<=>CC(C)CR(20)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6170; RMG #549664 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C11H14(18772)<=>CR(22)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6171; RMG #549673 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C11H14(18772)<=>C5H9L(24)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6172; RMG #549687 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C11H14(18772)<=>CC(C)CC(C)L(25)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6173; RMG #549692 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C11H14(18772)<=>CCL(26)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6174; RMG #549696 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C11H14(18772)<=>CCCR(27)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6175; RMG #550259 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C6H11R(56), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C11H13(18468)<=>C6H10R(90)+C11H14(18772) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6176; RMG #550262 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C11H14(18772)<=>C6H11R(56)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6177; RMG #550274 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C11H13(18468)<=>C5H8L(77)+C11H14(18772) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6178; RMG #550276 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C11H14(18772)<=>C5H9L(57)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6179; RMG #550286 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C11H14(18772)<=>C3H5R(58)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6180; RMG #550295 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C11H14(18772)<=>C3H5L(59)+C11H13(18468) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6181; RMG #550304 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C11H14(18772)<=>C4H7R(60)+C11H13(18468) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6182; RMG #550305 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C11H14(18772)<=>C4H7R(60)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6183; RMG #550318 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C7H12R(108), C7H13R(62); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C11H14(18772)<=>C7H13R(62)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6184; RMG #550333 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H10L(103), C6H11L(63); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C11H14(18772)<=>C6H11L(63)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6185; RMG #550340 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C11H13(18468)<=>CH3(74)+C11H14(18772) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #6186; RMG #550345 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C11H14(18772)<=>C4H7R(81)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6187; RMG #550355 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C11H14(18772)<=>C5H9L(84)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6188; RMG #550379 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C11H13(18468)<=>C[CH]C(94)+C11H14(18772) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #6189; RMG #550380 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C11H14(18772)<=>CCC(95)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6190; RMG #550388 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H10R(90), C6H11R(98); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C11H14(18772)<=>C6H11R(98)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6191; RMG #550417 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C6H11L(107), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C11H13(18468)<=>C6H10L(169)+C11H14(18772) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6192; RMG #550419 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C11H14(18772)<=>C6H11L(107)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6193; RMG #550607 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H9(160), C6H10(116); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H9(160)+C11H14(18772)<=>C6H10(116)+C11H13(18468) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #6194; RMG #550608 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H9(114), C6H10(116); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(114)+C11H14(18772)<=>C6H10(116)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6195; RMG #550718 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C11H13(18468)<=>C6H7(123)+C11H14(18772) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #6196; RMG #550719 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C11H13(18468)<=>C6H7(239)+C11H14(18772) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6197; RMG #550736 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C11H13(18468)<=>C6H7(123)+C11H14(18772) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #6198; RMG #550825 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C11H14(18772)<=>C4H8(157)+C11H13(18468) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6199; RMG #550974 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C5H7(178), C5H8(180); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+C11H14(18772)<=>C5H8(180)+C11H13(18468) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #6200; RMG #551032 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C11H13(18468)<=>C5H5(189)+C11H14(18772) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #6201; RMG #556456 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C11H14(18772)<=>C3H5L(86)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6202; RMG #556806 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C7H13R(120), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C11H13(18468)<=>C7H12R(199)+C11H14(18772) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6203; RMG #556809 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C7H12R(108), C7H13R(120); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C11H14(18772)<=>C7H13R(120)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6204; RMG #561389 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C11H13(18468)<=>C5H7(174)+C11H14(18772) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6205; RMG #564924 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C6H11L(325), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C11H13(18468)<=>C6H10L(169)+C11H14(18772) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6206; RMG #564949 -! Template reaction: H_Abstraction -! Flux pairs: C11H13(18468), C11H14(18772); C7H13R(330), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C11H13(18468)<=>C7H12R(199)+C11H14(18772) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6207; RMG #572658 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C11H14(18772)<=>CCCC(C)L(16)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6208; RMG #585222 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C11H14(18772)<=>CCCC(C)CR(32)+C11H13(18468) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6209; RMG #588108 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+C11H14(18772)<=>CC(C)CC(C)CR(23)+C11H13(18468) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6210; RMG #629357 -! Template reaction: R_Recombination -! Flux pairs: C11H13(18468), C11H14(18772); H(82), C11H14(18772); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C11H13(18468)<=>C11H14(18772) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #6211; RMG #629567 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C11H13(18468)<=>C3H5R(12)+C11H14(18772) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #6212; RMG #629633 -! Template reaction: H_Abstraction -! Flux pairs: C11H14(18772), C11H13(18468); C6H10R(171), C6H11R(17); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C11H14(18772)<=>C6H11R(17)+C11H13(18468) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6213; RMG #629689 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C11H13(18468)<=>C6H11R(17)+C11H14(18772) 1.225854e+27 -4.376 7.493 - -! Reaction index: Chemkin #6214; RMG #629717 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C11H13(18468)<=>C3H6(18)+C11H14(18772) 2.105300e+14 -0.550 0.172 - -! Reaction index: Chemkin #6215; RMG #629727 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C11H13(18468)<=>C3H6(18)+C11H14(18772) 2.451708e+27 -4.376 7.580 - -! Reaction index: Chemkin #6216; RMG #629757 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C11H13(18468)<=>C2H3L(19)+C11H14(18772) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #6217; RMG #629865 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C11H13(18468)<=>C8H15L(21)+C11H14(18772) 1.225854e+27 -4.376 7.493 - -! Reaction index: Chemkin #6218; RMG #629960 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C11H13(18468)<=>C5H9L(24)+C11H14(18772) 1.225854e+27 -4.376 7.493 - -! Reaction index: Chemkin #6219; RMG #631525 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C11H13(18468)<=>C6H11R(56)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6220; RMG #631589 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C11H13(18468)<=>C5H9L(57)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6221; RMG #631652 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C11H13(18468)<=>C3H5R(58)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6222; RMG #631682 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C11H13(18468)<=>C3H5L(59)+C11H14(18772) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #6223; RMG #631730 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C11H13(18468)<=>C4H7R(60)+C11H14(18772) 5.258140e+13 -0.550 0.119 - -! Reaction index: Chemkin #6224; RMG #631798 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C11H13(18468)<=>C8H15L(61)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6225; RMG #631870 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C11H13(18468)<=>C7H13R(62)+C11H14(18772) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6226; RMG #631934 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C11H13(18468)<=>C6H11L(63)+C11H14(18772) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6227; RMG #633044 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C11H13(18468), C11H14(18772); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C11H13(18468)<=>C6H9(113)+C11H14(18772) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6228; RMG #633361 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H13(18468)<=>C6H8(118)+C11H14(18772) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6229; RMG #633481 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C11H13(18468)<=>C6H8(125)+C11H14(18772) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6230; RMG #633491 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C11H13(18468)<=>C6H8(125)+C11H14(18772) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #6231; RMG #633702 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C11H13(18468)<=>C4H8(157)+C11H14(18772) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6232; RMG #634125 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C10H13(202), C10H14(179); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H13(202)+C11H17(10750)<=>C10H14(179)+C11H16(11277) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6233; RMG #634635 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H15(183), C10H14(184); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H15(183)+C11H13(18468)<=>C10H14(184)+C11H14(18772) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6234; RMG #634773 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C11H13(18468)<=>C5H6(187)+C11H14(18772) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #6235; RMG #635005 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C11H13(18468)<=>C8H12(194)+C11H14(18772) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #6236; RMG #635269 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C11H13(18468)<=>C10H12(201)+C11H14(18772) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6237; RMG #636000 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C11H15(234), C11H16(229); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(234)+C11H17(10750)<=>C11H16(229)+C11H16(11277) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #6238; RMG #636247 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C11H13(18468), C11H14(18772); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C11H13(18468)<=>C6H7(239)+C11H14(18772) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #6239; RMG #636263 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C11H13(18468), C11H14(18772); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C11H13(18468)<=>C6H7(239)+C11H14(18772) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6240; RMG #636491 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C11H13(18468)<=>C10H13R(240)+C11H14(18772) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #6241; RMG #636765 -! Template reaction: Disproportionation -! Flux pairs: C11H15(18464), C11H14(246); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C11H15(18464)<=>C11H14(18772)+C11H14(246) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6242; RMG #636927 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C11H13(18468)<=>C6H6(252)+C11H14(18772) 1.350000e+03 2.700 0.437 - -! Reaction index: Chemkin #6243; RMG #636947 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C11H13(18468)<=>C6H6(252)+C11H14(18772) 1.225854e+27 -4.376 11.468 - -! Reaction index: Chemkin #6244; RMG #637343 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18389), C12H14(257); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C12H15(18389)<=>C11H14(18772)+C12H14(257) 1.225854e+27 -4.376 11.386 - -! Reaction index: Chemkin #6245; RMG #637773 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C11H13(18468)<=>C5H7L(262)+C11H14(18772) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #6246; RMG #637803 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C11H13(18468)<=>C5H7L(262)+C11H14(18772) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6247; RMG #638525 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C12H15(323)<=>C10H13R(18278)+C12H16(269) 2.451708e+27 -4.376 7.571 - -! Reaction index: Chemkin #6248; RMG #639255 -! Template reaction: Disproportionation -! Flux pairs: C11H15(256), C11H14(271); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C11H15(256)<=>C11H14(18772)+C11H14(271) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6249; RMG #639363 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C11H13(18468)<=>C9H12(272)+C11H14(18772) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #6250; RMG #639973 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C11H13(298)<=>C10H13R(18278)+C11H14(276) 2.451708e+27 -4.376 7.571 - -! Reaction index: Chemkin #6251; RMG #640301 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H14(277); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C11H13(18468)+C12H15(22038)<=>C11H14(18772)+C12H14(277) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6252; RMG #640720 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C11H13(18468)<=>C6H9R(285)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6253; RMG #640730 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(285), C6H8R(287); C11H13(18468), C11H14(18772); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C11H13(18468)<=>C6H8R(287)+C11H14(18772) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6254; RMG #640870 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C11H13(18468)<=>C6H8(290)+C11H14(18772) 1.225854e+27 -4.376 11.307 - -! Reaction index: Chemkin #6255; RMG #643666 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18680), C12H15(18406); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C12H16(18680)<=>CC(C)C(29484)+C12H15(18406) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6256; RMG #644368 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C11H13(18468)<=>C9H12(18323)+C11H14(18772) 1.225854e+27 -4.376 7.689 - -! Reaction index: Chemkin #6257; RMG #644748 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C12H17(266)<=>C11H14(18772)+C12H16(18380) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6258; RMG #645680 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C11H13(18468)<=>C9H11R(18275)+C11H14(18772) 1.225854e+27 -4.376 7.361 - -! Reaction index: Chemkin #6259; RMG #646134 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C11H13(18468)<=>C10H13R(18283)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6260; RMG #647834 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C11H17(238)<=>C11H14(18772)+C11H16(11281) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6261; RMG #647844 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C11H17(181)<=>C11H14(18772)+C11H16(11281) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6262; RMG #648186 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C11H13(18468)<=>C9H11L(18431)+C11H14(18772) 1.225854e+27 -4.376 7.503 - -! Reaction index: Chemkin #6263; RMG #648660 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C11H13(18468), C11H14(18772); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H13(18468)+C11H17(10750)<=>C11H14(18772)+C11H16(11277) 1.225854e+27 -4.376 10.132 - -! Reaction index: Chemkin #6264; RMG #648876 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C11H13(18468)<=>C10H13R(18278)+C11H14(18772) 2.451708e+27 -4.376 7.571 - -! Reaction index: Chemkin #6265; RMG #144496 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C5H8(173), C11H15(18454); C6H7(239), C11H15(18454); -! Estimated using template [Cds-CsH_Cds-CdH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CdH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C5H8(173)+C6H7(239)<=>C11H15(18454) 1.190000e+04 2.410 10.290 - -! Reaction index: Chemkin #6266; RMG #22703 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H10R(90); C6H9R(1802), C6H10R(90); -! From training reaction 2544 used for Cds-HH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-HH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H9R(1802)<=>C6H10R(90) 2.310000e+08 1.640 -0.470 - -! Reaction index: Chemkin #6267; RMG #23209 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10R(90)<=>C5H9L(57)+C6H9R(1802) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #6268; RMG #23216 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H10R(90)<=>C5H9L(84)+C6H9R(1802) 1.225850e+27 -4.376 9.545 - -! Reaction index: Chemkin #6269; RMG #23222 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C6H10R(90)<=>C3H5R(12)+C6H9R(1802) 1.225850e+27 -4.376 9.405 - -! Reaction index: Chemkin #6270; RMG #23228 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4R(78)+C6H10R(90)<=>C3H5R(58)+C6H9R(1802) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #6271; RMG #23233 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C6H10R(90)<=>C4H7R(60)+C6H9R(1802) 1.225850e+27 -4.376 9.405 - -! Reaction index: Chemkin #6272; RMG #23238 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6R(79)+C6H10R(90)<=>C4H7R(81)+C6H9R(1802) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #6273; RMG #23272 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C6H10R(90)<=>C5H9L(24)+C6H9R(1802) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #6274; RMG #23278 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(89)+C6H10R(90)<=>C5H9L(57)+C6H9R(1802) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #6275; RMG #23283 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C6H10R(90)<=>C6H9R(1802)+C6H11R(56) 1.225850e+27 -4.376 9.934 - -! Reaction index: Chemkin #6276; RMG #23287 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11R(98); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C6H10R(90)<=>C6H9R(1802)+C6H11R(98) 1.225850e+27 -4.376 9.545 - -! Reaction index: Chemkin #6277; RMG #29566 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H5(102)+C6H10R(90)<=>C3H6(18)+C6H9R(1802) 2.451710e+27 -4.376 8.636 - -! Reaction index: Chemkin #6278; RMG #30166 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11L(63); C6H10L(103), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C6H10R(90)<=>C6H9R(1802)+C6H11L(63) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #6279; RMG #30168 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11L(107); C6H10L(103), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10L(103)+C6H10R(90)<=>C6H9R(1802)+C6H11L(107) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #6280; RMG #36169 -! Library reaction: restart_edge -! Flux pairs: C7H12R(108), C7H13R(62); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C7H12R(108)<=>C6H9R(1802)+C7H13R(62) 1.225850e+27 -4.376 9.560 - -! Reaction index: Chemkin #6281; RMG #36171 -! Library reaction: restart_edge -! Flux pairs: C7H12R(108), C7H13R(120); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C7H12R(108)<=>C6H9R(1802)+C7H13R(120) 1.225850e+27 -4.376 8.605 - -! Reaction index: Chemkin #6282; RMG #42735 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H10(110); C6H9(113), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(113)+C6H10R(90)<=>C6H9R(1802)+C6H10(110) 1.225850e+27 -4.376 11.055 - -! Reaction index: Chemkin #6283; RMG #42752 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H10(116); C6H9(114), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C6H10R(90)<=>C6H9R(1802)+C6H10(116) 1.225850e+27 -4.376 10.255 - -! Reaction index: Chemkin #6284; RMG #72144 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(147)+C6H10R(90)<=>C3H5L(59)+C6H9R(1802) 2.451710e+27 -4.376 8.605 - -! Reaction index: Chemkin #6285; RMG #72149 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H7(156)+C6H10R(90)<=>C4H8(157)+C6H9R(1802) 2.451710e+27 -4.376 8.251 - -! Reaction index: Chemkin #6286; RMG #77546 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H10R(171); C6H9R(1802), C6H10R(171); -! From training reaction 2570 used for Cds-CsCs_Cds-CdH;HJ -! Exact match found for rate rule [Cds-CsCs_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H9R(1802)<=>C6H10R(171) 7.170000e+07 1.640 1.180 - -! Reaction index: Chemkin #6287; RMG #82625 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(174)+C6H10R(90)<=>C5H8(173)+C6H9R(1802) 2.451710e+27 -4.376 10.947 - -! Reaction index: Chemkin #6288; RMG #83350 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H7(178)+C6H10R(90)<=>C5H8(180)+C6H9R(1802) 2.451710e+27 -4.376 10.255 - -! Reaction index: Chemkin #6289; RMG #144140 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H10R(90)<=>C6H8(118)+C6H9R(1802) 1.225850e+27 -4.376 10.947 - -! Reaction index: Chemkin #6290; RMG #144143 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H10R(90)<=>C6H8(18175)+C6H9R(1802) 1.225850e+27 -4.376 13.349 - -! Reaction index: Chemkin #6291; RMG #144145 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(239)+C6H10R(90)<=>C6H8(290)+C6H9R(1802) 1.225850e+27 -4.376 11.938 - -! Reaction index: Chemkin #6292; RMG #271934 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(65); C6H8R(287), C6H9R(1802); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+RC10L(1)<=>C6H9R(1802)+C9H17LR(65) 6.950000e-03 4.340 19.090 - -! Reaction index: Chemkin #6293; RMG #271935 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(69); C6H8R(287), C6H9R(1802); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+RC10L(1)<=>C6H9R(1802)+C9H17LR(69) 6.950000e-03 4.340 19.090 - -! Reaction index: Chemkin #6294; RMG #271936 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(66), RC10L(1); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C9H17LR(66)<=>C6H8R(287)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6295; RMG #271937 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(68), RC10L(1); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C9H17LR(68)<=>C6H8R(287)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6296; RMG #271938 -! Template reaction: H_Abstraction -! Flux pairs: RC10L(1), C9H17LR(72); C6H8R(287), C6H9R(1802); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+RC10L(1)<=>C6H9R(1802)+C9H17LR(72) 6.950000e-03 4.340 19.090 - -! Reaction index: Chemkin #6297; RMG #271939 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(73), RC10L(1); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C9H17LR(73)<=>C6H8R(287)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6298; RMG #271940 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(71), RC10L(1); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C9H17LR(71)<=>C6H8R(287)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6299; RMG #271941 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(67), RC10L(1); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C9H17LR(67)<=>C6H8R(287)+RC10L(1) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6300; RMG #271942 -! Template reaction: H_Abstraction -! Flux pairs: C9H17LR(70), RC10L(1); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C9H17LR(70)<=>C6H8R(287)+RC10L(1) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6301; RMG #271968 -! Template reaction: H_Abstraction -! Flux pairs: C10H20R(64), RC10(2); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C10H20R(64)<=>C6H8R(287)+RC10(2) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6302; RMG #271994 -! Template reaction: H_Abstraction -! Flux pairs: C10H20L(76), LC10(3); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C10H20L(76)<=>C6H8R(287)+LC10(3) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6303; RMG #272004 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H9R(1802)<=>C3H5R(12)+C6H8R(287) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6304; RMG #272013 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C6H9R(1802)<=>CC(C)L(13)+C6H8R(287) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6305; RMG #272035 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C6H9R(1802)<=>CCCC(C)L(16)+C6H8R(287) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6306; RMG #272054 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(17); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H10R(171)<=>C6H8R(287)+C6H11R(17) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6307; RMG #272080 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C6H8R(287)<=>C3H5(102)+C6H9R(1802) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6308; RMG #272104 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C6H9R(1802)<=>CC(C)CR(20)+C6H8R(287) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6309; RMG #272136 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C6H9R(1802)<=>CR(22)+C6H8R(287) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6310; RMG #272153 -! Template reaction: H_Abstraction -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C7H14R(9)<=>C6H8R(287)+CC(C)CC(C)CR(23) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6311; RMG #272168 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H9R(1802)<=>C5H9L(24)+C6H8R(287) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6312; RMG #272186 -! Template reaction: H_Abstraction -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H12L(11)<=>C6H8R(287)+CC(C)CC(C)L(25) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6313; RMG #272192 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C6H9R(1802)<=>CCL(26)+C6H8R(287) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6314; RMG #272198 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C6H9R(1802)<=>CCCR(27)+C6H8R(287) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6315; RMG #272358 -! Template reaction: H_Abstraction -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C[CH]CC(C)CR(5)<=>C6H8R(287)+CCCC(C)CR(32) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6316; RMG #272404 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C6H8R(287)<=>C5H9L2(203)+C6H9R(1802) 1.390000e-02 4.340 19.090 - -! Reaction index: Chemkin #6317; RMG #272800 -! Template reaction: H_Abstraction -! Flux pairs: C8H16L(15), C8H17L(49); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C8H16L(15)<=>C6H8R(287)+C8H17L(49) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6318; RMG #272836 -! Template reaction: H_Abstraction -! Flux pairs: C6H11R(56), C6H10R(90); C6H8R(287), C6H9R(1802); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C6H11R(56)<=>C6H9R(1802)+C6H10R(90) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6319; RMG #272839 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(171), C6H11R(56); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H10R(171)<=>C6H8R(287)+C6H11R(56) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6320; RMG #272856 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C6H8R(287)<=>C5H8L(77)+C6H9R(1802) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6321; RMG #272858 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C6H9R(1802)<=>C5H9L(57)+C6H8R(287) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6322; RMG #272872 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C6H9R(1802)<=>C3H5R(58)+C6H8R(287) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6323; RMG #272883 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C6H9R(1802)<=>C3H5L(59)+C6H8R(287) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6324; RMG #272894 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C6H9R(1802)<=>C4H7R(60)+C6H8R(287) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6325; RMG #272895 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H9R(1802)<=>C4H7R(60)+C6H8R(287) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6326; RMG #272918 -! Template reaction: H_Abstraction -! Flux pairs: C8H15L(61), C8H14L(112); C6H8R(287), C6H9R(1802); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C8H15L(61)<=>C6H9R(1802)+C8H14L(112) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6327; RMG #272944 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(62); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C7H12R(108)<=>C6H8R(287)+C7H13R(62) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6328; RMG #272965 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(63); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H10L(103)<=>C6H8R(287)+C6H11L(63) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6329; RMG #272972 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C6H8R(287)<=>CH3(74)+C6H9R(1802) 4.240000e-02 4.340 27.670 - -! Reaction index: Chemkin #6330; RMG #272988 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C6H9R(1802)<=>C4H7R(81)+C6H8R(287) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6331; RMG #272993 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 112.1 to 113.1 kJ/mol to match endothermicity of reaction. -! Ea raised from 113.1 to 113.1 kJ/mol to match endothermicity of reaction. -[H][H](83)+C6H8R(287)<=>H(82)+C6H9R(1802) 4.580000e-02 4.340 27.040 - -! Reaction index: Chemkin #6332; RMG #273005 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C6H9R(1802)<=>C5H9L(84)+C6H8R(287) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6333; RMG #273020 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C6H9R(1802)<=>C3H5L(86)+C6H8R(287) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6334; RMG #273038 -! Template reaction: H_Abstraction -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C7H15(85)<=>C6H8R(287)+CC(C)CC(C)C(87) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6335; RMG #273064 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C6H8R(287)<=>C[CH]C(94)+C6H9R(1802) 1.476000e-02 4.340 21.145 - -! Reaction index: Chemkin #6336; RMG #273065 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C6H9R(1802)<=>CCC(95)+C6H8R(287) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6337; RMG #273079 -! Template reaction: H_Abstraction -! Flux pairs: C6H10R(90), C6H11R(98); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H10R(90)<=>C6H8R(287)+C6H11R(98) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6338; RMG #273149 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(107), C6H10L(169); C6H8R(287), C6H9R(1802); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C6H11L(107)<=>C6H9R(1802)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6339; RMG #273151 -! Template reaction: H_Abstraction -! Flux pairs: C6H10L(103), C6H11L(107); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H10L(103)<=>C6H8R(287)+C6H11L(107) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6340; RMG #273173 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(113), C6H10(110); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H9(113)<=>C6H8R(287)+C6H10(110) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6341; RMG #273233 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H9R(1802); C6H8R(287), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C6H9(114)<=>C6H8(125)+C6H9R(1802) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6342; RMG #273234 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H9R(1802); C6H8R(287), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C6H9(114)<=>C6H8(290)+C6H9R(1802) 1.225850e+27 -4.376 12.818 - -! Reaction index: Chemkin #6343; RMG #273241 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H9R(1802); C6H8R(287), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C6H9(114)<=>C6H8(118)+C6H9R(1802) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6344; RMG #273298 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(160), C6H10(116); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H9R(1802)+C6H9(160)<=>C6H8R(287)+C6H10(116) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #6345; RMG #273299 -! Template reaction: H_Abstraction -! Flux pairs: C6H9(114), C6H10(116); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C6H9(114)<=>C6H8R(287)+C6H10(116) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6346; RMG #273387 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C6H8R(287)<=>C6H7(123)+C6H9R(1802) 1.962000e-03 4.340 7.430 - -! Reaction index: Chemkin #6347; RMG #273388 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C6H7(239), C6H8(118); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H7(239)+C6H9R(1802)<=>C6H8(118)+C6H8R(287) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6348; RMG #273408 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(120), C7H12R(199); C6H8R(287), C6H9R(1802); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C7H13R(120)<=>C6H9R(1802)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6349; RMG #273411 -! Template reaction: H_Abstraction -! Flux pairs: C7H12R(108), C7H13R(120); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C7H12R(108)<=>C6H8R(287)+C7H13R(120) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6350; RMG #273432 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C6H8R(287)<=>C6H7(123)+C6H9R(1802) 1.962000e-03 4.340 7.080 - -! Reaction index: Chemkin #6351; RMG #273505 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C6H9R(1802)<=>C4H8(157)+C6H8R(287) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6352; RMG #273513 -! Library reaction: restart_edge -! Flux pairs: C6H9(160), C6H9R(1802); C6H8R(287), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H8R(287)+C6H9(160)<=>C6H8(125)+C6H9R(1802) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6353; RMG #273562 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C5H7(174), C5H8(173); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(174)+C6H9R(1802)<=>C5H8(173)+C6H8R(287) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6354; RMG #273588 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H8R(287)<=>C5H6(187)+C6H9R(1802) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6355; RMG #273625 -! Template reaction: H_Abstraction -! Flux pairs: C10H13(202), C10H14(179); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C10H13(202)<=>C6H8R(287)+C10H14(179) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6356; RMG #273646 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C5H7(178), C5H8(180); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H7(178)+C6H9R(1802)<=>C5H8(180)+C6H8R(287) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #6357; RMG #273679 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C6H8R(287)<=>C5H5(189)+C6H9R(1802) 1.962000e-03 4.340 7.502 - -! Reaction index: Chemkin #6358; RMG #274050 -! Template reaction: H_Abstraction -! Flux pairs: C11H15(234), C11H16(229); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C11H15(234)<=>C6H8R(287)+C11H16(229) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6359; RMG #274070 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H8R(287)<=>C6H6(252)+C6H9R(1802) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6360; RMG #274695 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H9R(285); C6H8R(287), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8R(287)+C6H9R(1802)<=>C6H8R(287)+C6H9R(285) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6361; RMG #279699 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C6H8R(287)<=>C6H7(239)+C6H9R(1802) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6362; RMG #285386 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H8R(287)<=>C2H3L(19)+C6H9R(1802) 1.225850e+27 -4.376 8.888 - -! Reaction index: Chemkin #6363; RMG #285472 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C6H8R(287)<=>C5H7L(262)+C6H9R(1802) 1.225850e+27 -4.376 11.760 - -! Reaction index: Chemkin #6364; RMG #285503 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(285); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C6H10R(90)<=>C6H9R(1802)+C6H9R(285) 1.547940e+12 0.025 0.000 -DUPLICATE - -! Reaction index: Chemkin #6365; RMG #285507 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(285); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C6H10R(90)<=>C6H9R(1802)+C6H9R(285) 1.225850e+27 -4.376 10.947 -DUPLICATE - -! Reaction index: Chemkin #6366; RMG #285511 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H9R(1802); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C6H10R(90)<=>C6H9R(1802)+C6H9R(1802) 1.225850e+27 -4.376 11.760 - -! Reaction index: Chemkin #6367; RMG #295164 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H8R(287)<=>C3H5R(58)+C6H9R(1802) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6368; RMG #295165 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H8R(287)<=>C3H5R(12)+C6H9R(1802) 1.225850e+27 -4.376 8.888 - -! Reaction index: Chemkin #6369; RMG #350005 -! Template reaction: H_Abstraction -! Flux pairs: C6H11L(325), C6H10L(169); C6H8R(287), C6H9R(1802); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C6H11L(325)<=>C6H9R(1802)+C6H10L(169) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6370; RMG #371328 -! Template reaction: H_Abstraction -! Flux pairs: C7H13R(330), C7H12R(199); C6H8R(287), C6H9R(1802); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H8R(287)+C7H13R(330)<=>C6H9R(1802)+C7H12R(199) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6371; RMG #393269 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C6H8R(287)<=>C3H6(18)+C6H9R(1802) 2.451710e+27 -4.376 8.769 - -! Reaction index: Chemkin #6372; RMG #393325 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C6H8R(287)<=>C6H6(252)+C6H9R(1802) 1.225850e+27 -4.376 12.991 - -! Reaction index: Chemkin #6373; RMG #408626 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H7(239)+C6H10R(171)<=>C6H8(118)+C6H9R(1802) 7.830000e+11 0.000 1.042 - -! Reaction index: Chemkin #6374; RMG #408630 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H7(239)+C6H10R(171)<=>C6H8(18175)+C6H9R(1802) 5.258140e+13 -0.550 2.163 - -! Reaction index: Chemkin #6375; RMG #408633 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H7(239)+C6H10R(171)<=>C6H8(290)+C6H9R(1802) 5.258140e+13 -0.550 1.466 - -! Reaction index: Chemkin #6376; RMG #409808 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C6H9R(1802)<=>CC(C)C(29484)+C6H8R(287) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6377; RMG #468439 -! Template reaction: H_Abstraction -! Flux pairs: C6H8R(287), C6H9R(1802); C6H8(18175), C6H7(239); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C6H8R(287)<=>C6H7(239)+C6H9R(1802) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #6378; RMG #509806 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C12H15(18406), C12H16(18680); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C12H15(18406)<=>C6H8R(287)+C12H16(18680) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6379; RMG #640762 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C11H13(18468), C11H14(18772); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C11H13(18468)<=>C6H8R(287)+C11H14(18772) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6380; RMG #648986 -! Template reaction: R_Recombination -! Flux pairs: C6H8R(287), C6H9R(1802); H(82), C6H9R(1802); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C6H8R(287)<=>C6H9R(1802) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #6381; RMG #648991 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C9H17LR(65)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6382; RMG #648994 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(65)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #6383; RMG #648995 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C9H17LR(69)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6384; RMG #648998 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(69)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #6385; RMG #648999 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C9H17LR(66)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6386; RMG #649002 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(66)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6387; RMG #649003 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C9H17LR(68)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6388; RMG #649006 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(68)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6389; RMG #649007 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C9H17LR(72)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6390; RMG #649010 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(72)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #6391; RMG #649011 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C9H17LR(73)<=>C6H9R(1802)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6392; RMG #649014 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(73)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6393; RMG #649015 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C9H17LR(71)<=>C6H9R(1802)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6394; RMG #649018 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(71)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6395; RMG #649019 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C9H17LR(67)<=>C6H9R(1802)+RC10L(1) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6396; RMG #649022 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(67)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6397; RMG #649023 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C9H17LR(70)<=>C6H9R(1802)+RC10L(1) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6398; RMG #649026 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C9H17LR(70)<=>C6H9R(1802)+RC10L(1) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6399; RMG #649059 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C10H20R(64)<=>C6H9R(1802)+RC10(2) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6400; RMG #649062 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H20R(64)<=>C6H9R(1802)+RC10(2) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6401; RMG #649095 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C10H20L(76)<=>C6H9R(1802)+LC10(3) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6402; RMG #649098 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H20L(76)<=>C6H9R(1802)+LC10(3) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6403; RMG #649099 -! Template reaction: Disproportionation -! Flux pairs: C3H4R(78), C6H9R(1802); C6H10R(171), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C3H4R(78)+C6H10R(171)<=>C3H5R(12)+C6H9R(1802) 5.258140e+13 -0.550 0.505 - -! Reaction index: Chemkin #6404; RMG #649123 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C6H10R(171)<=>CC(C)L(13)+C6H9R(1802) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6405; RMG #649126 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)L(4)+C6H10R(90)<=>CC(C)L(13)+C6H9R(1802) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6406; RMG #649135 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CC(C)L(7)+C6H10R(171)<=>CCCC(C)L(16)+C6H9R(1802) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6407; RMG #649138 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H10R(90)<=>CCCC(C)L(16)+C6H9R(1802) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6408; RMG #649151 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11R(17); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C6H10R(171)<=>C6H9R(1802)+C6H11R(17) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #6409; RMG #649154 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H11R(17); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(17) 1.225854e+27 -4.376 9.560 - -! Reaction index: Chemkin #6410; RMG #649177 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+C6H11R(17) 1.225854e+27 -4.376 8.674 - -! Reaction index: Chemkin #6411; RMG #649181 -! Template reaction: Disproportionation -! Flux pairs: C3H5(102), C6H9R(1802); C6H10R(171), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H5(102)+C6H10R(171)<=>C3H6(18)+C6H9R(1802) 1.566000e+12 0.000 0.301 - -! Reaction index: Chemkin #6412; RMG #649193 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H8R(287)<=>C3H6(18)+C6H9R(1802) 2.105300e+14 -0.550 0.461 - -! Reaction index: Chemkin #6413; RMG #649226 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)CR(6)+C6H10R(171)<=>CC(C)CR(20)+C6H9R(1802) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6414; RMG #649229 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)CR(6)+C6H10R(90)<=>CC(C)CR(20)+C6H9R(1802) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6415; RMG #649268 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(21); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C8H16L(15)<=>C6H9R(1802)+C8H15L(21) 1.225854e+27 -4.376 8.674 - -! Reaction index: Chemkin #6416; RMG #649272 -! Template reaction: Disproportionation -! Flux pairs: [CH2]R(14), CR(22); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]R(14)+C6H10R(171)<=>CR(22)+C6H9R(1802) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6417; RMG #649275 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]R(14)+C6H10R(90)<=>CR(22)+C6H9R(1802) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6418; RMG #649296 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C7H14R(9)<=>C6H9R(1802)+CC(C)CC(C)CR(23) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6419; RMG #649299 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C7H14R(9)<=>C6H9R(1802)+CC(C)CC(C)CR(23) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6420; RMG #649304 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H10R(171)<=>C5H9L(24)+C6H9R(1802) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #6421; RMG #649325 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(24)+C6H9R(1802) 1.225854e+27 -4.376 8.674 - -! Reaction index: Chemkin #6422; RMG #649341 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C6H12L(11)<=>C6H9R(1802)+CC(C)CC(C)L(25) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6423; RMG #649344 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C6H12L(11)<=>C6H9R(1802)+CC(C)CC(C)L(25) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6424; RMG #649353 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]L(8)+C6H10R(171)<=>CCL(26)+C6H9R(1802) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6425; RMG #649356 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C6H10R(90)<=>CCL(26)+C6H9R(1802) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6426; RMG #649357 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CR(10), CCCR(27); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]CR(10)+C6H10R(171)<=>CCCR(27)+C6H9R(1802) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6427; RMG #649360 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C6H10R(90)<=>CCCR(27)+C6H9R(1802) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6428; RMG #649497 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+CCCC(C)CR(32) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6429; RMG #649500 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+CCCC(C)CR(32) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6430; RMG #649557 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H9L2(203)+C6H10R(171)<=>CC(L)CC(C)L(35)+C6H9R(1802) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6431; RMG #649560 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H9L2(203)+C6H10R(90)<=>CC(L)CC(C)L(35)+C6H9R(1802) 1.225854e+27 -4.376 6.578 - -! Reaction index: Chemkin #6432; RMG #649889 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H17L(49); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C8H16L(15)<=>C6H9R(1802)+C8H17L(49) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6433; RMG #649892 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H17L(49); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C8H16L(15)<=>C6H9R(1802)+C8H17L(49) 1.225854e+27 -4.376 6.150 - -! Reaction index: Chemkin #6434; RMG #649929 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(56) 5.258140e+13 -0.550 0.671 -DUPLICATE - -! Reaction index: Chemkin #6435; RMG #649940 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11R(56); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C6H10R(171)<=>C6H9R(1802)+C6H11R(56) 1.566000e+12 0.000 0.294 - -! Reaction index: Chemkin #6436; RMG #649943 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H11R(56); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(56) 1.225854e+27 -4.376 8.605 -DUPLICATE - -! Reaction index: Chemkin #6437; RMG #649953 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C[CH]CC(C)CR(5)<=>C6H9R(1802)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6438; RMG #649962 -! Template reaction: Disproportionation -! Flux pairs: C5H8L(77), C6H9R(1802); C6H10R(171), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(77)+C6H10R(171)<=>C5H9L(57)+C6H9R(1802) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #6439; RMG #649969 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C5H8L(89)+C6H10R(171)<=>C5H9L(57)+C6H9R(1802) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6440; RMG #649981 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H8R(287)<=>C5H9L(57)+C6H9R(1802) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6441; RMG #649990 -! Template reaction: Disproportionation -! Flux pairs: C3H4R(78), C6H9R(1802); C6H10R(171), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4R(78)+C6H10R(171)<=>C3H5R(58)+C6H9R(1802) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6442; RMG #650010 -! Template reaction: Disproportionation -! Flux pairs: C3H4L(147), C6H9R(1802); C6H10R(171), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C3H4L(147)+C6H10R(171)<=>C3H5L(59)+C6H9R(1802) 1.566000e+12 0.000 0.294 - -! Reaction index: Chemkin #6443; RMG #650018 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C6H8R(287)<=>C3H5L(59)+C6H9R(1802) 5.258140e+13 -0.550 0.368 - -! Reaction index: Chemkin #6444; RMG #650027 -! Template reaction: Disproportionation -! Flux pairs: C4H6R(224), C6H9R(1802); C6H10R(171), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+C6H10R(171)<=>C4H7R(60)+C6H9R(1802) 1.566000e+12 0.000 0.294 - -! Reaction index: Chemkin #6445; RMG #650030 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(224)+C6H10R(90)<=>C4H7R(60)+C6H9R(1802) 2.451708e+27 -4.376 8.605 - -! Reaction index: Chemkin #6446; RMG #650031 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C4H6R(79)+C6H10R(171)<=>C4H7R(60)+C6H9R(1802) 5.258140e+13 -0.550 0.505 - -! Reaction index: Chemkin #6447; RMG #650039 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C6H8R(287)<=>C4H7R(60)+C6H9R(1802) 5.258140e+13 -0.550 0.368 - -! Reaction index: Chemkin #6448; RMG #650048 -! Template reaction: Disproportionation -! Flux pairs: C8H14L(112), C6H9R(1802); C6H10R(171), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C8H14L(112)<=>C6H9R(1802)+C8H15L(61) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #6449; RMG #650051 -! Template reaction: Disproportionation -! Flux pairs: C8H14L(112), C8H15L(61); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C8H14L(112)<=>C6H9R(1802)+C8H15L(61) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #6450; RMG #650081 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(61); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C8H16L(15)<=>C6H9R(1802)+C8H15L(61) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6451; RMG #650094 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(108), C7H13R(62); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C7H12R(108)<=>C6H9R(1802)+C7H13R(62) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #6452; RMG #650114 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), C7H13R(62); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H8R(287)+C7H14R(9)<=>C6H9R(1802)+C7H13R(62) 5.258140e+13 -0.550 0.314 - -! Reaction index: Chemkin #6453; RMG #650127 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11L(63); C6H10L(103), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10L(103)+C6H10R(171)<=>C6H9R(1802)+C6H11L(63) 5.258140e+13 -0.550 0.551 - -! Reaction index: Chemkin #6454; RMG #650143 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), C6H11L(63); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H8R(287)+C6H12L(11)<=>C6H9R(1802)+C6H11L(63) 5.258140e+13 -0.550 0.314 - -! Reaction index: Chemkin #6455; RMG #650152 -! Template reaction: Disproportionation -! Flux pairs: CH3(74), C(75); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -CH3(74)+C6H10R(171)<=>C(75)+C6H9R(1802) 3.543620e+12 -0.187 0.000 - -! Reaction index: Chemkin #6456; RMG #650155 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -CH3(74)+C6H10R(90)<=>C(75)+C6H9R(1802) 1.225854e+27 -4.376 4.826 - -! Reaction index: Chemkin #6457; RMG #650172 -! Template reaction: Disproportionation -! Flux pairs: C4H6R(79), C6H9R(1802); C6H10R(171), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6R(79)+C6H10R(171)<=>C4H7R(81)+C6H9R(1802) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6458; RMG #650189 -! Template reaction: Disproportionation -! Flux pairs: