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lines changed Original file line number Diff line number Diff line change
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+ 9
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+ 1SOL O 1 0.135 0.183 0.341
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+ 1SOL H 2 0.177 0.149 0.262
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+ 1SOL H 3 0.046 0.149 0.339
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+ 2SOL O 4 0.520 0.447 0.111
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+ 2SOL H 5 0.567 0.481 0.035
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+ 2SOL H 6 0.568 0.481 0.186
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+ 3SOL O 7 0.651 0.539 0.335
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+ 3SOL H 8 0.653 0.634 0.336
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+ 3SOL H 9 0.743 0.512 0.336
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+ 0.7822838765564372 0.7353572647182051 0.9036518515423753
Original file line number Diff line number Diff line change
1
+
2
+ 9
3
+ 1SOL O 1 0.135 0.183 0.341
4
+ 1SOL H 2 0.177 0.149 0.262
5
+ 1SOL H 3 0.046 0.149 0.339
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+ 2SOL O 4 0.520 0.447 0.111
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+ 2SOL H 5 0.567 0.481 0.035
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+ 2SOL H 6 0.568 0.481 0.186
9
+ 3SOL O 7 0.651 0.539 0.335
10
+ 3SOL H 8 0.653 0.634 0.336
11
+ 3SOL H 9 0.743 0.512 0.336
12
+ 0.7822838765564372 0.7353572647182051 0.9036518515423753 0.0 0.1 0.2 0.3 0.4 0.5
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