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Originally I mistakenly named these libraries `0.2`, where infact they are version `2.0`. The libraries names were corrected now as well. Main changes in this commit are: - The AdjLists of [C] were corrected to a multiplicity 3 instead of 5 (see issue #171) - The AdjLists of [CH] were corrected to a multiplicity 2 instead of 4 (see issue #172) - The representation of CH2 and CH2(S) was correct and wasn't changed - Reactions of `[CH]*` and `[OH]*` (which currently cannot be represented in RMG) were added as a comment
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Originally I mistakenly named these libraries with the suffix
0.2, where in fact they are version2.0.The libraries names were corrected now as well.
Main changes in this commit are:
[CH]*and[OH]*(which currently cannot be represented in RMG) were added as a comment