H(82), [H][H](83); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -H(82)+C6H10R(171)<=>[H][H](83)+C6H9R(1802) 9.040000e+11 0.000 0.000 - -! Reaction index: Chemkin #6459; RMG #650192 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -H(82)+C6H10R(90)<=>[H][H](83)+C6H9R(1802) 1.225854e+27 -4.376 4.989 - -! Reaction index: Chemkin #6460; RMG #650193 -! Template reaction: Disproportionation -! Flux pairs: C5H8L(77), C6H9R(1802); C6H10R(171), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(77)+C6H10R(171)<=>C5H9L(84)+C6H9R(1802) 5.258140e+13 -0.550 0.547 - -! Reaction index: Chemkin #6461; RMG #650218 -! Template reaction: Disproportionation -! Flux pairs: C3H4L(219), C6H9R(1802); C6H10R(171), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C3H4L(219)+C6H10R(171)<=>C3H5L(86)+C6H9R(1802) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6462; RMG #650221 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C3H4L(219)+C6H10R(90)<=>C3H5L(86)+C6H9R(1802) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #6463; RMG #650248 -! Template reaction: Disproportionation -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C7H15(85)<=>C6H9R(1802)+CC(C)CC(C)C(87) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6464; RMG #650251 -! Template reaction: Disproportionation -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C7H15(85)<=>C6H9R(1802)+CC(C)CC(C)C(87) 1.225854e+27 -4.376 5.597 - -! Reaction index: Chemkin #6465; RMG #650304 -! Template reaction: Disproportionation -! Flux pairs: C[CH]C(94), CCC(95); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C[CH]C(94)+C6H10R(171)<=>CCC(95)+C6H9R(1802) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #6466; RMG #650307 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]C(94)+C6H10R(90)<=>CCC(95)+C6H9R(1802) 1.225854e+27 -4.376 6.128 - -! Reaction index: Chemkin #6467; RMG #650308 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]CC(195)+C6H10R(171)<=>CCC(95)+C6H9R(1802) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6468; RMG #650311 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]CC(195)+C6H10R(90)<=>CCC(95)+C6H9R(1802) 1.225854e+27 -4.376 5.501 - -! Reaction index: Chemkin #6469; RMG #650312 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C6H10R(171), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C6H10R(90)<=>C6H9R(1802)+C6H11R(98) 5.258140e+13 -0.550 0.547 - -! Reaction index: Chemkin #6470; RMG #650421 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H9R(1802); C6H10R(171), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C6H10L(169)<=>C6H9R(1802)+C6H11L(107) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #6471; RMG #650424 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H11L(107); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C6H10L(169)<=>C6H9R(1802)+C6H11L(107) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #6472; RMG #650429 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11L(107); C6H10L(103), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10L(103)+C6H10R(171)<=>C6H9R(1802)+C6H11L(107) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6473; RMG #650450 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H10(110); C6H9(113), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H9(113)+C6H10R(171)<=>C6H9R(1802)+C6H10(110) 7.830000e+11 0.000 1.085 - -! Reaction index: Chemkin #6474; RMG #650593 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H10(116); C6H9(160), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H9(160)+C6H10R(171)<=>C6H9R(1802)+C6H10(116) 1.051628e+14 -0.550 0.781 - -! Reaction index: Chemkin #6475; RMG #650596 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H10(116); C6H9(160), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(160)+C6H10R(90)<=>C6H9R(1802)+C6H10(116) 2.451708e+27 -4.376 10.255 - -! Reaction index: Chemkin #6476; RMG #650597 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H10(116); C6H9(114), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H9(114)+C6H10R(171)<=>C6H9R(1802)+C6H10(116) 5.258140e+13 -0.550 0.781 - -! Reaction index: Chemkin #6477; RMG #650648 -! Template reaction: Disproportionation -! Flux pairs: C6H7(123), C6H9R(1802); C6H10R(171), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(123)+C6H10R(171)<=>C6H8(118)+C6H9R(1802) 1.051628e+14 -0.550 0.540 - -! Reaction index: Chemkin #6478; RMG #650651 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C6H10R(90)<=>C6H8(118)+C6H9R(1802) 2.451708e+27 -4.376 9.523 - -! Reaction index: Chemkin #6479; RMG #650685 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C6H9R(1802); C6H10R(171), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C7H12R(199)<=>C6H9R(1802)+C7H13R(120) 5.258140e+13 -0.550 0.671 - -! Reaction index: Chemkin #6480; RMG #650688 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C7H13R(120); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C7H12R(199)<=>C6H9R(1802)+C7H13R(120) 1.225854e+27 -4.376 9.934 - -! Reaction index: Chemkin #6481; RMG #650697 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(108), C7H13R(120); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H10R(171)+C7H12R(108)<=>C6H9R(1802)+C7H13R(120) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6482; RMG #650714 -! Template reaction: Disproportionation -! Flux pairs: C6H7(123), C6H9R(1802); C6H10R(171), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(123)+C6H10R(171)<=>C6H8(125)+C6H9R(1802) 1.051628e+14 -0.550 0.571 - -! Reaction index: Chemkin #6483; RMG #650717 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(123)+C6H10R(90)<=>C6H8(125)+C6H9R(1802) 2.451708e+27 -4.376 9.622 - -! Reaction index: Chemkin #6484; RMG #650796 -! Template reaction: Disproportionation -! Flux pairs: C4H7(156), C6H9R(1802); C6H10R(171), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C6H10R(171)<=>C4H8(157)+C6H9R(1802) 1.566000e+12 0.000 0.217 - -! Reaction index: Chemkin #6485; RMG #650804 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C6H8R(287)<=>C4H8(157)+C6H9R(1802) 5.258140e+13 -0.550 0.304 - -! Reaction index: Chemkin #6486; RMG #650857 -! Template reaction: Disproportionation -! Flux pairs: C5H7(174), C6H9R(1802); C6H10R(171), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(174)+C6H10R(171)<=>C5H8(173)+C6H9R(1802) 1.566000e+12 0.000 1.042 - -! Reaction index: Chemkin #6487; RMG #650900 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 2.0 -C5H7(178)+C6H10R(171)<=>C5H8(180)+C6H9R(1802) 1.051628e+14 -0.550 0.781 - -! Reaction index: Chemkin #6488; RMG #650912 -! Template reaction: Disproportionation -! Flux pairs: C5H5(189), C6H9R(1802); C6H10R(171), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -! Multiplied by reaction path degeneracy 5.0 -C5H5(189)+C6H10R(171)<=>C5H6(187)+C6H9R(1802) 2.629070e+14 -0.550 0.534 - -! Reaction index: Chemkin #6489; RMG #650915 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 15.0 -C5H5(189)+C6H10R(90)<=>C5H6(187)+C6H9R(1802) 6.129270e+27 -4.376 9.503 - -! Reaction index: Chemkin #6490; RMG #651087 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C6H8R(287)<=>C5H7L(262)+C6H9R(1802) 5.258140e+13 -0.550 1.386 - -! Reaction index: Chemkin #6491; RMG #651109 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(285); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C6H8R(287)+C6H10R(171)<=>C6H9R(1802)+C6H9R(285) 7.830000e+11 0.000 1.042 - -! Reaction index: Chemkin #6492; RMG #651180 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H9R(1802); C6H10R(171), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C6H10L(169)<=>C6H9R(1802)+C6H11L(325) 5.258140e+13 -0.550 0.687 - -! Reaction index: Chemkin #6493; RMG #651183 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H11L(325); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C6H10L(169)<=>C6H9R(1802)+C6H11L(325) 1.225854e+27 -4.376 9.983 - -! Reaction index: Chemkin #6494; RMG #651206 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C6H9R(1802); C6H10R(171), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C7H12R(199)<=>C6H9R(1802)+C7H13R(330) 5.258140e+13 -0.550 0.687 - -! Reaction index: Chemkin #6495; RMG #651209 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C7H13R(330); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C7H12R(199)<=>C6H9R(1802)+C7H13R(330) 1.225854e+27 -4.376 9.983 - -! Reaction index: Chemkin #6496; RMG #651240 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)C(399)+C6H10R(171)<=>CC(C)C(29484)+C6H9R(1802) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6497; RMG #651243 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -[CH2]C(C)C(399)+C6H10R(90)<=>CC(C)C(29484)+C6H9R(1802) 1.225854e+27 -4.376 5.437 - -! Reaction index: Chemkin #6498; RMG #651273 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H8R(287)+C6H10R(171)<=>C6H9R(1802)+C6H9R(1802) 5.258140e+13 -0.550 1.386 - -! Reaction index: Chemkin #6499; RMG #652330 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C10H13(202)<=>C6H9R(1802)+C10H14(179) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #6500; RMG #652333 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C10H13(202)<=>C6H9R(1802)+C10H14(179) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6501; RMG #652424 -! Template reaction: Disproportionation -! Flux pairs: C10H15(183), C10H14(184); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C10H15(183)<=>C6H9R(1802)+C10H14(184) 1.225854e+27 -4.376 11.547 - -! Reaction index: Chemkin #6502; RMG #652555 -! Template reaction: Disproportionation -! Flux pairs: C8H13(191), C8H12(194); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C8H13(191)<=>C6H9R(1802)+C8H12(194) 1.225854e+27 -4.376 8.888 - -! Reaction index: Chemkin #6503; RMG #652683 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H12(201); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C10H13(202)<=>C6H9R(1802)+C10H12(201) 1.350000e+03 2.700 0.150 - -! Reaction index: Chemkin #6504; RMG #652977 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C11H15(234)<=>C6H9R(1802)+C11H16(229) 5.258140e+13 -0.550 0.781 - -! Reaction index: Chemkin #6505; RMG #652980 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H15(234)<=>C6H9R(1802)+C11H16(229) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #6506; RMG #653130 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(240); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C10H14R(316)<=>C6H9R(1802)+C10H13R(240) 1.225854e+27 -4.376 8.685 - -! Reaction index: Chemkin #6507; RMG #653215 -! Template reaction: Disproportionation -! Flux pairs: C12H15(283), C12H14(244); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C12H15(283)<=>C6H9R(1802)+C12H14(244) 1.225854e+27 -4.376 12.903 - -! Reaction index: Chemkin #6508; RMG #653295 -! Template reaction: Disproportionation -! Flux pairs: C11H15(18464), C11H14(246); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H15(18464)<=>C6H9R(1802)+C11H14(246) 1.225854e+27 -4.376 11.547 - -! Reaction index: Chemkin #6509; RMG #653535 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18389), C12H14(257); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C12H15(18389)<=>C6H9R(1802)+C12H14(257) 1.225854e+27 -4.376 12.903 - -! Reaction index: Chemkin #6510; RMG #653887 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C12H15(323)<=>C6H9R(1802)+C12H16(269) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #6511; RMG #653890 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(323)<=>C6H9R(1802)+C12H16(269) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6512; RMG #654083 -! Template reaction: Disproportionation -! Flux pairs: C11H15(256), C11H14(271); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H15(256)<=>C6H9R(1802)+C11H14(271) 1.225854e+27 -4.376 11.547 - -! Reaction index: Chemkin #6513; RMG #654145 -! Template reaction: Disproportionation -! Flux pairs: C9H13(260), C9H12(272); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H13(260)<=>C6H9R(1802)+C9H12(272) 1.225854e+27 -4.376 8.888 - -! Reaction index: Chemkin #6514; RMG #654363 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C11H13(298)<=>C6H9R(1802)+C11H14(276) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #6515; RMG #654366 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H13(298)<=>C6H9R(1802)+C11H14(276) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6516; RMG #654447 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H14(277); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C12H15(22038)<=>C6H9R(1802)+C12H14(277) 1.350000e+03 2.700 0.141 - -! Reaction index: Chemkin #6517; RMG #654514 -! Template reaction: Disproportionation -! Flux pairs: C11H15(226), C11H14(278); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H15(226)<=>C6H9R(1802)+C11H14(278) 1.225854e+27 -4.376 12.903 - -! Reaction index: Chemkin #6518; RMG #656041 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H12(329); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C11H13(298)<=>C6H9R(1802)+C11H12(329) 1.350000e+03 2.700 0.150 - -! Reaction index: Chemkin #6519; RMG #656694 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H13(311)<=>C6H9R(1802)+C9H12(18323) 1.225854e+27 -4.376 8.888 - -! Reaction index: Chemkin #6520; RMG #657094 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C12H17(266)<=>C6H9R(1802)+C12H16(18380) 1.225854e+27 -4.376 11.760 - -! Reaction index: Chemkin #6521; RMG #657316 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H12R(18225)<=>C6H9R(1802)+C9H11R(18275) 1.225854e+27 -4.376 8.528 - -! Reaction index: Chemkin #6522; RMG #657435 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C10H14R(316)<=>C6H9R(1802)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6523; RMG #657518 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C12H15(18406)<=>C6H9R(1802)+C12H16(18680) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #6524; RMG #657521 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(18406)<=>C6H9R(1802)+C12H16(18680) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6525; RMG #657981 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H17(238)<=>C6H9R(1802)+C11H16(11281) 1.225854e+27 -4.376 11.547 - -! Reaction index: Chemkin #6526; RMG #657986 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H17(181)<=>C6H9R(1802)+C11H16(11281) 1.225854e+27 -4.376 11.760 - -! Reaction index: Chemkin #6527; RMG #658124 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C9H12L(293)<=>C6H9R(1802)+C9H11L(18431) 1.225854e+27 -4.376 8.685 - -! Reaction index: Chemkin #6528; RMG #658404 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H8R(287)+C11H17(10750)<=>C6H9R(1802)+C11H16(11277) 1.225854e+27 -4.376 11.547 - -! Reaction index: Chemkin #6529; RMG #658608 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H8R(287)+C10H14R(18285)<=>C6H9R(1802)+C10H13R(18278) 2.451708e+27 -4.376 8.759 - -! Reaction index: Chemkin #6530; RMG #658624 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C11H13(18468)<=>C6H9R(1802)+C11H14(18772) 5.258140e+13 -0.550 0.808 - -! Reaction index: Chemkin #6531; RMG #658627 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C11H13(18468)<=>C6H9R(1802)+C11H14(18772) 1.225854e+27 -4.376 10.329 - -! Reaction index: Chemkin #6532; RMG #648951 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C11H15(18454), C11H15(35245); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R -C11H15(18454)<=>C11H15(35245) 1.053080e+11 0.266 11.337 - -! Reaction index: Chemkin #6533; RMG #18425 -! Library reaction: restart_edge -! Flux pairs: C[CH]L(8), C5H8LR(1393); C3H4R(78), C5H8LR(1393); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -C[CH]L(8)+C3H4R(78)<=>C5H8LR(1393) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #6534; RMG #63701 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C5H9LR(138); C5H8LR(1393), C5H9LR(138); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C5H8LR(1393)<=>C5H9LR(138) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #6535; RMG #658701 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(65)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6536; RMG #658703 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(69)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6537; RMG #658705 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(66)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6538; RMG #658707 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(68)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6539; RMG #658709 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(72)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6540; RMG #658711 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(73)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6541; RMG #658713 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(71)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6542; RMG #658715 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(67)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6543; RMG #658717 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C9H17LR(70)<=>C5H8LR(1393)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6544; RMG #658735 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C10H20R(64)<=>C5H8LR(1393)+RC10(2) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6545; RMG #658753 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C10H20L(76)<=>C5H8LR(1393)+LC10(3) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6546; RMG #658755 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C5H9LR(138)<=>C3H5R(12)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6547; RMG #658773 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C5H9LR(138)<=>CC(C)L(13)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6548; RMG #658779 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C[CH]CC(C)L(7)<=>C5H8LR(1393)+CCCC(C)L(16) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6549; RMG #658787 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11R(17); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10R(171)<=>C5H8LR(1393)+C6H11R(17) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6550; RMG #658807 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C5H9LR(138)<=>C3H6(18)+C5H8LR(1393) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6551; RMG #658841 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C5H9LR(138)<=>CC(C)CR(20)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6552; RMG #658869 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C5H9LR(138)<=>CR(22)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6553; RMG #658881 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C7H14R(9)<=>C5H8LR(1393)+CC(C)CC(C)CR(23) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6554; RMG #658885 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H9L(24); C5H8L(89), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(24) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6555; RMG #658909 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H12L(11)<=>C5H8LR(1393)+CC(C)CC(C)L(25) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6556; RMG #658915 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C5H9LR(138)<=>CCL(26)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6557; RMG #658917 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C5H9LR(138)<=>CCCR(27)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6558; RMG #658987 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C[CH]CC(C)CR(5)<=>C5H8LR(1393)+CCCC(C)CR(32) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6559; RMG #659017 -! Template reaction: Disproportionation -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C5H9L2(203)<=>C5H8LR(1393)+CC(L)CC(C)L(35) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6560; RMG #659183 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H17L(49); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C8H16L(15)<=>C5H8LR(1393)+C8H17L(49) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6561; RMG #659215 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H11R(56); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10R(90)<=>C5H8LR(1393)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6562; RMG #659221 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11R(56); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10R(171)<=>C5H8LR(1393)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6563; RMG #659237 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H9L(57); C5H8L(77), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(57) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6564; RMG #659241 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H9L(57); C5H8L(89), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(57) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6565; RMG #659257 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C5H9LR(138)<=>C3H5R(58)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6566; RMG #659273 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C5H9LR(138)<=>C3H5L(59)+C5H8LR(1393) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6567; RMG #659287 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C5H9LR(138)<=>C4H7R(60)+C5H8LR(1393) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6568; RMG #659289 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C5H9LR(138)<=>C4H7R(60)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6569; RMG #659303 -! Template reaction: Disproportionation -! Flux pairs: C8H14L(112), C8H15L(61); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C8H14L(112)<=>C5H8LR(1393)+C8H15L(61) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6570; RMG #659331 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(108), C7H13R(62); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C7H12R(108)<=>C5H8LR(1393)+C7H13R(62) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6571; RMG #659353 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(103), C6H11L(63); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10L(103)<=>C5H8LR(1393)+C6H11L(63) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6572; RMG #659371 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C5H9LR(138)<=>C(75)+C5H8LR(1393) 1.150000e+13 -0.320 0.000 - -! Reaction index: Chemkin #6573; RMG #659373 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C5H9LR(138)<=>C4H7R(81)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6574; RMG #659387 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C5H9LR(138)<=>[H][H](83)+C5H8LR(1393) 1.191692e+10 0.568 0.000 - -! Reaction index: Chemkin #6575; RMG #659389 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H9L(84); C5H8L(77), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C5H9LR(138)<=>C5H8LR(1393)+C5H9L(84) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6576; RMG #659407 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C5H9LR(138)<=>C3H5L(86)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6577; RMG #659427 -! Template reaction: Disproportionation -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C7H15(85)<=>C5H8LR(1393)+CC(C)CC(C)C(87) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6578; RMG #659457 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C5H9LR(138)<=>CCC(95)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6579; RMG #659459 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C5H9LR(138)<=>CCC(95)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6580; RMG #659461 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H11R(98); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10R(90)<=>C5H8LR(1393)+C6H11R(98) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6581; RMG #659541 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H11L(107); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10L(169)<=>C5H8LR(1393)+C6H11L(107) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6582; RMG #659545 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(103), C6H11L(107); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10L(103)<=>C5H8LR(1393)+C6H11L(107) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6583; RMG #659561 -! Template reaction: Disproportionation -! Flux pairs: C6H9(113), C6H10(110); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H9(113)<=>C5H8LR(1393)+C6H10(110) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6584; RMG #659623 -! Template reaction: Disproportionation -! Flux pairs: C6H9(160), C6H10(116); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H9LR(138)+C6H9(160)<=>C5H8LR(1393)+C6H10(116) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6585; RMG #659625 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H10(116); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H9(114)<=>C5H8LR(1393)+C6H10(116) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6586; RMG #659641 -! Template reaction: Disproportionation -! Flux pairs: C6H7(123), C6H8(118); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H9LR(138)+C6H7(123)<=>C5H8LR(1393)+C6H8(118) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6587; RMG #659643 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(118); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H7(239)<=>C5H8LR(1393)+C6H8(118) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6588; RMG #659671 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C7H13R(120); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C7H12R(199)<=>C5H8LR(1393)+C7H13R(120) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6589; RMG #659677 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(108), C7H13R(120); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C7H12R(108)<=>C5H8LR(1393)+C7H13R(120) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6590; RMG #659691 -! Template reaction: Disproportionation -! Flux pairs: C6H7(123), C6H8(125); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H9LR(138)+C6H7(123)<=>C5H8LR(1393)+C6H8(125) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6591; RMG #659753 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C5H9LR(138)<=>C4H8(157)+C5H8LR(1393) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6592; RMG #659799 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C5H9LR(138)<=>C5H8(173)+C5H8LR(1393) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6593; RMG #659831 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C5H9LR(138)<=>C5H8(180)+C5H8LR(1393) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6594; RMG #659905 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(285); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H8R(287)<=>C5H8LR(1393)+C6H9R(285) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6595; RMG #659935 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(290); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H7(239)<=>C5H8LR(1393)+C6H8(290) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6596; RMG #659963 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H11L(325); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H10L(169)<=>C5H8LR(1393)+C6H11L(325) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6597; RMG #659981 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C7H13R(330); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C7H12R(199)<=>C5H8LR(1393)+C7H13R(330) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6598; RMG #660003 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C5H9LR(138)<=>CC(C)C(29484)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6599; RMG #660005 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H7(239)<=>C5H8LR(1393)+C6H8(18175) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6600; RMG #660028 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C6H8R(287)<=>C5H8LR(1393)+C6H9R(1802) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6601; RMG #661136 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C10H13(202)<=>C5H8LR(1393)+C10H14(179) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6602; RMG #661248 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C5H9LR(138)<=>C5H6(187)+C5H8LR(1393) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #6603; RMG #661672 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C11H15(234)<=>C5H8LR(1393)+C11H16(229) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6604; RMG #662393 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C12H15(323)<=>C5H8LR(1393)+C12H16(269) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6605; RMG #662741 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C11H13(298)<=>C5H8LR(1393)+C11H14(276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6606; RMG #665271 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C12H15(18406)<=>C5H8LR(1393)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6607; RMG #666089 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C11H13(18468)<=>C5H8LR(1393)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6608; RMG #648949 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C11H15(18454), C11H15(35243); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R_2R!H-inRing_Ext-4R!H-R -C11H15(18454)<=>C11H15(35243) 1.448900e+10 1.223 19.915 - -! Reaction index: Chemkin #6609; RMG #144013 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C12H18L(18253); C6H11L(63), C12H18L(18253); -! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C6H7(239)+C6H11L(63)<=>C12H18L(18253) 4.860000e+03 2.410 10.980 - -! Reaction index: Chemkin #6610; RMG #666245 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C10H14(18435), C12H18L(18253); C[CH]L(8), C12H18L(18253); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C10H14(18435)<=>C12H18L(18253) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #6611; RMG #36050 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5L(59), C10H17LR(3394); C7H12R(108), C10H17LR(3394); -! Estimated using template [Cds-HH_Cds-CsCs;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsCs;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5L(59)+C7H12R(108)<=>C10H17LR(3394) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #6612; RMG #23297 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(65), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(65)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6613; RMG #23301 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(69), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(69)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6614; RMG #23305 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(66), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(66)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6615; RMG #23309 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(68), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(68)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6616; RMG #23313 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(72), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(72)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6617; RMG #23317 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(73), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(73)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6618; RMG #23321 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(71), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(71)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6619; RMG #23325 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(67), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(67)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6620; RMG #23329 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(70), RC10L(1); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H17LR(70)<=>C4H5L(91)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6621; RMG #23365 -! Library reaction: restart_edge -! Flux pairs: C10H20R(64), RC10(2); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H20R(64)<=>C4H5L(91)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6622; RMG #23401 -! Library reaction: restart_edge -! Flux pairs: C10H20L(76), LC10(3); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H20L(76)<=>C4H5L(91)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6623; RMG #23465 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C4H6L(1895)<=>C3H5R(12)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6624; RMG #23489 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C4H6L(1895)<=>CC(C)L(13)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6625; RMG #23509 -! Library reaction: restart_edge -! Flux pairs: C[CH]CC(C)L(7), CCCC(C)L(16); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C[CH]CC(C)L(7)<=>C4H5L(91)+CCCC(C)L(16) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6626; RMG #23525 -! Library reaction: restart_edge -! Flux pairs: C6H10R(171), C6H11R(17); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10R(171)<=>C4H5L(91)+C6H11R(17) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6627; RMG #23553 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C4H6L(1895)<=>C3H6(18)+C4H5L(91) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6628; RMG #23597 -! Library reaction: restart_edge -! Flux pairs: [CH2]C(C)CR(6), CC(C)CR(20); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+[CH2]C(C)CR(6)<=>C4H5L(91)+CC(C)CR(20) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6629; RMG #23641 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C4H6L(1895)<=>CR(22)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6630; RMG #23665 -! Library reaction: restart_edge -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C7H14R(9)<=>C4H5L(91)+CC(C)CC(C)CR(23) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6631; RMG #23673 -! Library reaction: restart_edge -! Flux pairs: C5H8L(89), C5H9L(24); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C5H8L(89)<=>C4H5L(91)+C5H9L(24) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6632; RMG #23709 -! Library reaction: restart_edge -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H12L(11)<=>C4H5L(91)+CC(C)CC(C)L(25) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6633; RMG #23721 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C4H6L(1895)<=>CCL(26)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6634; RMG #23725 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C4H6L(1895)<=>CCCR(27)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6635; RMG #23865 -! Library reaction: restart_edge -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C[CH]CC(C)CR(5)<=>C4H5L(91)+CCCC(C)CR(32) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6636; RMG #23925 -! Library reaction: restart_edge -! Flux pairs: C5H9L2(203), CC(L)CC(C)L(35); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C5H9L2(203)<=>C4H5L(91)+CC(L)CC(C)L(35) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6637; RMG #24257 -! Library reaction: restart_edge -! Flux pairs: C8H16L(15), C8H17L(49); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C8H16L(15)<=>C4H5L(91)+C8H17L(49) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6638; RMG #24405 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11R(56); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10R(90)<=>C4H5L(91)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6639; RMG #24417 -! Library reaction: restart_edge -! Flux pairs: C6H10R(171), C6H11R(56); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10R(171)<=>C4H5L(91)+C6H11R(56) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6640; RMG #24437 -! Library reaction: restart_edge -! Flux pairs: C5H8L(77), C5H9L(57); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C5H8L(77)<=>C4H5L(91)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6641; RMG #24445 -! Library reaction: restart_edge -! Flux pairs: C5H8L(89), C5H9L(57); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C5H8L(89)<=>C4H5L(91)+C5H9L(57) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6642; RMG #24465 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C4H6L(1895)<=>C3H5R(58)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6643; RMG #24485 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C4H6L(1895)<=>C3H5L(59)+C4H5L(91) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6644; RMG #24501 -! Library reaction: restart_edge -! Flux pairs: C4H6R(224), C4H7R(60); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C4H6R(224)<=>C4H5L(91)+C4H7R(60) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6645; RMG #24505 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H7R(60); C4H6R(79), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C4H6L(1895)<=>C4H5L(91)+C4H7R(60) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6646; RMG #24521 -! Library reaction: restart_edge -! Flux pairs: C8H14L(112), C8H15L(61); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C8H14L(112)<=>C4H5L(91)+C8H15L(61) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6647; RMG #24565 -! Library reaction: restart_edge -! Flux pairs: C7H12R(108), C7H13R(62); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C7H12R(108)<=>C4H5L(91)+C7H13R(62) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6648; RMG #24597 -! Library reaction: restart_edge -! Flux pairs: C6H10L(103), C6H11L(63); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10L(103)<=>C4H5L(91)+C6H11L(63) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6649; RMG #24691 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C4H6L(1895)<=>C(75)+C4H5L(91) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #6650; RMG #24694 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C4H6L(1895)<=>C(75)+C4H5L(91) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #6651; RMG #24744 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H7R(81); C4H6R(79), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C4H6L(1895)<=>C4H5L(91)+C4H7R(81) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6652; RMG #24760 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C4H6L(1895)<=>[H][H](83)+C4H5L(91) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #6653; RMG #24764 -! Library reaction: restart_edge -! Flux pairs: C5H8L(77), C5H9L(84); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C5H8L(77)<=>C4H5L(91)+C5H9L(84) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6654; RMG #24796 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C4H6L(1895)<=>C3H5L(86)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6655; RMG #24824 -! Library reaction: restart_edge -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C7H15(85)<=>C4H5L(91)+CC(C)CC(C)C(87) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6656; RMG #25263 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C4H6L(1895); C4H5L(91), C4H6L(1895); -! From training reaction 2557 used for Cds-CsH_Cds-CdH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CdH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C4H5L(91)<=>C4H6L(1895) 1.350000e+08 1.640 0.380 - -! Reaction index: Chemkin #6657; RMG #25741 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C4H6L(1895)<=>CCC(95)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6658; RMG #25742 -! Library reaction: restart_edge -! Flux pairs: C4H6L(1895), C4H5L(91); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C4H6L(1895)<=>CCC(95)+C4H5L(91) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6659; RMG #28023 -! Library reaction: restart_edge -! Flux pairs: C6H10R(90), C6H11R(98); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10R(90)<=>C4H5L(91)+C6H11R(98) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6660; RMG #35422 -! Library reaction: restart_edge -! Flux pairs: C6H10L(169), C6H11L(107); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10L(169)<=>C4H5L(91)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6661; RMG #35424 -! Library reaction: restart_edge -! Flux pairs: C6H10L(103), C6H11L(107); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10L(103)<=>C4H5L(91)+C6H11L(107) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6662; RMG #38043 -! Library reaction: restart_edge -! Flux pairs: C6H9(113), C6H10(110); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H9(113)<=>C4H5L(91)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6663; RMG #46950 -! Library reaction: restart_edge -! Flux pairs: C6H9(160), C6H10(116); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C6H9(160)<=>C4H5L(91)+C6H10(116) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6664; RMG #46951 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H10(116); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H9(114)<=>C4H5L(91)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6665; RMG #50106 -! Library reaction: restart_edge -! Flux pairs: C6H7(123), C6H8(118); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C6H7(123)<=>C4H5L(91)+C6H8(118) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6666; RMG #50107 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(118); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H7(239)<=>C4H5L(91)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6667; RMG #52175 -! Library reaction: restart_edge -! Flux pairs: C7H12R(199), C7H13R(120); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C7H12R(199)<=>C4H5L(91)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6668; RMG #52178 -! Library reaction: restart_edge -! Flux pairs: C7H12R(108), C7H13R(120); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C7H12R(108)<=>C4H5L(91)+C7H13R(120) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6669; RMG #54784 -! Library reaction: restart_edge -! Flux pairs: C6H7(123), C6H8(125); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C6H7(123)<=>C4H5L(91)+C6H8(125) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6670; RMG #69578 -! Library reaction: restart_edge -! Flux pairs: C4H7(156), C4H8(157); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C4H7(156)<=>C4H5L(91)+C4H8(157) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6671; RMG #80130 -! Library reaction: restart_edge -! Flux pairs: C5H7(174), C5H8(173); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C5H7(174)<=>C4H5L(91)+C5H8(173) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6672; RMG #86074 -! Library reaction: restart_edge -! Flux pairs: C10H13(202), C10H14(179); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H13(202)<=>C4H5L(91)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6673; RMG #88420 -! Library reaction: restart_edge -! Flux pairs: C5H7(178), C5H8(180); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C5H7(178)<=>C4H5L(91)+C5H8(180) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6674; RMG #93171 -! Library reaction: restart_edge -! Flux pairs: C5H5(189), C5H6(187); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C4H6L(1895)+C5H5(189)<=>C4H5L(91)+C5H6(187) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #6675; RMG #137266 -! Library reaction: restart_edge -! Flux pairs: C11H15(234), C11H16(229); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C11H15(234)<=>C4H5L(91)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6676; RMG #205637 -! Library reaction: restart_edge -! Flux pairs: C12H15(323), C12H16(269); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C12H15(323)<=>C4H5L(91)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6677; RMG #233270 -! Library reaction: restart_edge -! Flux pairs: C11H13(298), C11H14(276); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C11H13(298)<=>C4H5L(91)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6678; RMG #267257 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(285); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H8R(287)<=>C4H5L(91)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6679; RMG #277961 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C6H8(290); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H7(239)<=>C4H5L(91)+C6H8(290) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6680; RMG #347015 -! Library reaction: restart_edge -! Flux pairs: C6H10L(169), C6H11L(325); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10L(169)<=>C4H5L(91)+C6H11L(325) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6681; RMG #369403 -! Library reaction: restart_edge -! Flux pairs: C7H12R(199), C7H13R(330); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C7H12R(199)<=>C4H5L(91)+C7H13R(330) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6682; RMG #408174 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), CC(C)C(29484); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+[CH2]C(C)C(399)<=>C4H5L(91)+CC(C)C(29484) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6683; RMG #466128 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H8(18175); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H7(239)<=>C4H5L(91)+C6H8(18175) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6684; RMG #508450 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C12H15(18406)<=>C4H5L(91)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6685; RMG #632379 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C11H13(18468)<=>C4H5L(91)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6686; RMG #650300 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(287), C6H9R(1802); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H8R(287)<=>C4H5L(91)+C6H9R(1802) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6687; RMG #667615 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C4H6L(1895), C7H11L2(36342); C3H5L(59), C7H11L2(36342); -! From training reaction 259 used for Cds-HH_Cds-CsCs;CsJ-CdHH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdHH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5L(59)+C4H6L(1895)<=>C7H11L2(36342) 2.790000e+04 2.410 11.220 - -! Reaction index: Chemkin #6688; RMG #669245 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(18406), C12H16(18680); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C12H15(18406)<=>C5H9L2(203)+C12H16(18680) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #6689; RMG #667195 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); RC10L(1), C9H17LR(65); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+RC10L(1)<=>C4H7L(36302)+C9H17LR(65) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #6690; RMG #667196 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); RC10L(1), C9H17LR(69); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+RC10L(1)<=>C4H7L(36302)+C9H17LR(69) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #6691; RMG #667197 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(66), RC10L(1); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C9H17LR(66)<=>C4H6L(1895)+RC10L(1) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6692; RMG #667198 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(68), RC10L(1); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C9H17LR(68)<=>C4H6L(1895)+RC10L(1) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6693; RMG #667199 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); RC10L(1), C9H17LR(72); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+RC10L(1)<=>C4H7L(36302)+C9H17LR(72) 1.690000e-02 4.340 16.600 - -! Reaction index: Chemkin #6694; RMG #667200 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(73), RC10L(1); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C9H17LR(73)<=>C4H6L(1895)+RC10L(1) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6695; RMG #667201 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(71), RC10L(1); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C9H17LR(71)<=>C4H6L(1895)+RC10L(1) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6696; RMG #667202 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(67), RC10L(1); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C9H17LR(67)<=>C4H6L(1895)+RC10L(1) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6697; RMG #667203 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C9H17LR(70), RC10L(1); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C9H17LR(70)<=>C4H6L(1895)+RC10L(1) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6698; RMG #667221 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C10H20R(64), RC10(2); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C10H20R(64)<=>C4H6L(1895)+RC10(2) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6699; RMG #667239 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C10H20L(76), LC10(3); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C10H20L(76)<=>C4H6L(1895)+LC10(3) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6700; RMG #667245 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C4H6L(1895)<=>C3H4R(78)+C4H7L(36302) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6701; RMG #667253 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C4H7L(36302)<=>CC(C)L(13)+C4H6L(1895) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6702; RMG #667261 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C[CH]CC(C)L(7)<=>C4H6L(1895)+CCCC(C)L(16) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6703; RMG #667273 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11R(17), C6H10R(171); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H11R(17)<=>C4H7L(36302)+C6H10R(171) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6704; RMG #667285 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C3H6(18), C3H5(102); -! From training reaction 3027 used for C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C4H6L(1895)<=>C3H5(102)+C4H7L(36302) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6705; RMG #667303 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+[CH2]C(C)CR(6)<=>C4H6L(1895)+CC(C)CR(20) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6706; RMG #667325 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]R(14), CR(22); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]R(14)+C4H7L(36302)<=>CR(22)+C4H6L(1895) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6707; RMG #667337 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C7H14R(9)<=>C4H6L(1895)+CC(C)CC(C)CR(23) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6708; RMG #667346 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C5H9L(24)<=>C4H7L(36302)+C5H8L(89) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6709; RMG #667360 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C6H12L(11)<=>C4H6L(1895)+CC(C)CC(C)L(25) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6710; RMG #667365 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]L(8), CCL(26); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]L(8)+C4H7L(36302)<=>CCL(26)+C4H6L(1895) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6711; RMG #667369 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]CR(10), CCCR(27); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C[CH]CR(10)+C4H7L(36302)<=>CCCR(27)+C4H6L(1895) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6712; RMG #667420 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C[CH]CC(C)CR(5)<=>C4H6L(1895)+CCCC(C)CR(32) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6713; RMG #667448 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 956 used for C/H/Cs3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+CC(L)CC(C)L(35)<=>C4H7L(36302)+C5H9L2(203) 3.380000e-02 4.340 16.600 - -! Reaction index: Chemkin #6714; RMG #667552 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C8H16L(15), C8H17L(49); -! Estimated using template [C/H3/Cd;C_rad/H/NonDeC] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H/NonDeC] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C8H16L(15)<=>C4H6L(1895)+C8H17L(49) 9.781927e-04 4.260 6.640 - -! Reaction index: Chemkin #6715; RMG #667576 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11R(56), C6H10R(90); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C6H11R(56)<=>C4H7L(36302)+C6H10R(90) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6716; RMG #667579 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C6H10R(171), C6H11R(56); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C6H10R(171)<=>C4H6L(1895)+C6H11R(56) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6717; RMG #667591 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C5H9L(57), C5H8L(77); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C5H9L(57)<=>C4H7L(36302)+C5H8L(77) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6718; RMG #667593 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C5H8L(89), C5H9L(57); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C5H8L(89)<=>C4H6L(1895)+C5H9L(57) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6719; RMG #667603 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C3H4R(78), C3H5R(58); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4R(78)+C4H7L(36302)<=>C3H5R(58)+C4H6L(1895) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6720; RMG #667612 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C3H4L(147), C3H5L(59); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C3H4L(147)+C4H7L(36302)<=>C3H5L(59)+C4H6L(1895) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #6721; RMG #667621 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C4H6R(224), C4H7R(60); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H6R(224)+C4H7L(36302)<=>C4H6L(1895)+C4H7R(60) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #6722; RMG #667622 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C4H7R(60)<=>C4H6R(79)+C4H7L(36302) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6723; RMG #667636 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C8H15L(61), C8H14L(112); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C8H15L(61)<=>C4H7L(36302)+C8H14L(112) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6724; RMG #667655 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C7H13R(62)<=>C4H7L(36302)+C7H12R(108) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6725; RMG #667670 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H11L(63)<=>C4H7L(36302)+C6H10L(103) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6726; RMG #667677 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); CH3(74), C(75); -! From training reaction 758 used for C/H3/Cd\H_Cd\H\Cs;C_methyl -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;C_methyl] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -CH3(74)+C4H7L(36302)<=>C(75)+C4H6L(1895) 7.200000e-02 4.250 7.530 - -! Reaction index: Chemkin #6727; RMG #667682 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C4H6R(79), C4H7R(81); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6R(79)+C4H7L(36302)<=>C4H6L(1895)+C4H7R(81) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6728; RMG #667687 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); H(82), [H][H](83); -! From training reaction 756 used for C/H3/Cd\H_Cd\H\Cs;H_rad -! Exact match found for rate rule [C/H3/Cd\H_Cd\H\Cs;H_rad] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -H(82)+C4H7L(36302)<=>[H][H](83)+C4H6L(1895) 3.360000e+03 3.140 4.290 - -! Reaction index: Chemkin #6729; RMG #667694 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C5H9L(84)<=>C4H7L(36302)+C5H8L(77) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6730; RMG #667705 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C3H4L(219), C3H5L(86); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H4L(219)+C4H7L(36302)<=>C3H5L(86)+C4H6L(1895) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6731; RMG #667715 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C7H15(85), CC(C)CC(C)C(87); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C7H15(85)<=>C4H6L(1895)+CC(C)CC(C)C(87) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6732; RMG #667734 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); CCC(95), C[CH]C(94); -! From training reaction 913 used for C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C4H6L(1895)<=>C[CH]C(94)+C4H7L(36302) 2.920000e-02 4.340 16.600 - -! Reaction index: Chemkin #6733; RMG #667735 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]CC(195), CCC(95); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -[CH2]CC(195)+C4H7L(36302)<=>CCC(95)+C4H6L(1895) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6734; RMG #667743 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H11R(98)<=>C4H7L(36302)+C6H10R(90) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6735; RMG #667792 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11L(107), C6H10L(169); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C6H11L(107)<=>C4H7L(36302)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6736; RMG #667794 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C6H10L(103), C6H11L(107); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C6H10L(103)<=>C4H6L(1895)+C6H11L(107) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6737; RMG #667808 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H10(110), C6H9(113); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6L(1895)+C6H10(110)<=>C4H7L(36302)+C6H9(113) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6738; RMG #667872 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H10(116)<=>C4H7L(36302)+C6H9(160) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6739; RMG #667873 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H10(116)<=>C4H7L(36302)+C6H9(114) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6740; RMG #667901 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(118), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H8(118)<=>C4H7L(36302)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #6741; RMG #667902 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] for rate rule [2_methyl_CPD;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6L(1895)+C6H8(118)<=>C4H7L(36302)+C6H7(239) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6742; RMG #667917 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C7H13R(120), C7H12R(199); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C7H13R(120)<=>C4H7L(36302)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6743; RMG #667920 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C7H12R(108), C7H13R(120); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+C7H12R(108)<=>C4H6L(1895)+C7H13R(120) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6744; RMG #667933 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(125), C6H7(123); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H8(125)<=>C4H7L(36302)+C6H7(123) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #6745; RMG #667966 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); C4H7(156), C4H8(157); -! Estimated using template [C/H3/Cd;C_rad/H2/Cd] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.4142135623730951 -! Multiplied by reaction path degeneracy 6.0 -! family: H_Abstraction -C4H7L(36302)+C4H7(156)<=>C4H6L(1895)+C4H8(157) 8.700000e-03 4.340 13.600 - -! Reaction index: Chemkin #6746; RMG #667999 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6L(1895)+C5H8(173)<=>C4H7L(36302)+C5H7(174) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6747; RMG #668013 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6L(1895)+C5H8(180)<=>C4H7L(36302)+C5H7(178) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #6748; RMG #668021 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C5H6(187), C5H5(189); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C5H6(187)<=>C4H7L(36302)+C5H5(189) 3.860000e-03 4.340 6.700 - -! Reaction index: Chemkin #6749; RMG #668114 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H6L(1895)+C6H9R(285)<=>C4H7L(36302)+C6H8R(287) 4.350000e-03 4.340 13.600 - -! Reaction index: Chemkin #6750; RMG #668132 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(290), C6H7(239); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H8(290)<=>C4H7L(36302)+C6H7(239) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6751; RMG #668146 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H11L(325), C6H10L(169); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C6H11L(325)<=>C4H7L(36302)+C6H10L(169) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6752; RMG #668159 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C7H13R(330), C7H12R(199); -! From training reaction 1086 used for C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! family: H_Abstraction -C4H6L(1895)+C7H13R(330)<=>C4H7L(36302)+C7H12R(199) 2.780000e-03 4.340 8.900 - -! Reaction index: Chemkin #6753; RMG #668169 -! Template reaction: H_Abstraction -! Flux pairs: C4H7L(36302), C4H6L(1895); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated using template [C/H3/Cd;C_rad/H2/Cs] for rate rule [C/H3/Cd\H_Cd\H\Cs;C_rad/H2/Cs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C4H7L(36302)+[CH2]C(C)C(399)<=>C4H6L(1895)+CC(C)C(29484) 1.344361e-04 4.649 4.527 - -! Reaction index: Chemkin #6754; RMG #668176 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H8(18175), C6H7(239); -! From training reaction 1130 used for C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2 -! Exact match found for rate rule [C/H2/CdCd;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6L(1895)+C6H8(18175)<=>C4H7L(36302)+C6H7(239) 7.720000e-03 4.340 6.700 - -! Reaction index: Chemkin #6755; RMG #668192 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C6H9R(1802), C6H8R(287); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C6H9R(1802)<=>C4H7L(36302)+C6H8R(287) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6756; RMG #668500 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C10H14(179), C10H13(202); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C10H14(179)<=>C4H7L(36302)+C10H13(202) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6757; RMG #668662 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C11H16(229), C11H15(234); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C11H16(229)<=>C4H7L(36302)+C11H15(234) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6758; RMG #668686 -! Template reaction: Disproportionation -! Flux pairs: C6H7(239), C6H6(252); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H7(239)<=>C4H7L(36302)+C6H6(252) 1.350000e+03 2.700 0.044 - -! Reaction index: Chemkin #6759; RMG #668944 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C12H16(18680), C12H15(18406); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C12H16(18680)<=>C4H7L(36302)+C12H15(18406) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6760; RMG #669062 -! Template reaction: H_Abstraction -! Flux pairs: C4H6L(1895), C4H7L(36302); C11H14(18772), C11H13(18468); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C11H14(18772)<=>C4H7L(36302)+C11H13(18468) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6761; RMG #670191 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H8(118); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H9(114)<=>C4H7L(36302)+C6H8(118) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6762; RMG #670199 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H8(125); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H9(114)<=>C4H7L(36302)+C6H8(125) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6763; RMG #670200 -! Template reaction: Disproportionation -! Flux pairs: C6H9(114), C6H8(290); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C6H9(114)<=>C4H7L(36302)+C6H8(290) 1.225854e+27 -4.376 9.481 - -! Reaction index: Chemkin #6764; RMG #677719 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H5L(91); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C4H6L(1895)<=>C4H5L(91)+C4H7L(36302) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6765; RMG #677726 -! Template reaction: R_Recombination -! Flux pairs: C4H6L(1895), C4H7L(36302); H(82), C4H7L(36302); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N- -! Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -H(82)+C4H6L(1895)<=>C4H7L(36302) 1.625980e+13 0.255 0.000 - -! Reaction index: Chemkin #6766; RMG #677834 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C4H6L(1895)<=>C3H5R(12)+C4H7L(36302) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #6767; RMG #677878 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(17); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C[CH]CC(C)CR(5)<=>C4H7L(36302)+C6H11R(17) 1.225854e+27 -4.376 6.090 - -! Reaction index: Chemkin #6768; RMG #677888 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H7L(36302); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C4H6L(1895)<=>C3H6(18)+C4H7L(36302) 3.941700e+12 -0.039 0.000 - -! Reaction index: Chemkin #6769; RMG #677892 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C4H6L(1895)<=>C3H6(18)+C4H7L(36302) 2.451708e+27 -4.376 6.166 - -! Reaction index: Chemkin #6770; RMG #677900 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C4H6L(1895)<=>C2H3L(19)+C4H7L(36302) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #6771; RMG #677934 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(21); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C8H16L(15)<=>C4H7L(36302)+C8H15L(21) 1.225854e+27 -4.376 6.090 - -! Reaction index: Chemkin #6772; RMG #677966 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)L(7), C5H9L(24); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C[CH]CC(C)L(7)<=>C4H7L(36302)+C5H9L(24) 1.225854e+27 -4.376 6.090 - -! Reaction index: Chemkin #6773; RMG #678336 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), C6H11R(56); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C[CH]CC(C)CR(5)<=>C4H7L(36302)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6774; RMG #678354 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)L(7), C5H9L(57); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C[CH]CC(C)L(7)<=>C4H7L(36302)+C5H9L(57) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6775; RMG #678372 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H7L(36302); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C4H6L(1895)<=>C3H5R(58)+C4H7L(36302) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6776; RMG #678380 -! Template reaction: Disproportionation -! Flux pairs: C4H6L(1895), C4H7L(36302); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -[CH2]C(C)L(4)+C4H6L(1895)<=>C3H5L(59)+C4H7L(36302) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6777; RMG #678394 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)CR(6), C4H7L(36302); C4H6L(1895), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6L(1895)+[CH2]C(C)CR(6)<=>C4H7R(60)+C4H7L(36302) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6778; RMG #678418 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H15L(61); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C8H16L(15)<=>C4H7L(36302)+C8H15L(61) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6779; RMG #678438 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), C7H13R(62); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6L(1895)+C7H14R(9)<=>C4H7L(36302)+C7H13R(62) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6780; RMG #678456 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), C6H11L(63); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6L(1895)+C6H12L(11)<=>C4H7L(36302)+C6H11L(63) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6781; RMG #679089 -! Template reaction: Disproportionation -! Flux pairs: C6H9(160), C6H8(125); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C6H9(160)<=>C4H7L(36302)+C6H8(125) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #6782; RMG #679325 -! Template reaction: Disproportionation -! Flux pairs: [CH2]C(C)C(399), C4H8(157); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6L(1895)+[CH2]C(C)C(399)<=>C4H7L(36302)+C4H8(157) 7.830000e+11 0.000 0.000 - -! Reaction index: Chemkin #6783; RMG #679564 -! Template reaction: Disproportionation -! Flux pairs: C10H15(183), C10H14(184); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C10H15(183)<=>C4H7L(36302)+C10H14(184) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #6784; RMG #679592 -! Template reaction: Disproportionation -! Flux pairs: C5H7(178), C5H6(187); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C4H6L(1895)+C5H7(178)<=>C4H7L(36302)+C5H6(187) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #6785; RMG #679661 -! Template reaction: Disproportionation -! Flux pairs: C8H13(191), C8H12(194); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C8H13(191)<=>C4H7L(36302)+C8H12(194) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #6786; RMG #679746 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H12(201); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H13(202)<=>C4H7L(36302)+C10H12(201) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6787; RMG #680187 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(240); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C10H14R(316)<=>C4H7L(36302)+C10H13R(240) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #6788; RMG #680243 -! Template reaction: Disproportionation -! Flux pairs: C12H15(283), C12H14(244); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C12H15(283)<=>C4H7L(36302)+C12H14(244) 1.225854e+27 -4.376 9.551 - -! Reaction index: Chemkin #6789; RMG #680295 -! Template reaction: Disproportionation -! Flux pairs: C11H15(18464), C11H14(246); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C11H15(18464)<=>C4H7L(36302)+C11H14(246) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #6790; RMG #680380 -! Template reaction: Disproportionation -! Flux pairs: C6H7(123), C6H6(252); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C6H7(123)<=>C4H7L(36302)+C6H6(252) 1.225854e+27 -4.376 9.625 - -! Reaction index: Chemkin #6791; RMG #680502 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18389), C12H14(257); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C12H15(18389)<=>C4H7L(36302)+C12H14(257) 1.225854e+27 -4.376 9.551 - -! Reaction index: Chemkin #6792; RMG #680566 -! Template reaction: Disproportionation -! Flux pairs: C5H8L(89), C5H7L(262); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6L(1895)+C5H8L(89)<=>C4H7L(36302)+C5H7L(262) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6793; RMG #680578 -! Template reaction: Disproportionation -! Flux pairs: C5H8L(77), C5H7L(262); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C5H8L(77)<=>C4H7L(36302)+C5H7L(262) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #6794; RMG #680878 -! Template reaction: Disproportionation -! Flux pairs: C11H15(256), C11H14(271); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C11H15(256)<=>C4H7L(36302)+C11H14(271) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #6795; RMG #680918 -! Template reaction: Disproportionation -! Flux pairs: C9H13(260), C9H12(272); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C9H13(260)<=>C4H7L(36302)+C9H12(272) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #6796; RMG #681108 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H14(277); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C12H15(22038)<=>C4H7L(36302)+C12H14(277) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6797; RMG #681152 -! Template reaction: Disproportionation -! Flux pairs: C11H15(226), C11H14(278); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C11H15(226)<=>C4H7L(36302)+C11H14(278) 1.225854e+27 -4.376 9.551 - -! Reaction index: Chemkin #6798; RMG #681306 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(285); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H10R(90)<=>C4H7L(36302)+C6H9R(285) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6799; RMG #682217 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H12(329); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C11H13(298)<=>C4H7L(36302)+C11H12(329) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #6800; RMG #682676 -! Template reaction: Disproportionation -! Flux pairs: C9H13(311), C9H12(18323); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C9H13(311)<=>C4H7L(36302)+C9H12(18323) 1.225854e+27 -4.376 6.263 - -! Reaction index: Chemkin #6801; RMG #682936 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18380); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C12H17(266)<=>C4H7L(36302)+C12H16(18380) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #6802; RMG #683098 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18225), C9H11R(18275); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C9H12R(18225)<=>C4H7L(36302)+C9H11R(18275) 1.225854e+27 -4.376 5.973 - -! Reaction index: Chemkin #6803; RMG #683174 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(316), C10H13R(18283); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H14R(316)<=>C4H7L(36302)+C10H13R(18283) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6804; RMG #683534 -! Template reaction: Disproportionation -! Flux pairs: C11H17(238), C11H16(11281); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C11H17(238)<=>C4H7L(36302)+C11H16(11281) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #6805; RMG #683538 -! Template reaction: Disproportionation -! Flux pairs: C11H17(181), C11H16(11281); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C11H17(181)<=>C4H7L(36302)+C11H16(11281) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #6806; RMG #683628 -! Template reaction: Disproportionation -! Flux pairs: C9H12L(293), C9H11L(18431); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C9H12L(293)<=>C4H7L(36302)+C9H11L(18431) 1.225854e+27 -4.376 6.099 - -! Reaction index: Chemkin #6807; RMG #683833 -! Template reaction: Disproportionation -! Flux pairs: C11H17(10750), C11H16(11277); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C11H17(10750)<=>C4H7L(36302)+C11H16(11277) 1.225854e+27 -4.376 8.429 - -! Reaction index: Chemkin #6808; RMG #683965 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(18285), C10H13R(18278); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6L(1895)+C10H14R(18285)<=>C4H7L(36302)+C10H13R(18278) 2.451708e+27 -4.376 6.159 - -! Reaction index: Chemkin #6809; RMG #684035 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H9R(1802); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -C4H6L(1895)+C6H10R(171)<=>C4H7L(36302)+C6H9R(1802) 7.830000e+11 0.000 0.294 - -! Reaction index: Chemkin #6810; RMG #684047 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H9R(1802); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C4H6L(1895)+C6H10R(90)<=>C4H7L(36302)+C6H9R(1802) 1.225854e+27 -4.376 8.605 - -! Reaction index: Chemkin #6811; RMG #684065 -! Template reaction: Disproportionation -! Flux pairs: C5H9LR(138), C5H8LR(1393); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C5H9LR(138)<=>C4H7L(36302)+C5H8LR(1393) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6812; RMG #143995 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C6H7(239), C13H20R(18248); C7H13R(62), C13H20R(18248); -! From training reaction 260 used for Cds-HH_Cds-CsCs;CsJ-CdCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C6H7(239)+C7H13R(62)<=>C13H20R(18248) 4.860000e+03 2.410 10.980 - -! Reaction index: Chemkin #6813; RMG #684106 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C10H14(18435), C13H20R(18248); C[CH]CR(10), C13H20R(18248); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C10H14(18435)<=>C13H20R(18248) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #6814; RMG #144077 -! Library reaction: restart_edge -! Flux pairs: C4H6R(79), C10H13R(18281); C6H7(239), C10H13R(18281); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -C4H6R(79)+C6H7(239)<=>C10H13R(18281) 3.481290e+13 -0.158 0.000 - -! Reaction index: Chemkin #6815; RMG #157429 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C10H14R(247); C10H13R(18281), C10H14R(247); -! From training reaction 2933 used for Cds-CsH_Cds-CsCs;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C10H13R(18281)<=>C10H14R(247) 3.066000e+11 0.481 7.426 - -! Reaction index: Chemkin #6816; RMG #684198 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(65)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6817; RMG #684204 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(69)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6818; RMG #684210 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(66)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6819; RMG #684216 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(68)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6820; RMG #684222 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(72)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6821; RMG #684228 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(73)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6822; RMG #684234 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(71)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6823; RMG #684240 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(67)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6824; RMG #684246 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H17LR(70)+C10H14R(247)<=>RC10L(1)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6825; RMG #684300 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C10H20R(64)<=>C10H13R(18281)+RC10(2) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6826; RMG #684354 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C10H20L(76)<=>C10H13R(18281)+LC10(3) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6827; RMG #684360 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C10H14R(247)<=>C3H5R(12)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6828; RMG #684400 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C10H14R(247)<=>CC(C)L(13)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6829; RMG #684412 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C10H14R(247)<=>C6H11R(17)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6830; RMG #684458 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C10H14R(247)<=>C3H6(18)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6831; RMG #684532 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C10H14R(247)<=>CC(C)CR(20)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6832; RMG #684538 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C10H14R(247)<=>CR(22)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6833; RMG #684550 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C10H14R(247)<=>C5H9L(24)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6834; RMG #684608 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C10H14R(247)<=>CC(C)CC(C)L(25)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6835; RMG #684626 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C10H14R(247)<=>CCL(26)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6836; RMG #684632 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H14R(247)<=>CCCR(27)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6837; RMG #684650 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H14R(247)<=>C6H11R(56)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6838; RMG #684668 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C10H14R(247)<=>C6H11R(56)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6839; RMG #684702 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C10H14R(247)<=>C5H9L(57)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6840; RMG #684714 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C10H14R(247)<=>C5H9L(57)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6841; RMG #684748 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C10H14R(247)<=>C3H5R(58)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6842; RMG #684782 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C10H14R(247)<=>C3H5L(59)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6843; RMG #684810 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C10H14R(247)<=>C4H7R(60)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6844; RMG #684816 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C10H14R(247)<=>C4H7R(60)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6845; RMG #684844 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C10H14R(247)<=>C8H15L(61)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6846; RMG #684914 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C10H14R(247)<=>C7H13R(62)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6847; RMG #684966 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C10H14R(247)<=>C6H11L(63)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6848; RMG #685006 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C10H14R(247)<=>C(75)+C10H13R(18281) 1.150000e+13 -0.320 0.000 - -! Reaction index: Chemkin #6849; RMG #685052 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H14R(247)<=>CCCC(C)L(16)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6850; RMG #685164 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C10H14R(247)<=>CC(C)CC(C)CR(23)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6851; RMG #685302 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H14R(247)<=>CCCC(C)CR(32)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6852; RMG #685392 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C10H14R(247)<=>CC(L)CC(C)L(35)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6853; RMG #685890 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H14R(247)<=>C8H17L(49)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6854; RMG #686034 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C10H14R(247)<=>C4H7R(81)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6855; RMG #686062 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C10H14R(247)<=>[H][H](83)+C10H13R(18281) 1.191692e+10 0.568 0.000 - -! Reaction index: Chemkin #6856; RMG #686068 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C10H14R(247)<=>C5H9L(84)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6857; RMG #686108 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C10H14R(247)<=>C3H5L(86)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6858; RMG #686154 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C10H14R(247)<=>CC(C)CC(C)C(87)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6859; RMG #686244 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C10H14R(247)<=>CCC(95)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6860; RMG #686250 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H14R(247)<=>CCC(95)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6861; RMG #686256 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H14R(247)<=>C6H11R(98)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6862; RMG #686440 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C10H14R(247)<=>C6H11L(107)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6863; RMG #686452 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C10H14R(247)<=>C6H11L(107)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6864; RMG #686486 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C10H14R(247)<=>C6H10(110)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6865; RMG #686686 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H14R(247)<=>C6H10(116)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6866; RMG #686692 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H14R(247)<=>C6H10(116)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6867; RMG #686772 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C10H14R(247)<=>C6H8(118)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6868; RMG #686778 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H14R(247)<=>C6H8(118)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6869; RMG #686834 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C10H14R(247)<=>C7H13R(120)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6870; RMG #686852 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C10H14R(247)<=>C7H13R(120)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6871; RMG #686880 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C10H14R(247)<=>C6H8(125)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6872; RMG #687038 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C10H14R(247)<=>C4H8(157)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6873; RMG #687176 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C10H14R(247)<=>C5H8(173)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6874; RMG #687286 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C10H14R(247)<=>C5H8(180)+C10H13R(18281) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6875; RMG #687352 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C10H14R(247)<=>C5H6(187)+C10H13R(18281) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #6876; RMG #688974 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C10H14R(247)<=>C6H9R(285)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6877; RMG #689106 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H14R(247)<=>C6H8(290)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6878; RMG #689734 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C10H14R(247)<=>C6H11L(325)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6879; RMG #689774 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C10H14R(247)<=>C7H13R(330)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6880; RMG #690046 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C10H14R(247)<=>CC(C)C(29484)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6881; RMG #690340 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C10H14R(247)<=>C6H8(18175)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6882; RMG #690784 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C12H15(18406)<=>C10H13R(18281)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6883; RMG #691876 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C11H13(18468)<=>C10H13R(18281)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6884; RMG #691972 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C10H14R(247)<=>C6H9R(1802)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6885; RMG #692108 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H13R(18281); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H14R(247)<=>C4H7L(36302)+C10H13R(18281) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6886; RMG #274713 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: H(82), C6H8R(288); C6H7R(24238), C6H8R(288); -! From training reaction 11 used for Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ -! Exact match found for rate rule [Cds-CsH_Cds-(CdsH-Cds)_cyc5;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C6H7R(24238)<=>C6H8R(288) 1.650000e+09 1.480 0.900 - -! Reaction index: Chemkin #6887; RMG #275735 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C6H8R(288)<=>C5H8(173)+C6H7R(24238) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6888; RMG #276000 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H8(118); C6H7(239), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H8R(288)<=>C6H7R(24238)+C6H8(118) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6889; RMG #276006 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H8(18175); C6H7(239), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H8R(288)<=>C6H7R(24238)+C6H8(18175) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6890; RMG #276012 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H8(290); C6H7(239), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H8R(288)<=>C6H7R(24238)+C6H8(290) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6891; RMG #276165 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(285); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H8R(287)<=>C6H7R(24238)+C6H9R(285) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6892; RMG #276178 -! Library reaction: restart_edge -! Flux pairs: C6H8R(287), C6H9R(1802); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H8R(287)<=>C6H7R(24238)+C6H9R(1802) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6893; RMG #281688 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H8R(288)<=>C3H5R(12)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6894; RMG #281695 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C6H8R(288)<=>C3H5R(58)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6895; RMG #285478 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H8R(288)<=>C4H7R(60)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6896; RMG #285484 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C6H8R(288)<=>C4H7R(81)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6897; RMG #285522 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C6H8R(288)<=>C3H6(18)+C6H7R(24238) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6898; RMG #285530 -! Library reaction: restart_edge -! Flux pairs: C6H9(113), C6H10(110); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H9(113)<=>C6H7R(24238)+C6H10(110) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6899; RMG #285562 -! Library reaction: restart_edge -! Flux pairs: C6H9(114), C6H10(116); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H9(114)<=>C6H7R(24238)+C6H10(116) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6900; RMG #285569 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C6H8R(288)<=>C3H5L(59)+C6H7R(24238) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6901; RMG #285581 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C6H8R(288)<=>C5H8(180)+C6H7R(24238) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6902; RMG #289271 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H8R(288)<=>C5H9L(57)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6903; RMG #289280 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C6H8R(288)<=>C5H9L(84)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6904; RMG #289287 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C6H8R(288)<=>C4H8(157)+C6H7R(24238) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6905; RMG #295647 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C6H8R(288)<=>C5H6(187)+C6H7R(24238) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #6906; RMG #322554 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C6H8R(288)<=>C4H7R(60)+C6H7R(24238) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #6907; RMG #393098 -! Library reaction: restart_edge -! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C6H8R(288)<=>CCL(26)+C6H7R(24238) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #6908; RMG #692192 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(65)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6909; RMG #692196 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(69)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6910; RMG #692200 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(66)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6911; RMG #692204 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(68)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6912; RMG #692208 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(72)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6913; RMG #692212 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(73)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6914; RMG #692216 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(71)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6915; RMG #692220 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(67)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6916; RMG #692224 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C9H17LR(70)<=>C6H7R(24238)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6917; RMG #692260 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C10H20R(64)<=>C6H7R(24238)+RC10(2) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6918; RMG #692296 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C10H20L(76)<=>C6H7R(24238)+LC10(3) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6919; RMG #692397 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C6H8R(288)<=>CC(C)L(13)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6920; RMG #692418 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C6H8R(288)<=>CCCC(C)L(16)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6921; RMG #692434 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11R(17); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10R(171)<=>C6H7R(24238)+C6H11R(17) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6922; RMG #692511 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C6H8R(288)<=>CC(C)CR(20)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6923; RMG #692557 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C6H8R(288)<=>CR(22)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6924; RMG #692581 -! Template reaction: Disproportionation -! Flux pairs: C7H14R(9), CC(C)CC(C)CR(23); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C7H14R(9)<=>C6H7R(24238)+CC(C)CC(C)CR(23) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6925; RMG #692589 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H8R(288)<=>C5H9L(24)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6926; RMG #692627 -! Template reaction: Disproportionation -! Flux pairs: C6H12L(11), CC(C)CC(C)L(25); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H12L(11)<=>C6H7R(24238)+CC(C)CC(C)L(25) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6927; RMG #692642 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C6H8R(288)<=>CCCR(27)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6928; RMG #692842 -! Template reaction: Disproportionation -! Flux pairs: C[CH]CC(C)CR(5), CCCC(C)CR(32); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C[CH]CC(C)CR(5)<=>C6H7R(24238)+CCCC(C)CR(32) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6929; RMG #692902 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C6H8R(288)<=>CC(L)CC(C)L(35)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6930; RMG #693234 -! Template reaction: Disproportionation -! Flux pairs: C8H16L(15), C8H17L(49); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C8H16L(15)<=>C6H7R(24238)+C8H17L(49) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6931; RMG #693544 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H11R(56); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10R(90)<=>C6H7R(24238)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6932; RMG #693556 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(171), C6H11R(56); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10R(171)<=>C6H7R(24238)+C6H11R(56) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6933; RMG #693585 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C6H8R(288)<=>C5H9L(57)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6934; RMG #693665 -! Template reaction: Disproportionation -! Flux pairs: C8H14L(112), C8H15L(61); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C8H14L(112)<=>C6H7R(24238)+C8H15L(61) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6935; RMG #693711 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(108), C7H13R(62); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C7H12R(108)<=>C6H7R(24238)+C7H13R(62) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6936; RMG #693745 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(103), C6H11L(63); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10L(103)<=>C6H7R(24238)+C6H11L(63) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6937; RMG #693861 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C6H8R(288)<=>C(75)+C6H7R(24238) 1.150000e+13 -0.320 0.000 - -! Reaction index: Chemkin #6938; RMG #693936 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C6H8R(288)<=>[H][H](83)+C6H7R(24238) 1.191692e+10 0.568 0.000 - -! Reaction index: Chemkin #6939; RMG #693974 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C6H8R(288)<=>C3H5L(86)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6940; RMG #694004 -! Template reaction: Disproportionation -! Flux pairs: C7H15(85), CC(C)CC(C)C(87); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C7H15(85)<=>C6H7R(24238)+CC(C)CC(C)C(87) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6941; RMG #694144 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C6H8R(288)<=>CCC(95)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6942; RMG #694148 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C6H8R(288)<=>CCC(95)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6943; RMG #694188 -! Template reaction: Disproportionation -! Flux pairs: C6H10R(90), C6H11R(98); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10R(90)<=>C6H7R(24238)+C6H11R(98) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6944; RMG #694398 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H11L(107); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10L(169)<=>C6H7R(24238)+C6H11L(107) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6945; RMG #694406 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(103), C6H11L(107); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10L(103)<=>C6H7R(24238)+C6H11L(107) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6946; RMG #694772 -! Template reaction: Disproportionation -! Flux pairs: C6H9(160), C6H10(116); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H8R(288)+C6H9(160)<=>C6H7R(24238)+C6H10(116) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6947; RMG #694827 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H8(118); C6H7(123), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H8R(288)<=>C6H7R(24238)+C6H8(118) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6948; RMG #694866 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C7H13R(120); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C7H12R(199)<=>C6H7R(24238)+C7H13R(120) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6949; RMG #694878 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(108), C7H13R(120); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C7H12R(108)<=>C6H7R(24238)+C7H13R(120) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6950; RMG #694932 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H8(125); C6H7(123), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C6H8R(288)<=>C6H7R(24238)+C6H8(125) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #6951; RMG #695623 -! Template reaction: Disproportionation -! Flux pairs: C10H14R(247), C10H14(179); C10H13(202), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C10H14R(247)<=>C10H13R(18281)+C10H14(179) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6952; RMG #695721 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C10H13(202)<=>C6H7R(24238)+C10H14(179) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6953; RMG #696972 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C11H15(234)<=>C10H13R(18281)+C11H16(229) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6954; RMG #697070 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C11H15(234)<=>C6H7R(24238)+C11H16(229) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6955; RMG #698519 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C12H15(323)<=>C10H13R(18281)+C12H16(269) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6956; RMG #698617 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C12H15(323)<=>C6H7R(24238)+C12H16(269) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6957; RMG #699443 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C11H13(298)<=>C10H13R(18281)+C11H14(276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6958; RMG #699541 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C11H13(298)<=>C6H7R(24238)+C11H14(276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6959; RMG #701828 -! Template reaction: Disproportionation -! Flux pairs: C6H10L(169), C6H11L(325); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C6H10L(169)<=>C6H7R(24238)+C6H11L(325) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6960; RMG #702030 -! Template reaction: Disproportionation -! Flux pairs: C7H12R(199), C7H13R(330); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C7H12R(199)<=>C6H7R(24238)+C7H13R(330) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6961; RMG #702781 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C6H8R(288)<=>CC(C)C(29484)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6962; RMG #704393 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C12H15(18406)<=>C6H7R(24238)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6963; RMG #705882 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C11H13(18468)<=>C6H7R(24238)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6964; RMG #706031 -! Template reaction: Disproportionation -! Flux pairs: C6H8R(288), C6H7R(24238); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C6H8R(288)<=>C4H7L(36302)+C6H7R(24238) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #6965; RMG #143919 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(58), C9H12R(18224); C6H7(239), C9H12R(18224); -! Estimated using template [Cds-CsH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-CsH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5R(58)+C6H7(239)<=>C9H12R(18224) 2.382500e+02 2.700 11.200 - -! Reaction index: Chemkin #6966; RMG #706136 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C9H12R(18224), C9H12R(38723); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R -C9H12R(18224)<=>C9H12R(38723) 1.053080e+11 0.266 5.998 - -! Reaction index: Chemkin #6967; RMG #545310 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C10H15(18437), C10H15(32869); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_N-1R!H-inRing_Sp-4R!H-3R!H_Ext-5R!H-R_2R!H-inRing_Ext-4R!H-R -C10H15(18437)<=>C10H15(32869) 1.448900e+10 1.223 13.631 - -! Reaction index: Chemkin #6968; RMG #143550 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H6(18), C9H13(18191); C6H7(239), C9H13(18191); -! Estimated using template [Cds-CsH_Cds-HH;CsJ-CdHH] for rate rule [Cds-CsH_Cds-HH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H6(18)+C6H7(239)<=>C9H13(18191) 6.850000e+01 2.840 12.200 - -! Reaction index: Chemkin #6969; RMG #179556 -! Library reaction: restart_edge -! Flux pairs: C9H13(260), C9H13(20452); -! Estimated from node Backbone3_N-Sp-4R!H=1R!H_Sp-2R!H-1R!H_Ext-5R!H-R_Ext-3R!H-R -C9H13(260)<=>C9H13(20452) 9.639880e+06 0.978 9.763 - -! Reaction index: Chemkin #6970; RMG #706775 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C9H13(18191), C9H13(20452); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R -C9H13(18191)<=>C9H13(20452) 1.053080e+11 0.266 6.120 - -! Reaction index: Chemkin #6971; RMG #706774 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C9H13(18191), C9H13(38809); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R -C9H13(18191)<=>C9H13(38809) 1.053080e+11 0.266 9.387 - -! Reaction index: Chemkin #6972; RMG #706135 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C9H12R(18224), C9H12R(38722); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_Ext-5R!H-R -C9H12R(18224)<=>C9H12R(38722) 1.053080e+11 0.266 9.229 - -! Reaction index: Chemkin #6973; RMG #148248 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18717); C6H9(160), C12H16(18717); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(160)<=>C12H16(18717) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #6974; RMG #393812 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(337)<=>C9H17LR(65)+C12H16(18717) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #6975; RMG #393813 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(337)<=>C9H17LR(69)+C12H16(18717) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #6976; RMG #393814 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6977; RMG #393815 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6978; RMG #393816 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C12H15(337)<=>C9H17LR(72)+C12H16(18717) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #6979; RMG #393817 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6980; RMG #393818 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6981; RMG #393819 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6982; RMG #393820 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C12H16(18717)<=>RC10L(1)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6983; RMG #393993 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C3H4R(78), C3H5R(12); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C12H16(18717)<=>C3H5R(12)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6984; RMG #394037 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C12H16(18717)<=>CC(C)L(13)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6985; RMG #394062 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C12H16(18717)<=>CCCC(C)L(16)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6986; RMG #394104 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H10R(171), C6H11R(17); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C12H16(18717)<=>C6H11R(17)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6987; RMG #394168 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C12H15(337)<=>C3H5(102)+C12H16(18717) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #6988; RMG #394255 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C12H16(18717)<=>CC(C)CR(20)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6989; RMG #394370 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C12H16(18717)<=>CR(22)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6990; RMG #394394 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H14R(9)+C12H16(18717)<=>CC(C)CC(C)CR(23)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6991; RMG #394446 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C5H8L(89), C5H9L(24); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C12H16(18717)<=>C5H9L(24)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #6992; RMG #394511 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C12H16(18717)<=>CC(C)CC(C)L(25)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #6993; RMG #394546 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C12H16(18717)<=>CCL(26)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6994; RMG #394567 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C12H16(18717)<=>CCCR(27)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6995; RMG #395118 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C12H16(18717)<=>CCCC(C)CR(32)+C12H15(337) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #6996; RMG #395302 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); CC(L)CC(C)L(35), C5H9L2(203); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CC(L)CC(C)L(35)+C12H15(337)<=>C5H9L2(203)+C12H16(18717) 1.390000e-02 4.340 14.900 - -! Reaction index: Chemkin #6997; RMG #396806 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H11R(56), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C12H15(337)<=>C6H10R(90)+C12H16(18717) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #6998; RMG #396809 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C12H16(18717)<=>C6H11R(56)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #6999; RMG #396880 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C12H15(337)<=>C5H8L(77)+C12H16(18717) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7000; RMG #396882 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C12H16(18717)<=>C5H9L(57)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7001; RMG #396943 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C12H16(18717)<=>C3H5R(58)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7002; RMG #396990 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C12H16(18717)<=>C3H5L(59)+C12H15(337) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #7003; RMG #397032 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C12H16(18717)<=>C4H7R(60)+C12H15(337) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #7004; RMG #397033 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C4H6R(79), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C12H16(18717)<=>C4H7R(60)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7005; RMG #397152 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C7H12R(108), C7H13R(62); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C12H16(18717)<=>C7H13R(62)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7006; RMG #397226 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H10L(103), C6H11L(63); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C12H16(18717)<=>C6H11L(63)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7007; RMG #397279 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C12H15(337)<=>CH3(74)+C12H16(18717) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #7008; RMG #397381 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C12H16(18717)<=>C4H7R(81)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7009; RMG #397432 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C5H8L(77), C5H9L(84); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(77)+C12H16(18717)<=>C5H9L(84)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7010; RMG #397483 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C3H4L(219), C3H5L(86); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4L(219)+C12H16(18717)<=>C3H5L(86)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7011; RMG #397680 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C12H15(337)<=>C[CH]C(94)+C12H16(18717) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #7012; RMG #397681 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C12H16(18717)<=>CCC(95)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7013; RMG #397708 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H10R(90), C6H11R(98); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(90)+C12H16(18717)<=>C6H11R(98)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7014; RMG #397963 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H11L(107), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C12H15(337)<=>C6H10L(169)+C12H16(18717) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7015; RMG #397965 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C12H16(18717)<=>C6H11L(107)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7016; RMG #398828 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H9(160), C6H10(116); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H9(160)+C12H16(18717)<=>C6H10(116)+C12H15(337) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #7017; RMG #398829 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C6H9(114), C6H10(116); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9(114)+C12H16(18717)<=>C6H10(116)+C12H15(337) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7018; RMG #399064 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H8(118), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(118)+C12H15(337)<=>C6H7(123)+C12H16(18717) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #7019; RMG #399065 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H8(118), C6H7(239); -! Estimated using template [C/H3/Cd;C_rad/H/CdCs] for rate rule [2_methyl_CPD;C_rad/H/CdCs] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H8(118)+C12H15(337)<=>C6H7(239)+C12H16(18717) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #7020; RMG #399149 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C7H13R(120), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C12H15(337)<=>C7H12R(199)+C12H16(18717) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7021; RMG #399152 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C7H12R(108), C7H13R(120); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C12H16(18717)<=>C7H13R(120)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7022; RMG #399238 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H8(125), C6H7(123); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(125)+C12H15(337)<=>C6H7(123)+C12H16(18717) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #7023; RMG #399407 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C4H7(156), C4H8(157); -! Estimated using template [C/H2/CdCs;C_rad/H2/Cd] for rate rule [C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2] -! Euclidian distance = 1.0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H7(156)+C12H16(18717)<=>C4H8(157)+C12H15(337) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #7024; RMG #399595 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C5H8(173), C5H7(174); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C5H8(173)+C12H15(337)<=>C5H7(174)+C12H16(18717) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #7025; RMG #400009 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C5H8(180), C5H7(178); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C5H8(180)+C12H15(337)<=>C5H7(178)+C12H16(18717) 9.160000e-03 4.340 11.700 - -! Reaction index: Chemkin #7026; RMG #400291 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C5H6(187), C5H5(189); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H6(187)+C12H15(337)<=>C5H5(189)+C12H16(18717) 1.962000e-03 4.340 6.300 - -! Reaction index: Chemkin #7027; RMG #405646 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H9R(285), C6H8R(287); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H9R(285)+C12H15(337)<=>C6H8R(287)+C12H16(18717) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #7028; RMG #406928 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C6H11L(325), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C12H15(337)<=>C6H10L(169)+C12H16(18717) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7029; RMG #406988 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); C7H13R(330), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C12H15(337)<=>C7H12R(199)+C12H16(18717) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7030; RMG #493099 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)C(399)+C12H16(18717)<=>CC(C)C(29484)+C12H15(337) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7031; RMG #682447 -! Template reaction: H_Abstraction -! Flux pairs: C12H16(18717), C12H15(337); C4H6L(1895), C4H7L(36302); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6L(1895)+C12H16(18717)<=>C4H7L(36302)+C12H15(337) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7032; RMG #706175 -! Template reaction: H_Abstraction -! Flux pairs: C12H15(337), C12H16(18717); [H][H](83), H(82); -! From training reaction 790 used for H2;C_rad/H/CdCs -! Exact match found for rate rule [H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -! Ea raised from 92.9 to 93.1 kJ/mol to match endothermicity of reaction. -[H][H](83)+C12H15(337)<=>H(82)+C12H16(18717) 4.580000e-02 4.340 22.252 - -! Reaction index: Chemkin #7033; RMG #706960 -! Template reaction: R_Recombination -! Flux pairs: C12H15(337), C12H16(18717); H(82), C12H16(18717); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -H(82)+C12H15(337)<=>C12H16(18717) 1.576430e+13 -0.222 0.000 - -! Reaction index: Chemkin #7034; RMG #707043 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C12H15(337)<=>C3H6(18)+C12H16(18717) 2.105300e+14 -0.550 0.161 - -! Reaction index: Chemkin #7035; RMG #707053 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C12H15(337)<=>C3H6(18)+C12H16(18717) 2.451708e+27 -4.376 7.519 - -! Reaction index: Chemkin #7036; RMG #707205 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C12H15(337)<=>C3H5R(12)+C12H16(18717) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #7037; RMG #707303 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C12H15(337)<=>C6H11R(17)+C12H16(18717) 1.225854e+27 -4.376 7.433 - -! Reaction index: Chemkin #7038; RMG #707325 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C12H15(337)<=>C2H3L(19)+C12H16(18717) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #7039; RMG #707421 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C12H15(337)<=>C8H15L(21)+C12H16(18717) 1.225854e+27 -4.376 7.433 - -! Reaction index: Chemkin #7040; RMG #707513 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C12H15(337)<=>C5H9L(24)+C12H16(18717) 1.225854e+27 -4.376 7.433 - -! Reaction index: Chemkin #7041; RMG #707811 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C12H15(337)<=>C6H11R(56)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7042; RMG #707861 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C12H15(337)<=>C5H9L(57)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7043; RMG #707909 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C12H15(337)<=>C3H5R(58)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7044; RMG #707931 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C12H15(337)<=>C3H5L(59)+C12H16(18717) 5.258140e+13 -0.550 0.110 - -! Reaction index: Chemkin #7045; RMG #707969 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C12H15(337)<=>C4H7R(60)+C12H16(18717) 5.258140e+13 -0.550 0.110 - -! Reaction index: Chemkin #7046; RMG #708037 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C12H15(337)<=>C8H15L(61)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7047; RMG #708093 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C12H15(337)<=>C7H13R(62)+C12H16(18717) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7048; RMG #708143 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C12H15(337)<=>C6H11L(63)+C12H16(18717) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7049; RMG #708345 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C12H15(337)<=>C4H5L(91)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7050; RMG #708761 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(337)<=>C6H8(118)+C12H16(18717) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #7051; RMG #708881 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C12H15(337)<=>C6H8(125)+C12H16(18717) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #7052; RMG #708891 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C12H15(337)<=>C6H8(125)+C12H16(18717) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #7053; RMG #708923 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C12H15(337)<=>C4H8(157)+C12H16(18717) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7054; RMG #709144 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C5H7(178), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C12H15(337)<=>C5H6(187)+C12H16(18717) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #7055; RMG #709259 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(18175), C6H7(239); C12H15(337), C12H16(18717); -! From training reaction 1131 used for C/H2/CdCd;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/CdCd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C6H8(18175)+C12H15(337)<=>C6H7(239)+C12H16(18717) 3.924000e-03 4.340 6.300 - -! Reaction index: Chemkin #7056; RMG #709275 -! Template reaction: H_Abstraction -! Flux pairs: C6H8(290), C6H7(239); C12H15(337), C12H16(18717); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H8(290)+C12H15(337)<=>C6H7(239)+C12H16(18717) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7057; RMG #709319 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H7(239), C6H6(252); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C12H15(337)<=>C6H6(252)+C12H16(18717) 1.350000e+03 2.700 0.413 - -! Reaction index: Chemkin #7058; RMG #709339 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H7(123), C6H6(252); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H7(123)+C12H15(337)<=>C6H6(252)+C12H16(18717) 1.225854e+27 -4.376 11.389 - -! Reaction index: Chemkin #7059; RMG #709373 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C12H15(337)<=>C5H7L(262)+C12H16(18717) 5.258140e+13 -0.550 0.781 - -! Reaction index: Chemkin #7060; RMG #709403 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C12H15(337)<=>C5H7L(262)+C12H16(18717) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #7061; RMG #709473 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C12H15(337)<=>C6H9R(285)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7062; RMG #709543 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H9(114), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H9(114)+C12H15(337)<=>C6H8(290)+C12H16(18717) 1.225854e+27 -4.376 11.229 - -! Reaction index: Chemkin #7063; RMG #709737 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H10R(171), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H10R(171)+C12H15(337)<=>C6H9R(1802)+C12H16(18717) 5.258140e+13 -0.550 0.781 - -! Reaction index: Chemkin #7064; RMG #709767 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H10R(90), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C6H10R(90)+C12H15(337)<=>C6H9R(1802)+C12H16(18717) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #7065; RMG #709817 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C5H9LR(138), C5H8LR(1393); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9LR(138)+C12H15(337)<=>C5H8LR(1393)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7066; RMG #709911 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C6H8R(288), C6H7R(24238); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(288)+C12H15(337)<=>C6H7R(24238)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7067; RMG #144448 -! Library reaction: restart_edge -! Flux pairs: C4H7(156), C10H14(18433); C6H7(239), C10H14(18433); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C4H7(156)+C6H7(239)<=>C10H14(18433) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #7068; RMG #179554 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]L(8), C12H18L(259); C10H14(18433), C12H18L(259); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]L(8)+C10H14(18433)<=>C12H18L(259) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #7069; RMG #263154 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C[CH]CR(10), C13H20R(281); C10H14(18433), C13H20R(281); -! From training reaction 2931 used for Cds-HH_Cds-CsCs;CsJ-CsCsH -! Exact match found for rate rule [Cds-HH_Cds-CsCs;CsJ-CsCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C[CH]CR(10)+C10H14(18433)<=>C13H20R(281) 5.575000e+02 2.470 3.895 - -! Reaction index: Chemkin #7070; RMG #545315 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C10H14(18433), C10H15(18437); H(82), C10H15(18437); -! From training reaction 2927 used for Cds-HH_Cds-CsCs;HJ -! Exact match found for rate rule [Cds-HH_Cds-CsCs;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C10H14(18433)<=>C10H15(18437) 1.691000e+10 1.168 2.996 - -! Reaction index: Chemkin #7071; RMG #709954 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(65), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(65)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.593 - -! Reaction index: Chemkin #7072; RMG #709960 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(69), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(69)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.593 - -! Reaction index: Chemkin #7073; RMG #709966 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(66), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(66)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7074; RMG #709972 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(68), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(68)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7075; RMG #709978 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(72), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(72)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.593 - -! Reaction index: Chemkin #7076; RMG #709984 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(73), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(73)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7077; RMG #709990 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(71), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(71)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7078; RMG #709996 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(67), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(67)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7079; RMG #710002 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C9H17LR(70), RC10L(1); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C9H17LR(70)+C10H15(18437)<=>RC10L(1)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7080; RMG #710056 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C10H20R(64)<=>C10H14(18433)+RC10(2) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7081; RMG #710110 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C10H20L(76)<=>C10H14(18433)+LC10(3) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7082; RMG #710142 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4R(78)+C10H15(18437)<=>C3H5R(12)+C10H14(18433) 2.451708e+27 -4.376 6.892 - -! Reaction index: Chemkin #7083; RMG #710182 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)L(4)+C10H15(18437)<=>CC(C)L(13)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7084; RMG #710200 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)L(7)+C10H15(18437)<=>CCCC(C)L(16)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7085; RMG #710224 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(171)+C10H15(18437)<=>C6H11R(17)+C10H14(18433) 2.451708e+27 -4.376 7.020 - -! Reaction index: Chemkin #7086; RMG #710270 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 12.0 -C3H5(102)+C10H15(18437)<=>C3H6(18)+C10H14(18433) 6.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7087; RMG #710344 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)CR(6)+C10H15(18437)<=>CC(C)CR(20)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7088; RMG #710414 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]R(14)+C10H15(18437)<=>CR(22)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7089; RMG #710450 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H14R(9)+C10H15(18437)<=>CC(C)CC(C)CR(23)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7090; RMG #710462 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(89)+C10H15(18437)<=>C5H9L(24)+C10H14(18433) 2.451708e+27 -4.376 7.020 - -! Reaction index: Chemkin #7091; RMG #710520 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H12L(11)+C10H15(18437)<=>CC(C)CC(C)L(25)+C10H14(18433) 2.451708e+27 -4.376 3.813 - -! Reaction index: Chemkin #7092; RMG #710538 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]L(8)+C10H15(18437)<=>CCL(26)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7093; RMG #710544 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CR(10)+C10H15(18437)<=>CCCR(27)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7094; RMG #710874 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]CC(C)CR(5)+C10H15(18437)<=>CCCC(C)CR(32)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7095; RMG #711024 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H9L2(203)+C10H15(18437)<=>CC(L)CC(C)L(35)+C10H14(18433) 2.451708e+27 -4.376 4.593 - -! Reaction index: Chemkin #7096; RMG #711930 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C8H16L(15)+C10H15(18437)<=>C8H17L(49)+C10H14(18433) 2.451708e+27 -4.376 4.251 - -! Reaction index: Chemkin #7097; RMG #712026 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(90)+C10H15(18437)<=>C6H11R(56)+C10H14(18433) 2.451708e+27 -4.376 7.329 - -! Reaction index: Chemkin #7098; RMG #712044 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(171)+C10H15(18437)<=>C6H11R(56)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7099; RMG #712078 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C10H15(18437)<=>C5H9L(57)+C10H14(18433) 2.451708e+27 -4.376 7.329 - -! Reaction index: Chemkin #7100; RMG #712090 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(89)+C10H15(18437)<=>C5H9L(57)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7101; RMG #712124 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4R(78)+C10H15(18437)<=>C3H5R(58)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7102; RMG #712158 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C3H4L(147)+C10H15(18437)<=>C3H5L(59)+C10H14(18433) 4.903416e+27 -4.376 6.234 - -! Reaction index: Chemkin #7103; RMG #712186 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C4H6R(224)+C10H15(18437)<=>C4H7R(60)+C10H14(18433) 4.903416e+27 -4.376 6.234 - -! Reaction index: Chemkin #7104; RMG #712192 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(79)+C10H15(18437)<=>C4H7R(60)+C10H14(18433) 2.451708e+27 -4.376 6.892 - -! Reaction index: Chemkin #7105; RMG #712220 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C8H14L(112)+C10H15(18437)<=>C8H15L(61)+C10H14(18433) 2.451708e+27 -4.376 7.329 - -! Reaction index: Chemkin #7106; RMG #712290 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(108)+C10H15(18437)<=>C7H13R(62)+C10H14(18433) 2.451708e+27 -4.376 7.020 - -! Reaction index: Chemkin #7107; RMG #712342 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(103)+C10H15(18437)<=>C6H11L(63)+C10H14(18433) 2.451708e+27 -4.376 7.020 - -! Reaction index: Chemkin #7108; RMG #712382 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); CH3(74), C(75); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -CH3(74)+C10H15(18437)<=>C(75)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7109; RMG #712532 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6R(79)+C10H15(18437)<=>C4H7R(81)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7110; RMG #712560 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); H(82), [H][H](83); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_N-4R->C -! Multiplied by reaction path degeneracy 6.0 -H(82)+C10H15(18437)<=>[H][H](83)+C10H14(18433) 4.338000e+13 0.000 2.542 - -! Reaction index: Chemkin #7111; RMG #712566 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C5H8L(77)+C10H15(18437)<=>C5H9L(84)+C10H14(18433) 2.451708e+27 -4.376 7.008 - -! Reaction index: Chemkin #7112; RMG #712606 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C3H4L(219)+C10H15(18437)<=>C3H5L(86)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7113; RMG #712670 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C7H15(85)+C10H15(18437)<=>CC(C)CC(C)C(87)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7114; RMG #712788 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C10H15(18437)<=>CCC(95)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7115; RMG #712794 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]CC(195)+C10H15(18437)<=>CCC(95)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7116; RMG #712800 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10R(90)+C10H15(18437)<=>C6H11R(98)+C10H14(18433) 2.451708e+27 -4.376 7.008 - -! Reaction index: Chemkin #7117; RMG #713027 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(169)+C10H15(18437)<=>C6H11L(107)+C10H14(18433) 2.451708e+27 -4.376 7.329 - -! Reaction index: Chemkin #7118; RMG #713039 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(103)+C10H15(18437)<=>C6H11L(107)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7119; RMG #713101 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(113)+C10H15(18437)<=>C6H10(110)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7120; RMG #713315 -! Template reaction: H_Abstraction -! Flux pairs: C6H10(110), C6H9(113); C12H15(337), C12H16(18717); -! Estimated using an average for rate rule [C/H3/Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C6H10(110)+C12H15(337)<=>C6H9(113)+C12H16(18717) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #7121; RMG #713548 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H9(160)+C10H15(18437)<=>C6H10(116)+C10H14(18433) 4.903416e+27 -4.376 7.596 - -! Reaction index: Chemkin #7122; RMG #713554 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H9(114)+C10H15(18437)<=>C6H10(116)+C10H14(18433) 2.451708e+27 -4.376 7.596 - -! Reaction index: Chemkin #7123; RMG #713684 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H7(123)+C10H15(18437)<=>C6H8(118)+C10H14(18433) 4.903416e+27 -4.376 6.989 - -! Reaction index: Chemkin #7124; RMG #713690 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(239)+C10H15(18437)<=>C6H8(118)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7125; RMG #713746 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(199)+C10H15(18437)<=>C7H13R(120)+C10H14(18433) 2.451708e+27 -4.376 7.329 - -! Reaction index: Chemkin #7126; RMG #713764 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(108)+C10H15(18437)<=>C7H13R(120)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7127; RMG #713792 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C6H7(123)+C10H15(18437)<=>C6H8(125)+C10H14(18433) 4.903416e+27 -4.376 7.071 - -! Reaction index: Chemkin #7128; RMG #714026 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 12.0 -C4H7(156)+C10H15(18437)<=>C4H8(157)+C10H14(18433) 6.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7129; RMG #714192 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 12.0 -C5H7(174)+C10H15(18437)<=>C5H8(173)+C10H14(18433) 6.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7130; RMG #714345 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(179); C10H13(202), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H13(202)+C10H15(18437)<=>C10H14(18433)+C10H14(179) 2.451708e+27 -4.376 7.657 - -! Reaction index: Chemkin #7131; RMG #714441 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 12.0 -C5H7(178)+C10H15(18437)<=>C5H8(180)+C10H14(18433) 4.903416e+27 -4.376 7.596 - -! Reaction index: Chemkin #7132; RMG #714557 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 30.0 -C5H5(189)+C10H15(18437)<=>C5H6(187)+C10H14(18433) 1.225854e+28 -4.376 6.973 - -! Reaction index: Chemkin #7133; RMG #714691 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C8H13(191), C8H12(194); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H13(191)+C12H15(337)<=>C8H12(194)+C12H16(18717) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #7134; RMG #715463 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C11H15(234)<=>C10H14(18433)+C11H16(229) 2.451708e+27 -4.376 7.596 - -! Reaction index: Chemkin #7135; RMG #715681 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H14R(316), C10H13R(240); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H14R(316)+C12H15(337)<=>C10H13R(240)+C12H16(18717) 1.225854e+27 -4.376 7.443 - -! Reaction index: Chemkin #7136; RMG #716891 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C12H15(323)<=>C10H14(18433)+C12H16(269) 2.451708e+27 -4.376 7.657 - -! Reaction index: Chemkin #7137; RMG #717297 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C9H13(260), C9H12(272); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(260)+C12H15(337)<=>C9H12(272)+C12H16(18717) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #7138; RMG #717735 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C11H13(298)<=>C10H14(18433)+C11H14(276) 2.451708e+27 -4.376 7.657 - -! Reaction index: Chemkin #7139; RMG #717863 -! Template reaction: Disproportionation -! Flux pairs: C12H15(22038), C12H16(18717); C12H15(337), C12H14(277); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C12H15(337)+C12H15(22038)<=>C12H14(277)+C12H16(18717) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #7140; RMG #718059 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H8R(287)+C10H15(18437)<=>C6H9R(285)+C10H14(18433) 2.451708e+27 -4.376 8.172 - -! Reaction index: Chemkin #7141; RMG #718144 -! Template reaction: H_Abstraction -! Flux pairs: C6H9R(1802), C6H8R(287); C12H15(337), C12H16(18717); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H9R(1802)+C12H15(337)<=>C6H8R(287)+C12H16(18717) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7142; RMG #718238 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(239)+C10H15(18437)<=>C6H8(290)+C10H14(18433) 2.451708e+27 -4.376 9.002 - -! Reaction index: Chemkin #7143; RMG #718742 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H10L(169)+C10H15(18437)<=>C6H11L(325)+C10H14(18433) 2.451708e+27 -4.376 7.370 - -! Reaction index: Chemkin #7144; RMG #718782 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C7H12R(199)+C10H15(18437)<=>C7H13R(330)+C10H14(18433) 2.451708e+27 -4.376 7.370 - -! Reaction index: Chemkin #7145; RMG #719162 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-2R!H-R_2R!H->C_4R->C -! Multiplied by reaction path degeneracy 6.0 -[CH2]C(C)C(399)+C10H15(18437)<=>CC(C)C(29484)+C10H14(18433) 3.000000e+11 0.000 0.000 - -! Reaction index: Chemkin #7146; RMG #719672 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C9H13(311), C9H12(18323); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H13(311)+C12H15(337)<=>C9H12(18323)+C12H16(18717) 1.225854e+27 -4.376 7.628 - -! Reaction index: Chemkin #7147; RMG #720028 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H7(239)+C10H15(18437)<=>C6H8(18175)+C10H14(18433) 2.451708e+27 -4.376 10.193 - -! Reaction index: Chemkin #7148; RMG #720166 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C9H12R(18225), C9H11R(18275); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12R(18225)+C12H15(337)<=>C9H11R(18275)+C12H16(18717) 1.225854e+27 -4.376 7.301 - -! Reaction index: Chemkin #7149; RMG #720564 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H14R(316), C10H13R(18283); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(316)+C12H15(337)<=>C10H13R(18283)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7150; RMG #721024 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C12H15(18406)<=>C10H14(18433)+C12H16(18680) 2.451708e+27 -4.376 7.657 - -! Reaction index: Chemkin #7151; RMG #721948 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C9H12L(293), C9H11L(18431); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C9H12L(293)+C12H15(337)<=>C9H11L(18431)+C12H16(18717) 1.225854e+27 -4.376 7.443 - -! Reaction index: Chemkin #7152; RMG #722746 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H14R(18285), C10H13R(18278); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H14R(18285)+C12H15(337)<=>C10H13R(18278)+C12H16(18717) 2.451708e+27 -4.376 7.511 - -! Reaction index: Chemkin #7153; RMG #722992 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C11H13(18468)<=>C10H14(18433)+C11H14(18772) 2.451708e+27 -4.376 7.657 - -! Reaction index: Chemkin #7154; RMG #723088 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C6H8R(287)+C10H15(18437)<=>C6H9R(1802)+C10H14(18433) 2.451708e+27 -4.376 8.853 - -! Reaction index: Chemkin #7155; RMG #723224 -! Template reaction: Disproportionation -! Flux pairs: C10H15(18437), C10H14(18433); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C4H6L(1895)+C10H15(18437)<=>C4H7L(36302)+C10H14(18433) 2.451708e+27 -4.376 6.234 - -! Reaction index: Chemkin #7156; RMG #723354 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H14R(247), C10H13R(18281); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C10H14R(247)+C12H15(337)<=>C10H13R(18281)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7157; RMG #723602 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H15(18437), C10H14(18433); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C10H15(18437)+C12H15(337)<=>C10H14(18433)+C12H16(18717) 2.451708e+27 -4.376 7.596 - -! Reaction index: Chemkin #7158; RMG #143508 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(12), C9H12R(18184); C6H7(239), C9H12R(18184); -! Estimated using an average for rate rule [Cds-HH_Cds-CsH;CsJ-CdCsH] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -C3H5R(12)+C6H7(239)<=>C9H12R(18184) 3.860000e+03 2.410 11.370 - -! Reaction index: Chemkin #7159; RMG #186651 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(65), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(65)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7160; RMG #186657 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(69), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(69)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7161; RMG #186663 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(66), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(66)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7162; RMG #186669 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(68), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(68)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7163; RMG #186675 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(72), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(72)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7164; RMG #186681 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(73), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(73)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7165; RMG #186687 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(71), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(71)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7166; RMG #186693 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(67), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(67)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7167; RMG #186699 -! Library reaction: restart_edge -! Flux pairs: C9H17LR(70), RC10L(1); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C9H17LR(70)<=>C9H11R(263)+RC10L(1) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7168; RMG #186753 -! Library reaction: restart_edge -! Flux pairs: C10H20R(64), RC10(2); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C10H20R(64)<=>C9H11R(263)+RC10(2) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7169; RMG #186807 -! Library reaction: restart_edge -! Flux pairs: C10H20L(76), LC10(3); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C10H20L(76)<=>C9H11R(263)+LC10(3) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7170; RMG #186813 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C9H12R(18184)<=>C3H5R(12)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7171; RMG #186853 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C9H12R(18184)<=>CC(C)L(13)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7172; RMG #186871 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H12R(18184)<=>CCCC(C)L(16)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7173; RMG #186895 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C9H12R(18184)<=>C6H11R(17)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7174; RMG #186941 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C9H12R(18184)<=>C3H6(18)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7175; RMG #187015 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C9H12R(18184)<=>CC(C)CR(20)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7176; RMG #187085 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C9H12R(18184)<=>CR(22)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7177; RMG #187121 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C9H12R(18184)<=>CC(C)CC(C)CR(23)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7178; RMG #187133 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C9H12R(18184)<=>C5H9L(24)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7179; RMG #187191 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C9H12R(18184)<=>CC(C)CC(C)L(25)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7180; RMG #187209 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C9H12R(18184)<=>CCL(26)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7181; RMG #187215 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H12R(18184)<=>CCCR(27)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7182; RMG #187245 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H12R(18184)<=>CCCC(C)CR(32)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7183; RMG #187269 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H12R(18184)<=>C6H11R(56)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7184; RMG #187287 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C9H12R(18184)<=>C6H11R(56)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7185; RMG #187321 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C9H12R(18184)<=>C5H9L(57)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7186; RMG #187333 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C9H12R(18184)<=>C5H9L(57)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7187; RMG #187367 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C9H12R(18184)<=>C3H5R(58)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7188; RMG #187401 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C9H12R(18184)<=>C3H5L(59)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7189; RMG #187429 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C9H12R(18184)<=>C4H7R(60)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7190; RMG #187435 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C9H12R(18184)<=>C4H7R(60)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7191; RMG #187463 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C9H12R(18184)<=>C8H15L(61)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7192; RMG #187533 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C9H12R(18184)<=>C7H13R(62)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7193; RMG #187585 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C9H12R(18184)<=>C6H11L(63)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7194; RMG #187625 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C9H12R(18184)<=>C(75)+C9H11R(263) 1.150000e+13 -0.320 0.000 -DUPLICATE - -! Reaction index: Chemkin #7195; RMG #187629 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -! Multiplied by reaction path degeneracy 2.0 -CH3(74)+C9H12R(18184)<=>C(75)+C9H11R(263) 9.124700e+12 -0.160 0.000 -DUPLICATE - -! Reaction index: Chemkin #7196; RMG #187635 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C9H12R(18184)<=>C4H7R(81)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7197; RMG #187663 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C9H12R(18184)<=>[H][H](83)+C9H11R(263) 1.191690e+10 0.568 0.000 - -! Reaction index: Chemkin #7198; RMG #187670 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C9H12R(18184)<=>C5H9L(84)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7199; RMG #187710 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H12R(18184)<=>C6H11R(98)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7200; RMG #187756 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C9H12R(18184)<=>C6H11L(107)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7201; RMG #187768 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C9H12R(18184)<=>C6H11L(107)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7202; RMG #187802 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C9H12R(18184)<=>C6H10(110)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7203; RMG #187858 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C9H12R(18184)<=>C7H13R(120)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7204; RMG #187876 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C9H12R(18184)<=>C7H13R(120)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7205; RMG #188090 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C9H12R(18184)<=>CC(L)CC(C)L(35)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7206; RMG #188312 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H12R(18184)<=>C8H17L(49)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7207; RMG #188374 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C9H12R(18184)<=>C3H5L(86)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7208; RMG #188420 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C9H12R(18184)<=>CC(C)CC(C)C(87)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7209; RMG #188482 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C9H12R(18184)<=>CCC(95)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7210; RMG #188488 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H12R(18184)<=>CCC(95)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7211; RMG #188692 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H12R(18184)<=>C6H10(116)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7212; RMG #188698 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H12R(18184)<=>C6H10(116)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7213; RMG #188732 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C9H12R(18184)<=>C6H8(118)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7214; RMG #188738 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H12R(18184)<=>C6H8(118)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7215; RMG #188794 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C9H12R(18184)<=>C6H8(125)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7216; RMG #188856 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C9H12R(18184)<=>C4H8(157)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7217; RMG #188952 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C9H12R(18184)<=>C5H8(173)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7218; RMG #189020 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H12R(18184)<=>C5H8(180)+C9H11R(263) 3.095870e+12 0.025 0.000 - -! Reaction index: Chemkin #7219; RMG #189040 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C9H12R(18184)<=>C5H6(187)+C9H11R(263) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #7220; RMG #193817 -! Library reaction: restart_edge -! Flux pairs: C10H13(202), C10H14(179); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C10H13(202)<=>C9H11R(263)+C10H14(179) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7221; RMG #194511 -! Library reaction: restart_edge -! Flux pairs: C11H15(234), C11H16(229); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C11H15(234)<=>C9H11R(263)+C11H16(229) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7222; RMG #259266 -! Library reaction: restart_edge -! Flux pairs: C12H15(323), C12H16(269); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C12H15(323)<=>C9H11R(263)+C12H16(269) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7223; RMG #259590 -! Library reaction: restart_edge -! Flux pairs: C11H13(298), C11H14(276); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C11H13(298)<=>C9H11R(263)+C11H14(276) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7224; RMG #269475 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C9H12R(18184)<=>C6H9R(285)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7225; RMG #279454 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H12R(18184)<=>C6H8(290)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7226; RMG #349319 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C9H12R(18184)<=>C6H11L(325)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7227; RMG #370713 -! Library reaction: restart_edge -! Flux pairs: C9H12R(18184), C9H11R(263); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C9H12R(18184)<=>C7H13R(330)+C9H11R(263) 1.547940e+12 0.025 0.000 - -! Reaction index: Chemkin #7228; RMG #409583 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18184), C9H11R(263); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C9H12R(18184)<=>CC(C)C(29484)+C9H11R(263) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7229; RMG #467736 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18184), C9H11R(263); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H12R(18184)<=>C6H8(18175)+C9H11R(263) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7230; RMG #524069 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C12H15(18406)<=>C9H11R(263)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7231; RMG #638035 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C11H13(18468)<=>C9H11R(263)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7232; RMG #653677 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18184), C9H11R(263); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C9H12R(18184)<=>C6H9R(1802)+C9H11R(263) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7233; RMG #680618 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18184), C9H11R(263); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H12R(18184)<=>C4H7L(36302)+C9H11R(263) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7234; RMG #716249 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C9H12R(18184), C9H11R(263); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18184)+C12H15(337)<=>C9H11R(263)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7235; RMG #723740 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C9H11R(263), C9H12R(18184); H(82), C9H12R(18184); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C9H11R(263)<=>C9H12R(18184) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #7236; RMG #724611 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H15(183), C10H14(184); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C10H15(183)+C12H15(337)<=>C10H14(184)+C12H16(18717) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #7237; RMG #724759 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C10H13(202), C10H12(201); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C10H13(202)+C12H15(337)<=>C10H12(201)+C12H16(18717) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #7238; RMG #725461 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C11H15(18464), C11H14(246); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(18464)+C12H15(337)<=>C11H14(246)+C12H16(18717) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #7239; RMG #725725 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C12H15(18389), C12H14(257); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C12H15(18389)+C12H15(337)<=>C12H14(257)+C12H16(18717) 1.225854e+27 -4.376 11.307 - -! Reaction index: Chemkin #7240; RMG #726353 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C11H15(256), C11H14(271); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H15(256)+C12H15(337)<=>C11H14(271)+C12H16(18717) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #7241; RMG #728803 -! Template reaction: Disproportionation -! Flux pairs: C12H17(266), C12H16(18717); C12H15(337), C12H16(18380); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C12H15(337)+C12H17(266)<=>C12H16(18380)+C12H16(18717) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #7242; RMG #729421 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C11H17(238), C11H16(11281); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H17(238)+C12H15(337)<=>C11H16(11281)+C12H16(18717) 1.225854e+27 -4.376 10.059 - -! Reaction index: Chemkin #7243; RMG #729431 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C11H17(181), C11H16(11281); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C11H17(181)+C12H15(337)<=>C11H16(11281)+C12H16(18717) 1.225854e+27 -4.376 10.255 - -! Reaction index: Chemkin #7244; RMG #322092 -! Library reaction: restart_edge -! Flux pairs: C9H13(311), C9H13(26444); -! Estimated from node Backbone2_N-Sp-3R!H=1R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-4R!H-R_Sp-7R!H=6R!H -C9H13(311)<=>C9H13(26444) 2.296220e+09 0.980 14.394 - -! Reaction index: Chemkin #7245; RMG #143499 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C3H5R(12), C9H12R(18180); C6H7(239), C9H12R(18180); -! Estimated using template [Cds-HH_Cds-CsH;CsJ-CdHH] for rate rule [Cds-HH_Cds-CsH;CsJ-(CdC)HH] -! Euclidian distance = 1.0 -! family: R_Addition_MultipleBond -C3H5R(12)+C6H7(239)<=>C9H12R(18180) 6.550000e+02 2.620 10.900 - -! Reaction index: Chemkin #7246; RMG #410558 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(65), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(65)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7247; RMG #410564 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(69), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(69)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7248; RMG #410570 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(66), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(66)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7249; RMG #410576 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(68), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(68)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7250; RMG #410582 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(72), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(72)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7251; RMG #410588 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(73), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(73)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7252; RMG #410594 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(71), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(71)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7253; RMG #410600 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(67), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(67)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7254; RMG #410606 -! Template reaction: Disproportionation -! Flux pairs: C9H17LR(70), RC10L(1); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C9H17LR(70)<=>C9H11R(18276)+RC10L(1) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7255; RMG #410660 -! Template reaction: Disproportionation -! Flux pairs: C10H20R(64), RC10(2); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C10H20R(64)<=>C9H11R(18276)+RC10(2) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7256; RMG #410714 -! Template reaction: Disproportionation -! Flux pairs: C10H20L(76), LC10(3); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C10H20L(76)<=>C9H11R(18276)+LC10(3) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7257; RMG #410720 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4R(78), C3H5R(12); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C9H12R(18180)<=>C3H5R(12)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7258; RMG #410760 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]C(C)L(4), CC(C)L(13); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)L(4)+C9H12R(18180)<=>CC(C)L(13)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7259; RMG #410778 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C9H12R(18180)<=>CCCC(C)L(16)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7260; RMG #410802 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(171), C6H11R(17); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C9H12R(18180)<=>C6H11R(17)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7261; RMG #410848 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C3H5(102), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H5(102)+C9H12R(18180)<=>C3H6(18)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7262; RMG #410922 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)CR(6)+C9H12R(18180)<=>CC(C)CR(20)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7263; RMG #410992 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]R(14), CR(22); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]R(14)+C9H12R(18180)<=>CR(22)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7264; RMG #411028 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C7H14R(9), CC(C)CC(C)CR(23); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H14R(9)+C9H12R(18180)<=>CC(C)CC(C)CR(23)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7265; RMG #411040 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(89), C5H9L(24); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C9H12R(18180)<=>C5H9L(24)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7266; RMG #411098 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H12L(11), CC(C)CC(C)L(25); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H12L(11)+C9H12R(18180)<=>CC(C)CC(C)L(25)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7267; RMG #411116 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]L(8), CCL(26); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]L(8)+C9H12R(18180)<=>CCL(26)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7268; RMG #411122 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]CR(10), CCCR(27); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C9H12R(18180)<=>CCCR(27)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7269; RMG #411152 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C9H12R(18180)<=>CCCC(C)CR(32)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7270; RMG #411176 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(90), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H12R(18180)<=>C6H11R(56)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7271; RMG #411194 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(171), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(171)+C9H12R(18180)<=>C6H11R(56)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7272; RMG #411228 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(77), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C9H12R(18180)<=>C5H9L(57)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7273; RMG #411240 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(89), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(89)+C9H12R(18180)<=>C5H9L(57)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7274; RMG #411274 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4R(78), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4R(78)+C9H12R(18180)<=>C3H5R(58)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7275; RMG #411308 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4L(147), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C3H4L(147)+C9H12R(18180)<=>C3H5L(59)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7276; RMG #411336 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6R(224), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H6R(224)+C9H12R(18180)<=>C4H7R(60)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7277; RMG #411342 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6R(79), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C9H12R(18180)<=>C4H7R(60)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7278; RMG #411370 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C8H14L(112), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H14L(112)+C9H12R(18180)<=>C8H15L(61)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7279; RMG #411440 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(108), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C9H12R(18180)<=>C7H13R(62)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7280; RMG #411492 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(103), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C9H12R(18180)<=>C6H11L(63)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7281; RMG #411532 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); CH3(74), C(75); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -CH3(74)+C9H12R(18180)<=>C(75)+C9H11R(18276) 1.150000e+13 -0.320 0.000 - -! Reaction index: Chemkin #7282; RMG #411538 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6R(79), C4H7R(81); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6R(79)+C9H12R(18180)<=>C4H7R(81)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7283; RMG #411566 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); H(82), [H][H](83); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -! Multiplied by reaction path degeneracy 2.0 -H(82)+C9H12R(18180)<=>[H][H](83)+C9H11R(18276) 1.191692e+10 0.568 0.000 - -! Reaction index: Chemkin #7284; RMG #411572 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H8L(77), C5H9L(84); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H8L(77)+C9H12R(18180)<=>C5H9L(84)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7285; RMG #411612 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C3H4L(219), C3H5L(86); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C3H4L(219)+C9H12R(18180)<=>C3H5L(86)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7286; RMG #411658 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C7H15(85), CC(C)CC(C)C(87); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H15(85)+C9H12R(18180)<=>CC(C)CC(C)C(87)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7287; RMG #411720 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C[CH]C(94), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]C(94)+C9H12R(18180)<=>CCC(95)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7288; RMG #411726 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]CC(195), CCC(95); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C9H12R(18180)<=>CCC(95)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7289; RMG #411732 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10R(90), C6H11R(98); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C9H12R(18180)<=>C6H11R(98)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7290; RMG #411834 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(169), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C9H12R(18180)<=>C6H11L(107)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7291; RMG #411846 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(103), C6H11L(107); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(103)+C9H12R(18180)<=>C6H11L(107)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7292; RMG #411880 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H9(113), C6H10(110); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(113)+C9H12R(18180)<=>C6H10(110)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7293; RMG #411942 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H9(160), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C9H12R(18180)<=>C6H10(116)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7294; RMG #411948 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H9(114), C6H10(116); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C9H12R(18180)<=>C6H10(116)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7295; RMG #411982 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(199), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C9H12R(18180)<=>C7H13R(120)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7296; RMG #412000 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(108), C7H13R(120); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(108)+C9H12R(18180)<=>C7H13R(120)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7297; RMG #412028 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C4H7(156), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C4H7(156)+C9H12R(18180)<=>C4H8(157)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7298; RMG #412056 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H7(174), C5H8(173); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(174)+C9H12R(18180)<=>C5H8(173)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7299; RMG #412124 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H7(178), C5H8(180); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C5H7(178)+C9H12R(18180)<=>C5H8(180)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7300; RMG #412214 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H10L(169), C6H11L(325); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10L(169)+C9H12R(18180)<=>C6H11L(325)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7301; RMG #412260 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); [CH2]C(C)C(399), CC(C)C(29484); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]C(C)C(399)+C9H12R(18180)<=>CC(C)C(29484)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7302; RMG #412398 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H9L2(203), CC(L)CC(C)L(35); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C5H9L2(203)+C9H12R(18180)<=>CC(L)CC(C)L(35)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7303; RMG #412824 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C8H16L(15), C8H17L(49); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C9H12R(18180)<=>C8H17L(49)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7304; RMG #413188 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(123), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C9H12R(18180)<=>C6H8(118)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7305; RMG #413194 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(239), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H12R(18180)<=>C6H8(118)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7306; RMG #413250 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(123), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 4.0 -C6H7(123)+C9H12R(18180)<=>C6H8(125)+C9H11R(18276) 3.095872e+12 0.025 0.000 - -! Reaction index: Chemkin #7307; RMG #413504 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C5H5(189), C5H6(187); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 10.0 -C5H5(189)+C9H12R(18180)<=>C5H6(187)+C9H11R(18276) 7.739680e+12 0.025 0.000 - -! Reaction index: Chemkin #7308; RMG #414728 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H8R(287), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C9H12R(18180)<=>C6H9R(285)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7309; RMG #414860 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(239), C6H8(290); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H12R(18180)<=>C6H8(290)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7310; RMG #415396 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C7H12R(199), C7H13R(330); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C7H12R(199)+C9H12R(18180)<=>C7H13R(330)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7311; RMG #418986 -! Template reaction: Disproportionation -! Flux pairs: C10H13(202), C10H14(179); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C10H13(202)<=>C9H11R(18276)+C10H14(179) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7312; RMG #429327 -! Template reaction: Disproportionation -! Flux pairs: C11H15(234), C11H16(229); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C11H15(234)<=>C9H11R(18276)+C11H16(229) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7313; RMG #437007 -! Template reaction: Disproportionation -! Flux pairs: C12H15(323), C12H16(269); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C12H15(323)<=>C9H11R(18276)+C12H16(269) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7314; RMG #437891 -! Template reaction: Disproportionation -! Flux pairs: C11H13(298), C11H14(276); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C11H13(298)<=>C9H11R(18276)+C11H14(276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7315; RMG #469682 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H7(239), C6H8(18175); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C9H12R(18180)<=>C6H8(18175)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7316; RMG #510360 -! Template reaction: Disproportionation -! Flux pairs: C12H15(18406), C12H16(18680); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C12H15(18406)<=>C9H11R(18276)+C12H16(18680) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7317; RMG #643904 -! Template reaction: Disproportionation -! Flux pairs: C11H13(18468), C11H14(18772); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C11H13(18468)<=>C9H11R(18276)+C11H14(18772) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7318; RMG #656490 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C6H8R(287), C6H9R(1802); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H8R(287)+C9H12R(18180)<=>C6H9R(1802)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7319; RMG #682544 -! Template reaction: Disproportionation -! Flux pairs: C9H12R(18180), C9H11R(18276); C4H6L(1895), C4H7L(36302); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C9H12R(18180)<=>C4H7L(36302)+C9H11R(18276) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7320; RMG #719264 -! Template reaction: Disproportionation -! Flux pairs: C12H15(337), C12H16(18717); C9H12R(18180), C9H11R(18276); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C9H12R(18180)+C12H15(337)<=>C9H11R(18276)+C12H16(18717) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7321; RMG #729745 -! Template reaction: R_Addition_MultipleBond -! Flux pairs: C9H11R(18276), C9H12R(18180); H(82), C9H12R(18180); -! From training reaction 2935 used for Cds-CsH_Cds-CsH;HJ -! Exact match found for rate rule [Cds-CsH_Cds-CsH;HJ] -! Euclidian distance = 0 -! family: R_Addition_MultipleBond -H(82)+C9H11R(18276)<=>C9H12R(18180) 8.892000e+09 1.073 2.175 - -! Reaction index: Chemkin #7322; RMG #729742 -! Template reaction: Intra_R_Add_Endocyclic -! Flux pairs: C9H12R(18180), C9H12R(39454); -! Estimated from node Backbone4_1R!H-inRing_Sp-2R!H-1R!H_Sp-6R!H-5R!H_N-5R!H-inRing -C9H12R(18180)<=>C9H12R(39454) 1.260000e+11 0.160 6.026 - -! Reaction index: Chemkin #7323; RMG #144700 -! Library reaction: restart_edge -! Flux pairs: C4H6R(224), C10H13R(18540); C6H7(239), C10H13R(18540); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -! Multiplied by reaction path degeneracy 2.0 -C4H6R(224)+C6H7(239)<=>C10H13R(18540) 3.535860e+16 -1.003 0.000 - -! Reaction index: Chemkin #7324; RMG #148266 -! Library reaction: restart_edge -! Flux pairs: C6H7(239), C12H16(18724); C6H9(161), C12H16(18724); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -! Multiplied by reaction path degeneracy 2.0 -C6H7(239)+C6H9(161)<=>C12H16(18724) 6.962580e+13 -0.158 0.000 - -! Reaction index: Chemkin #7325; RMG #263175 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); RC10L(1), C9H17LR(65); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H12L(282)<=>C9H17LR(65)+C10H13L(22766) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #7326; RMG #263176 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); RC10L(1), C9H17LR(69); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H12L(282)<=>C9H17LR(69)+C10H13L(22766) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #7327; RMG #263177 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(66), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(66)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7328; RMG #263178 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(68), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(68)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7329; RMG #263179 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); RC10L(1), C9H17LR(72); -! From training reaction 957 used for C/H/Cs3;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs3;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -RC10L(1)+C10H12L(282)<=>C9H17LR(72)+C10H13L(22766) 6.950000e-03 4.340 14.900 - -! Reaction index: Chemkin #7330; RMG #263180 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(73), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(73)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7331; RMG #263181 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(71), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(71)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7332; RMG #263182 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(67), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(67)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7333; RMG #263183 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C9H17LR(70), RC10L(1); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C9H17LR(70)+C10H13L(22766)<=>RC10L(1)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7334; RMG #263189 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C3H5R(12), C3H4R(78); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H5R(12)+C10H12L(282)<=>C3H4R(78)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7335; RMG #263199 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C3H6(18), C3H5(102); -! From training reaction 1000 used for C/H3/Cd\H_Cd\H2;C_rad/H/CdCs -! Exact match found for rate rule [C/H3/Cd\H_Cd\H2;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 3.0 -! family: H_Abstraction -C3H6(18)+C10H12L(282)<=>C3H5(102)+C10H13L(22766) 2.691000e-03 4.340 14.300 - -! Reaction index: Chemkin #7336; RMG #263213 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]R(14), CR(22); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]R(14)+C10H13L(22766)<=>CR(22)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7337; RMG #263217 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]L(8), CCL(26); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]L(8)+C10H13L(22766)<=>CCL(26)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7338; RMG #263221 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]CR(10), CCCR(27); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CR(10)+C10H13L(22766)<=>CCCR(27)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7339; RMG #263232 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H11R(56), C6H10R(90); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11R(56)+C10H12L(282)<=>C6H10R(90)+C10H13L(22766) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7340; RMG #263235 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C6H10R(171), C6H11R(56); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10R(171)+C10H13L(22766)<=>C6H11R(56)+C10H12L(282) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7341; RMG #263247 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C5H9L(57), C5H8L(77); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C5H9L(57)+C10H12L(282)<=>C5H8L(77)+C10H13L(22766) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7342; RMG #263249 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C5H8L(89), C5H9L(57); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H8L(89)+C10H13L(22766)<=>C5H9L(57)+C10H12L(282) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7343; RMG #263259 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C3H4R(78), C3H5R(58); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd\H_Cd\H2] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C3H4R(78)+C10H13L(22766)<=>C3H5R(58)+C10H12L(282) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7344; RMG #263268 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C3H4L(147), C3H5L(59); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C3H4L(147)+C10H13L(22766)<=>C3H5L(59)+C10H12L(282) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #7345; RMG #263277 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C4H6R(224), C4H7R(60); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C4H6R(224)+C10H13L(22766)<=>C4H7R(60)+C10H12L(282) 1.808000e-02 4.340 11.200 - -! Reaction index: Chemkin #7346; RMG #263278 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C4H7R(60), C4H6R(79); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H7R(60)+C10H12L(282)<=>C4H6R(79)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7347; RMG #263283 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C(75), CH3(74); -! From training reaction 830 used for C_methane;C_rad/H/CdCs -! Exact match found for rate rule [C_methane;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 4.0 -! family: H_Abstraction -C(75)+C10H12L(282)<=>CH3(74)+C10H13L(22766) 4.240000e-02 4.340 24.900 - -! Reaction index: Chemkin #7348; RMG #263288 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C4H6R(79), C4H7R(81); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C4H6R(79)+C10H13L(22766)<=>C4H7R(81)+C10H12L(282) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7349; RMG #263298 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C5H9L(84), C5H8L(77); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(84)+C10H12L(282)<=>C5H8L(77)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7350; RMG #263328 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H10(116), C6H9(160); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C10H12L(282)<=>C6H9(160)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7351; RMG #263329 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H10(116), C6H9(114); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10(116)+C10H12L(282)<=>C6H9(114)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7352; RMG #282291 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]C(C)L(4), CC(C)L(13); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)L(4)+C10H13L(22766)<=>CC(C)L(13)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7353; RMG #282319 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]C(C)CR(6), CC(C)CR(20); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]C(C)CR(6)+C10H13L(22766)<=>CC(C)CR(20)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7354; RMG #282505 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C7H13R(62), C7H12R(108); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H13R(62)+C10H12L(282)<=>C7H12R(108)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7355; RMG #282536 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H11L(63), C6H10L(103); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11L(63)+C10H12L(282)<=>C6H10L(103)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7356; RMG #282648 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H11L(107), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(107)+C10H12L(282)<=>C6H10L(169)+C10H13L(22766) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7357; RMG #282650 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C6H10L(103), C6H11L(107); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H10L(103)+C10H13L(22766)<=>C6H11L(107)+C10H12L(282) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7358; RMG #283051 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C5H9L(24), C5H8L(89); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C5H9L(24)+C10H12L(282)<=>C5H8L(89)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7359; RMG #283065 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C6H12L(11), CC(C)CC(C)L(25); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H12L(11)+C10H13L(22766)<=>CC(C)CC(C)L(25)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7360; RMG #283412 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); CCC(95), C[CH]C(94); -! From training reaction 914 used for C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs -! Exact match found for rate rule [C/H2/Cs\H3/Cs\H3;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -CCC(95)+C10H12L(282)<=>C[CH]C(94)+C10H13L(22766) 1.476000e-02 4.340 18.000 - -! Reaction index: Chemkin #7361; RMG #283413 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); [CH2]CC(195), CCC(95); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -[CH2]CC(195)+C10H13L(22766)<=>CCC(95)+C10H12L(282) 1.806000e-03 4.340 3.500 - -! Reaction index: Chemkin #7362; RMG #283428 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H11R(98), C6H10R(90); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/CdCs] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C6H11R(98)+C10H12L(282)<=>C6H10R(90)+C10H13L(22766) 4.580000e-03 4.340 11.700 - -! Reaction index: Chemkin #7363; RMG #283682 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C7H13R(120), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(120)+C10H12L(282)<=>C7H12R(199)+C10H13L(22766) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7364; RMG #283685 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C7H12R(108), C7H13R(120); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H2/Cd] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C7H12R(108)+C10H13L(22766)<=>C7H13R(120)+C10H12L(282) 9.040000e-03 4.340 11.200 - -! Reaction index: Chemkin #7365; RMG #352687 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]CC(C)L(7), CCCC(C)L(16); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)L(7)+C10H13L(22766)<=>CCCC(C)L(16)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7366; RMG #354002 -! Template reaction: H_Abstraction -! Flux pairs: C10H13L(22766), C10H12L(282); C[CH]CC(C)CR(5), CCCC(C)CR(32); -! Estimated using an average for rate rule [C/H2/CdCs;C_rad/H/NonDeC] -! Euclidian distance = 0 -! Multiplied by reaction path degeneracy 2.0 -! family: H_Abstraction -C[CH]CC(C)CR(5)+C10H13L(22766)<=>CCCC(C)CR(32)+C10H12L(282) 1.706000e-03 4.340 3.100 - -! Reaction index: Chemkin #7367; RMG #368054 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C6H11L(325), C6H10L(169); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C6H11L(325)+C10H12L(282)<=>C6H10L(169)+C10H13L(22766) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7368; RMG #380530 -! Template reaction: H_Abstraction -! Flux pairs: C10H12L(282), C10H13L(22766); C7H13R(330), C7H12R(199); -! From training reaction 1087 used for C/H/Cs2Cd;C_rad/H/CdCs -! Exact match found for rate rule [C/H/Cs2Cd;C_rad/H/CdCs] -! Euclidian distance = 0 -! family: H_Abstraction -C7H13R(330)+C10H12L(282)<=>C7H12R(199)+C10H13L(22766) 1.150000e-03 4.340 9.300 - -! Reaction index: Chemkin #7369; RMG #668687 -! Template reaction: R_Recombination -! Flux pairs: C4H6L(1895), C10H13L(22766); C6H7(239), C10H13L(22766); -! Estimated from node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -C4H6L(1895)+C6H7(239)<=>C10H13L(22766) 1.767930e+16 -1.003 0.000 - -! Reaction index: Chemkin #7370; RMG #738699 -! Template reaction: R_Recombination -! Flux pairs: C10H12L(282), C10H13L(22766); H(82), C10H13L(22766); -! Estimated from node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -H(82)+C10H12L(282)<=>C10H13L(22766) 2.000000e+13 0.000 0.000 - -! Reaction index: Chemkin #7371; RMG #738897 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CR(10), C3H5R(12); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CR(10)+C10H12L(282)<=>C3H5R(12)+C10H13L(22766) 1.225854e+27 -4.376 6.844 - -! Reaction index: Chemkin #7372; RMG #738993 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)CR(5), C6H11R(17); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)CR(5)+C10H12L(282)<=>C6H11R(17)+C10H13L(22766) 1.225854e+27 -4.376 6.661 - -! Reaction index: Chemkin #7373; RMG #739020 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]CC(195), C3H6(18); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -! Multiplied by reaction path degeneracy 2.0 -[CH2]CC(195)+C10H12L(282)<=>C3H6(18)+C10H13L(22766) 2.105300e+14 -0.550 0.000 - -! Reaction index: Chemkin #7374; RMG #739029 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]C(94), C3H6(18); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 6.0 -C[CH]C(94)+C10H12L(282)<=>C3H6(18)+C10H13L(22766) 2.451708e+27 -4.376 6.742 - -! Reaction index: Chemkin #7375; RMG #739050 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]L(8), C2H3L(19); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]L(8)+C10H12L(282)<=>C2H3L(19)+C10H13L(22766) 1.225854e+27 -4.376 6.844 - -! Reaction index: Chemkin #7376; RMG #739143 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C8H16L(15), C8H15L(21); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C8H16L(15)+C10H12L(282)<=>C8H15L(21)+C10H13L(22766) 1.225854e+27 -4.376 6.661 - -! Reaction index: Chemkin #7377; RMG #739233 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)L(7), C5H9L(24); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C[CH]CC(C)L(7)+C10H12L(282)<=>C5H9L(24)+C10H13L(22766) 1.225854e+27 -4.376 6.661 - -! Reaction index: Chemkin #7378; RMG #739392 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)CR(5), C6H11R(56); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)CR(5)+C10H12L(282)<=>C6H11R(56)+C10H13L(22766) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7379; RMG #739440 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CC(C)L(7), C5H9L(57); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CC(C)L(7)+C10H12L(282)<=>C5H9L(57)+C10H13L(22766) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7380; RMG #739485 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C[CH]CR(10), C3H5R(58); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C[CH]CR(10)+C10H12L(282)<=>C3H5R(58)+C10H13L(22766) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7381; RMG #739506 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]C(C)L(4), C3H5L(59); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)L(4)+C10H12L(282)<=>C3H5L(59)+C10H13L(22766) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7382; RMG #739542 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]C(C)CR(6), C4H7R(60); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)CR(6)+C10H12L(282)<=>C4H7R(60)+C10H13L(22766) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7383; RMG #739608 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C8H16L(15), C8H15L(61); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C8H16L(15)+C10H12L(282)<=>C8H15L(61)+C10H13L(22766) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7384; RMG #739662 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C7H14R(9), C7H13R(62); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C7H14R(9)+C10H12L(282)<=>C7H13R(62)+C10H13L(22766) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7385; RMG #739710 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C6H12L(11), C6H11L(63); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C6H12L(11)+C10H12L(282)<=>C6H11L(63)+C10H13L(22766) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7386; RMG #739917 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C4H6L(1895), C4H5L(91); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C4H6L(1895)+C10H12L(282)<=>C4H5L(91)+C10H13L(22766) 1.547936e+12 0.025 0.000 - -! Reaction index: Chemkin #7387; RMG #740241 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C6H9(114), C6H8(118); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H12L(282)<=>C6H8(118)+C10H13L(22766) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #7388; RMG #740355 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C6H9(114), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 2.0 -C6H9(114)+C10H12L(282)<=>C6H8(125)+C10H13L(22766) 1.350000e+03 2.700 0.000 - -! Reaction index: Chemkin #7389; RMG #740364 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C6H9(160), C6H8(125); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing -! Multiplied by reaction path degeneracy 4.0 -C6H9(160)+C10H12L(282)<=>C6H8(125)+C10H13L(22766) 2.700000e+03 2.700 0.000 - -! Reaction index: Chemkin #7390; RMG #740394 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); [CH2]C(C)C(399), C4H8(157); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -[CH2]C(C)C(399)+C10H12L(282)<=>C4H8(157)+C10H13L(22766) 5.258140e+13 -0.550 0.000 - -! Reaction index: Chemkin #7391; RMG #740562 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C5H8L(89), C5H7L(262); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -C5H8L(89)+C10H12L(282)<=>C5H7L(262)+C10H13L(22766) 5.258140e+13 -0.550 0.477 - -! Reaction index: Chemkin #7392; RMG #740589 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C5H8L(77), C5H7L(262); -! Estimated from node Root_Ext-2R!H-R_2R!H->C -! Multiplied by reaction path degeneracy 3.0 -C5H8L(77)+C10H12L(282)<=>C5H7L(262)+C10H13L(22766) 1.225854e+27 -4.376 9.310 - -! Reaction index: Chemkin #7393; RMG #740655 -! Template reaction: Disproportionation -! Flux pairs: C10H12L(282), C10H13L(22766); C6H10R(90), C6H9R(285); -! Estimated from node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N- -! Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -! Multiplied by reaction path degeneracy 2.0 -C6H10R(90)+C10H12L(282)<=>C6H9R(285)+C10H13L(22766) 1.547936e+12 0.025 0.000 - -END - diff --git a/ipython/data/species_dictionary.txt b/ipython/data/species_dictionary.txt deleted file mode 100644 index 5840bbd90eb..00000000000 --- a/ipython/data/species_dictionary.txt +++ /dev/null @@ -1,10168 +0,0 @@ -Ar -1 Ar u0 p4 c0 - -He -1 He u0 p1 c0 - -Ne -1 Ne u0 p4 c0 - -N2 -1 N u0 p1 c0 {2,T} -2 N u0 p1 c0 {1,T} - -RC10L(1) -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {7,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} -4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -5 C u0 p0 c0 {4,S} {9,S} {12,S} {13,S} -6 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {2,S} {25,S} {26,S} {27,S} -8 C u0 p0 c0 {2,S} {18,S} {28,S} {29,S} -9 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 L u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 R u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} - -RC10(2) -1 C u0 p0 c0 {4,S} {5,S} {8,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {7,S} {11,S} -3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} -4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} -8 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} -9 C u0 p0 c0 {3,S} {28,S} {29,S} {30,S} -10 C u0 p0 c0 {3,S} {18,S} {31,S} {32,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 R u0 p0 c0 {10,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {9,S} -30 H u0 p0 c0 {9,S} -31 H u0 p0 c0 {10,S} -32 H u0 p0 c0 {10,S} - -LC10(3) -1 C u0 p0 c0 {4,S} {5,S} {8,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {7,S} {11,S} -3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} -4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} -8 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} -9 C u0 p0 c0 {3,S} {28,S} {29,S} {30,S} -10 C u0 p0 c0 {3,S} {18,S} {31,S} {32,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 L u0 p0 c0 {10,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {9,S} -30 H u0 p0 c0 {9,S} -31 H u0 p0 c0 {10,S} -32 H u0 p0 c0 {10,S} - -[CH2]C(C)CR(6) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u1 p0 c0 {1,S} {12,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} - -C[CH]CR(10) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -3 C u1 p0 c0 {1,S} {2,S} {10,S} -4 H u0 p0 c0 {1,S} -5 R u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} - -C[CH]CC(C)CR(5) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -5 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -6 C u1 p0 c0 {2,S} {5,S} {19,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 R u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} - -[CH2]C(C)L(4) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u1 p0 c0 {1,S} {9,S} {10,S} -4 L u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} - -C7H14R(9) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u1 p0 c0 {2,S} {21,S} {22,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} - -C[CH]CC(C)L(7) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -5 C u1 p0 c0 {2,S} {4,S} {16,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} - -C[CH]L(8) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u1 p0 c0 {1,S} {6,S} {7,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 L u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} - -C6H12L(11) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 C u1 p0 c0 {1,S} {18,S} {19,S} -7 H u0 p0 c0 {1,S} -8 L u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} - -C3H5R(12) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 R u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -CC(C)L(13) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 L u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -[CH2]R(14) -multiplicity 2 -1 C u1 p0 c0 {2,S} {3,S} {4,S} -2 H u0 p0 c0 {1,S} -3 R u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} - -C8H16L(15) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -3 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} -7 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} -8 C u1 p0 c0 {4,S} {7,S} {25,S} -9 H u0 p0 c0 {1,S} -10 L u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} - -CCCC(C)L(16) -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -6 L u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} - -C6H11R(17) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -5 C u0 p0 c0 {2,S} {6,D} {16,S} -6 C u0 p0 c0 {5,D} {17,S} {18,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 R u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} - -C3H6(18) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C2H3L(19) -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 L u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} - -CC(C)CR(20) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} - -C8H15L(21) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} -6 C u0 p0 c0 {3,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {4,S} {8,D} {22,S} -8 C u0 p0 c0 {7,D} {23,S} {24,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 L u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {8,S} - -CR(22) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 H u0 p0 c0 {1,S} -3 R u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} - -CC(C)CC(C)CR(23) -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} - -C5H9L(24) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {5,D} {13,S} -5 C u0 p0 c0 {4,D} {14,S} {15,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} - -CC(C)CC(C)L(25) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {6,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 L u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} - -CCL(26) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 L u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - -CCCR(27) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -C7H14LR(28) -1 C u0 p0 c0 {2,S} {5,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -3 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -4 C u0 p0 c0 {3,S} {7,S} {9,S} {10,S} -5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -8 H u0 p0 c0 {1,S} -9 L u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {5,S} -19 R u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} - -C10H20LR(29) -1 C u0 p0 c0 {3,S} {4,S} {9,S} {12,S} -2 C u0 p0 c0 {3,S} {7,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -5 C u0 p0 c0 {4,S} {6,S} {19,S} {20,S} -6 C u0 p0 c0 {5,S} {10,S} {17,S} {18,S} -7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -9 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} -10 C u0 p0 c0 {6,S} {30,S} {31,S} {32,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 L u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {7,S} -22 R u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {9,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {10,S} -32 H u0 p0 c0 {10,S} - -C9H18L2(30) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} -4 C u0 p0 c0 {3,S} {6,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} -6 C u0 p0 c0 {4,S} {9,S} {17,S} {18,S} -7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {5,S} {21,S} {22,S} {23,S} -9 C u0 p0 c0 {6,S} {27,S} {28,S} {29,S} -10 H u0 p0 c0 {1,S} -11 L u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 L u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {9,S} - -CC(L)CCR(31) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} -3 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 L u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 R u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} - -CCCC(C)CR(32) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} -3 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} - -C8H16L2(33) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {7,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} -9 H u0 p0 c0 {1,S} -10 L u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 L u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} - -CC(CR)CCR(34) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {5,S} -10 R u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {3,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} - -CC(L)CC(C)L(35) -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -6 L u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 L u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} - -C8H16R2(36) -1 C u0 p0 c0 {3,S} {4,S} {7,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {8,S} {13,S} {14,S} -5 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {8,S} -16 R u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} -19 R u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} - -CC(L)CC(C)CR(37) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {6,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 L u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {4,S} -16 R u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} - -C7H14LR(38) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {7,S} {9,S} {10,S} -5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 L u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 R u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} - -C9H18R2(39) -1 C u0 p0 c0 {2,S} {4,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {12,S} -3 C u0 p0 c0 {4,S} {5,S} {6,S} {10,S} -4 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -9 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 R u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {8,S} -25 R u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {9,S} - -C7H14R2(40) -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 R u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} - -CC(L)CR(41) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 L u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -CC(CR)CR(42) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 R u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} - -C8H16LR(43) -1 C u0 p0 c0 {3,S} {4,S} {7,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -5 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 L u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} -19 R u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} - -C8H16LR(44) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {10,S} -3 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -4 C u0 p0 c0 {3,S} {8,S} {11,S} {12,S} -5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 L u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 R u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} - -CC(L)CCC(C)L(45) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {6,S} {11,S} {12,S} -5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} -7 L u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 L u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} - -C7H14L2(46) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {7,S} {11,S} {12,S} -5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 L u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 L u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} - -CC(L)C(C)CR(47) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -6 H u0 p0 c0 {1,S} -7 L u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {3,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} - -C10H20R2(48) -1 C u0 p0 c0 {4,S} {5,S} {8,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {7,S} {11,S} -3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} -4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -9 C u0 p0 c0 {3,S} {27,S} {28,S} {29,S} -10 C u0 p0 c0 {3,S} {30,S} {31,S} {32,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 R u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 R u0 p0 c0 {9,S} -29 H u0 p0 c0 {9,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {10,S} -32 H u0 p0 c0 {10,S} - -C8H17L(49) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} -9 H u0 p0 c0 {1,S} -10 L u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} - -C11H22L2(50) -1 C u0 p0 c0 {3,S} {4,S} {8,S} {12,S} -2 C u0 p0 c0 {3,S} {5,S} {9,S} {13,S} -3 C u0 p0 c0 {1,S} {2,S} {18,S} {19,S} -4 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {7,S} {22,S} {23,S} -6 C u0 p0 c0 {4,S} {10,S} {14,S} {15,S} -7 C u0 p0 c0 {5,S} {11,S} {20,S} {21,S} -8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} -9 C u0 p0 c0 {2,S} {33,S} {34,S} {35,S} -10 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} -11 C u0 p0 c0 {7,S} {30,S} {31,S} {32,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 L u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 L u0 p0 c0 {7,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {11,S} -31 H u0 p0 c0 {11,S} -32 H u0 p0 c0 {11,S} -33 H u0 p0 c0 {9,S} -34 H u0 p0 c0 {9,S} -35 H u0 p0 c0 {9,S} - -CC(L)C(C)L(51) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -5 L u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 L u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} - -CC(CR)C(C)CR(52) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {6,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {2,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 R u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 R u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} - -C10H20L2(53) -1 C u0 p0 c0 {3,S} {4,S} {7,S} {11,S} -2 C u0 p0 c0 {3,S} {5,S} {8,S} {12,S} -3 C u0 p0 c0 {1,S} {2,S} {17,S} {18,S} -4 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -5 C u0 p0 c0 {2,S} {10,S} {19,S} {20,S} -6 C u0 p0 c0 {4,S} {9,S} {13,S} {14,S} -7 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} -9 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} -10 C u0 p0 c0 {5,S} {30,S} {31,S} {32,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 L u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 L u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {10,S} -32 H u0 p0 c0 {10,S} - -C11H22LR(54) -1 C u0 p0 c0 {3,S} {4,S} {8,S} {13,S} -2 C u0 p0 c0 {4,S} {5,S} {7,S} {12,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {14,S} -4 C u0 p0 c0 {1,S} {2,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -6 C u0 p0 c0 {5,S} {11,S} {15,S} {16,S} -7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} -9 C u0 p0 c0 {3,S} {30,S} {31,S} {32,S} -10 C u0 p0 c0 {3,S} {33,S} {34,S} {35,S} -11 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 L u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {11,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {9,S} -31 R u0 p0 c0 {9,S} -32 H u0 p0 c0 {9,S} -33 H u0 p0 c0 {10,S} -34 H u0 p0 c0 {10,S} -35 H u0 p0 c0 {10,S} - -RCCR(55) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 p0 c0 {1,S} -4 R u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - -C6H11R(56) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {6,D} {18,S} -6 C u0 p0 c0 {4,S} {5,D} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 R u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} - -C5H9L(57) -1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {5,D} {15,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} - -C3H5R(58) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 R u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C3H5L(59) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 L u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C4H7R(60) -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {2,S} {4,D} -4 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 R u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} - -C8H15L(61) -1 C u0 p0 c0 {2,S} {4,S} {7,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {3,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {1,S} {8,D} {24,S} -8 C u0 p0 c0 {6,S} {7,D} {23,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 L u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {7,S} - -C7H13R(62) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {2,S} {5,S} {7,D} -7 C u0 p0 c0 {6,D} {20,S} {21,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 R u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {7,S} - -C6H11L(63) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {2,S} {4,S} {6,D} -6 C u0 p0 c0 {5,D} {17,S} {18,S} -7 L u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} - -C10H20R(64) -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {6,S} {11,S} -2 C u0 p0 c0 {4,S} {7,S} {8,S} {12,S} -3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} -4 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} -9 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} -10 C u1 p0 c0 {3,S} {30,S} {31,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {10,S} -31 R u0 p0 c0 {10,S} - -C9H17LR(65) -multiplicity 2 -1 C u0 p0 c0 {3,S} {5,S} {6,S} {10,S} -2 C u0 p0 c0 {4,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {9,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {9,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {2,S} {23,S} {24,S} {25,S} -8 C u0 p0 c0 {9,S} {26,S} {27,S} {28,S} -9 C u1 p0 c0 {3,S} {4,S} {8,S} -10 H u0 p0 c0 {1,S} -11 L u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 R u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} - -C9H17LR(66) -multiplicity 2 -1 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} -2 C u0 p0 c0 {5,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -4 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -5 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} -8 C u0 p0 c0 {4,S} {25,S} {26,S} {27,S} -9 C u1 p0 c0 {1,S} {2,S} {28,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 L u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 R u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {9,S} - -C9H17LR(67) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -5 C u0 p0 c0 {4,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} -9 C u1 p0 c0 {2,S} {27,S} {28,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 L u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 R u0 p0 c0 {9,S} - -C9H17LR(68) -multiplicity 2 -1 C u0 p0 c0 {3,S} {5,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {8,S} {9,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} -6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} -8 C u0 p0 c0 {4,S} {25,S} {26,S} {27,S} -9 C u1 p0 c0 {2,S} {4,S} {28,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 L u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 R u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {9,S} - -C9H17LR(69) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {9,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {3,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {9,S} {23,S} {24,S} {25,S} -8 C u0 p0 c0 {9,S} {26,S} {27,S} {28,S} -9 C u1 p0 c0 {4,S} {7,S} {8,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 L u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {7,S} -24 R u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} - -C9H17LR(70) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {8,S} {11,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {10,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -5 C u0 p0 c0 {4,S} {9,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -9 C u1 p0 c0 {5,S} {27,S} {28,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 L u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 R u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {9,S} - -C9H17LR(71) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {7,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -5 C u0 p0 c0 {4,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} -9 C u1 p0 c0 {2,S} {27,S} {28,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 L u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {9,S} - -C9H17LR(72) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {7,S} {11,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {10,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {9,S} {14,S} {15,S} -5 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -6 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} -8 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -9 C u1 p0 c0 {4,S} {8,S} {28,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 R u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 L u0 p0 c0 {9,S} - -C9H17LR(73) -multiplicity 2 -1 C u0 p0 c0 {3,S} {6,S} {7,S} {10,S} -2 C u0 p0 c0 {3,S} {4,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} -5 C u0 p0 c0 {4,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} -9 C u1 p0 c0 {2,S} {27,S} {28,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 L u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 R u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {9,S} - -CH3(74) -multiplicity 2 -1 C u1 p0 c0 {2,S} {3,S} {4,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} - -C(75) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} - -C10H20L(76) -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {6,S} {11,S} -2 C u0 p0 c0 {4,S} {7,S} {8,S} {12,S} -3 C u0 p0 c0 {5,S} {9,S} {10,S} {13,S} -4 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -8 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} -9 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} -10 C u1 p0 c0 {3,S} {30,S} {31,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {10,S} -31 L u0 p0 c0 {10,S} - -C5H8L(77) -multiplicity 2 -1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -3 C u1 p0 c0 {1,S} {5,S} {12,S} -4 C u0 p0 c0 {2,S} {5,D} {13,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 L u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} - -C3H4R(78) -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 C u1 p0 c0 {1,S} {7,S} {8,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 R u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} - -C4H6R(79) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 C u1 p0 c0 {2,S} {10,S} {11,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 R u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} - -C[C]1CC1R(80) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 R u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -C4H7R(81) -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {2,S} {4,D} -4 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 R u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} - -H(82) -multiplicity 2 -1 H u1 p0 c0 - -[H][H](83) -1 H u0 p0 c0 {2,S} -2 H u0 p0 c0 {1,S} - -C5H9L(84) -1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {5,D} {15,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 L u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} - -C7H15(85) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u1 p0 c0 {2,S} {21,S} {22,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} - -C3H5L(86) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 L u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -CC(C)CC(C)C(87) -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {2,S} {21,S} {22,S} {23,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} - -RC1[CH]C1(88) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} -3 C u1 p0 c0 {1,S} {2,S} {8,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 R u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} - -C5H8L(89) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u1 p0 c0 {1,S} {4,S} {11,S} -4 C u0 p0 c0 {3,S} {5,D} {12,S} -5 C u0 p0 c0 {4,D} {13,S} {14,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} - -C6H10R(90) -multiplicity 2 -1 C u0 p0 c0 {4,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {2,S} {6,S} -5 C u0 p0 c0 {3,S} {6,D} {16,S} -6 C u0 p0 c0 {4,S} {5,D} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 R u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} - -C4H5L(91) -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 C u0 p0 c0 {2,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 L u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} - -C6H9L2(92) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {2,S} {5,S} {14,S} -5 C u0 p0 c0 {4,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 L u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 L u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C[CH]CC(93) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -4 C u1 p0 c0 {1,S} {3,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} - -C[CH]C(94) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -3 C u1 p0 c0 {1,S} {2,S} {10,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} - -CCC(95) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -C5H8L(96) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u1 p0 c0 {1,S} {4,S} {11,S} -4 C u0 p0 c0 {3,S} {5,D} {12,S} -5 C u0 p0 c0 {4,D} {13,S} {14,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 L u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} - -C7H11LR(97) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 C u1 p0 c0 {2,S} {6,S} {17,S} -6 C u0 p0 c0 {5,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 L u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C6H11R(98) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {4,S} {6,D} -6 C u0 p0 c0 {1,S} {5,D} {18,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 R u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} - -C6H9LR(99) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {1,S} {3,S} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 L u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 R u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C7H9LR(100) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u1 p0 c0 {2,S} {5,S} {13,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,S} {7,D} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 C u0 p0 c0 {5,D} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 R u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 L u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -CC(L)C[CH]L(101) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u1 p0 c0 {2,S} {12,S} {13,S} -5 L u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 L u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} - -C3H5(102) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {4,S} -2 C u1 p0 c0 {1,S} {7,S} {8,S} -3 C u0 p0 c0 {1,D} {5,S} {6,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - -C6H10L(103) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {3,S} {5,S} {6,D} -5 C u1 p0 c0 {1,S} {4,S} {15,S} -6 C u0 p0 c0 {4,D} {16,S} {17,S} -7 L u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C5H7L(104) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {3,S} {4,D} -3 C u0 p0 c0 {2,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {10,S} {11,S} -5 C u0 p0 c0 {3,D} {12,S} {13,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 L u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} - -C6H9R(105) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 R u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C7H11L2(106) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -5 C u1 p0 c0 {2,S} {4,S} {6,S} -6 C u0 p0 c0 {5,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 L u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 L u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C6H11L(107) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {4,S} {6,D} -6 C u0 p0 c0 {1,S} {5,D} {18,S} -7 L u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} - -C7H12R(108) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {4,S} {6,S} {7,D} -6 C u1 p0 c0 {1,S} {5,S} {18,S} -7 C u0 p0 c0 {5,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C7H12R(109) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {1,S} {3,S} {7,S} {9,S} -3 C u0 p0 c0 {2,S} {7,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {7,S} {18,S} {19,S} {20,S} -7 C u1 p0 c0 {2,S} {3,S} {6,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 R u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} - -C6H10(110) -1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {6,D} -4 C u0 p0 c0 {2,S} {5,D} {13,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {3,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C6H9R(111) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 R u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C8H14L(112) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -6 C u1 p0 c0 {2,S} {4,S} {8,S} -7 C u0 p0 c0 {5,S} {8,D} {22,S} -8 C u0 p0 c0 {6,S} {7,D} {23,S} -9 L u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} - -C6H9(113) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,D} {5,S} -3 C u0 p0 c0 {2,D} {4,S} {10,S} -4 C u0 p0 c0 {3,S} {6,D} {11,S} -5 C u1 p0 c0 {2,S} {12,S} {13,S} -6 C u0 p0 c0 {4,D} {14,S} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -C6H9(114) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u1 p0 c0 {2,S} {6,S} {14,S} -6 C u0 p0 c0 {4,D} {5,S} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} - -C12H18(115) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} -5 C u0 p0 c0 {4,S} {9,S} {18,S} {19,S} -6 C u0 p0 c0 {3,S} {12,S} {20,S} {21,S} -7 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} -8 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -9 C u0 p0 c0 {5,S} {8,S} {10,D} -10 C u0 p0 c0 {2,S} {9,D} {28,S} -11 C u0 p0 c0 {1,S} {12,D} {30,S} -12 C u0 p0 c0 {6,S} {11,D} {29,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {10,S} -29 H u0 p0 c0 {12,S} -30 H u0 p0 c0 {11,S} - -C6H10(116) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} -4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -5 C u0 p0 c0 {2,S} {4,S} {6,D} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} - -C12H18(117) -1 C u0 p0 c0 {2,S} {3,S} {11,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {14,S} -3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {9,S} {19,S} {20,S} -6 C u0 p0 c0 {4,S} {10,S} {21,S} {22,S} -7 C u0 p0 c0 {9,S} {23,S} {24,S} {25,S} -8 C u0 p0 c0 {10,S} {26,S} {27,S} {28,S} -9 C u0 p0 c0 {5,S} {7,S} {11,D} -10 C u0 p0 c0 {6,S} {8,S} {12,D} -11 C u0 p0 c0 {1,S} {9,D} {29,S} -12 C u0 p0 c0 {2,S} {10,D} {30,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {12,S} - -C6H8(118) -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} - -C10H14L(119) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u1 p0 c0 {2,S} {7,S} {18,S} -6 C u0 p0 c0 {4,D} {8,S} {19,S} -7 C u0 p0 c0 {5,S} {10,D} {21,S} -8 C u0 p0 c0 {6,S} {9,D} {20,S} -9 C u0 p0 c0 {8,D} {22,S} {23,S} -10 C u0 p0 c0 {7,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {9,S} -24 L u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C7H13R(120) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {4,S} {5,S} {7,D} -7 C u0 p0 c0 {1,S} {6,D} {21,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {7,S} - -C10H14L(121) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {3,S} {7,S} {9,D} -5 C u0 p0 c0 {1,S} {7,D} {18,S} -6 C u1 p0 c0 {2,S} {8,S} {19,S} -7 C u0 p0 c0 {4,S} {5,D} {20,S} -8 C u0 p0 c0 {6,S} {10,D} {21,S} -9 C u0 p0 c0 {4,D} {22,S} {23,S} -10 C u0 p0 c0 {8,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {9,S} -24 L u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C9H14L(122) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {3,S} {7,D} -6 C u1 p0 c0 {2,S} {4,S} {20,S} -7 C u0 p0 c0 {5,D} {8,S} {21,S} -8 C u0 p0 c0 {7,S} {9,D} {22,S} -9 C u0 p0 c0 {8,D} {23,S} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 L u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C6H7(123) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 C u0 p0 c0 {2,S} {5,D} {12,S} -4 C u0 p0 c0 {2,S} {6,D} {13,S} -5 C u0 p0 c0 {3,D} {6,S} {10,S} -6 C u0 p0 c0 {4,D} {5,S} {11,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} - -C5H9LR(124) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 C u1 p0 c0 {2,S} {15,S} {16,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 R u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 L u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} - -C6H8(125) -1 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {4,D} {6,S} -4 C u0 p0 c0 {1,S} {3,D} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {12,S} -6 C u0 p0 c0 {3,S} {5,D} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} - -C7H11(126) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {4,S} {7,D} -6 C u1 p0 c0 {2,S} {7,S} {17,S} -7 C u0 p0 c0 {5,D} {6,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} - -C7H11(127) -multiplicity 2 -1 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {4,D} {5,S} -4 C u0 p0 c0 {2,S} {3,D} {14,S} -5 C u0 p0 c0 {3,S} {6,D} {16,S} -6 C u0 p0 c0 {5,D} {7,S} {15,S} -7 C u1 p0 c0 {6,S} {17,S} {18,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C8H13LR(128) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -6 C u1 p0 c0 {2,S} {5,S} {7,S} -7 C u0 p0 c0 {6,S} {8,D} {21,S} -8 C u0 p0 c0 {7,D} {22,S} {23,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {7,S} -22 L u0 p0 c0 {8,S} -23 H u0 p0 c0 {8,S} - -C8H11LR(129) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {3,S} {6,S} -5 C u0 p0 c0 {2,S} {7,D} {16,S} -6 C u0 p0 c0 {4,S} {8,D} {17,S} -7 C u0 p0 c0 {5,D} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {20,S} {21,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 R u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C7H10L(130) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u1 p0 c0 {2,S} {5,S} {13,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,S} {7,D} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 C u0 p0 c0 {5,D} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 L u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C6H10L(131) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 C u1 p0 c0 {1,S} {3,S} {5,S} -5 C u0 p0 c0 {4,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 L u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C9H14L(132) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {8,S} {9,D} -6 C u1 p0 c0 {1,S} {4,S} {20,S} -7 C u0 p0 c0 {2,S} {8,D} {21,S} -8 C u0 p0 c0 {5,S} {7,D} {22,S} -9 C u0 p0 c0 {5,D} {23,S} {24,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 L u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C6H8R2(133) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 R u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C8H11LR(134) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u1 p0 c0 {2,S} {6,S} {16,S} -6 C u0 p0 c0 {5,S} {8,D} {17,S} -7 C u0 p0 c0 {4,D} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 R u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C11H16L(135) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {7,D} -6 C u1 p0 c0 {2,S} {4,S} {8,S} -7 C u0 p0 c0 {5,D} {9,S} {22,S} -8 C u0 p0 c0 {6,S} {11,D} {24,S} -9 C u0 p0 c0 {7,S} {10,D} {23,S} -10 C u0 p0 c0 {9,D} {25,S} {26,S} -11 C u0 p0 c0 {8,D} {27,S} {28,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 L u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C11H16L(136) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u1 p0 c0 {1,S} {3,S} {9,S} -6 C u0 p0 c0 {4,S} {8,S} {10,D} -7 C u0 p0 c0 {2,S} {8,D} {22,S} -8 C u0 p0 c0 {6,S} {7,D} {23,S} -9 C u0 p0 c0 {5,S} {11,D} {24,S} -10 C u0 p0 c0 {6,D} {25,S} {26,S} -11 C u0 p0 c0 {9,D} {27,S} {28,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {3,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 L u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C10H16R(137) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} -5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} -6 C u1 p0 c0 {1,S} {3,S} {4,S} -7 C u0 p0 c0 {2,S} {5,S} {8,D} -8 C u0 p0 c0 {7,D} {9,S} {24,S} -9 C u0 p0 c0 {8,S} {10,D} {25,S} -10 C u0 p0 c0 {9,D} {26,S} {27,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 R u0 p0 c0 {4,S} -22 H u0 p0 c0 {4,S} -23 H u0 p0 c0 {4,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} - -C5H9LR(138) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -5 C u1 p0 c0 {2,S} {4,S} {16,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 R u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} - -C6H10L(139) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {1,S} {3,S} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 L u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C10H16R(140) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} -5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} -6 C u1 p0 c0 {1,S} {3,S} {4,S} -7 C u0 p0 c0 {5,S} {9,S} {10,D} -8 C u0 p0 c0 {2,S} {9,D} {24,S} -9 C u0 p0 c0 {7,S} {8,D} {25,S} -10 C u0 p0 c0 {7,D} {26,S} {27,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 R u0 p0 c0 {4,S} -22 H u0 p0 c0 {4,S} -23 H u0 p0 c0 {4,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} - -C8H12L(141) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {3,S} {6,S} -5 C u0 p0 c0 {2,S} {7,D} {16,S} -6 C u0 p0 c0 {4,S} {8,D} {17,S} -7 C u0 p0 c0 {5,D} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {20,S} {21,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C9H13LR(142) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {2,S} {4,S} {7,S} -6 C u0 p0 c0 {1,S} {3,S} {8,D} -7 C u0 p0 c0 {5,S} {9,D} {20,S} -8 C u0 p0 c0 {6,D} {21,S} {22,S} -9 C u0 p0 c0 {7,D} {23,S} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 R u0 p0 c0 {8,S} -22 H u0 p0 c0 {8,S} -23 L u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C7H11LR(143) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {3,S} {7,D} -6 C u1 p0 c0 {2,S} {4,S} {18,S} -7 C u0 p0 c0 {5,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 L u0 p0 c0 {6,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C6H9LR(144) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {8,S} -3 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -5 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -6 C u1 p0 c0 {2,S} {16,S} {17,S} -7 L u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 R u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C6H9L2(145) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {2,S} {5,S} {14,S} -5 C u0 p0 c0 {4,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 L u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 L u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C7H11R2(146) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -5 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 R u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C3H4L(147) -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 C u1 p0 c0 {1,S} {7,S} {8,S} -4 L u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} - -C7H9LR(148) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -5 C u1 p0 c0 {3,S} {4,S} {15,S} -6 C u0 p0 c0 {1,S} {7,D} {16,S} -7 C u0 p0 c0 {6,D} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 L u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -L[C]1CC1(149) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} -3 C u1 p0 c0 {1,S} {2,S} {8,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 L u0 p0 c0 {3,S} - -C7H9LR(150) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -5 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -7 C u1 p0 c0 {2,S} {6,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 R u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 L u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} - -C7H9LR(151) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -5 C u0 p0 c0 {4,S} {6,D} {15,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 C u1 p0 c0 {1,S} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 L u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 R u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C7H9L2(152) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u1 p0 c0 {2,S} {5,S} {13,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,S} {7,D} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 C u0 p0 c0 {5,D} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 L u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 L u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C7H12R(153) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -5 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 R u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C7H9LR(154) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {4,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -6 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} -7 C u1 p0 c0 {2,S} {6,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 L u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 R u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} - -CC[C](C)L(155) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -4 C u1 p0 c0 {1,S} {3,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 L u0 p0 c0 {4,S} - -C4H7(156) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {4,D} -3 C u1 p0 c0 {2,S} {10,S} {11,S} -4 C u0 p0 c0 {2,D} {8,S} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -C4H8(157) -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {2,S} {4,D} -4 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} - -C[C]1CC1(158) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -C9H15(159) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} -5 C u0 p0 c0 {7,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {3,S} {5,S} {9,D} -8 C u1 p0 c0 {4,S} {6,S} {23,S} -9 C u0 p0 c0 {1,S} {7,D} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} - -C6H9(160) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {3,S} {5,S} {6,D} -5 C u1 p0 c0 {2,S} {4,S} {15,S} -6 C u0 p0 c0 {1,S} {4,D} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {5,S} - -C6H9(161) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {5,S} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 C u1 p0 c0 {3,S} {12,S} {13,S} -6 C u0 p0 c0 {4,D} {14,S} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -C8H11L2(162) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {3,S} {6,S} -5 C u0 p0 c0 {2,S} {7,D} {16,S} -6 C u0 p0 c0 {4,S} {8,D} {17,S} -7 C u0 p0 c0 {5,D} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {20,S} {21,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 L u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C6H10(163) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C8H12L(164) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u1 p0 c0 {2,S} {6,S} {16,S} -6 C u0 p0 c0 {5,S} {8,D} {17,S} -7 C u0 p0 c0 {4,D} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C6H8R2(165) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 C u0 p0 c0 {4,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 R u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 R u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C9H14L(166) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {7,D} {8,S} -6 C u1 p0 c0 {1,S} {4,S} {20,S} -7 C u0 p0 c0 {2,S} {5,D} {21,S} -8 C u0 p0 c0 {5,S} {9,D} {22,S} -9 C u0 p0 c0 {8,D} {23,S} {24,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 L u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C10H14L(167) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {3,S} {5,D} {7,S} -5 C u0 p0 c0 {1,S} {4,D} {18,S} -6 C u1 p0 c0 {2,S} {8,S} {19,S} -7 C u0 p0 c0 {4,S} {9,D} {20,S} -8 C u0 p0 c0 {6,S} {10,D} {21,S} -9 C u0 p0 c0 {7,D} {22,S} {23,S} -10 C u0 p0 c0 {8,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {9,S} -24 L u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C11H16L(168) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u1 p0 c0 {1,S} {3,S} {8,S} -6 C u0 p0 c0 {4,S} {7,D} {9,S} -7 C u0 p0 c0 {2,S} {6,D} {22,S} -8 C u0 p0 c0 {5,S} {11,D} {24,S} -9 C u0 p0 c0 {6,S} {10,D} {23,S} -10 C u0 p0 c0 {9,D} {25,S} {26,S} -11 C u0 p0 c0 {8,D} {27,S} {28,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {3,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 L u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C6H10L(169) -multiplicity 2 -1 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {2,S} {6,D} -5 C u1 p0 c0 {3,S} {6,S} {16,S} -6 C u0 p0 c0 {4,D} {5,S} {17,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 L u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} - -C6H9L2(170) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {1,S} {3,S} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 L u0 p0 c0 {4,S} -15 L u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C6H10R(171) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {1,S} {5,S} {14,S} -5 C u0 p0 c0 {4,S} {6,D} {15,S} -6 C u0 p0 c0 {5,D} {16,S} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 R u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} - -C7H11LR(172) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {8,S} -3 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -5 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -6 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -7 C u1 p0 c0 {1,S} {19,S} {20,S} -8 L u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C5H8(173) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {3,D} {9,S} -3 C u0 p0 c0 {2,D} {4,S} {11,S} -4 C u0 p0 c0 {3,S} {5,D} {10,S} -5 C u0 p0 c0 {4,D} {12,S} {13,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} - -C5H7(174) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {7,S} -2 C u0 p0 c0 {1,S} {5,D} {6,S} -3 C u0 p0 c0 {1,D} {4,S} {8,S} -4 C u1 p0 c0 {3,S} {11,S} {12,S} -5 C u0 p0 c0 {2,D} {9,S} {10,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} - -C9H12L(175) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,D} {14,S} -4 C u1 p0 c0 {2,S} {6,S} {15,S} -5 C u0 p0 c0 {3,D} {7,S} {17,S} -6 C u0 p0 c0 {4,S} {9,D} {18,S} -7 C u0 p0 c0 {5,S} {8,D} {16,S} -8 C u0 p0 c0 {7,D} {19,S} {20,S} -9 C u0 p0 c0 {6,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {8,S} -21 L u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C8H12L(176) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {3,S} {16,S} -5 C u0 p0 c0 {2,S} {6,D} {17,S} -6 C u0 p0 c0 {5,D} {7,S} {19,S} -7 C u0 p0 c0 {6,S} {8,D} {18,S} -8 C u0 p0 c0 {7,D} {20,S} {21,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 L u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C9H14R(177) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {7,D} {20,S} -7 C u0 p0 c0 {6,D} {8,S} {22,S} -8 C u0 p0 c0 {7,S} {9,D} {21,S} -9 C u0 p0 c0 {8,D} {23,S} {24,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 R u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C5H7(178) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u1 p0 c0 {1,S} {5,S} {10,S} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {3,S} {4,D} {12,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} - -C10H14(179) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {6,D} {19,S} -6 C u0 p0 c0 {4,S} {5,D} {18,S} -7 C u0 p0 c0 {3,S} {8,D} {20,S} -8 C u0 p0 c0 {7,D} {9,S} {22,S} -9 C u0 p0 c0 {8,S} {10,D} {21,S} -10 C u0 p0 c0 {9,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C5H8(180) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {13,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} - -C11H17(181) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -5 C u1 p0 c0 {1,S} {3,S} {8,S} -6 C u0 p0 c0 {2,S} {9,D} {22,S} -7 C u0 p0 c0 {4,S} {8,D} {23,S} -8 C u0 p0 c0 {5,S} {7,D} {26,S} -9 C u0 p0 c0 {6,D} {10,S} {25,S} -10 C u0 p0 c0 {9,S} {11,D} {24,S} -11 C u0 p0 c0 {10,D} {27,S} {28,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C10H14L(182) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u1 p0 c0 {1,S} {3,S} {6,S} -5 C u0 p0 c0 {2,S} {7,D} {18,S} -6 C u0 p0 c0 {4,S} {10,D} {21,S} -7 C u0 p0 c0 {5,D} {8,S} {20,S} -8 C u0 p0 c0 {7,S} {9,D} {19,S} -9 C u0 p0 c0 {8,D} {22,S} {23,S} -10 C u0 p0 c0 {6,D} {24,S} {25,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {9,S} -24 L u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C10H15(183) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -4 C u1 p0 c0 {2,S} {7,S} {20,S} -5 C u0 p0 c0 {1,S} {8,D} {18,S} -6 C u0 p0 c0 {3,S} {7,D} {19,S} -7 C u0 p0 c0 {4,S} {6,D} {23,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {8,S} {10,D} {21,S} -10 C u0 p0 c0 {9,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C10H14(184) -1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {5,D} {15,S} -4 C u0 p0 c0 {2,S} {6,D} {16,S} -5 C u0 p0 c0 {3,D} {7,S} {18,S} -6 C u0 p0 c0 {4,D} {8,S} {20,S} -7 C u0 p0 c0 {5,S} {9,D} {17,S} -8 C u0 p0 c0 {6,S} {10,D} {19,S} -9 C u0 p0 c0 {7,D} {21,S} {22,S} -10 C u0 p0 c0 {8,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C9H12L(185) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,D} {14,S} -4 C u1 p0 c0 {2,S} {6,S} {15,S} -5 C u0 p0 c0 {3,D} {7,S} {17,S} -6 C u0 p0 c0 {4,S} {9,D} {18,S} -7 C u0 p0 c0 {5,S} {8,D} {16,S} -8 C u0 p0 c0 {7,D} {19,S} {20,S} -9 C u0 p0 c0 {6,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 L u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C10H14(186) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {6,S} {15,S} {16,S} -5 C u0 p0 c0 {3,S} {9,S} {17,S} {18,S} -6 C u0 p0 c0 {4,S} {10,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {9,D} {22,S} -8 C u0 p0 c0 {2,S} {10,D} {24,S} -9 C u0 p0 c0 {5,S} {7,D} {21,S} -10 C u0 p0 c0 {6,S} {8,D} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {8,S} - -C5H6(187) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} - -C11H18L(188) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -3 C u0 p0 c0 {4,S} {7,S} {18,S} {19,S} -4 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -6 C u0 p0 c0 {7,S} {23,S} {24,S} {25,S} -7 C u1 p0 c0 {2,S} {3,S} {6,S} -8 C u0 p0 c0 {4,S} {9,D} {26,S} -9 C u0 p0 c0 {8,D} {10,S} {28,S} -10 C u0 p0 c0 {9,S} {11,D} {27,S} -11 C u0 p0 c0 {10,D} {29,S} {30,S} -12 L u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {11,S} - -C5H5(189) -multiplicity 2 -1 C u1 p0 c0 {3,S} {5,S} {9,S} -2 C u0 p0 c0 {3,D} {4,S} {6,S} -3 C u0 p0 c0 {1,S} {2,D} {7,S} -4 C u0 p0 c0 {2,S} {5,D} {8,S} -5 C u0 p0 c0 {1,S} {4,D} {10,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {5,S} - -C9H14L(190) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {2,S} {4,S} {7,S} -6 C u0 p0 c0 {1,S} {3,S} {8,D} -7 C u0 p0 c0 {5,S} {9,D} {20,S} -8 C u0 p0 c0 {6,D} {21,S} {22,S} -9 C u0 p0 c0 {7,D} {23,S} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {8,S} -23 L u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C8H13(191) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {3,S} {16,S} -5 C u0 p0 c0 {2,S} {6,D} {17,S} -6 C u0 p0 c0 {5,D} {7,S} {19,S} -7 C u0 p0 c0 {6,S} {8,D} {18,S} -8 C u0 p0 c0 {7,D} {20,S} {21,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C12H20R(192) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {13,S} -2 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} -3 C u0 p0 c0 {4,S} {8,S} {18,S} {19,S} -4 C u0 p0 c0 {3,S} {9,S} {14,S} {15,S} -5 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -6 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} -7 C u0 p0 c0 {8,S} {26,S} {27,S} {28,S} -8 C u1 p0 c0 {2,S} {3,S} {7,S} -9 C u0 p0 c0 {4,S} {10,D} {29,S} -10 C u0 p0 c0 {9,D} {11,S} {31,S} -11 C u0 p0 c0 {10,S} {12,D} {30,S} -12 C u0 p0 c0 {11,D} {32,S} {33,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 R u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 H u0 p0 c0 {7,S} -29 H u0 p0 c0 {9,S} -30 H u0 p0 c0 {11,S} -31 H u0 p0 c0 {10,S} -32 H u0 p0 c0 {12,S} -33 H u0 p0 c0 {12,S} - -C7H12L(193) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u1 p0 c0 {2,S} {7,S} {18,S} -6 C u0 p0 c0 {4,S} {7,D} {19,S} -7 C u0 p0 c0 {5,S} {6,D} {20,S} -8 L u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} - -C8H12(194) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {5,D} {13,S} -4 C u0 p0 c0 {2,S} {7,D} {14,S} -5 C u0 p0 c0 {3,D} {6,S} {16,S} -6 C u0 p0 c0 {5,S} {8,D} {15,S} -7 C u0 p0 c0 {4,D} {19,S} {20,S} -8 C u0 p0 c0 {6,D} {17,S} {18,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -[CH2]CC(195) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u1 p0 c0 {1,S} {9,S} {10,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} - -C2H4(196) -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} - -C8H13(197) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {10,S} -3 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -5 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {8,S} {19,S} -8 C u1 p0 c0 {7,S} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C8H13(198) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {1,S} {8,D} {15,S} -6 C u1 p0 c0 {2,S} {16,S} {17,S} -7 C u0 p0 c0 {4,D} {18,S} {19,S} -8 C u0 p0 c0 {5,D} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C7H12R(199) -multiplicity 2 -1 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {1,S} {2,S} {7,S} -6 C u0 p0 c0 {3,S} {4,S} {7,D} -7 C u0 p0 c0 {5,S} {6,D} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 R u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} - -C10H14(200) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {8,D} {14,S} -4 C u0 p0 c0 {1,S} {9,D} {15,S} -5 C u0 p0 c0 {2,S} {6,D} {16,S} -6 C u0 p0 c0 {5,D} {7,S} {18,S} -7 C u0 p0 c0 {6,S} {10,D} {17,S} -8 C u0 p0 c0 {3,D} {19,S} {20,S} -9 C u0 p0 c0 {4,D} {21,S} {22,S} -10 C u0 p0 c0 {7,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C10H12(201) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,D} {14,S} -4 C u0 p0 c0 {1,S} {7,D} {15,S} -5 C u0 p0 c0 {2,S} {8,D} {16,S} -6 C u0 p0 c0 {3,D} {7,S} {17,S} -7 C u0 p0 c0 {4,D} {6,S} {18,S} -8 C u0 p0 c0 {5,D} {9,S} {20,S} -9 C u0 p0 c0 {8,S} {10,D} {19,S} -10 C u0 p0 c0 {9,D} {21,S} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {10,S} - -C10H13(202) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 C u1 p0 c0 {1,S} {7,S} {17,S} -5 C u0 p0 c0 {2,S} {8,D} {16,S} -6 C u0 p0 c0 {3,S} {7,D} {18,S} -7 C u0 p0 c0 {4,S} {6,D} {21,S} -8 C u0 p0 c0 {5,D} {9,S} {20,S} -9 C u0 p0 c0 {8,S} {10,D} {19,S} -10 C u0 p0 c0 {9,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C5H9L2(203) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -5 C u1 p0 c0 {2,S} {4,S} {16,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 L u0 p0 c0 {5,S} - -C11H16(204) -1 C u0 p0 c0 {2,S} {4,S} {7,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -3 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -4 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} -5 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {5,S} {7,D} -7 C u0 p0 c0 {1,S} {6,D} {23,S} -8 C u0 p0 c0 {4,S} {9,D} {22,S} -9 C u0 p0 c0 {8,D} {10,S} {25,S} -10 C u0 p0 c0 {9,S} {11,D} {24,S} -11 C u0 p0 c0 {10,D} {26,S} {27,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {11,S} - -C10H14L(205) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {3,S} {5,S} {9,D} -5 C u1 p0 c0 {2,S} {4,S} {19,S} -6 C u0 p0 c0 {1,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {8,S} {21,S} -8 C u0 p0 c0 {7,S} {10,D} {20,S} -9 C u0 p0 c0 {4,D} {24,S} {25,S} -10 C u0 p0 c0 {8,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 L u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {9,S} - -C7H11LR(206) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 C u1 p0 c0 {2,S} {6,S} {17,S} -6 C u0 p0 c0 {5,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 L u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C8H9R(207) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {9,S} -2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {6,D} {12,S} -4 C u0 p0 c0 {1,S} {7,D} {13,S} -5 C u0 p0 c0 {2,S} {8,D} {14,S} -6 C u0 p0 c0 {3,D} {7,S} {15,S} -7 C u0 p0 c0 {4,D} {6,S} {16,S} -8 C u0 p0 c0 {5,D} {17,S} {18,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 R u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C8H11LR(208) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} -5 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -6 C u1 p0 c0 {3,S} {4,S} {5,S} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {7,D} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 R u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C8H11LR(209) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -2 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -5 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -6 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} -7 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -8 C u1 p0 c0 {2,S} {6,S} {21,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 R u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 L u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} - -C10H13(210) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} -3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 C u1 p0 c0 {1,S} {8,S} {18,S} -5 C u0 p0 c0 {2,S} {9,D} {15,S} -6 C u0 p0 c0 {2,S} {10,D} {16,S} -7 C u0 p0 c0 {3,S} {8,D} {17,S} -8 C u0 p0 c0 {4,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {20,S} {21,S} -10 C u0 p0 c0 {6,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C11H16(211) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {1,S} {7,D} {23,S} -7 C u0 p0 c0 {4,S} {6,D} {22,S} -8 C u0 p0 c0 {3,S} {9,D} {21,S} -9 C u0 p0 c0 {8,D} {10,S} {25,S} -10 C u0 p0 c0 {9,S} {11,D} {24,S} -11 C u0 p0 c0 {10,D} {26,S} {27,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {11,S} - -C7H9LR(212) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {6,D} {15,S} -6 C u0 p0 c0 {4,S} {5,D} {16,S} -7 C u1 p0 c0 {1,S} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 R u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 L u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C8H11R(213) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {5,D} {13,S} -4 C u0 p0 c0 {2,S} {7,D} {14,S} -5 C u0 p0 c0 {3,D} {6,S} {16,S} -6 C u0 p0 c0 {5,S} {8,D} {15,S} -7 C u0 p0 c0 {4,D} {19,S} {20,S} -8 C u0 p0 c0 {6,D} {17,S} {18,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C8H14R(214) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {7,S} {18,S} {19,S} {20,S} -6 C u1 p0 c0 {2,S} {8,S} {22,S} -7 C u0 p0 c0 {5,S} {8,D} {21,S} -8 C u0 p0 c0 {6,S} {7,D} {23,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} - -C7H9LR(215) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {7,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} -6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -7 C u1 p0 c0 {2,S} {6,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 L u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 R u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} - -C8H13R2(216) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} -3 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {7,S} {13,S} {14,S} {15,S} -6 C u1 p0 c0 {1,S} {3,S} {4,S} -7 C u0 p0 c0 {2,S} {5,S} {8,D} -8 C u0 p0 c0 {7,D} {22,S} {23,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 R u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 R u0 p0 c0 {8,S} -23 H u0 p0 c0 {8,S} - -C7H9LR(217) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -5 C u1 p0 c0 {3,S} {4,S} {15,S} -6 C u0 p0 c0 {1,S} {7,D} {16,S} -7 C u0 p0 c0 {6,D} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 L u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 R u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C7H9LR(218) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 C u0 p0 c0 {2,S} {5,D} {13,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {7,S} {14,S} -6 C u0 p0 c0 {4,D} {17,S} {18,S} -7 C u1 p0 c0 {5,S} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 R u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} -17 L u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} - -C3H4L(219) -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 C u1 p0 c0 {1,S} {7,S} {8,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 L u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} - -C4H5R(220) -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 C u0 p0 c0 {2,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 R u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} - -C7H9(221) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 C u1 p0 c0 {2,S} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C9H12R(222) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,D} {14,S} -4 C u1 p0 c0 {2,S} {6,S} {15,S} -5 C u0 p0 c0 {3,D} {7,S} {17,S} -6 C u0 p0 c0 {4,S} {9,D} {18,S} -7 C u0 p0 c0 {5,S} {8,D} {16,S} -8 C u0 p0 c0 {7,D} {19,S} {20,S} -9 C u0 p0 c0 {6,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {8,S} -21 R u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C9H15(223) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {7,D} {20,S} -7 C u0 p0 c0 {6,D} {8,S} {22,S} -8 C u0 p0 c0 {7,S} {9,D} {21,S} -9 C u0 p0 c0 {8,D} {23,S} {24,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C4H6R(224) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {8,S} {9,S} -4 C u1 p0 c0 {2,S} {10,S} {11,S} -5 R u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} - -RC[C]1CC1(225) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 R u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} - -C11H15(226) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {4,S} {9,D} -6 C u1 p0 c0 {1,S} {9,S} {21,S} -7 C u0 p0 c0 {2,S} {10,D} {19,S} -8 C u0 p0 c0 {2,S} {11,D} {20,S} -9 C u0 p0 c0 {5,D} {6,S} {22,S} -10 C u0 p0 c0 {7,D} {23,S} {24,S} -11 C u0 p0 c0 {8,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C9H14R(227) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {7,D} {20,S} -7 C u0 p0 c0 {6,D} {8,S} {22,S} -8 C u0 p0 c0 {7,S} {9,D} {21,S} -9 C u0 p0 c0 {8,D} {23,S} {24,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C9H13LR(228) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {2,S} {4,S} {7,S} -6 C u0 p0 c0 {1,S} {3,S} {8,D} -7 C u0 p0 c0 {5,S} {9,D} {20,S} -8 C u0 p0 c0 {6,D} {21,S} {22,S} -9 C u0 p0 c0 {7,D} {23,S} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 R u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {8,S} -23 L u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C11H16(229) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {7,S} {17,S} {18,S} -5 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {1,S} {5,S} {7,D} -7 C u0 p0 c0 {4,S} {6,D} {23,S} -8 C u0 p0 c0 {3,S} {9,D} {22,S} -9 C u0 p0 c0 {8,D} {10,S} {25,S} -10 C u0 p0 c0 {9,S} {11,D} {24,S} -11 C u0 p0 c0 {10,D} {26,S} {27,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {11,S} - -C7H10L(230) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {4,D} {12,S} -4 C u0 p0 c0 {3,D} {5,S} {14,S} -5 C u0 p0 c0 {4,S} {7,D} {13,S} -6 C u1 p0 c0 {2,S} {15,S} {16,S} -7 C u0 p0 c0 {5,D} {17,S} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {4,S} -15 L u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} - -C9H15(231) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {9,S} {13,S} {14,S} -5 C u0 p0 c0 {7,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {1,S} {5,S} {9,D} -8 C u1 p0 c0 {3,S} {6,S} {23,S} -9 C u0 p0 c0 {4,S} {7,D} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} - -C10H16R(232) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} -5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} -6 C u1 p0 c0 {1,S} {3,S} {4,S} -7 C u0 p0 c0 {5,S} {8,D} {9,S} -8 C u0 p0 c0 {2,S} {7,D} {24,S} -9 C u0 p0 c0 {7,S} {10,D} {25,S} -10 C u0 p0 c0 {9,D} {26,S} {27,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 R u0 p0 c0 {4,S} -22 H u0 p0 c0 {4,S} -23 H u0 p0 c0 {4,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} - -C11H15(233) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {13,S} -3 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {4,S} {6,S} {7,D} -6 C u1 p0 c0 {1,S} {5,S} {22,S} -7 C u0 p0 c0 {3,S} {5,D} {21,S} -8 C u0 p0 c0 {2,S} {10,D} {19,S} -9 C u0 p0 c0 {2,S} {11,D} {20,S} -10 C u0 p0 c0 {8,D} {23,S} {24,S} -11 C u0 p0 c0 {9,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C11H15(234) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {4,S} {8,D} -6 C u1 p0 c0 {3,S} {8,S} {21,S} -7 C u0 p0 c0 {2,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {6,S} {24,S} -9 C u0 p0 c0 {7,D} {10,S} {23,S} -10 C u0 p0 c0 {9,S} {11,D} {22,S} -11 C u0 p0 c0 {10,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C10H15(235) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {7,D} {18,S} -5 C u0 p0 c0 {2,S} {6,D} {17,S} -6 C u0 p0 c0 {5,D} {8,S} {20,S} -7 C u0 p0 c0 {4,D} {9,S} {21,S} -8 C u0 p0 c0 {6,S} {10,D} {19,S} -9 C u1 p0 c0 {7,S} {24,S} {25,S} -10 C u0 p0 c0 {8,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {9,S} - -C8H11LR(236) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u1 p0 c0 {2,S} {6,S} {16,S} -6 C u0 p0 c0 {5,S} {8,D} {17,S} -7 C u0 p0 c0 {4,D} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 L u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C7H12L(237) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {3,S} {7,D} -6 C u1 p0 c0 {2,S} {4,S} {18,S} -7 C u0 p0 c0 {5,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 L u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} - -C11H17(238) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u1 p0 c0 {2,S} {9,S} {23,S} -7 C u0 p0 c0 {4,S} {9,D} {22,S} -8 C u0 p0 c0 {5,D} {10,S} {24,S} -9 C u0 p0 c0 {6,S} {7,D} {26,S} -10 C u0 p0 c0 {8,S} {11,D} {25,S} -11 C u0 p0 c0 {10,D} {27,S} {28,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C6H7(239) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {5,S} {11,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u1 p0 c0 {2,S} {12,S} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} - -C10H13R(240) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {4,S} {9,D} -6 C u0 p0 c0 {3,S} {8,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {6,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {23,S} {24,S} -10 C u0 p0 c0 {6,D} {21,S} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 R u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C9H12L(241) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u1 p0 c0 {2,S} {4,S} {19,S} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 L u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} - -C8H11(242) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {6,D} {15,S} -6 C u0 p0 c0 {3,S} {5,D} {14,S} -7 C u1 p0 c0 {2,S} {16,S} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} - -C10H12L(243) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u1 p0 c0 {2,S} {9,S} {18,S} -6 C u0 p0 c0 {3,S} {8,D} {17,S} -7 C u0 p0 c0 {4,D} {8,S} {20,S} -8 C u0 p0 c0 {6,D} {7,S} {19,S} -9 C u0 p0 c0 {5,S} {10,D} {21,S} -10 C u0 p0 c0 {9,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 L u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C12H14(244) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {9,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {4,S} {11,D} -6 C u0 p0 c0 {3,S} {10,S} {12,D} -7 C u0 p0 c0 {1,S} {10,D} {19,S} -8 C u0 p0 c0 {2,S} {9,D} {21,S} -9 C u0 p0 c0 {4,S} {8,D} {20,S} -10 C u0 p0 c0 {6,S} {7,D} {22,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 C u0 p0 c0 {6,D} {23,S} {24,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {12,S} -24 H u0 p0 c0 {12,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C9H12L(245) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {9,S} {21,S} -9 C u0 p0 c0 {7,D} {8,S} {22,S} -10 L u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C11H14(246) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {7,S} {10,D} -5 C u0 p0 c0 {1,S} {7,D} {17,S} -6 C u0 p0 c0 {3,S} {8,D} {18,S} -7 C u0 p0 c0 {4,S} {5,D} {19,S} -8 C u0 p0 c0 {6,D} {9,S} {21,S} -9 C u0 p0 c0 {8,S} {11,D} {20,S} -10 C u0 p0 c0 {4,D} {22,S} {23,S} -11 C u0 p0 c0 {9,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C10H14R(247) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} -6 C u1 p0 c0 {1,S} {4,S} {5,S} -7 C u0 p0 c0 {2,S} {3,S} {9,D} -8 C u0 p0 c0 {3,S} {10,D} {23,S} -9 C u0 p0 c0 {7,D} {10,S} {25,S} -10 C u0 p0 c0 {8,D} {9,S} {24,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 R u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} - -C11H14L(248) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u1 p0 c0 {2,S} {4,S} {9,S} -7 C u0 p0 c0 {3,S} {10,D} {21,S} -8 C u0 p0 c0 {5,D} {10,S} {23,S} -9 C u0 p0 c0 {6,S} {11,D} {24,S} -10 C u0 p0 c0 {7,D} {8,S} {22,S} -11 C u0 p0 c0 {9,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 L u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C10H12L(249) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} -6 C u0 p0 c0 {4,S} {5,S} {9,D} -7 C u1 p0 c0 {2,S} {9,S} {19,S} -8 C u0 p0 c0 {1,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {7,S} {21,S} -10 C u0 p0 c0 {8,D} {22,S} {23,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 L u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C10H14R(250) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {4,S} {5,S} {10,D} -9 C u1 p0 c0 {2,S} {10,S} {24,S} -10 C u0 p0 c0 {8,D} {9,S} {25,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 R u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} - -C11H14(251) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {3,S} {10,D} -5 C u0 p0 c0 {1,S} {6,D} {18,S} -6 C u0 p0 c0 {3,S} {5,D} {17,S} -7 C u0 p0 c0 {2,S} {8,D} {19,S} -8 C u0 p0 c0 {7,D} {9,S} {21,S} -9 C u0 p0 c0 {8,S} {11,D} {20,S} -10 C u0 p0 c0 {4,D} {22,S} {23,S} -11 C u0 p0 c0 {9,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C6H6(252) -1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {5,S} {8,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} - -C9H15L2(253) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {1,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {6,S} {25,S} -9 C u0 p0 c0 {3,S} {7,D} {26,S} -10 L u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 L u0 p0 c0 {8,S} -26 H u0 p0 c0 {9,S} - -C12H14(254) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {14,S} -3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {9,S} {11,D} -6 C u0 p0 c0 {4,S} {10,S} {12,D} -7 C u0 p0 c0 {1,S} {9,D} {19,S} -8 C u0 p0 c0 {2,S} {10,D} {20,S} -9 C u0 p0 c0 {5,S} {7,D} {21,S} -10 C u0 p0 c0 {6,S} {8,D} {22,S} -11 C u0 p0 c0 {5,D} {23,S} {24,S} -12 C u0 p0 c0 {6,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} - -C12H14(255) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {14,S} -3 C u0 p0 c0 {5,S} {9,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {10,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {11,D} -6 C u0 p0 c0 {2,S} {4,S} {12,D} -7 C u0 p0 c0 {1,S} {9,D} {20,S} -8 C u0 p0 c0 {2,S} {10,D} {22,S} -9 C u0 p0 c0 {3,S} {7,D} {19,S} -10 C u0 p0 c0 {4,S} {8,D} {21,S} -11 C u0 p0 c0 {5,D} {23,S} {24,S} -12 C u0 p0 c0 {6,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} - -C11H15(256) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} -4 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u1 p0 c0 {2,S} {10,S} {23,S} -7 C u0 p0 c0 {3,S} {11,D} {21,S} -8 C u0 p0 c0 {4,S} {10,D} {22,S} -9 C u0 p0 c0 {5,D} {11,S} {25,S} -10 C u0 p0 c0 {6,S} {8,D} {26,S} -11 C u0 p0 c0 {7,D} {9,S} {24,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} - -C12H14(257) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 C u0 p0 c0 {5,S} {8,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {4,S} {10,D} -6 C u0 p0 c0 {3,S} {9,S} {12,D} -7 C u0 p0 c0 {1,S} {9,D} {20,S} -8 C u0 p0 c0 {4,S} {11,D} {21,S} -9 C u0 p0 c0 {6,S} {7,D} {22,S} -10 C u0 p0 c0 {5,D} {11,S} {24,S} -11 C u0 p0 c0 {8,D} {10,S} {23,S} -12 C u0 p0 c0 {6,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} - -C11H14L(258) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {7,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {7,S} {15,S} {16,S} -6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} -7 C u0 p0 c0 {4,S} {5,S} {10,D} -8 C u0 p0 c0 {1,S} {11,D} {23,S} -9 C u1 p0 c0 {2,S} {10,S} {22,S} -10 C u0 p0 c0 {7,D} {9,S} {24,S} -11 C u0 p0 c0 {8,D} {25,S} {26,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {10,S} -25 L u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C12H18L(259) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} -3 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {9,S} {15,S} {16,S} -5 C u0 p0 c0 {9,S} {10,S} {21,S} {22,S} -6 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} -7 C u0 p0 c0 {8,S} {26,S} {27,S} {28,S} -8 C u1 p0 c0 {2,S} {3,S} {7,S} -9 C u0 p0 c0 {4,S} {5,S} {11,D} -10 C u0 p0 c0 {5,S} {12,D} {29,S} -11 C u0 p0 c0 {9,D} {12,S} {31,S} -12 C u0 p0 c0 {10,D} {11,S} {30,S} -13 L u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 H u0 p0 c0 {7,S} -29 H u0 p0 c0 {10,S} -30 H u0 p0 c0 {12,S} -31 H u0 p0 c0 {11,S} - -C9H13(260) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {8,S} {9,D} -6 C u1 p0 c0 {3,S} {4,S} {18,S} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {5,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C12H14(261) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {9,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {3,S} {12,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {21,S} -8 C u0 p0 c0 {3,S} {7,D} {20,S} -9 C u0 p0 c0 {4,S} {11,D} {22,S} -10 C u0 p0 c0 {6,D} {11,S} {24,S} -11 C u0 p0 c0 {9,D} {10,S} {23,S} -12 C u0 p0 c0 {5,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} - -C5H7L(262) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {3,D} {9,S} -3 C u0 p0 c0 {2,D} {4,S} {10,S} -4 C u0 p0 c0 {3,S} {5,D} {11,S} -5 C u0 p0 c0 {4,D} {12,S} {13,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 L u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} - -C9H11R(263) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {7,S} {8,D} -5 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {3,S} {9,D} {16,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 R u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C9H11R(264) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {6,D} {16,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 C u0 p0 c0 {2,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {7,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 R u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C11H15(265) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} -6 C u0 p0 c0 {10,S} {20,S} {21,S} {22,S} -7 C u1 p0 c0 {4,S} {5,S} {11,S} -8 C u0 p0 c0 {1,S} {10,D} {25,S} -9 C u0 p0 c0 {2,S} {11,D} {24,S} -10 C u0 p0 c0 {6,S} {8,D} {23,S} -11 C u0 p0 c0 {7,S} {9,D} {26,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {11,S} - -C12H17(266) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -3 C u0 p0 c0 {6,S} {8,S} {17,S} {18,S} -4 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {9,S} {22,S} {23,S} {24,S} -6 C u0 p0 c0 {1,S} {3,S} {11,D} -7 C u1 p0 c0 {2,S} {4,S} {10,S} -8 C u0 p0 c0 {3,S} {12,D} {25,S} -9 C u0 p0 c0 {5,S} {10,D} {26,S} -10 C u0 p0 c0 {7,S} {9,D} {29,S} -11 C u0 p0 c0 {6,D} {12,S} {28,S} -12 C u0 p0 c0 {8,D} {11,S} {27,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {5,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {11,S} -29 H u0 p0 c0 {10,S} - -C12H16(267) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {14,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {7,S} {19,S} {20,S} -6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {5,S} {6,S} {9,D} -8 C u0 p0 c0 {4,S} {11,S} {12,D} -9 C u0 p0 c0 {1,S} {7,D} {25,S} -10 C u0 p0 c0 {2,S} {11,D} {24,S} -11 C u0 p0 c0 {8,S} {10,D} {26,S} -12 C u0 p0 c0 {8,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C9H11R(268) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {7,S} {8,D} -5 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {3,S} {9,D} {16,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 R u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C12H16(269) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {10,S} {14,S} -3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} -4 C u0 p0 c0 {3,S} {8,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {11,S} {19,S} {20,S} -6 C u0 p0 c0 {8,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {5,S} {12,D} -8 C u0 p0 c0 {4,S} {6,S} {9,D} -9 C u0 p0 c0 {1,S} {8,D} {26,S} -10 C u0 p0 c0 {2,S} {11,D} {25,S} -11 C u0 p0 c0 {5,S} {10,D} {24,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C9H11R(270) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {6,D} {16,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 C u0 p0 c0 {2,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {7,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 R u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C11H14(271) -1 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {2,S} {9,D} {19,S} -6 C u0 p0 c0 {3,S} {8,D} {18,S} -7 C u0 p0 c0 {4,D} {8,S} {21,S} -8 C u0 p0 c0 {6,D} {7,S} {20,S} -9 C u0 p0 c0 {5,D} {10,S} {23,S} -10 C u0 p0 c0 {9,S} {11,D} {22,S} -11 C u0 p0 c0 {10,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C9H12(272) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {7,S} {8,D} -5 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {3,S} {9,D} {16,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C12H16(273) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {10,S} {18,S} {19,S} -6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {4,S} {11,S} {12,D} -8 C u0 p0 c0 {1,S} {10,D} {25,S} -9 C u0 p0 c0 {2,S} {11,D} {23,S} -10 C u0 p0 c0 {5,S} {8,D} {24,S} -11 C u0 p0 c0 {7,S} {9,D} {26,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C11H14(274) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {6,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {9,S} {18,S} {19,S} -6 C u0 p0 c0 {4,S} {10,S} {11,D} -7 C u0 p0 c0 {1,S} {9,D} {22,S} -8 C u0 p0 c0 {2,S} {10,D} {20,S} -9 C u0 p0 c0 {5,S} {7,D} {21,S} -10 C u0 p0 c0 {6,S} {8,D} {23,S} -11 C u0 p0 c0 {6,D} {24,S} {25,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C9H12(275) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {6,D} {16,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 C u0 p0 c0 {2,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {7,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C11H14(276) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {13,S} -3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -4 C u0 p0 c0 {3,S} {9,S} {16,S} {17,S} -5 C u0 p0 c0 {6,S} {10,S} {18,S} {19,S} -6 C u0 p0 c0 {2,S} {5,S} {11,D} -7 C u0 p0 c0 {1,S} {9,D} {23,S} -8 C u0 p0 c0 {2,S} {10,D} {21,S} -9 C u0 p0 c0 {4,S} {7,D} {22,S} -10 C u0 p0 c0 {5,S} {8,D} {20,S} -11 C u0 p0 c0 {6,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C12H14(277) -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -3 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {8,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {3,S} {11,D} {21,S} -8 C u0 p0 c0 {4,S} {12,D} {22,S} -9 C u0 p0 c0 {5,D} {11,S} {24,S} -10 C u0 p0 c0 {6,D} {12,S} {26,S} -11 C u0 p0 c0 {7,D} {9,S} {23,S} -12 C u0 p0 c0 {8,D} {10,S} {25,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {10,S} - -C11H14(278) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {13,S} -3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -4 C u0 p0 c0 {3,S} {8,S} {9,D} -5 C u0 p0 c0 {1,S} {8,D} {18,S} -6 C u0 p0 c0 {2,S} {10,D} {16,S} -7 C u0 p0 c0 {2,S} {11,D} {17,S} -8 C u0 p0 c0 {4,S} {5,D} {19,S} -9 C u0 p0 c0 {4,D} {24,S} {25,S} -10 C u0 p0 c0 {6,D} {20,S} {21,S} -11 C u0 p0 c0 {7,D} {22,S} {23,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {9,S} - -C11H14(279) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {13,S} -3 C u0 p0 c0 {4,S} {6,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {9,D} -5 C u0 p0 c0 {1,S} {6,D} {17,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 C u0 p0 c0 {2,S} {10,D} {18,S} -8 C u0 p0 c0 {2,S} {11,D} {19,S} -9 C u0 p0 c0 {4,D} {20,S} {21,S} -10 C u0 p0 c0 {7,D} {22,S} {23,S} -11 C u0 p0 c0 {8,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C12H16(280) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {7,S} {9,S} {13,S} -3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -4 C u0 p0 c0 {3,S} {10,S} {16,S} {17,S} -5 C u0 p0 c0 {7,S} {11,S} {18,S} {19,S} -6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {2,S} {5,S} {12,D} -8 C u0 p0 c0 {1,S} {10,D} {26,S} -9 C u0 p0 c0 {2,S} {11,D} {24,S} -10 C u0 p0 c0 {4,S} {8,D} {25,S} -11 C u0 p0 c0 {5,S} {9,D} {23,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C13H20R(281) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {7,S} {14,S} -2 C u0 p0 c0 {1,S} {9,S} {17,S} {18,S} -3 C u0 p0 c0 {4,S} {9,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} -5 C u0 p0 c0 {10,S} {11,S} {21,S} {22,S} -6 C u0 p0 c0 {1,S} {23,S} {24,S} {25,S} -7 C u0 p0 c0 {1,S} {26,S} {27,S} {28,S} -8 C u0 p0 c0 {9,S} {29,S} {30,S} {31,S} -9 C u1 p0 c0 {2,S} {3,S} {8,S} -10 C u0 p0 c0 {4,S} {5,S} {12,D} -11 C u0 p0 c0 {5,S} {13,D} {32,S} -12 C u0 p0 c0 {10,D} {13,S} {34,S} -13 C u0 p0 c0 {11,D} {12,S} {33,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 R u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 H u0 p0 c0 {7,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {8,S} -31 H u0 p0 c0 {8,S} -32 H u0 p0 c0 {11,S} -33 H u0 p0 c0 {13,S} -34 H u0 p0 c0 {12,S} - -C10H12L(282) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {9,D} -5 C u0 p0 c0 {1,S} {7,D} {16,S} -6 C u1 p0 c0 {3,S} {8,S} {17,S} -7 C u0 p0 c0 {4,S} {5,D} {18,S} -8 C u0 p0 c0 {6,S} {10,D} {19,S} -9 C u0 p0 c0 {4,D} {20,S} {21,S} -10 C u0 p0 c0 {8,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} -22 L u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C12H15(283) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {9,S} {14,S} -3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {10,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {2,S} {4,S} {12,D} -7 C u0 p0 c0 {3,S} {5,S} {11,D} -8 C u1 p0 c0 {1,S} {11,S} {24,S} -9 C u0 p0 c0 {2,S} {10,D} {23,S} -10 C u0 p0 c0 {4,S} {9,D} {22,S} -11 C u0 p0 c0 {7,D} {8,S} {25,S} -12 C u0 p0 c0 {6,D} {26,S} {27,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {12,S} - -C11H12(284) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {13,S} -3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -4 C u0 p0 c0 {3,S} {8,S} {11,D} -5 C u0 p0 c0 {1,S} {8,D} {16,S} -6 C u0 p0 c0 {2,S} {9,D} {17,S} -7 C u0 p0 c0 {2,S} {10,D} {18,S} -8 C u0 p0 c0 {4,S} {5,D} {19,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {7,D} {9,S} {21,S} -11 C u0 p0 c0 {4,D} {22,S} {23,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {11,S} - -C6H9R(285) -1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {6,D} -4 C u0 p0 c0 {2,S} {5,D} {13,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {3,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 R u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C7H12R(286) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u1 p0 c0 {1,S} {3,S} {7,S} -6 C u0 p0 c0 {4,S} {7,D} {19,S} -7 C u0 p0 c0 {5,S} {6,D} {20,S} -8 R u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} - -C6H8R(287) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {5,D} -3 C u0 p0 c0 {2,S} {4,D} {10,S} -4 C u0 p0 c0 {3,D} {6,S} {11,S} -5 C u0 p0 c0 {2,D} {12,S} {13,S} -6 C u1 p0 c0 {4,S} {14,S} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 R u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -C6H8R(288) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u1 p0 c0 {1,S} {3,S} {6,S} -5 C u0 p0 c0 {2,S} {6,D} {14,S} -6 C u0 p0 c0 {4,S} {5,D} {15,S} -7 H u0 p0 c0 {1,S} -8 R u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} - -C10H13LR(289) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {3,S} {7,S} {9,D} -5 C u0 p0 c0 {1,S} {7,D} {18,S} -6 C u1 p0 c0 {2,S} {8,S} {19,S} -7 C u0 p0 c0 {4,S} {5,D} {20,S} -8 C u0 p0 c0 {6,S} {10,D} {21,S} -9 C u0 p0 c0 {4,D} {22,S} {23,S} -10 C u0 p0 c0 {8,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 R u0 p0 c0 {9,S} -24 L u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C6H8(290) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,S} {6,D} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {3,S} {4,D} {12,S} -6 C u0 p0 c0 {3,D} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} - -C8H12R(291) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {1,S} {8,D} {15,S} -6 C u1 p0 c0 {2,S} {16,S} {17,S} -7 C u0 p0 c0 {4,D} {18,S} {19,S} -8 C u0 p0 c0 {5,D} {20,S} {21,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} - -C10H12L(292) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u1 p0 c0 {2,S} {9,S} {18,S} -6 C u0 p0 c0 {3,S} {8,D} {17,S} -7 C u0 p0 c0 {4,D} {8,S} {20,S} -8 C u0 p0 c0 {6,D} {7,S} {19,S} -9 C u0 p0 c0 {5,S} {10,D} {21,S} -10 C u0 p0 c0 {9,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 L u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C9H12L(293) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {8,S} {9,D} -6 C u1 p0 c0 {3,S} {4,S} {18,S} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {5,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 L u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C12H18L(294) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {6,S} {11,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} -4 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {9,S} {14,S} {15,S} -6 C u0 p0 c0 {2,S} {10,S} {22,S} {23,S} -7 C u0 p0 c0 {4,S} {10,S} {20,S} {21,S} -8 C u0 p0 c0 {1,S} {27,S} {28,S} {29,S} -9 C u0 p0 c0 {5,S} {24,S} {25,S} {26,S} -10 C u0 p0 c0 {6,S} {7,S} {12,D} -11 C u1 p0 c0 {2,S} {12,S} {30,S} -12 C u0 p0 c0 {10,D} {11,S} {31,S} -13 H u0 p0 c0 {2,S} -14 L u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {11,S} -31 H u0 p0 c0 {12,S} - -C11H15LR(295) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {19,S} {20,S} {21,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u1 p0 c0 {1,S} {3,S} {9,S} -6 C u0 p0 c0 {4,S} {8,S} {10,D} -7 C u0 p0 c0 {2,S} {8,D} {22,S} -8 C u0 p0 c0 {6,S} {7,D} {23,S} -9 C u0 p0 c0 {5,S} {11,D} {24,S} -10 C u0 p0 c0 {6,D} {25,S} {26,S} -11 C u0 p0 c0 {9,D} {27,S} {28,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {3,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 R u0 p0 c0 {10,S} -27 L u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C12H15R(296) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {4,S} {8,D} -6 C u0 p0 c0 {3,S} {9,S} {11,D} -7 C u0 p0 c0 {1,S} {9,D} {21,S} -8 C u0 p0 c0 {5,D} {10,S} {22,S} -9 C u0 p0 c0 {6,S} {7,D} {24,S} -10 C u0 p0 c0 {8,S} {12,D} {23,S} -11 C u0 p0 c0 {6,D} {27,S} {28,S} -12 C u0 p0 c0 {10,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 R u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C11H14L(297) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u1 p0 c0 {2,S} {4,S} {9,S} -6 C u0 p0 c0 {3,S} {8,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {20,S} -8 C u0 p0 c0 {6,S} {7,D} {21,S} -9 C u0 p0 c0 {5,S} {11,D} {22,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 C u0 p0 c0 {9,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} -25 L u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C11H13(298) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {13,S} -3 C u0 p0 c0 {1,S} {9,S} {14,S} {15,S} -4 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {4,S} {11,D} -6 C u1 p0 c0 {1,S} {10,S} {21,S} -7 C u0 p0 c0 {2,S} {8,D} {19,S} -8 C u0 p0 c0 {4,S} {7,D} {18,S} -9 C u0 p0 c0 {3,S} {10,D} {20,S} -10 C u0 p0 c0 {6,S} {9,D} {22,S} -11 C u0 p0 c0 {5,D} {23,S} {24,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {11,S} - -C9H13LR(299) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {8,S} {9,D} -6 C u1 p0 c0 {1,S} {4,S} {20,S} -7 C u0 p0 c0 {2,S} {8,D} {21,S} -8 C u0 p0 c0 {5,S} {7,D} {22,S} -9 C u0 p0 c0 {5,D} {23,S} {24,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 L u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 R u0 p0 c0 {9,S} - -C12H15R(300) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {4,S} {10,D} -6 C u0 p0 c0 {3,S} {9,S} {11,D} -7 C u0 p0 c0 {1,S} {9,D} {21,S} -8 C u0 p0 c0 {2,S} {12,D} {20,S} -9 C u0 p0 c0 {6,S} {7,D} {22,S} -10 C u0 p0 c0 {5,D} {23,S} {24,S} -11 C u0 p0 c0 {6,D} {27,S} {28,S} -12 C u0 p0 c0 {8,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 R u0 p0 c0 {10,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C12H15R(301) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} -3 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {10,S} {12,D} -6 C u0 p0 c0 {4,S} {9,S} {11,D} -7 C u0 p0 c0 {1,S} {10,D} {22,S} -8 C u0 p0 c0 {3,S} {9,D} {21,S} -9 C u0 p0 c0 {6,S} {8,D} {23,S} -10 C u0 p0 c0 {5,S} {7,D} {24,S} -11 C u0 p0 c0 {6,D} {25,S} {26,S} -12 C u0 p0 c0 {5,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 R u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H15R(302) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {11,D} -6 C u0 p0 c0 {2,S} {4,S} {9,D} -7 C u0 p0 c0 {1,S} {8,D} {22,S} -8 C u0 p0 c0 {3,S} {7,D} {21,S} -9 C u0 p0 c0 {6,D} {10,S} {23,S} -10 C u0 p0 c0 {9,S} {12,D} {24,S} -11 C u0 p0 c0 {5,D} {27,S} {28,S} -12 C u0 p0 c0 {10,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 R u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C12H15R(303) -1 C u0 p0 c0 {2,S} {6,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {14,S} -3 C u0 p0 c0 {5,S} {9,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {3,S} {11,D} -6 C u0 p0 c0 {1,S} {4,S} {10,D} -7 C u0 p0 c0 {2,S} {9,D} {22,S} -8 C u0 p0 c0 {1,S} {12,D} {20,S} -9 C u0 p0 c0 {3,S} {7,D} {21,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 C u0 p0 c0 {5,D} {27,S} {28,S} -12 C u0 p0 c0 {8,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {10,S} -24 R u0 p0 c0 {10,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C12H15R(304) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {9,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {11,D} -6 C u0 p0 c0 {4,S} {10,S} {12,D} -7 C u0 p0 c0 {1,S} {9,D} {23,S} -8 C u0 p0 c0 {2,S} {10,D} {21,S} -9 C u0 p0 c0 {3,S} {7,D} {22,S} -10 C u0 p0 c0 {6,S} {8,D} {24,S} -11 C u0 p0 c0 {5,D} {27,S} {28,S} -12 C u0 p0 c0 {6,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {12,S} -26 R u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C12H16R2(305) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {2,S} {3,S} {8,D} -6 C u0 p0 c0 {1,S} {4,S} {10,D} -7 C u0 p0 c0 {1,S} {11,D} {22,S} -8 C u0 p0 c0 {5,D} {9,S} {23,S} -9 C u0 p0 c0 {8,S} {12,D} {24,S} -10 C u0 p0 c0 {6,D} {27,S} {28,S} -11 C u0 p0 c0 {7,D} {29,S} {30,S} -12 C u0 p0 c0 {9,D} {25,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 R u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {10,S} -28 R u0 p0 c0 {10,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {11,S} - -C12H15R(306) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {14,S} -3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {8,S} {19,S} {20,S} -5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} -6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {5,S} {6,S} {9,D} -8 C u0 p0 c0 {4,S} {11,S} {12,D} -9 C u0 p0 c0 {1,S} {7,D} {24,S} -10 C u0 p0 c0 {2,S} {11,D} {25,S} -11 C u0 p0 c0 {8,S} {10,D} {26,S} -12 C u0 p0 c0 {8,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 R u0 p0 c0 {5,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C10H12L(307) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} -6 C u0 p0 c0 {4,S} {5,S} {9,D} -7 C u1 p0 c0 {2,S} {9,S} {19,S} -8 C u0 p0 c0 {1,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {7,S} {21,S} -10 C u0 p0 c0 {8,D} {22,S} {23,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 L u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C12H16(308) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {14,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {9,S} {19,S} {20,S} -6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {1,S} {6,S} {9,D} -8 C u0 p0 c0 {4,S} {11,S} {12,D} -9 C u0 p0 c0 {5,S} {7,D} {25,S} -10 C u0 p0 c0 {2,S} {11,D} {24,S} -11 C u0 p0 c0 {8,S} {10,D} {26,S} -12 C u0 p0 c0 {8,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(309) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {8,S} {10,S} {14,S} -3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} -4 C u0 p0 c0 {3,S} {9,S} {17,S} {18,S} -5 C u0 p0 c0 {8,S} {11,S} {19,S} {20,S} -6 C u0 p0 c0 {7,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {1,S} {6,S} {9,D} -8 C u0 p0 c0 {2,S} {5,S} {12,D} -9 C u0 p0 c0 {4,S} {7,D} {26,S} -10 C u0 p0 c0 {2,S} {11,D} {25,S} -11 C u0 p0 c0 {5,S} {10,D} {24,S} -12 C u0 p0 c0 {8,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C13H20R(310) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {4,S} {9,S} {10,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {12,S} {15,S} -4 C u0 p0 c0 {1,S} {2,S} {16,S} {17,S} -5 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} -6 C u0 p0 c0 {3,S} {11,S} {22,S} {23,S} -7 C u0 p0 c0 {5,S} {11,S} {20,S} {21,S} -8 C u0 p0 c0 {1,S} {30,S} {31,S} {32,S} -9 C u0 p0 c0 {2,S} {24,S} {25,S} {26,S} -10 C u0 p0 c0 {2,S} {27,S} {28,S} {29,S} -11 C u0 p0 c0 {6,S} {7,S} {13,D} -12 C u1 p0 c0 {3,S} {13,S} {33,S} -13 C u0 p0 c0 {11,D} {12,S} {34,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {9,S} -27 R u0 p0 c0 {10,S} -28 H u0 p0 c0 {10,S} -29 H u0 p0 c0 {10,S} -30 H u0 p0 c0 {8,S} -31 H u0 p0 c0 {8,S} -32 H u0 p0 c0 {8,S} -33 H u0 p0 c0 {12,S} -34 H u0 p0 c0 {13,S} - -C9H13(311) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u1 p0 c0 {2,S} {4,S} {19,S} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} - -C9H13(312) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u1 p0 c0 {4,S} {5,S} {9,S} -8 C u0 p0 c0 {2,S} {9,D} {21,S} -9 C u0 p0 c0 {7,S} {8,D} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C9H13(313) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -4 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {5,S} {21,S} -9 C u0 p0 c0 {2,S} {7,D} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C9H12L(314) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -4 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {5,S} {21,S} -9 C u0 p0 c0 {2,S} {7,D} {22,S} -10 L u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C12H16R2(315) -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -3 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -4 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u0 p0 c0 {4,S} {9,S} {11,D} -7 C u0 p0 c0 {2,S} {9,D} {23,S} -8 C u0 p0 c0 {5,D} {10,S} {24,S} -9 C u0 p0 c0 {6,S} {7,D} {26,S} -10 C u0 p0 c0 {8,S} {12,D} {25,S} -11 C u0 p0 c0 {6,D} {29,S} {30,S} -12 C u0 p0 c0 {10,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 R u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {4,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {11,S} -30 R u0 p0 c0 {11,S} - -C10H14R(316) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -6 C u1 p0 c0 {2,S} {4,S} {5,S} -7 C u0 p0 c0 {3,S} {9,S} {10,D} -8 C u0 p0 c0 {1,S} {9,D} {22,S} -9 C u0 p0 c0 {7,S} {8,D} {23,S} -10 C u0 p0 c0 {7,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 R u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C12H15R(317) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {10,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {4,S} {11,S} {12,D} -8 C u0 p0 c0 {1,S} {10,D} {24,S} -9 C u0 p0 c0 {2,S} {11,D} {25,S} -10 C u0 p0 c0 {5,S} {8,D} {23,S} -11 C u0 p0 c0 {7,S} {9,D} {26,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 R u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C10H15R2(318) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -3 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} -5 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} -6 C u1 p0 c0 {1,S} {3,S} {4,S} -7 C u0 p0 c0 {5,S} {9,S} {10,D} -8 C u0 p0 c0 {2,S} {9,D} {24,S} -9 C u0 p0 c0 {7,S} {8,D} {25,S} -10 C u0 p0 c0 {7,D} {26,S} {27,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 R u0 p0 c0 {4,S} -22 H u0 p0 c0 {4,S} -23 H u0 p0 c0 {4,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 R u0 p0 c0 {10,S} - -C12H16R2(319) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {10,D} -6 C u0 p0 c0 {4,S} {9,S} {11,D} -7 C u0 p0 c0 {1,S} {12,D} {22,S} -8 C u0 p0 c0 {2,S} {9,D} {23,S} -9 C u0 p0 c0 {6,S} {8,D} {24,S} -10 C u0 p0 c0 {5,D} {25,S} {26,S} -11 C u0 p0 c0 {6,D} {29,S} {30,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 R u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {11,S} -30 R u0 p0 c0 {11,S} - -C12H15R(320) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {10,S} {14,S} -3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} -4 C u0 p0 c0 {3,S} {8,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {11,S} {19,S} {20,S} -6 C u0 p0 c0 {8,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {2,S} {5,S} {12,D} -8 C u0 p0 c0 {4,S} {6,S} {9,D} -9 C u0 p0 c0 {1,S} {8,D} {24,S} -10 C u0 p0 c0 {2,S} {11,D} {26,S} -11 C u0 p0 c0 {5,S} {10,D} {25,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 R u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H15R(321) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {7,S} {9,S} {13,S} -3 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -4 C u0 p0 c0 {3,S} {10,S} {16,S} {17,S} -5 C u0 p0 c0 {7,S} {11,S} {18,S} {19,S} -6 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {2,S} {5,S} {12,D} -8 C u0 p0 c0 {1,S} {10,D} {24,S} -9 C u0 p0 c0 {2,S} {11,D} {26,S} -10 C u0 p0 c0 {4,S} {8,D} {23,S} -11 C u0 p0 c0 {5,S} {9,D} {25,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 R u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H15R(322) -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {5,S} {15,S} {16,S} -3 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {2,S} {3,S} {9,D} -6 C u0 p0 c0 {1,S} {4,S} {8,D} -7 C u0 p0 c0 {3,S} {10,D} {22,S} -8 C u0 p0 c0 {6,D} {11,S} {23,S} -9 C u0 p0 c0 {5,D} {10,S} {26,S} -10 C u0 p0 c0 {7,D} {9,S} {25,S} -11 C u0 p0 c0 {8,S} {12,D} {24,S} -12 C u0 p0 c0 {11,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 R u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H15(323) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {9,S} {14,S} -3 C u0 p0 c0 {1,S} {10,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {11,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {2,S} {4,S} {12,D} -7 C u0 p0 c0 {5,S} {8,S} {10,D} -8 C u1 p0 c0 {1,S} {7,S} {25,S} -9 C u0 p0 c0 {2,S} {11,D} {23,S} -10 C u0 p0 c0 {3,S} {7,D} {24,S} -11 C u0 p0 c0 {4,S} {9,D} {22,S} -12 C u0 p0 c0 {6,D} {26,S} {27,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {12,S} - -C10H12R(324) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u1 p0 c0 {2,S} {9,S} {18,S} -6 C u0 p0 c0 {3,S} {8,D} {17,S} -7 C u0 p0 c0 {4,D} {8,S} {20,S} -8 C u0 p0 c0 {6,D} {7,S} {19,S} -9 C u0 p0 c0 {5,S} {10,D} {21,S} -10 C u0 p0 c0 {9,D} {22,S} {23,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 R u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C6H11L(325) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {6,D} {18,S} -6 C u0 p0 c0 {4,S} {5,D} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 L u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} - -C11H14L(326) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {4,S} {7,S} {11,D} -7 C u1 p0 c0 {2,S} {6,S} {22,S} -8 C u0 p0 c0 {3,S} {10,D} {21,S} -9 C u0 p0 c0 {5,D} {10,S} {24,S} -10 C u0 p0 c0 {8,D} {9,S} {23,S} -11 C u0 p0 c0 {6,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 L u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C11H14L(327) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {12,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} -6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {4,S} {5,S} {10,D} -8 C u0 p0 c0 {1,S} {6,S} {11,D} -9 C u1 p0 c0 {2,S} {10,S} {23,S} -10 C u0 p0 c0 {7,D} {9,S} {24,S} -11 C u0 p0 c0 {8,D} {25,S} {26,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 L u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C8H10L(328) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {6,S} {8,D} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {4,S} {5,D} {15,S} -7 C u1 p0 c0 {3,S} {16,S} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 L u0 p0 c0 {7,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} - -C11H12(329) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {13,S} -3 C u0 p0 c0 {4,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {11,D} -5 C u0 p0 c0 {1,S} {8,D} {17,S} -6 C u0 p0 c0 {2,S} {9,D} {18,S} -7 C u0 p0 c0 {2,S} {10,D} {19,S} -8 C u0 p0 c0 {3,S} {5,D} {16,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {7,D} {9,S} {21,S} -11 C u0 p0 c0 {4,D} {22,S} {23,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {11,S} - -C7H13R(330) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -6 C u0 p0 c0 {4,S} {5,S} {7,D} -7 C u0 p0 c0 {1,S} {6,D} {21,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 R u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {7,S} - -C11H14(331) -1 C u0 p0 c0 {2,S} {5,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {10,D} {18,S} -6 C u0 p0 c0 {1,S} {11,D} {19,S} -7 C u0 p0 c0 {3,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {9,S} {21,S} -9 C u0 p0 c0 {7,D} {8,S} {20,S} -10 C u0 p0 c0 {5,D} {22,S} {23,S} -11 C u0 p0 c0 {6,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} - -C9H14L(332) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {9,S} {13,S} {14,S} -5 C u0 p0 c0 {7,S} {17,S} {18,S} {19,S} -6 C u0 p0 c0 {8,S} {20,S} {21,S} {22,S} -7 C u0 p0 c0 {1,S} {5,S} {9,D} -8 C u1 p0 c0 {3,S} {6,S} {23,S} -9 C u0 p0 c0 {4,S} {7,D} {24,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 L u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} - -C10H12R(333) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {6,S} {17,S} {18,S} -5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} -6 C u0 p0 c0 {4,S} {5,S} {9,D} -7 C u1 p0 c0 {2,S} {9,S} {19,S} -8 C u0 p0 c0 {1,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {7,S} {21,S} -10 C u0 p0 c0 {8,D} {22,S} {23,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 R u0 p0 c0 {10,S} -23 H u0 p0 c0 {10,S} - -C12H15R(334) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {3,S} {9,D} -6 C u0 p0 c0 {1,S} {4,S} {11,D} -7 C u0 p0 c0 {1,S} {12,D} {21,S} -8 C u0 p0 c0 {3,S} {10,D} {22,S} -9 C u0 p0 c0 {5,D} {10,S} {24,S} -10 C u0 p0 c0 {8,D} {9,S} {23,S} -11 C u0 p0 c0 {6,D} {25,S} {26,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 R u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(335) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {4,S} {9,D} -6 C u0 p0 c0 {3,S} {8,S} {11,D} -7 C u0 p0 c0 {1,S} {8,D} {21,S} -8 C u0 p0 c0 {6,S} {7,D} {22,S} -9 C u0 p0 c0 {5,D} {10,S} {23,S} -10 C u0 p0 c0 {9,S} {12,D} {24,S} -11 C u0 p0 c0 {6,D} {25,S} {26,S} -12 C u0 p0 c0 {10,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H15R(336) -1 C u0 p0 c0 {2,S} {5,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -3 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {10,D} -6 C u0 p0 c0 {4,S} {9,S} {12,D} -7 C u0 p0 c0 {2,S} {9,D} {22,S} -8 C u0 p0 c0 {3,S} {11,D} {23,S} -9 C u0 p0 c0 {6,S} {7,D} {24,S} -10 C u0 p0 c0 {5,D} {11,S} {26,S} -11 C u0 p0 c0 {8,D} {10,S} {25,S} -12 C u0 p0 c0 {6,D} {27,S} {28,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 R u0 p0 c0 {12,S} - -C12H15(337) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {13,S} -2 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {7,S} {9,S} {18,S} {19,S} -5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} -6 C u0 p0 c0 {1,S} {5,S} {10,D} -7 C u0 p0 c0 {2,S} {4,S} {11,D} -8 C u1 p0 c0 {3,S} {10,S} {24,S} -9 C u0 p0 c0 {4,S} {12,D} {23,S} -10 C u0 p0 c0 {6,D} {8,S} {27,S} -11 C u0 p0 c0 {7,D} {12,S} {26,S} -12 C u0 p0 c0 {9,D} {11,S} {25,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {10,S} - -C9H13R(338) -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u0 p0 c0 {2,S} {8,D} {17,S} -6 C u0 p0 c0 {4,D} {7,S} {18,S} -7 C u0 p0 c0 {6,S} {9,D} {19,S} -8 C u0 p0 c0 {5,D} {22,S} {23,S} -9 C u0 p0 c0 {7,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 R u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {8,S} - -[CH2]C(C)C(399) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u1 p0 c0 {1,S} {12,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} - -CC(C)C(29484) -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} - -C11H17(10750) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {8,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {3,S} {9,S} {11,D} -6 C u1 p0 c0 {2,S} {10,S} {24,S} -7 C u0 p0 c0 {1,S} {9,D} {22,S} -8 C u0 p0 c0 {4,S} {10,D} {23,S} -9 C u0 p0 c0 {5,S} {7,D} {25,S} -10 C u0 p0 c0 {6,S} {8,D} {26,S} -11 C u0 p0 c0 {5,D} {27,S} {28,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {11,S} - -C9H11R(18276) -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {3,S} {8,D} {16,S} -6 C u0 p0 c0 {2,S} {9,D} {17,S} -7 C u0 p0 c0 {4,D} {8,S} {19,S} -8 C u0 p0 c0 {5,D} {7,S} {18,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 R u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C9H13R(24328) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {1,S} {8,D} {16,S} -6 C u0 p0 c0 {2,S} {9,D} {17,S} -7 C u0 p0 c0 {4,D} {18,S} {19,S} -8 C u0 p0 c0 {5,D} {20,S} {21,S} -9 C u0 p0 c0 {6,D} {22,S} {23,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 R u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {9,S} - -C12H16(18381) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {11,D} -6 C u0 p0 c0 {2,S} {4,S} {9,D} -7 C u0 p0 c0 {1,S} {8,D} {22,S} -8 C u0 p0 c0 {3,S} {7,D} {21,S} -9 C u0 p0 c0 {6,D} {10,S} {23,S} -10 C u0 p0 c0 {9,S} {12,D} {24,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 C u0 p0 c0 {10,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C9H12(18323) -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {3,S} {8,D} {16,S} -6 C u0 p0 c0 {2,S} {9,D} {17,S} -7 C u0 p0 c0 {4,D} {8,S} {19,S} -8 C u0 p0 c0 {5,D} {7,S} {18,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C12H16(18379) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {4,S} {10,D} -6 C u0 p0 c0 {3,S} {9,S} {11,D} -7 C u0 p0 c0 {1,S} {9,D} {20,S} -8 C u0 p0 c0 {2,S} {12,D} {21,S} -9 C u0 p0 c0 {6,S} {7,D} {22,S} -10 C u0 p0 c0 {5,D} {25,S} {26,S} -11 C u0 p0 c0 {6,D} {23,S} {24,S} -12 C u0 p0 c0 {8,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(18378) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {9,S} {14,S} -3 C u0 p0 c0 {5,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {3,S} {10,D} -6 C u0 p0 c0 {2,S} {4,S} {11,D} -7 C u0 p0 c0 {1,S} {8,D} {21,S} -8 C u0 p0 c0 {3,S} {7,D} {20,S} -9 C u0 p0 c0 {2,S} {12,D} {22,S} -10 C u0 p0 c0 {5,D} {23,S} {24,S} -11 C u0 p0 c0 {6,D} {25,S} {26,S} -12 C u0 p0 c0 {9,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(18376) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {9,S} {11,D} -6 C u0 p0 c0 {4,S} {10,S} {12,D} -7 C u0 p0 c0 {1,S} {9,D} {21,S} -8 C u0 p0 c0 {3,S} {10,D} {22,S} -9 C u0 p0 c0 {5,S} {7,D} {23,S} -10 C u0 p0 c0 {6,S} {8,D} {24,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 C u0 p0 c0 {6,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(18375) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {9,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {11,D} -6 C u0 p0 c0 {4,S} {10,S} {12,D} -7 C u0 p0 c0 {1,S} {8,D} {22,S} -8 C u0 p0 c0 {3,S} {7,D} {21,S} -9 C u0 p0 c0 {2,S} {10,D} {23,S} -10 C u0 p0 c0 {6,S} {9,D} {24,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 C u0 p0 c0 {6,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C8H10L(18195) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {5,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u0 p0 c0 {3,S} {7,D} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {17,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 C u1 p0 c0 {2,S} {18,S} {19,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 L u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} - -C8H10L(30674) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -3 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {6,S} {14,S} {15,S} -6 C u0 p0 c0 {4,S} {5,S} {8,D} -7 C u1 p0 c0 {1,S} {8,S} {18,S} -8 C u0 p0 c0 {6,D} {7,S} {19,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 L u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} - -C12H16(18380) -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -3 C u0 p0 c0 {5,S} {7,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u0 p0 c0 {2,S} {4,S} {9,D} -7 C u0 p0 c0 {3,S} {10,D} {22,S} -8 C u0 p0 c0 {5,D} {10,S} {24,S} -9 C u0 p0 c0 {6,D} {11,S} {25,S} -10 C u0 p0 c0 {7,D} {8,S} {23,S} -11 C u0 p0 c0 {9,S} {12,D} {26,S} -12 C u0 p0 c0 {11,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(18377) -1 C u0 p0 c0 {2,S} {6,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {3,S} {9,D} -6 C u0 p0 c0 {1,S} {4,S} {11,D} -7 C u0 p0 c0 {1,S} {12,D} {22,S} -8 C u0 p0 c0 {3,S} {10,D} {21,S} -9 C u0 p0 c0 {5,D} {10,S} {24,S} -10 C u0 p0 c0 {8,D} {9,S} {23,S} -11 C u0 p0 c0 {6,D} {25,S} {26,S} -12 C u0 p0 c0 {7,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C12H16(18374) -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -3 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {4,S} {10,S} {12,D} -7 C u0 p0 c0 {2,S} {10,D} {23,S} -8 C u0 p0 c0 {3,S} {11,D} {22,S} -9 C u0 p0 c0 {5,D} {11,S} {25,S} -10 C u0 p0 c0 {6,S} {7,D} {26,S} -11 C u0 p0 c0 {8,D} {9,S} {24,S} -12 C u0 p0 c0 {6,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C6H8(18175) -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {2,S} {6,D} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {3,D} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} - -C9H11R(18275) -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {7,D} -5 C u0 p0 c0 {3,S} {8,D} {16,S} -6 C u0 p0 c0 {2,S} {9,D} {17,S} -7 C u0 p0 c0 {4,D} {8,S} {19,S} -8 C u0 p0 c0 {5,D} {7,S} {18,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 R u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C9H12R2(24302) -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u0 p0 c0 {2,S} {8,D} {17,S} -6 C u0 p0 c0 {4,D} {7,S} {18,S} -7 C u0 p0 c0 {6,S} {9,D} {19,S} -8 C u0 p0 c0 {5,D} {22,S} {23,S} -9 C u0 p0 c0 {7,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 R u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} -22 R u0 p0 c0 {8,S} -23 H u0 p0 c0 {8,S} - -C12H20L(4090) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} -3 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {9,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {8,S} {27,S} {28,S} {29,S} -7 C u0 p0 c0 {9,S} {24,S} {25,S} {26,S} -8 C u1 p0 c0 {2,S} {3,S} {6,S} -9 C u0 p0 c0 {4,S} {7,S} {10,D} -10 C u0 p0 c0 {9,D} {11,S} {30,S} -11 C u0 p0 c0 {10,S} {12,D} {31,S} -12 C u0 p0 c0 {11,D} {32,S} {33,S} -13 L u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {6,S} -28 H u0 p0 c0 {6,S} -29 H u0 p0 c0 {6,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {11,S} -32 H u0 p0 c0 {12,S} -33 H u0 p0 c0 {12,S} - -C10H13R(18283) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {4,S} {9,D} -6 C u0 p0 c0 {3,S} {8,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {6,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {23,S} {24,S} -10 C u0 p0 c0 {6,D} {21,S} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {10,S} -23 R u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C8H10L(30673) -multiplicity 2 -1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -3 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -4 C u0 p0 c0 {3,S} {6,S} {14,S} {15,S} -5 C u0 p0 c0 {6,S} {7,S} {16,S} {17,S} -6 C u0 p0 c0 {4,S} {5,S} {8,D} -7 C u1 p0 c0 {1,S} {5,S} {18,S} -8 C u0 p0 c0 {1,S} {6,D} {19,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 L u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} - -C11H14L(20661) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {7,S} {16,S} {17,S} -4 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u1 p0 c0 {2,S} {10,S} {23,S} -7 C u0 p0 c0 {3,S} {11,D} {21,S} -8 C u0 p0 c0 {4,S} {10,D} {22,S} -9 C u0 p0 c0 {5,D} {11,S} {25,S} -10 C u0 p0 c0 {6,S} {8,D} {26,S} -11 C u0 p0 c0 {7,D} {9,S} {24,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 L u0 p0 c0 {8,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} - -C12H20L(4086) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} -3 C u0 p0 c0 {4,S} {8,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {8,S} {27,S} {28,S} {29,S} -7 C u0 p0 c0 {9,S} {24,S} {25,S} {26,S} -8 C u1 p0 c0 {2,S} {3,S} {6,S} -9 C u0 p0 c0 {7,S} {11,S} {12,D} -10 C u0 p0 c0 {4,S} {11,D} {30,S} -11 C u0 p0 c0 {9,S} {10,D} {31,S} -12 C u0 p0 c0 {9,D} {32,S} {33,S} -13 L u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {6,S} -28 H u0 p0 c0 {6,S} -29 H u0 p0 c0 {6,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {11,S} -32 H u0 p0 c0 {12,S} -33 H u0 p0 c0 {12,S} - -C10H13R(18282) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {20,S} -8 C u0 p0 c0 {3,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 R u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C12H16(18680) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {8,S} {18,S} {19,S} -5 C u0 p0 c0 {7,S} {10,S} {20,S} {21,S} -6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {3,S} {5,S} {11,D} -8 C u0 p0 c0 {4,S} {6,S} {9,D} -9 C u0 p0 c0 {1,S} {8,D} {26,S} -10 C u0 p0 c0 {5,S} {12,D} {25,S} -11 C u0 p0 c0 {7,D} {12,S} {28,S} -12 C u0 p0 c0 {10,D} {11,S} {27,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {11,S} - -C12H15R(24502) -1 C u0 p0 c0 {2,S} {3,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} -4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} -5 C u0 p0 c0 {7,S} {10,S} {20,S} {21,S} -6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {3,S} {5,S} {11,D} -8 C u0 p0 c0 {4,S} {6,S} {9,D} -9 C u0 p0 c0 {1,S} {8,D} {25,S} -10 C u0 p0 c0 {5,S} {12,D} {26,S} -11 C u0 p0 c0 {7,D} {12,S} {28,S} -12 C u0 p0 c0 {10,D} {11,S} {27,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 R u0 p0 c0 {4,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {11,S} - -C13H22R(4084) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {14,S} -2 C u0 p0 c0 {1,S} {9,S} {17,S} {18,S} -3 C u0 p0 c0 {4,S} {9,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {10,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -7 C u0 p0 c0 {9,S} {30,S} {31,S} {32,S} -8 C u0 p0 c0 {10,S} {27,S} {28,S} {29,S} -9 C u1 p0 c0 {2,S} {3,S} {7,S} -10 C u0 p0 c0 {4,S} {8,S} {11,D} -11 C u0 p0 c0 {10,D} {12,S} {33,S} -12 C u0 p0 c0 {11,S} {13,D} {34,S} -13 C u0 p0 c0 {12,D} {35,S} {36,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 R u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {6,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {7,S} -31 H u0 p0 c0 {7,S} -32 H u0 p0 c0 {7,S} -33 H u0 p0 c0 {11,S} -34 H u0 p0 c0 {12,S} -35 H u0 p0 c0 {13,S} -36 H u0 p0 c0 {13,S} - -C13H22R(4080) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {14,S} -2 C u0 p0 c0 {1,S} {9,S} {17,S} {18,S} -3 C u0 p0 c0 {4,S} {9,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {11,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {1,S} {24,S} {25,S} {26,S} -7 C u0 p0 c0 {9,S} {30,S} {31,S} {32,S} -8 C u0 p0 c0 {10,S} {27,S} {28,S} {29,S} -9 C u1 p0 c0 {2,S} {3,S} {7,S} -10 C u0 p0 c0 {8,S} {12,S} {13,D} -11 C u0 p0 c0 {4,S} {12,D} {33,S} -12 C u0 p0 c0 {10,S} {11,D} {34,S} -13 C u0 p0 c0 {10,D} {35,S} {36,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 R u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {6,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {7,S} -31 H u0 p0 c0 {7,S} -32 H u0 p0 c0 {7,S} -33 H u0 p0 c0 {11,S} -34 H u0 p0 c0 {12,S} -35 H u0 p0 c0 {13,S} -36 H u0 p0 c0 {13,S} - -C10H13R(18280) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {4,S} {9,D} -6 C u0 p0 c0 {3,S} {8,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {6,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {23,S} {24,S} -10 C u0 p0 c0 {6,D} {21,S} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 R u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C10H13R(18279) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {20,S} -8 C u0 p0 c0 {3,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 R u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C10H15(18437) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} -6 C u1 p0 c0 {1,S} {4,S} {5,S} -7 C u0 p0 c0 {2,S} {3,S} {9,D} -8 C u0 p0 c0 {3,S} {10,D} {23,S} -9 C u0 p0 c0 {7,D} {10,S} {25,S} -10 C u0 p0 c0 {8,D} {9,S} {24,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} - -C12H15R(24501) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {7,S} {17,S} {18,S} -4 C u0 p0 c0 {2,S} {9,S} {15,S} {16,S} -5 C u0 p0 c0 {7,S} {10,S} {19,S} {20,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {3,S} {5,S} {11,D} -8 C u0 p0 c0 {1,S} {9,D} {25,S} -9 C u0 p0 c0 {4,S} {8,D} {24,S} -10 C u0 p0 c0 {5,S} {12,D} {26,S} -11 C u0 p0 c0 {7,D} {12,S} {28,S} -12 C u0 p0 c0 {10,D} {11,S} {27,S} -13 H u0 p0 c0 {2,S} -14 R u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {11,S} - -C11H13(18468) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {4,S} {9,D} -6 C u1 p0 c0 {1,S} {10,S} {21,S} -7 C u0 p0 c0 {3,S} {10,D} {20,S} -8 C u0 p0 c0 {4,S} {11,D} {19,S} -9 C u0 p0 c0 {5,D} {11,S} {23,S} -10 C u0 p0 c0 {6,S} {7,D} {24,S} -11 C u0 p0 c0 {8,D} {9,S} {22,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} - -C12H16(18679) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {9,S} {17,S} {18,S} -5 C u0 p0 c0 {7,S} {10,S} {19,S} {20,S} -6 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -7 C u0 p0 c0 {3,S} {5,S} {11,D} -8 C u0 p0 c0 {1,S} {9,D} {26,S} -9 C u0 p0 c0 {4,S} {8,D} {25,S} -10 C u0 p0 c0 {5,S} {12,D} {24,S} -11 C u0 p0 c0 {7,D} {12,S} {28,S} -12 C u0 p0 c0 {10,D} {11,S} {27,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {11,S} - -C12H15(18389) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {9,S} {18,S} {19,S} -5 C u0 p0 c0 {7,S} {20,S} {21,S} {22,S} -6 C u0 p0 c0 {2,S} {4,S} {11,D} -7 C u0 p0 c0 {3,S} {5,S} {10,D} -8 C u1 p0 c0 {1,S} {10,S} {24,S} -9 C u0 p0 c0 {4,S} {12,D} {23,S} -10 C u0 p0 c0 {7,D} {8,S} {27,S} -11 C u0 p0 c0 {6,D} {12,S} {26,S} -12 C u0 p0 c0 {9,D} {11,S} {25,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {12,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {10,S} - -C11H16(11281) -1 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u0 p0 c0 {2,S} {7,D} {19,S} -6 C u0 p0 c0 {4,D} {9,S} {22,S} -7 C u0 p0 c0 {5,D} {8,S} {21,S} -8 C u0 p0 c0 {7,S} {10,D} {20,S} -9 C u0 p0 c0 {6,S} {11,D} {23,S} -10 C u0 p0 c0 {8,D} {24,S} {25,S} -11 C u0 p0 c0 {9,D} {26,S} {27,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {11,S} - -C12H16(18726) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {2,S} {9,S} {11,D} -6 C u0 p0 c0 {4,S} {8,D} {10,S} -7 C u0 p0 c0 {1,S} {9,D} {21,S} -8 C u0 p0 c0 {3,S} {6,D} {22,S} -9 C u0 p0 c0 {5,S} {7,D} {23,S} -10 C u0 p0 c0 {6,S} {12,D} {24,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 C u0 p0 c0 {10,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C10H14R(18285) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {6,S} {20,S} {21,S} {22,S} -6 C u1 p0 c0 {1,S} {4,S} {5,S} -7 C u0 p0 c0 {2,S} {3,S} {9,D} -8 C u0 p0 c0 {3,S} {10,D} {23,S} -9 C u0 p0 c0 {7,D} {10,S} {25,S} -10 C u0 p0 c0 {8,D} {9,S} {24,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 R u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} - -C9H11L(18431) -1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {2,S} {7,S} {8,D} -5 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {3,S} {9,D} {16,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {6,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 L u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C12H15(22038) -multiplicity 2 -1 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -3 C u0 p0 c0 {4,S} {6,S} {17,S} {18,S} -4 C u0 p0 c0 {3,S} {8,S} {19,S} {20,S} -5 C u0 p0 c0 {7,S} {9,S} {21,S} {22,S} -6 C u0 p0 c0 {1,S} {3,S} {10,D} -7 C u0 p0 c0 {2,S} {5,S} {11,D} -8 C u1 p0 c0 {4,S} {10,S} {24,S} -9 C u0 p0 c0 {5,S} {12,D} {23,S} -10 C u0 p0 c0 {6,D} {8,S} {25,S} -11 C u0 p0 c0 {7,D} {12,S} {27,S} -12 C u0 p0 c0 {9,D} {11,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} - -C11H15(18464) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {8,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {9,S} {11,D} -6 C u0 p0 c0 {1,S} {9,D} {20,S} -7 C u1 p0 c0 {3,S} {10,S} {22,S} -8 C u0 p0 c0 {4,S} {10,D} {21,S} -9 C u0 p0 c0 {5,S} {6,D} {23,S} -10 C u0 p0 c0 {7,S} {8,D} {24,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C9H11L(18430) -1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {6,D} {16,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 C u0 p0 c0 {2,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {18,S} {19,S} -9 C u0 p0 c0 {7,D} {20,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 L u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {9,S} - -C10H14R(33566) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -8 C u0 p0 c0 {4,S} {5,S} {10,D} -9 C u1 p0 c0 {2,S} {10,S} {24,S} -10 C u0 p0 c0 {8,D} {9,S} {25,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} - -C12H15(18406) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {9,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {10,S} {18,S} {19,S} -5 C u0 p0 c0 {7,S} {20,S} {21,S} {22,S} -6 C u0 p0 c0 {2,S} {4,S} {11,D} -7 C u0 p0 c0 {5,S} {8,S} {9,D} -8 C u1 p0 c0 {1,S} {7,S} {25,S} -9 C u0 p0 c0 {3,S} {7,D} {24,S} -10 C u0 p0 c0 {4,S} {12,D} {23,S} -11 C u0 p0 c0 {6,D} {12,S} {27,S} -12 C u0 p0 c0 {10,D} {11,S} {26,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {11,S} - -C9H13(18194) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {3,S} {7,S} {9,D} -6 C u0 p0 c0 {1,S} {7,D} {17,S} -7 C u0 p0 c0 {5,S} {6,D} {18,S} -8 C u1 p0 c0 {2,S} {19,S} {20,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C10H15(32871) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {8,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -8 C u1 p0 c0 {4,S} {5,S} {10,S} -9 C u0 p0 c0 {2,S} {10,D} {24,S} -10 C u0 p0 c0 {8,S} {9,D} {25,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} - -C10H14(18435) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {4,S} {9,D} -6 C u0 p0 c0 {3,S} {8,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {6,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {23,S} {24,S} -10 C u0 p0 c0 {6,D} {21,S} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} - -C12H16(18725) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {8,S} {14,S} {15,S} -3 C u0 p0 c0 {5,S} {9,S} {16,S} {17,S} -4 C u0 p0 c0 {6,S} {18,S} {19,S} {20,S} -5 C u0 p0 c0 {1,S} {3,S} {11,D} -6 C u0 p0 c0 {4,S} {8,D} {10,S} -7 C u0 p0 c0 {1,S} {9,D} {22,S} -8 C u0 p0 c0 {2,S} {6,D} {23,S} -9 C u0 p0 c0 {3,S} {7,D} {21,S} -10 C u0 p0 c0 {6,S} {12,D} {24,S} -11 C u0 p0 c0 {5,D} {25,S} {26,S} -12 C u0 p0 c0 {10,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C11H16(11277) -1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {4,S} {16,S} {17,S} {18,S} -4 C u0 p0 c0 {3,S} {7,S} {10,D} -5 C u0 p0 c0 {1,S} {8,D} {19,S} -6 C u0 p0 c0 {2,S} {7,D} {20,S} -7 C u0 p0 c0 {4,S} {6,D} {23,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {8,S} {11,D} {21,S} -10 C u0 p0 c0 {4,D} {26,S} {27,S} -11 C u0 p0 c0 {9,D} {24,S} {25,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} - -C11H16(11279) -1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {1,S} {3,S} {9,D} -5 C u0 p0 c0 {2,S} {7,D} {18,S} -6 C u0 p0 c0 {1,S} {10,D} {19,S} -7 C u0 p0 c0 {5,D} {8,S} {21,S} -8 C u0 p0 c0 {7,S} {11,D} {20,S} -9 C u0 p0 c0 {4,D} {24,S} {25,S} -10 C u0 p0 c0 {6,D} {26,S} {27,S} -11 C u0 p0 c0 {8,D} {22,S} {23,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {11,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} - -C9H12R(18225) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u1 p0 c0 {2,S} {4,S} {19,S} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 R u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} - -C9H12R(34500) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {9,S} {21,S} -9 C u0 p0 c0 {7,D} {8,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C10H14(18434) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {20,S} -8 C u0 p0 c0 {3,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C10H14L(20637) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {1,S} {8,D} {18,S} -5 C u1 p0 c0 {2,S} {7,S} {20,S} -6 C u0 p0 c0 {3,S} {7,D} {19,S} -7 C u0 p0 c0 {5,S} {6,D} {23,S} -8 C u0 p0 c0 {4,D} {9,S} {22,S} -9 C u0 p0 c0 {8,S} {10,D} {21,S} -10 C u0 p0 c0 {9,D} {24,S} {25,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 L u0 p0 c0 {6,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {10,S} - -C10H13R(18278) -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 R u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C11H14(18772) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {12,S} -2 C u0 p0 c0 {1,S} {4,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {6,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} -5 C u0 p0 c0 {6,S} {9,S} {19,S} {20,S} -6 C u0 p0 c0 {3,S} {5,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {23,S} -8 C u0 p0 c0 {4,S} {7,D} {22,S} -9 C u0 p0 c0 {5,S} {11,D} {21,S} -10 C u0 p0 c0 {6,D} {11,S} {25,S} -11 C u0 p0 c0 {9,D} {10,S} {24,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {10,S} - -C11H15(18454) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {3,S} {8,D} -6 C u0 p0 c0 {1,S} {10,D} {21,S} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {23,S} -9 C u0 p0 c0 {7,D} {8,S} {22,S} -10 C u0 p0 c0 {6,D} {11,S} {24,S} -11 C u1 p0 c0 {10,S} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C6H9R(1802) -1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {2,S} {4,D} -4 C u0 p0 c0 {3,D} {5,S} {13,S} -5 C u0 p0 c0 {4,S} {6,D} {14,S} -6 C u0 p0 c0 {5,D} {15,S} {16,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 R u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C11H15(35245) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {9,S} {14,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {13,S} -4 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -5 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} -6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} -7 C u1 p0 c0 {4,S} {5,S} {10,S} -8 C u0 p0 c0 {3,S} {10,D} {22,S} -9 C u0 p0 c0 {2,S} {11,D} {23,S} -10 C u0 p0 c0 {7,S} {8,D} {24,S} -11 C u0 p0 c0 {9,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C5H8LR(1393) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {5,D} {13,S} -5 C u0 p0 c0 {4,D} {14,S} {15,S} -6 L u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 R u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} - -C11H15(35243) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {6,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {9,S} {13,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {14,S} -4 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -5 C u0 p0 c0 {7,S} {10,S} {17,S} {18,S} -6 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} -7 C u1 p0 c0 {3,S} {4,S} {5,S} -8 C u0 p0 c0 {3,S} {10,D} {23,S} -9 C u0 p0 c0 {2,S} {11,D} {24,S} -10 C u0 p0 c0 {5,S} {8,D} {22,S} -11 C u0 p0 c0 {9,D} {25,S} {26,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {10,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {11,S} - -C12H18L(18253) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {10,S} {13,S} -2 C u0 p0 c0 {5,S} {6,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {8,S} {20,S} {21,S} -4 C u0 p0 c0 {1,S} {9,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {8,S} {18,S} {19,S} -6 C u0 p0 c0 {2,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {8,S} {25,S} {26,S} {27,S} -8 C u1 p0 c0 {3,S} {5,S} {7,S} -9 C u0 p0 c0 {4,S} {11,S} {12,D} -10 C u0 p0 c0 {1,S} {11,D} {28,S} -11 C u0 p0 c0 {9,S} {10,D} {29,S} -12 C u0 p0 c0 {9,D} {30,S} {31,S} -13 H u0 p0 c0 {1,S} -14 L u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {3,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 H u0 p0 c0 {10,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {12,S} -31 H u0 p0 c0 {12,S} - -C10H17LR(3394) -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {3,S} {8,S} {12,S} {13,S} -3 C u0 p0 c0 {2,S} {9,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {19,S} {20,S} {21,S} -6 C u0 p0 c0 {8,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -8 C u0 p0 c0 {2,S} {6,S} {10,D} -9 C u1 p0 c0 {3,S} {7,S} {28,S} -10 C u0 p0 c0 {1,S} {8,D} {29,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 R u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 L u0 p0 c0 {9,S} -29 H u0 p0 c0 {10,S} - -C4H6L(1895) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u1 p0 c0 {1,S} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,D} {9,S} -4 C u0 p0 c0 {3,D} {10,S} {11,S} -5 L u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} - -C7H11L2(36342) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} -3 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} -4 C u0 p0 c0 {7,S} {12,S} {13,S} {14,S} -5 C u1 p0 c0 {1,S} {3,S} {18,S} -6 C u0 p0 c0 {2,S} {7,D} {20,S} -7 C u0 p0 c0 {4,S} {6,D} {19,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 L u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 L u0 p0 c0 {5,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {6,S} - -C4H7L(36302) -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {4,D} {11,S} -4 C u0 p0 c0 {2,S} {3,D} {12,S} -5 L u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} - -C13H20R(18248) -multiplicity 2 -1 C u0 p0 c0 {3,S} {6,S} {7,S} {14,S} -2 C u0 p0 c0 {4,S} {5,S} {11,S} {15,S} -3 C u0 p0 c0 {1,S} {9,S} {18,S} {19,S} -4 C u0 p0 c0 {2,S} {9,S} {20,S} {21,S} -5 C u0 p0 c0 {2,S} {10,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {1,S} {25,S} {26,S} {27,S} -8 C u0 p0 c0 {9,S} {28,S} {29,S} {30,S} -9 C u1 p0 c0 {3,S} {4,S} {8,S} -10 C u0 p0 c0 {5,S} {12,S} {13,D} -11 C u0 p0 c0 {2,S} {12,D} {31,S} -12 C u0 p0 c0 {10,S} {11,D} {32,S} -13 C u0 p0 c0 {10,D} {33,S} {34,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 R u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {7,S} -28 H u0 p0 c0 {8,S} -29 H u0 p0 c0 {8,S} -30 H u0 p0 c0 {8,S} -31 H u0 p0 c0 {11,S} -32 H u0 p0 c0 {12,S} -33 H u0 p0 c0 {13,S} -34 H u0 p0 c0 {13,S} - -C10H13R(18281) -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 R u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C6H7R(24238) -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 R u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} - -C9H12R(18224) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {5,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {3,S} {7,D} -6 C u0 p0 c0 {3,S} {8,D} {18,S} -7 C u0 p0 c0 {5,D} {8,S} {20,S} -8 C u0 p0 c0 {6,D} {7,S} {19,S} -9 C u1 p0 c0 {1,S} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 R u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C9H12R(38723) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -5 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {9,S} {21,S} -9 C u0 p0 c0 {7,D} {8,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C10H15(32869) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -4 C u0 p0 c0 {3,S} {8,S} {14,S} {15,S} -5 C u0 p0 c0 {8,S} {10,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {1,S} {21,S} {22,S} {23,S} -8 C u1 p0 c0 {2,S} {4,S} {5,S} -9 C u0 p0 c0 {2,S} {10,D} {25,S} -10 C u0 p0 c0 {5,S} {9,D} {24,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} - -C9H13(18191) -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {5,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {3,S} {7,D} -6 C u0 p0 c0 {3,S} {8,D} {18,S} -7 C u0 p0 c0 {5,D} {8,S} {20,S} -8 C u0 p0 c0 {6,D} {7,S} {19,S} -9 C u1 p0 c0 {1,S} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C9H13(20452) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {7,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u1 p0 c0 {4,S} {5,S} {9,S} -8 C u0 p0 c0 {2,S} {9,D} {21,S} -9 C u0 p0 c0 {7,S} {8,D} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C9H13(38809) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {8,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {5,S} {21,S} -9 C u0 p0 c0 {2,S} {7,D} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C9H12R(38722) -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {10,S} -2 C u0 p0 c0 {3,S} {8,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -5 C u0 p0 c0 {7,S} {8,S} {16,S} {17,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {5,S} {21,S} -9 C u0 p0 c0 {2,S} {7,D} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 R u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C12H16(18717) -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {9,S} {18,S} {19,S} -5 C u0 p0 c0 {8,S} {10,S} {20,S} {21,S} -6 C u0 p0 c0 {7,S} {22,S} {23,S} {24,S} -7 C u0 p0 c0 {1,S} {6,S} {9,D} -8 C u0 p0 c0 {3,S} {5,S} {11,D} -9 C u0 p0 c0 {4,S} {7,D} {26,S} -10 C u0 p0 c0 {5,S} {12,D} {25,S} -11 C u0 p0 c0 {8,D} {12,S} {28,S} -12 C u0 p0 c0 {10,D} {11,S} {27,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {9,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {11,S} - -C10H14(18433) -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -3 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} -4 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C9H12R(18184) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 C u0 p0 c0 {2,S} {8,S} {9,D} -6 C u1 p0 c0 {3,S} {4,S} {18,S} -7 C u0 p0 c0 {1,S} {8,D} {19,S} -8 C u0 p0 c0 {5,S} {7,D} {20,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 R u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} - -C9H13(26444) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {10,S} -3 C u0 p0 c0 {1,S} {4,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} -5 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} -6 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -7 C u0 p0 c0 {1,S} {9,D} {21,S} -8 C u1 p0 c0 {5,S} {9,S} {20,S} -9 C u0 p0 c0 {7,D} {8,S} {22,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {9,S} - -C9H12R(18180) -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {8,D} -6 C u1 p0 c0 {2,S} {4,S} {19,S} -7 C u0 p0 c0 {3,S} {9,D} {20,S} -8 C u0 p0 c0 {5,D} {9,S} {22,S} -9 C u0 p0 c0 {7,D} {8,S} {21,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 R u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {8,S} - -C9H12R(39454) -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} -5 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -6 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} -7 C u0 p0 c0 {4,S} {5,S} {9,D} -8 C u1 p0 c0 {2,S} {9,S} {21,S} -9 C u0 p0 c0 {7,D} {8,S} {22,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 R u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} - -C10H13R(18540) -1 C u0 p0 c0 {2,S} {5,S} {7,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {5,S} {8,S} {14,S} {15,S} -4 C u0 p0 c0 {6,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {2,S} {4,S} {10,D} -7 C u0 p0 c0 {1,S} {8,D} {20,S} -8 C u0 p0 c0 {3,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {21,S} {22,S} -10 C u0 p0 c0 {6,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 R u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - -C12H16(18724) -1 C u0 p0 c0 {2,S} {5,S} {13,S} {14,S} -2 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} -3 C u0 p0 c0 {5,S} {8,S} {17,S} {18,S} -4 C u0 p0 c0 {6,S} {19,S} {20,S} {21,S} -5 C u0 p0 c0 {1,S} {3,S} {9,D} -6 C u0 p0 c0 {4,S} {7,D} {11,S} -7 C u0 p0 c0 {2,S} {6,D} {23,S} -8 C u0 p0 c0 {3,S} {10,D} {22,S} -9 C u0 p0 c0 {5,D} {10,S} {25,S} -10 C u0 p0 c0 {8,D} {9,S} {24,S} -11 C u0 p0 c0 {6,S} {12,D} {26,S} -12 C u0 p0 c0 {11,D} {27,S} {28,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {7,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {12,S} - -C10H13L(22766) -1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {8,S} {16,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {9,S} {10,D} -6 C u0 p0 c0 {1,S} {9,D} {19,S} -7 C u0 p0 c0 {3,S} {8,D} {20,S} -8 C u0 p0 c0 {4,S} {7,D} {21,S} -9 C u0 p0 c0 {5,S} {6,D} {22,S} -10 C u0 p0 c0 {5,D} {23,S} {24,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 L u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {10,S} - diff --git a/ipython/fragment_reattachment_example.ipynb b/ipython/fragment_reattachment_example.ipynb index 9c45b4cc7ad..56540801577 100644 --- a/ipython/fragment_reattachment_example.ipynb +++ b/ipython/fragment_reattachment_example.ipynb @@ -42,7 +42,7 @@ "import re\n", "import os\n", "import numpy as np\n", - "import matplotlib.pyplot as plt" + "import matplotlib.pyplot as plt\n" ] }, { @@ -56,7 +56,7 @@ }, { "cell_type": "code", - "execution_count": 7, + "execution_count": 2, "id": "9802cd48-4a7b-4244-acf8-cba0fc1aab69", "metadata": {}, "outputs": [], @@ -328,8 +328,8 @@ " seed = np.random.randint(0, 100)\n", " grmoles = FragList.grind(self.Rlist, self.grindsize)\n", " glmoles = FragList.grind(self.Llist, self.grindsize)\n", - " self.glmoles = FragList.shuffle(glmoles, seed)\n", - " self.grmoles = FragList.shuffle(grmoles, seed+1)\n", + " self.glmoles = shuffle(glmoles, seed)\n", + " self.grmoles = shuffle(grmoles, seed+1)\n", " else:\n", " print('repeats > 1 not supported')\n", "\n", @@ -339,7 +339,7 @@ " 2L and 2R fragments will be paired with 2 1-cuttinglabel fragments\n", " the remaining fragment subconcentrations are middle pieces\n", " '''\n", - " matches = FragList.match_concentrations_with_same_sums(self.glmoles,\n", + " matches = match_concentrations_with_same_sums(self.glmoles,\n", " self.grmoles,\n", " rtol=1e-3)\n", " self.endcaps = []\n", @@ -376,7 +376,7 @@ " grinded_r_l_moles = FragList.grind(self.RLlist, self.grindsize)\n", " seed = np.random.randint(0, 100)\n", " self.middles = self.middles + \\\n", - " FragList.shuffle(grinded_r_l_moles, seed)\n", + " shuffle(grinded_r_l_moles, seed)\n", " else:\n", " print('repeats > 1 not supported')\n", "\n", @@ -410,14 +410,14 @@ " r_l_matched = []\n", " for r_l_frag, amt in r_l_frag_distri_dict[i].items():\n", " r_l_matched.append((r_l_frag, amt))\n", - " match_list = FragList.match_concentrations_with_different_sums([\n", + " match_list = match_concentrations_with_different_sums([\n", " pair], r_l_matched)\n", " for tups in match_list:\n", " matches_random.append(tups)\n", " else: \n", " matches_random.append(pair)\n", " flattened_matches_random = [\n", - " (tuple(FragList.flatten(m[0])), m[1]) for m in matches_random]\n", + " (tuple(flatten(m[0])), m[1]) for m in matches_random]\n", "\n", " self.grouped = []\n", "\n", @@ -478,8 +478,8 @@ "outputs": [], "source": [ "working_dir = os.getcwd()\n", - "chemkin_path = os.path.join(working_dir, 'data/chem_annotated.inp')\n", - "species_dict_path = os.path.join(working_dir, 'data/species_dictionary.txt')\n", + "chemkin_path = os.path.join(working_dir, 'data/fragment_model/chem_annotated.inp')\n", + "species_dict_path = os.path.join(working_dir, 'data/fragment_model/species_dictionary.txt')\n", "results_path = os.path.join(working_dir, 'results')\n", "if not os.path.exists(results_path):\n", " os.mkdir(results_path)\n", @@ -514,7 +514,7 @@ " LC10: 1}]\n", "Tlist = ([725.0], 'K')\n", "Plist = ([1.0], 'bar')\n", - "# Vlist = ([1], 'm3')\n", + "# Vlist = ([1], 'm^3')\n", "reactionTimeList = ([1], 'h')" ] }, @@ -531,13 +531,35 @@ "execution_count": 5, "id": "6d69f465-2eff-4549-b9af-9531d77de360", "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "WARNING:root:Initial mole fractions do not sum to one; normalizing.\n" + ] + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "(725.0, 'K')\n", + "(1.0, 'bar')\n", + "Reactor Type: IdealGasConstPressureTemperatureReactor\n", + "Reaction Time: 1 h\n", + "T0: 725 K\n", + "P0: 1 bar\n", + "Initial Mole Fractions: {'CC(C)CC(C)CC(C)CR': 0.006172839506172839, 'CC(L)CC(C)CC(C)CR': 0.9876543209876543, 'CC(C)CC(C)CC(C)CL': 0.006172839506172839}\n" + ] + } + ], "source": [ + "from rmgpy.tools.canteramodel import generate_cantera_conditions\n", "job = Cantera(species_list=species_list,\n", " reaction_list=reaction_list, output_directory='temp_detailed')\n", "job.load_model()\n", "job.generate_conditions(reactorTypeList, reactionTimeList,\n", - " molFracList, Tlist, Plist)\n", + " molFracList, Tlist=Tlist, Plist=Plist)\n", "all_data = job.simulate()" ] }, @@ -642,7 +664,7 @@ }, { "data": { - "image/png": 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", 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", 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" ] @@ -659,8 +681,7 @@ " fl = FragList(frag_list)\n", " fl.reattach(grindsize=0.001)\n", " fl.get_mwd(bins=range(0, 501, 15))\n", - " hdl.append(fl.histdata) # save histogram data for repeatability analysis\n", - "\n" + " hdl.append(fl.histdata) # save histogram data for repeatability analysis" ] }, { @@ -676,13 +697,13 @@ }, { "cell_type": "code", - "execution_count": 9, + "execution_count": 11, "id": "83a0e056-66dd-4e79-b4b0-f6b74c518a58", "metadata": {}, "outputs": [ { "data": { - "image/png": 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wHQsAgFDp6Od3QKdpmpubVVFRoaysLL/2rKwsHThwoM0xO3fuVHp6un7729/qiiuu0IgRI/TII4/o888/b/c4TU1N8nq9fhsAAOieAjpN09DQoJaWFsXHx/u1x8fHq66urs0xx44d0xtvvKHY2Fi9/PLLamho0OzZs/XJJ5+0e91IYWGhli1bFkhpAAAgQgV1AavD4fDbN8a0arvg/Pnzcjgc2rx5s2666SbdcccdWrFihTZu3Nju6khBQYE8Ho9vq62tDaZMAAAQAQJaGRk0aJCioqJarYLU19e3Wi25IDExUVdccYVcLpevbeTIkTLG6KOPPtK1117baozT6ZTT6QykNAAAEKECWhmJiYlRWlqaSktL/dpLS0uVmZnZ5phx48bp1KlTOnPmjK/tX//6l3r16qWhQ4cGUTIAAOhOAj5Nk5+fr7Vr12r9+vU6cuSIFi5cqJqaGuXl5Un66hRLbm6ur/+MGTM0cOBA3XfffTp8+LDKysr06KOP6v7771efPn1C90oAAEBECvh7RqZPn67Tp09r+fLlcrvdSk1NVUlJiYYPHy5Jcrvdqqmp8fW/7LLLVFpaqoceekjp6ekaOHCgpk2bpieeeCJ0rwIAAESsgL9nxAa+ZyR8xwIAIFQ65XtGAAAAQo0wAgAArCKMAAAAqwgjAADAKsIIAACwijACAACsIowAAACrCCMAAMAqwggAALCKMAIAAKwijAAAAKsIIwAAwCrCCAAAsIowAgAArCKMAAAAqwgjAADAKsIIAACwijACAACsIowAAACrCCMAAMAqwggAALCKMAIAAKwijAAAAKsIIwAAwCrCCAAAsIowAgAArCKMAAAAqwgjAADAKsIIAACwijACAACsIowAAACrCCMAAMAqwggAALCKMAIAAKwijAAAAKuCCiNFRUVKSUlRbGys0tLStG/fvg6N279/v6Kjo3XjjTcGc1gAANANBRxGiouLtWDBAi1evFiVlZUaP368cnJyVFNTc9FxHo9Hubm5mjhxYtDFAgCA7ifgMLJixQrNmjVLDzzwgEaOHKmVK1cqOTlZq1evvui4Bx98UDNmzFBGRkbQxQIAgO4noDDS3NysiooKZWVl+bVnZWXpwIED7Y7bsGGDPvzwQy1ZsiS4KgEAQLcVHUjnhoYGtbS0KD4+3q89Pj5edXV1bY45evSoFi1apH379ik6umOHa2pqUlNTk2/f6/UGUiYAAIggQV3A6nA4/PaNMa3aJKmlpUUzZszQsmXLNGLEiA4/f2FhoVwul29LTk4OpkwAABABAgojgwYNUlRUVKtVkPr6+larJZLU2Nio8vJyzZ07V9HR0YqOjtby5cv1zjvvKDo6Wnv27GnzOAUFBfJ4PL6ttrY2kDIBAEAECeg0TUxMjNLS0lRaWqof//jHvvbS0lL96Ec/atU/Li5O1dXVfm1FRUXas2ePXnrpJaWkpLR5HKfTKafTGUhpAAAgQgUURiQpPz9f99xzj9LT05WRkaHnn39eNTU1ysvLk/TVqsbJkye1adMm9erVS6mpqX7jhwwZotjY2FbtAACgZwo4jEyfPl2nT5/W8uXL5Xa7lZqaqpKSEg0fPlyS5Ha7L/mdIwAAABc4jDHGdhGX4vV65XK55PF4FBcXZ7scSdKuXeE7VnZ2+I4FAECodPTzm9+mAQAAVhFGAACAVYQRAABgFWEEAABYRRgBAABWEUYAAIBVhBEAAGAVYQQAAFhFGAEAAFYRRgAAgFWEEQAAYBVhBAAAWEUYAQAAVhFGAACAVYQRAABgFWEEAABYRRgBAABWEUYAAIBVhBEAAGBVtO0C0PUcPBj4mDFjQl8HAKBnIIx0Y6dO2a4AAIBLI4x0Y3V1wY37z39CWwcAABfDNSMAAMAqVka6MVY4AACRgJURAABgFWEEAABYRRgBAABWEUYAAIBVhBEAAGAVYQQAAFhFGAEAAFYRRgAAgFWEEQAAYBVhBAAAWEUYAQAAVhFGAACAVUGFkaKiIqWkpCg2NlZpaWnat29fu323b9+uSZMmafDgwYqLi1NGRoZ27doVdMEAAKB7CfhXe4uLi7VgwQIVFRVp3LhxWrNmjXJycnT48GENGzasVf+ysjJNmjRJv/71r9W/f39t2LBBU6ZM0T/+8Q+NHj06JC8CkevUqeDGJSWFtg4AgD0OY4wJZMDYsWM1ZswYrV692tc2cuRITZ06VYWFhR16juuuu07Tp0/X448/3qH+Xq9XLpdLHo9HcXFxgZTbacK5uJOdHdy4SKiRMAIA3VdHP78DOk3T3NysiooKZWVl+bVnZWXpwIEDHXqO8+fPq7GxUQMGDGi3T1NTk7xer98GAAC6p4BO0zQ0NKilpUXx8fF+7fHx8aqrq+vQczz11FM6e/aspk2b1m6fwsJCLVu2LJDSEKGqq4Mbx8oIAHQfQV3A6nA4/PaNMa3a2rJlyxYtXbpUxcXFGjJkSLv9CgoK5PF4fFttbW0wZQIAgAgQ0MrIoEGDFBUV1WoVpL6+vtVqydcVFxdr1qxZevHFF3X77bdftK/T6ZTT6QykNAAAEKECWhmJiYlRWlqaSktL/dpLS0uVmZnZ7rgtW7bo3nvv1QsvvKDJkycHVykAAOiWAr61Nz8/X/fcc4/S09OVkZGh559/XjU1NcrLy5P01SmWkydPatOmTZK+CiK5ubl6+umndfPNN/tWVfr06SOXyxXClwIAACJRwGFk+vTpOn36tJYvXy63263U1FSVlJRo+PDhkiS3262amhpf/zVr1ujcuXOaM2eO5syZ42ufOXOmNm7c+M1fAQAAiGgBhxFJmj17tmbPnt3mY18PGK+//nowhwAAAD0Ev00DAACsIowAAACrCCMAAMAqwggAALAqqAtYAQDfzMGDwY0bMya0dQBdAWEEACz4z39sVwB0HZymAQAAVhFGAACAVYQRAABgFdeMAN3AqVPBjUtKCm0dABAMwgjQDfzv708GjDACoCsgjCAiBbMSwAcvuoNwroJx+zHChTCCiFRdHfiY7hxGuE205wjmvS8F9/7nfYVw4QJWAABgFSsjAALC0j2AUGNlBAAAWEUYAQAAVnGaBkBAuKgRQKgRRoAeLNjbRAEglAgjQA8W7G2iABBKhBHgEviqdQDoXIQRoAvhtAm6g+58+3c4/z/ak/6gIYwAlxDs774Ecwpk8ODgjgUgPMJ5apMwAsAnnHePcKcKgG8qEn+7izACAP+L64NCg1BtVyT+dhdhBEBYRMJ1BOH8EToA/4cwgpAI9oMGPQd/LQNoD2EkAkTCHRZ80AAAgkUYiQDB3s0BAGhbJPyR15MQRiIAqw4AeoJw3gXCH3ldC2EEANAlROJdIAgNwggA9ACclvDHinPXQhgB0O3s2mW7gq6H0xLoyggjAPANRcKqAysB6MoII+gx+C4UoPuJhCCISwsqjBQVFel3v/ud3G63rrvuOq1cuVLjx49vt//evXuVn5+vQ4cOKSkpSb/85S+Vl5cXdNFAMPjLMDJFQogM54+nwV93nvtIeO+HSsBhpLi4WAsWLFBRUZHGjRunNWvWKCcnR4cPH9awYcNa9T9+/LjuuOMO/fznP9ef//xn7d+/X7Nnz9bgwYN11113heRFAOi+CJHoqXrSe99hjDGBDBg7dqzGjBmj1atX+9pGjhypqVOnqrCwsFX/X/3qV9q5c6eOHDnia8vLy9M777yjN998s0PH9Hq9crlc8ng8iouLC6TcTsMFcgCA7iI7u3Oet6Of3wGtjDQ3N6uiokKLFi3ya8/KytKBAwfaHPPmm28qKyvLry07O1vr1q3Tl19+qd69e7ca09TUpKamJt++x+OR9NWL6irOnrVdAQAAodFZH68XPrcvte4RUBhpaGhQS0uL4uPj/drj4+NV1859Y3V1dW32P3funBoaGpSYmNhqTGFhoZYtW9aqPTk5OZByAQBAF9DY2CiXy9Xu40FdwOpwOPz2jTGt2i7Vv632CwoKCpSfn+/bP3/+vD755BMNHDjwoscJlNfrVXJysmpra7vM6Z/uirkOL+Y7fJjr8GGuwydUc22MUWNjo5Iu8VW5AYWRQYMGKSoqqtUqSH19favVjwsSEhLa7B8dHa2BAwe2OcbpdMrpdPq19e/fP5BSAxIXF8cbO0yY6/BivsOHuQ4f5jp8QjHXF1sRuaBXIE8YExOjtLQ0lZaW+rWXlpYqMzOzzTEZGRmt+u/evVvp6eltXi8CAAB6loDCiCTl5+dr7dq1Wr9+vY4cOaKFCxeqpqbG970hBQUFys3N9fXPy8vTiRMnlJ+fryNHjmj9+vVat26dHnnkkdC9CgAAELECvmZk+vTpOn36tJYvXy63263U1FSVlJRo+PDhkiS3262amhpf/5SUFJWUlGjhwoV69tlnlZSUpGeeeaZLfMeI0+nUkiVLWp0SQugx1+HFfIcPcx0+zHX4hHuuA/6eEQAAgFAK+DQNAABAKBFGAACAVYQRAABgFWEEAABY1aPDSFFRkVJSUhQbG6u0tDTt27fPdkkRp6ysTFOmTFFSUpIcDod27Njh97gxRkuXLlVSUpL69OmjH/zgBzp06JBfn6amJj300EMaNGiQ+vbtqx/+8If66KOPwvgqur7CwkJ973vfU79+/TRkyBBNnTpV77//vl8f5jo0Vq9erRtuuMH3ZU8ZGRn629/+5nucee48hYWFcjgcWrBgga+N+Q6dpUuXyuFw+G0JCQm+x63Otemhtm7danr37m3++Mc/msOHD5v58+ebvn37mhMnTtguLaKUlJSYxYsXm23bthlJ5uWXX/Z7/MknnzT9+vUz27ZtM9XV1Wb69OkmMTHReL1eX5+8vDxzxRVXmNLSUnPw4EEzYcIEM2rUKHPu3Lkwv5quKzs722zYsMG89957pqqqykyePNkMGzbMnDlzxteHuQ6NnTt3mr/+9a/m/fffN++//7557LHHTO/evc17771njGGeO8s///lPc+WVV5obbrjBzJ8/39fOfIfOkiVLzHXXXWfcbrdvq6+v9z1uc657bBi56aabTF5enl/bd77zHbNo0SJLFUW+r4eR8+fPm4SEBPPkk0/62r744gvjcrnMc889Z4wx5tNPPzW9e/c2W7du9fU5efKk6dWrl3n11VfDVnukqa+vN5LM3r17jTHMdWe7/PLLzdq1a5nnTtLY2GiuvfZaU1paam699VZfGGG+Q2vJkiVm1KhRbT5me6575Gma5uZmVVRUKCsry689KytLBw4csFRV93P8+HHV1dX5zbPT6dStt97qm+eKigp9+eWXfn2SkpKUmprKv8VFeDweSdKAAQMkMdedpaWlRVu3btXZs2eVkZHBPHeSOXPmaPLkybr99tv92pnv0Dt69KiSkpKUkpKiu+++W8eOHZNkf66D+tXeSNfQ0KCWlpZWP+4XHx/f6kf9ELwLc9nWPJ84ccLXJyYmRpdffnmrPvxbtM0Yo/z8fN1yyy1KTU2VxFyHWnV1tTIyMvTFF1/osssu08svv6zvfve7vv/gMs+hs3XrVh08eFBvv/12q8d4X4fW2LFjtWnTJo0YMUIff/yxnnjiCWVmZurQoUPW57pHhpELHA6H374xplUbvrlg5pl/i/bNnTtX7777rt54441WjzHXofHtb39bVVVV+vTTT7Vt2zbNnDlTe/fu9T3OPIdGbW2t5s+fr927dys2Nrbdfsx3aOTk5Pj+9/XXX6+MjAxdffXV+tOf/qSbb75Zkr257pGnaQYNGqSoqKhWSa6+vr5VKkTwLlylfbF5TkhIUHNzs/773/+22wf/56GHHtLOnTv12muvaejQob525jq0YmJidM011yg9PV2FhYUaNWqUnn76aeY5xCoqKlRfX6+0tDRFR0crOjpae/fu1TPPPKPo6GjffDHfnaNv3766/vrrdfToUevv7R4ZRmJiYpSWlqbS0lK/9tLSUmVmZlqqqvtJSUlRQkKC3zw3Nzdr7969vnlOS0tT7969/fq43W699957/Fv8P8YYzZ07V9u3b9eePXuUkpLi9zhz3bmMMWpqamKeQ2zixImqrq5WVVWVb0tPT9fPfvYzVVVV6aqrrmK+O1FTU5OOHDmixMRE++/tb3T5awS7cGvvunXrzOHDh82CBQtM3759zb///W/bpUWUxsZGU1lZaSorK40ks2LFClNZWem7RfrJJ580LpfLbN++3VRXV5uf/vSnbd4qNnToUPP3v//dHDx40Nx2223clvc1v/jFL4zL5TKvv/663215n332ma8Pcx0aBQUFpqyszBw/fty8++675rHHHjO9evUyu3fvNsYwz53t/99NYwzzHUoPP/ywef31182xY8fMW2+9Ze68807Tr18/3+eezbnusWHEGGOeffZZM3z4cBMTE2PGjBnju00SHffaa68ZSa22mTNnGmO+ul1syZIlJiEhwTidTvP973/fVFdX+z3H559/bubOnWsGDBhg+vTpY+68805TU1Nj4dV0XW3NsSSzYcMGXx/mOjTuv/9+338XBg8ebCZOnOgLIsYwz53t62GE+Q6dC98b0rt3b5OUlGR+8pOfmEOHDvketznXDmOM+WZrKwAAAMHrkdeMAACAroMwAgAArCKMAAAAqwgjAADAKsIIAACwijACAACsIowAAACrCCMAAMAqwggAALCKMAIAAKwijAAAAKsIIwAAwKr/AccZN27BrqREAAAAAElFTkSuQmCC", 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", 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" ] @@ -718,443 +739,434 @@ "text": [ "species mole percent\n", "C.......................................................................................................24.35%\n", - "C=CC....................................................................................................20.65%\n", - "miscillaneous large molecules............................................................................9.93%\n", - "CCC......................................................................................................1.39%\n", - "C=CC=CC..................................................................................................1.29%\n", - "C=CCCC...................................................................................................1.09%\n", - "C=CCC(C)C=CC.............................................................................................1.06%\n", - "C=C(C)C=CC...............................................................................................0.84%\n", - "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.....................................................................0.77%\n", - "CC=CCC...................................................................................................0.77%\n", - "C=C(C)CCC................................................................................................0.76%\n", - "CC=CC(C)CCC..............................................................................................0.74%\n", - "C=CCC(C)CC(C)CC(C)CCC....................................................................................0.71%\n", - "C=CCC(=C)C...............................................................................................0.67%\n", - "C=CCC=C..................................................................................................0.66%\n", + "C=CC....................................................................................................20.63%\n", + "miscillaneous large molecules.............................................................................8.8%\n", + "CCC......................................................................................................1.35%\n", + "C=CCCC...................................................................................................1.26%\n", + "C=CC=CC..................................................................................................1.25%\n", + "C=CCC(C)C=CC.............................................................................................1.08%\n", + "C=C(C)C=CC...............................................................................................0.81%\n", + "CC=CC(C)CCC..............................................................................................0.77%\n", + "C=C(C)CCC................................................................................................0.71%\n", + "C=C(C)CC(C)C=CC..........................................................................................0.69%\n", + "C=CCC(C)CC(C)CC(C)CCC....................................................................................0.69%\n", + "CC=CCC...................................................................................................0.63%\n", + "CCCCC....................................................................................................0.62%\n", + "C=CCC(=C)C...............................................................................................0.61%\n", "C=C(C)C...................................................................................................0.6%\n", - "CC=CC(C)C=CC.............................................................................................0.59%\n", - "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...............................................................0.58%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.....................................................................0.58%\n", "CC1=CCCC1................................................................................................0.57%\n", - "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC..................................................................0.55%\n", - "CCCCC....................................................................................................0.52%\n", - "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.................................................................0.5%\n", - "C=C(C)CC(C)C=CC..........................................................................................0.49%\n", - "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C........................................................................0.45%\n", - "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC............................................................0.45%\n", + "C=CCC(C)CC(C)CC(C)CC(=C)C................................................................................0.54%\n", + "C=CCC(C)CC(C)CC(C)C=CC...................................................................................0.51%\n", + "C=C(C)CC(C)CC(C)CC(C)CCC.................................................................................0.51%\n", + "C=CCC=C..................................................................................................0.51%\n", + "C=CCC(C)CC(=C)C..........................................................................................0.49%\n", + "C=CCC(C)CC(C)CC(C)C......................................................................................0.48%\n", + "CC=CC(C)C=CC.............................................................................................0.48%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)C=CC...........................................................................0.47%\n", + "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C........................................................................0.46%\n", "C=CCC(C)CC(C)CC(C)CC(C)C=CC..............................................................................0.44%\n", - "CC=CC(C)C................................................................................................0.44%\n", - "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC....................................................................0.42%\n", - "C=C(C)CC(C)CC(C)CC(C)CCC.................................................................................0.42%\n", - "C=CCC(C)CCC..............................................................................................0.41%\n", - "C=CCC(C)CC(=C)C..........................................................................................0.41%\n", - "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC......................................................................0.4%\n", - "CC=CC(C)CC(C)CC(C)CC(C)CCC................................................................................0.4%\n", - "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.......................................................0.4%\n", - "CCCC(C)CC(C)CC(C)C.......................................................................................0.39%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC................................................0.43%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...............................................................0.43%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC......................................................0.43%\n", + "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC..................................................................0.42%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CCC...............................................................................0.41%\n", + "CC=CC(C)C.................................................................................................0.4%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.....................................................................0.39%\n", + "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC....................................................................0.39%\n", "CC1=CC=CC1...............................................................................................0.39%\n", - "C=CCC(C)CC(C)CC(C)C......................................................................................0.38%\n", - "C=C(C)CC(C)CCC...........................................................................................0.38%\n", - "CC=CC(C)CC(C)CC(C)CCC....................................................................................0.38%\n", - "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.......................................................................0.37%\n", + "CCCC(C)CC(C)CC(C)C.......................................................................................0.38%\n", + "CC=CC(C)CC(C)CC(C)CCC....................................................................................0.37%\n", "CCCC(C)CC(C)CC(C)CCC.....................................................................................0.37%\n", - "C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C.................................................................0.36%\n", + "C=CCC(C)C................................................................................................0.37%\n", + "C=CCC(C)CC(C)C=CC........................................................................................0.37%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC................................................................0.36%\n", "CC=CC(C)CC(C)CC(C)CC(C)C.................................................................................0.35%\n", - 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"CC=CC(C)C1C=CC=C1C........................................................................................0.0%\n", - "C=CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C.............................................................0.0%\n", - "CCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C1C=CC=C1C................................................................0.0%\n", - "C=CCCC=C..................................................................................................0.0%\n", - "C=C(C)C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C....................................0.0%\n", - "CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C........................................................0.0%\n", - "C=CC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C...............................................................0.0%\n", + "CCC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C..............................................................0.0%\n", + "C=CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C................................................................0.0%\n", + "CC=CC(C)=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC................................................................0.0%\n", "C=CC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C..................................................................0.0%\n", - 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"C=CCC(C)CC(C)CC(C)CCC=CC..................................................................................0.0%\n", - "CC=CCC(C)CC(C)CC(C)C=CC...................................................................................0.0%\n", - "C=CC=CC(C)CC(C)CC(C)CCC...................................................................................0.0%\n", - "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)=CCC.......................................................................0.0%\n", - "C=C(C)C=CCC(C)CC(C)CC(C)C=CC..............................................................................0.0%\n", - "C=CC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C.............................................0.0%\n", - "C=CC=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.......................................0.0%\n", - "C=C(C)C=CCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(=C)C........................................0.0%\n", - "C=CCC(C)CCC(=C)C..........................................................................................0.0%\n", - "C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=C(C)C=CC........................................0.0%\n", - "C=CCC(C=C)CC..............................................................................................0.0%\n", - "C=CC=C(C)CCC(C)CC(C)=CC=C.................................................................................0.0%\n", - "C=CC=CCCC=CC=C............................................................................................0.0%\n", "CC(C)CCC(C)CC(C)CC(C)C....................................................................................0.0%\n", + "C=CC=CCC(C)CC=C...........................................................................................0.0%\n", + "C=CC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC................................................................0.0%\n", + "CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)=CCC......................................................0.0%\n", + "C=CC=CC=C(C)C.............................................................................................0.0%\n", + "CC=CCC=C(C)C..............................................................................................0.0%\n", + "C=CC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C=CC...............................................................0.0%\n", + "C=CC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=C...................................................................0.0%\n", + "CCC=C(C)CC(C)CC(C)CC(C)CCC(C)C............................................................................0.0%\n", + "C=CCCC=CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC..................................................................0.0%\n", + "C=CCCC=CC(=C)C............................................................................................0.0%\n", + "C=CCC(C=C)C(=C)C..........................................................................................0.0%\n", + "CCC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC(C)CC(C)CC(C)C...................................................0.0%\n", + "C=CC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC=CC(=C)C.........................................................0.0%\n", + "CCC=C(C)CCC(C)CC(C)C......................................................................................0.0%\n", "CC1=CC(C2C=C(C)CC2)CC1....................................................................................0.0%\n", + "C=CCC(C)CC(C)CCC(C)CC(C)CC(C)CC(C)CC(C)C=CC...............................................................0.0%\n", "C=CC=CCCC=C...............................................................................................0.0%\n", "C=CCCC1=CC=CC1............................................................................................0.0%\n" ] @@ -1167,7 +1179,7 @@ " if len(fraglist) == 1:\n", " new = fraglist[0].smiles\n", " elif len(fraglist) < 6:\n", - " new = FragList.merge_frag_list(fraglist)[0].smiles\n", + " new = merge_frag_list(fraglist)[0].smiles\n", " else:\n", " new = 'miscillaneous large molecules'\n", " if new in results_dictionary.keys():\n", diff --git a/rmgpy/data/kinetics/database.py b/rmgpy/data/kinetics/database.py index 6650a532cc9..97f1d84478c 100644 --- a/rmgpy/data/kinetics/database.py +++ b/rmgpy/data/kinetics/database.py @@ -46,7 +46,9 @@ PDepArrhenius, MultiArrhenius, MultiPDepArrhenius, \ Chebyshev, KineticsData, StickingCoefficient, \ StickingCoefficientBEP, SurfaceArrhenius, SurfaceArrheniusBEP, \ - ArrheniusBM, SurfaceChargeTransfer, KineticsModel, Marcus + ArrheniusBM, SurfaceChargeTransfer, KineticsModel, Marcus, \ + ArrheniusChargeTransfer, ArrheniusChargeTransferBM +from rmgpy.kinetics.uncertainties import RateUncertainty from rmgpy.molecule import Molecule, Group from rmgpy.reaction import Reaction, same_species_lists from rmgpy.species import Species @@ -70,6 +72,7 @@ def __init__(self): 'KineticsData': KineticsData, 'Arrhenius': Arrhenius, 'ArrheniusEP': ArrheniusEP, + 'ArrheniusChargeTransfer': ArrheniusChargeTransfer, 'MultiArrhenius': MultiArrhenius, 'MultiPDepArrhenius': MultiPDepArrhenius, 'PDepArrhenius': PDepArrhenius, @@ -84,11 +87,13 @@ def __init__(self): 'SurfaceChargeTransfer': SurfaceChargeTransfer, 'R': constants.R, 'ArrheniusBM': ArrheniusBM, + 'ArrheniusChargeTransferBM': ArrheniusChargeTransferBM, 'SoluteData': SoluteData, 'SoluteTSData': SoluteTSData, 'SoluteTSDiffData': SoluteTSDiffData, 'KineticsModel': KineticsModel, 'Marcus': Marcus, + 'RateUncertainty': RateUncertainty, } self.global_context = {} @@ -263,7 +268,16 @@ def load_libraries(self, path, libraries=None): for f in files: if f.lower() == 'reactions.py': library_file = os.path.join(root, f) - label = os.path.dirname(library_file)[len(path) + 1:] + dirname = os.path.dirname(library_file) + if dirname == path: + label = os.path.basename(dirname) + else: + label = os.path.relpath(dirname, path) + + if not label: + logging.warning(f"Empty label for {library_file}. Using 'default'.") + label = "default" + logging.info(f'Loading kinetics library {label} from {library_file}...') library = KineticsLibrary(label=label) try: diff --git a/rmgpy/data/kinetics/library.py b/rmgpy/data/kinetics/library.py index 4298084a8c1..63f8929e167 100644 --- a/rmgpy/data/kinetics/library.py +++ b/rmgpy/data/kinetics/library.py @@ -464,11 +464,16 @@ def load(self, path, local_context=None, global_context=None): local_context[key] = value # Process the file - f = open(path, 'r') + with open(path, 'r') as f: + content = f.read() try: - exec(f.read(), global_context, local_context) - except Exception: - logging.error('Error while reading database {0!r}.'.format(path)) + exec(content, global_context, local_context) + except Exception as e: + logging.exception(f'Error while reading database file {path}.') + line_number = e.__traceback__.tb_next.tb_lineno + logging.error(f'Error occurred at or near line {line_number} of {path}.') + lines = content.splitlines() + logging.error(f'Line: {lines[line_number - 1]}') raise f.close() diff --git a/rmgpy/molecule/fragment.py b/rmgpy/molecule/fragment.py index a4e3e98b643..2a58aa83fe1 100644 --- a/rmgpy/molecule/fragment.py +++ b/rmgpy/molecule/fragment.py @@ -39,6 +39,9 @@ from rmgpy.molecule.molecule import Atom, Bond, Molecule from rmgpy.molecule.atomtype import get_atomtype, AtomTypeError, ATOMTYPES, AtomType from rdkit import Chem +from numpy.random import default_rng + +rng = default_rng(0) # this variable is used to name atom IDs so that there are as few conflicts by # using the entire space of integer objects @@ -838,7 +841,7 @@ def from_rdkit_mol(self, rdkitmol, atom_replace_dict=None): return self - def cut_molecule(self, output_smiles=False, cut_through=True, size_threshold=None): + def cut_molecule(self, output_smiles=False, cut_through=True, size_threshold=5): """ For given input, output a list of cut fragments (either string or Fragment). if output_smiles = True, the output list of fragments will be smiles. @@ -890,15 +893,10 @@ def cut_molecule(self, output_smiles=False, cut_through=True, size_threshold=Non frag_list.append(res_frag) return frag_list - def sliceitup_arom(self, molecule, size_threshold=None): + def sliceitup_arom(self, molecule, size_threshold=5): """ Several specified aromatic patterns """ - # set min size for each aliphatic fragment size - if size_threshold: - size_threshold = size_threshold - else: - size_threshold = 5 # if input is smiles string, output smiles if isinstance(molecule, str): molecule_smiles = molecule @@ -957,22 +955,65 @@ def sliceitup_arom(self, molecule, size_threshold=None): >= size_threshold for mol in mol_set ): - # replace * at cutting position with cutting label - for ind, rdmol in enumerate(mol_set): - frag = Chem.MolToSmiles(rdmol) - if len(mol_set) > 2: # means it cut into 3 fragments + if len(mol_set) == 2: + frag1 = Chem.MolToSmiles(mol_set[0]) + frag2 = Chem.MolToSmiles(mol_set[1]) + + frag1_R = frag1.count("Na") + frag1_L = frag1.count("K") + frag2_R = frag2.count("Na") + frag2_L = frag2.count("K") + + # if frag 2 has the least Rs and frag 1 has the + # same or fewer Ls than frag 2 --> + # assign R to frag 2 and L to frag 1 + if frag1_R > frag2_R and frag1_L <= frag2_L: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + + # if frag 2 has the least Ls and frag 1 has the + # same or fewer Rs than frag 2 --> + # assign R to frag 1 and L to frag 2 + elif frag1_L > frag2_L and frag1_R <= frag2_R: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + + # if frag 1 has the least Ls and frag 2 has the + # same or fewer Rs than frag 1 --> + # assign R to frag 2 and L to frag 1 + elif frag2_L > frag1_L and frag2_R <= frag1_R: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + + # if frag 1 has the least Rs and frag 2 has the + # same or fewer Ls than frag 1 --> + # assign R to frag 1 and L to frag 2 + elif frag2_R > frag1_R and frag2_L <= frag1_L: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + + # else if frag 1 and frag 2 have equal number + # of Rs and Ls or one frag has more Rs and + # more Ls than the other, choose randomly + elif rng.integers(low=0, high=2, size=1)[0] == 1: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + else: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + + frag_list = [frag1_smi, frag2_smi] + + elif len(mol_set) > 2: # means it cut into 3 fragments + frag_list = [] + for ind, rdmol in enumerate(mol_set): + frag = Chem.MolToSmiles(rdmol) if frag.count("*") > 1: - # replace both with R - frag_smi = frag.replace("*", "R") - else: - frag_smi = frag.replace("*", "L") - else: # means it only cut once, generate 2 fragments - if ind == 0: frag_smi = frag.replace("*", "R") else: frag_smi = frag.replace("*", "L") - frag_list.append(frag_smi) - break + frag_list.append(frag_smi) + break else: # turn to next matched_atom_map continue @@ -1016,15 +1057,10 @@ def sliceitup_arom(self, molecule, size_threshold=None): frag_list_new.append(res_frag) return frag_list_new - def sliceitup_aliph(self, molecule, size_threshold=None): + def sliceitup_aliph(self, molecule, size_threshold=5): """ Several specified aliphatic patterns """ - # set min size for each aliphatic fragment size - if size_threshold: - size_threshold = size_threshold - else: - size_threshold = 5 # if input is smiles string, output smiles if isinstance(molecule, str): molecule_smiles = molecule @@ -1086,22 +1122,46 @@ def sliceitup_aliph(self, molecule, size_threshold=None): >= size_threshold for mol in mol_set ): - # replace * at cutting position with cutting label - for ind, rdmol in enumerate(mol_set): - frag = Chem.MolToSmiles(rdmol) - if len(mol_set) > 2: # means it cut into 3 fragments + if len(mol_set) == 2: + frag1 = Chem.MolToSmiles(mol_set[0]) + frag2 = Chem.MolToSmiles(mol_set[1]) + + frag1_R = frag1.count("Na") + frag1_L = frag1.count("K") + frag2_R = frag2.count("Na") + frag2_L = frag2.count("K") + + if frag1_R > frag2_R and frag1_L <= frag2_L: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + elif frag1_L > frag2_L and frag1_R <= frag2_R: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + elif frag2_L > frag1_L and frag2_R <= frag1_R: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + elif frag2_R > frag1_R and frag2_L <= frag1_L: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + elif rng.integers(low=0, high=2, size=1)[0] ==1: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + else: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + + frag_list = [frag1_smi, frag2_smi] + + elif len(mol_set) > 2: # means it cut into 3 fragments + frag_list = [] + for ind, rdmol in enumerate(mol_set): + frag = Chem.MolToSmiles(rdmol) if frag.count("*") > 1: - # replace both with R frag_smi = frag.replace("*", "R") else: frag_smi = frag.replace("*", "L") - else: # means it only cut once, generate 2 fragments - if ind == 0: - frag_smi = frag.replace("*", "R") - else: - frag_smi = frag.replace("*", "L") - frag_list.append(frag_smi) - break + frag_list.append(frag_smi) + break else: # turn to next matched_atom_map continue diff --git a/rmgpy/molecule/fragment_utils.py b/rmgpy/molecule/fragment_utils.py index 25fe5e5cb56..dead45cab9d 100644 --- a/rmgpy/molecule/fragment_utils.py +++ b/rmgpy/molecule/fragment_utils.py @@ -1,11 +1,16 @@ -from rmgpy.molecule.fragment import Fragment +from rmgpy.molecule.fragment import Fragment,CuttingLabel +from rmgpy.molecule.molecule import Bond +from rdkit import Chem +from numpy.random import randint from rmgpy.tools.canteramodel import Cantera from rmgpy.chemkin import load_chemkin_file import re import os import numpy as np import matplotlib.pyplot as plt +from numpy.random import default_rng +rng = default_rng(0) def match_sequences(seq1, seq2, rtol=1e-6): ''' @@ -98,7 +103,7 @@ def match_concentrations_with_same_sums(conc1, conc2, rtol=1e-6): seq1 = [tup[1] for tup in conc1] seq2 = [tup[1] for tup in conc2] - matches_seq = FragList.match_sequences(seq1, seq2, rtol) + matches_seq = match_sequences(seq1, seq2, rtol) matches_conc = [] for match_seq in matches_seq: @@ -184,7 +189,7 @@ def match_concentrations_with_different_sums(conc1, conc2): # let matches_conc match with remaining seq2 elif pin1 == len(seq1) and pin2 < len(seq2): remain_conc2 = [(labels2[pin2], val2)] + conc2[(pin2 + 1):] - matches_conc = FragList.match_concentrations_with_different_sums( + matches_conc = match_concentrations_with_different_sums( matches_conc, remain_conc2 ) @@ -216,14 +221,19 @@ def flatten(combo): return_list = [] for i in combo: if isinstance(i, tuple): - return_list.extend(FragList.flatten(i)) + return_list.extend(flatten(i)) else: return_list.append(i) return return_list - -# label should match the desired merging l/'abel on frag2 def merge_frag_to_frag(frag1, frag2, label): + """ + Merge two fragments with cutting labels by + 1. identifying the cutting labels in each fragment as L or R + 2. Remove cutting labels + 3. Merge fragments at cutting label sites by adding bond between + cutting label sites + """ from rmgpy.molecule import Bond from rmgpy.molecule.fragment import Fragment, CuttingLabel @@ -243,7 +253,6 @@ def merge_frag_to_frag(frag1, frag2, label): if cut2.symbol[0] == 'L': Ctl = cut2.symbol.replace('L', 'R') else: # that means this CuttingLabel is R something - Ctl = cut2.symbol.replace('R', 'L') # merge to frag_spe1 @@ -264,13 +273,13 @@ def merge_frag_to_frag(frag1, frag2, label): def merge_frag_list(to_be_merged): - import os + """ + Merge a list of fragments (with the same mole fraction) into + 1 molecule by using the merge_frag_to_frag function to merge + the first two fragments in the to_be_merged list until the list + length is only 1. + """ # merges fragments in list from right to left - species_list = [] - ethylene = [] - newlist = [] - warnings = [] - while len(to_be_merged) > 1: # second to last fragmentin list @@ -278,10 +287,10 @@ def merge_frag_list(to_be_merged): frag2 = to_be_merged[-1].smiles # last fragment in list if 'R' in frag1 and 'L' in frag2: - newfrag = FragList.merge_frag_to_frag(frag1, frag2, 'L') + newfrag = merge_frag_to_frag(frag1, frag2, 'L') elif 'L' in frag1 and 'R' in frag2: - newfrag = FragList.merge_frag_to_frag(frag1, frag2, 'R') + newfrag = merge_frag_to_frag(frag1, frag2, 'R') # warn user if last two fragments in list cannot be merged (no R/L # combo to be made) @@ -290,7 +299,7 @@ def merge_frag_list(to_be_merged): frag1, frag2)) if 'L' in frag1 and 'L' in frag2: - newfrag = FragList.merge_frag_to_frag( + newfrag = merge_frag_to_frag( frag1.replace('L', 'R'), frag2, 'L') if len(to_be_merged) > 2: cut = len(to_be_merged) - 2 @@ -304,9 +313,386 @@ def merge_frag_list(to_be_merged): to_be_merged = newfraglist to_be_merged = newfraglist - # newlist.append(newfraglist) # if done merging list, write final - # structure to list of smiles structures - - # print('{}% of fragments fully merged...'.format(np.round(100*(i+1)/len(flattened_matches_random)),1)) -# print(newfraglist) return newfraglist + +def check_if_radical_near_cutting_label(species_smiles): + """ + returns True if there is a radical center within 2 atoms of a cutting label + by looping through atoms, identifying radical centers, checking if any of + the radical center's neighbors or neighbor's neighbors are cutting labels + """ + species_fragment = Fragment().from_smiles_like_string(species_smiles) + for i, atom in enumerate(species_fragment.atoms): + species_fragment.atoms[i].id = i + for atom in species_fragment.atoms: + if atom.radical_electrons == 1: + bonded_atoms = list(atom.bonds.keys()) + bonded_atom_types = [type(x) for x in bonded_atoms] + if CuttingLabel in bonded_atom_types: + radical_near_cutting_label = atom + nearest_cutting_label = bonded_atoms[bonded_atom_types.index(CuttingLabel)] + return species_fragment, nearest_cutting_label + for atom2 in bonded_atoms: + bonded_atoms_2 = list(atom2.bonds.keys()) + bonded_atom_types_2 = [type(x) for x in bonded_atoms_2] + if CuttingLabel in bonded_atom_types_2: + radical_near_cutting_label = atom2 + nearest_cutting_label = bonded_atoms_2[bonded_atom_types_2.index(CuttingLabel)] + return species_fragment, nearest_cutting_label + else: + return False + +def check_if_pibond_near_cutting_label(species_smiles): + """ + returns True if there is a pi bond within 2 atoms of a cutting label + by looping through atoms, finding any atoms participating in double + bonds (bond order 2), and checking if the other atom in the bond is + a cutting label or bonded to a cutting label + """ + species_fragment = Fragment().from_smiles_like_string(species_smiles) + for i, atom in enumerate(species_fragment.atoms): + species_fragment.atoms[i].id = i + for atom in species_fragment.atoms: + neighboring_bond_orders = [x.order for x in atom.bonds.values()] + if 2 in neighboring_bond_orders: + bonded_atoms = list(atom.bonds.keys()) + bonded_atom_types = [type(x) for x in bonded_atoms] + if CuttingLabel in bonded_atom_types: + nearest_cutting_label = bonded_atoms[bonded_atom_types.index(CuttingLabel)] + return species_fragment, nearest_cutting_label + for atom2 in bonded_atoms: + bonded_atoms_2 = list(atom2.bonds.keys()) + bonded_atom_types_2 = [type(x) for x in bonded_atoms_2] + if CuttingLabel in bonded_atom_types_2: + nearest_cutting_label = bonded_atoms_2[bonded_atom_types_2.index(CuttingLabel)] + return species_fragment, nearest_cutting_label + else: + return False + +def merge_fragment_a_to_cutting_label_on_b(smiles_a, smiles_b, cuttinglabel): + """ + This function takes two SMILES strings representing molecular fragments and merges them at the specified + cutting label on the fragment represented by smiles_b + + Parameters: + smiles_a (str): The SMILES string of the first molecular fragment. + smiles_b (str): The SMILES string of the second molecular fragment. + cuttinglabel (CuttingLabel): The label indicating where the first fragment should be merged to the second. + + Returns: + Fragment: A new fragment object obtained by merging the two input fragments at the specified cutting label. + """ + a_frag = Fragment().from_smiles_like_string(smiles_a) + b_frag = Fragment().from_smiles_like_string(smiles_b) + for vertex in b_frag.vertices: + if isinstance(vertex, CuttingLabel): + + if vertex.symbol == cuttinglabel.symbol and str(vertex.bonds) == str(cuttinglabel.bonds): + cutb = vertex + + atom2 = list(cutb.edges.keys())[0] + b_frag.remove_atom(cutb) + break + if cutb.symbol[0] == 'L': + Ctl = cutb.symbol.replace('L', 'R') + else: # that means this CuttingLabel is R something + Ctl = cutb.symbol.replace('R', 'L') + + # merge to frag_spe1 + for vertex in a_frag.vertices: + if isinstance(vertex, CuttingLabel): + if vertex.symbol == Ctl: + cuta = vertex + atom1 = list(cuta.edges.keys())[0] + a_frag.remove_atom(cuta) + break + + # new merged fragment + new_frag = a_frag.merge(b_frag) + new_frag.add_bond(Bond(atom1=atom1, atom2=atom2, order=1)) + new_frag = new_frag.copy(deep=True) + new_frag.update() + for i, atom in enumerate(new_frag.atoms): + new_frag.atoms[i].id = i + return new_frag # return Fragment obtl + +def get_single_cc_bonds(frag): + """ + returns the input fragment and a list of single C-C bonds in a fragment or molecule + """ + single_cc_bonds = [tuple(sorted([x.atom1.id, x.atom2.id])) for x in frag.get_all_edges() if x.atom1.is_carbon() and x.atom2.is_carbon() and x.order ==1] + return frag, single_cc_bonds + +def get_atoms_neighboring_bond(frag, bond_idx): + """ + returns the input fragment and a list of atoms neighboring the input bond index in a fragment or molecule + """ + atom1id,atom2id = bond_idx + atom1 = frag.atoms[atom1id] + atom2 = frag.atoms[atom2id] + neighboring_atoms = [x for x in list(set(list(atom1.bonds.keys())+list(atom2.bonds.keys()))) if x!=atom1 and x!=atom2] + return frag, neighboring_atoms + +def flatten_list_of_lists(list_of_lists): + """ + returns a flattened version of a nested list, e.g. + [[0,1],[1,2],[2,3]] --> [0,1,1,2,2,3] + """ + return [item for lst in list_of_lists for item in lst] + +def get_atoms_nearby_bond(frag, bond_idx): + """ + returns the input fragment and a list of atoms neighboring the input bond index and atoms neighboring neighboring atoms + in a frragment or molecule + """ + atom1id,atom2id = bond_idx + atom1 = frag.atoms[atom1id] + atom2 = frag.atoms[atom2id] + frag, neighboring_atoms = get_atoms_neighboring_bond(frag, bond_idx) + neighboring_atoms = [x for x in neighboring_atoms] + neighboring_atoms_ = [] + for atom in neighboring_atoms: + neighboring_atoms_ += [x for x in atom.bonds.keys() ] + + nearby_atoms = list(set(neighboring_atoms + neighboring_atoms_)) + return frag, nearby_atoms + +def cut_specific_bond(frag, cut_bond_idx): + """ + returns a fragment list resulting from cutting the input fragment at a specified bond index + """ + + rdfrag, atom_mapping = frag.to_rdkit_mol(remove_h=False, return_mapping=True, save_order=True) + + atom_mapping_flipped = {v:k for k,v in atom_mapping.items()} + + + rdfrag,atom_mapping_flipped = replace_cutting_labels_with_metals(rdfrag, atom_mapping_flipped) + atom1 = atom_mapping[frag.atoms[cut_bond_idx[0]]] + atom2 = atom_mapping[frag.atoms[cut_bond_idx[1]]] + + bond_to_cut = rdfrag.GetBondBetweenAtoms(atom1,atom2) + + frag_list = cut_and_place_cutting_labels(rdfrag, bond_to_cut) + return frag_list + +def replace_cutting_labels_with_metals(rdfrag,atom_mapping_flipped): + """ + replace the cutting labels in an rdkit fragment with metal atoms + where R becomes Na and L becomes K. + """ + for idx,atom in atom_mapping_flipped.items(): + if isinstance(atom, CuttingLabel): + if atom.symbol == "R": + rdfrag.GetAtomWithIdx(idx).SetAtomicNum(11) # [Na] + else: + rdfrag.GetAtomWithIdx(idx).SetAtomicNum(19) # [K] + + return rdfrag, atom_mapping_flipped + +def cut_and_place_cutting_labels(rdfrag, bond_to_cut): + """ + returns a list of RMG fragments based on RDKit fragment with metal atoms and + a specified bond. The cutting labels are chosen in such a way that fragments + with 2 or more of the same cutting label are avoided if possible. + """ + newmol = Chem.RWMol(rdfrag) + new_mol = Chem.FragmentOnBonds(newmol, [bond_to_cut.GetIdx()], dummyLabels=[(0,0)]) + mol_set = Chem.GetMolFrags(new_mol, asMols=True) + + if len(mol_set) == 2: + frag1 = Chem.MolToSmiles(mol_set[0]) + frag2 = Chem.MolToSmiles(mol_set[1]) + + frag1_R = frag1.count("Na") + frag1_L = frag1.count("K") + frag2_R = frag2.count("Na") + frag2_L = frag2.count("K") + + if frag1_R > frag2_R and frag1_L <= frag2_L: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + elif frag1_L > frag2_L and frag1_R <= frag2_R: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + elif frag2_L > frag1_L and frag2_R <= frag1_R: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + elif frag2_R > frag1_R and frag2_L <= frag1_L: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + elif rng.integers(low=0, high=2, size=1)[0]==1: + frag1_smi = frag1.replace("*", "L") + frag2_smi = frag2.replace("*", "R") + else: + frag1_smi = frag1.replace("*", "R") + frag2_smi = frag2.replace("*", "L") + frag1_smi = frag1_smi.replace("[Na]", "R") + frag1_smi = frag1_smi.replace("[K]", "L") + frag2_smi = frag2_smi.replace("[Na]","R") + frag2_smi = frag2_smi.replace("[K]","L") + frag_list = [frag1_smi,frag2_smi] + frag_list = [Fragment().from_smiles_like_string(x).smiles for x in frag_list] + + return frag_list + +def add_starting_fragment_cut_if_needed(species_fragment, nearest_cutting_label, starting_fragment_smiles,species_cutting_threshold = 20): + merged_frag = merge_fragment_a_to_cutting_label_on_b(starting_fragment_smiles,species_fragment.smiles, nearest_cutting_label) + merged_frag_smiles = merged_frag.smiles + if merged_frag_smiles.count("C") + merged_frag_smiles.count("c") > species_cutting_threshold: + cuttable_bonds = return_cuttable_bonds(merged_frag) + options = [] + for cuttable_bond_idx_tuple in cuttable_bonds: + frag1smi, frag2smi = cut_specific_bond(merged_frag, cuttable_bond_idx_tuple) + options.append([frag1smi,frag2smi]) + + return options + else: + return [[merged_frag_smiles]] + +def check_if_bond_is_cuttable(frag, bond_idx_tuple): + """ + returns True if cutting the fragment at the bond index tuple specified does not result in a cutting label + near another cutting label, a radical center, or a pi bond + """ + frag, nearby_atoms = get_atoms_nearby_bond(frag, bond_idx_tuple) + nearby_bond_orders = flatten_list_of_lists([[x.order for x in atom.bonds.values()] for atom in nearby_atoms]) + nearby_cl_bool = (sum([1 for x in nearby_atoms if type(x)==CuttingLabel])>0) + nearby_radical_bool = (sum([x.radical_electrons for x in nearby_atoms]) > 0) + nearby_pi_bond_bool = any(x>1 for x in nearby_bond_orders) + if nearby_radical_bool ==False and nearby_pi_bond_bool == False and nearby_cl_bool ==False: + return True + else: + return False + +def return_cuttable_bonds(frag): + """ + returns all bonds in a fragment or molecule which have been determined cuttable by the + check_if_bond_is_cuttable function + """ + frag, single_cc_bonds = get_single_cc_bonds(frag) + cuttable_bonds = [] + for bond_idx_tuple in single_cc_bonds: + cuttable_bool = check_if_bond_is_cuttable(frag, bond_idx_tuple) + if cuttable_bool: + cuttable_bonds.append(bond_idx_tuple) + cuttable_bonds = list(set(cuttable_bonds)) + return cuttable_bonds + +def process_new_fragment(species_smiles, starting_fragment_smiles,species_cutting_threshold = 20): + """ + returns a list of fragment list options for the input species_smiles with acceptable cuts + (no cuts near pi bonds, radicals, or other cutting labels) + """ + + radical_result = check_if_radical_near_cutting_label(species_smiles) + + if radical_result != False: + species_fragment, nearest_cutting_label = radical_result + options = add_starting_fragment_cut_if_needed(species_fragment, nearest_cutting_label, starting_fragment_smiles,species_cutting_threshold = species_cutting_threshold) + return options + else: + pibond_result = check_if_pibond_near_cutting_label(species_smiles) + if pibond_result!=False: + species_fragment, nearest_cutting_label = pibond_result + options = add_starting_fragment_cut_if_needed(species_fragment, nearest_cutting_label, starting_fragment_smiles,species_cutting_threshold = species_cutting_threshold) + return options + else: + return species_smiles + +def make_new_reaction_string(species_smiles, starting_fragment_smiles, frag_list): + """ + returns reaction string for partial reattachment of species_smiles and + starting_fragment_smiles + """ + frag_list_str = " + ".join(frag_list) + return f"{species_smiles} + {starting_fragment_smiles} => {frag_list_str}" + + +def generate_add_partial_reattachment_reactions(seed_dir, starting_fragments): + """ + automatically generates partial reattachment reactions given path to seed + directory for fragment mechanism and updates the reactions.py files + """ + seed_reactions_filename = os.path.join(seed_dir, "reactions.py") + seed_dictionary_filename = os.path.join(seed_dir, "dictionary.txt") + + with open(seed_dictionary_filename, 'r') as f: + dictionary_lines = f.readlines() + + fragment_to_name_dictionary = {} + + dlines_iter = iter(dictionary_lines) + name = next(dlines_iter, "end").strip().strip('\n') + line = next(dlines_iter, "end") + while line != "end" and name !="end": + species_adjlist = "" + line = next(dlines_iter,"end") + while line.strip().strip('\n') != "": + species_adjlist += line + line = next(dlines_iter, "end") + + f = Fragment().from_adjacency_list(species_adjlist) + fragment_to_name_dictionary[f] = name + name = next(dlines_iter,"end").strip().strip('\n') + + rxn_strs = [] + for f in fragment_to_name_dictionary.keys(): + smiles = f.smiles + try: + for starting_fragment in starting_fragments: + options = process_new_fragment(smiles, starting_fragment, species_cutting_threshold=12) + if type(options) == list: + for option in options: + option_frags = [Fragment().from_smiles_like_string(x) for x in option] + if all([option in fragment_to_name_dictionary.keys() for option in option_frags]): + smiles_name = fragment_to_name_dictionary[Fragment().from_smiles_like_string(smiles)] + starting_fragment_name = fragment_to_name_dictionary[Fragment().from_smiles_like_string(starting_fragment)] + option_name = [fragment_to_name_dictionary[x] for x in option_frags] + rxn_str = make_new_reaction_string(smiles_name, starting_fragment_name, option_name) + if rxn_str not in rxn_strs: + rxn_strs.append(rxn_str) + + except: + continue + + seed_reaction_template = """ + entry( + index = {}, + label = \"{}\", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(3.18795e+13,'m^3/(mol*s)'), n=-1.177, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), + longDesc = + \"\"\" + \"\"\", + )""" + + with open(seed_reactions_filename, "r") as f: + lines = f.readlines() + for line in lines[::-1]: + if "index = " in line: + largest_idx = int(line.split()[-1].strip('\n').strip(',')) + break + + rxn_strs_in_seed_core = [] + for line in lines: + if "label = " in line: + r = line.split("\"")[1] + if r not in rxn_strs_in_seed_core: + rxn_strs_in_seed_core.append(r) + + j = 0 + seed_reaction_entries = [] + for i, rxn_str in enumerate(rxn_strs): + if rxn_str not in rxn_strs_in_seed_core: + j+=1 + entry = seed_reaction_template.format(largest_idx +j,rxn_str) + seed_reaction_entries.append(entry+"\n") + + if seed_reaction_entries: + with open(seed_reactions_filename,'a') as f: + f.writelines(seed_reaction_entries) + return f"Added {len(seed_reaction_entries)} partial reattachment reactions to {seed_reactions_filename}." + else: + return "No partial reattachment reactions to add" diff --git a/rmgpy/rmg/model.py b/rmgpy/rmg/model.py index ee6795806b2..86087742c85 100644 --- a/rmgpy/rmg/model.py +++ b/rmgpy/rmg/model.py @@ -59,7 +59,7 @@ from rmgpy.rmg.decay import decay_species from rmgpy.rmg.reactors import PhaseSystem, Phase, Interface, Reactor from rmgpy.molecule.fragment import Fragment - +from rmgpy.molecule.molecule import Molecule ################################################################################ @@ -303,13 +303,17 @@ def make_new_species(self, object, label="", reactive=True, check_existing=True, # If we're here then we're ready to make the new species if check_cut: - try: - mols = molecule.cut_molecule(cut_through=False) - except AttributeError: - # it's Molecule object, change it to Fragment and then cut + # set size_threshold to about half the molecule size + size_threshold = int((molecule.smiles.count("C")+molecule.smiles.count("c"))/2) + # if the molecule type is Molecule, change type to Fragment before cutting + if isinstance(molecule, Molecule): molecule = Fragment().from_adjacency_list(molecule.to_adjacency_list()) - mols = molecule.cut_molecule(cut_through=False) + # try to cut_molecule with size threshold set above + mols = molecule.cut_molecule(cut_through=False, size_threshold=size_threshold) + # if cut above can't be made try with default size_threshold = 5 if len(mols) == 1: + mols = molecule.cut_molecule(cut_through=False) + # if cut above can't be made, don't cut molecule = mols[0] else: return [self.make_new_species(mol, check_decay=check_decay) for mol in mols] diff --git a/rmgpy/tools/canteramodel.py b/rmgpy/tools/canteramodel.py index 15d26c29472..60e8ddb0448 100644 --- a/rmgpy/tools/canteramodel.py +++ b/rmgpy/tools/canteramodel.py @@ -216,10 +216,16 @@ def generate_cantera_conditions(reactor_type_list, reaction_time_list, mol_frac_ for reactor_type in reactor_type_list: for reaction_time in reaction_time_list: for mol_frac in mol_frac_list: - for surface_mol_frac in surface_mol_frac_list: + if surface_mol_frac_list != []: + for surface_mol_frac in surface_mol_frac_list: + for T in Tlist: + for P in Plist: + conditions.append(CanteraCondition(reactor_type, reaction_time, mol_frac, surface_mol_frac=surface_mol_frac, T0=T, P0=P)) + else: for T in Tlist: for P in Plist: - conditions.append(CanteraCondition(reactor_type, reaction_time, mol_frac, surface_mol_frac=surface_mol_frac, T0=T, P0=P)) + conditions.append(CanteraCondition(reactor_type, reaction_time, mol_frac, T0=T, P0=P)) + else: raise Exception("Cantera conditions must leave one of T0, P0, and V0 state variables unspecified") diff --git a/rmgpy/yml.py b/rmgpy/yml.py index 8b6e9f771f4..97305ccd3be 100644 --- a/rmgpy/yml.py +++ b/rmgpy/yml.py @@ -143,6 +143,7 @@ def obj_to_dict(obj, spcs, names=None, label="solvent"): result_dict["radicalchange"] = sum([get_radicals(x) for x in obj.products]) - \ sum([get_radicals(x) for x in obj.reactants]) result_dict["electronchange"] = -sum([spc.molecule[0].get_net_charge() for spc in obj.products]) + sum([spc.molecule[0].get_net_charge() for spc in obj.reactants]) + result_dict["reversible"] = obj.reversible result_dict["comment"] = obj.kinetics.comment elif isinstance(obj, Arrhenius): obj.change_t0(1.0)