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023f7b4f0f
https://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/IterativeChirality_20Aug2008 into the trunk. This covers revs 798-828. Dependent chirality should now be correctly handled, but the handling of ring stereochemistry, i.e. things like: C[C@H]1CC[C@H](C)CC1 is still not 100% correct.
23 lines
888 B
Plaintext
23 lines
888 B
Plaintext
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Marvin 08200814542D
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9 8 0 0 0 0 999 V2000
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-1.9152 1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0902 1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5068 2.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3277 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3277 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1527 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8009 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1527 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6771 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0 0 0 0
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2 3 1 0 0 0 0
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1 4 1 0 0 0 0
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1 5 1 0 0 0 0
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5 6 2 0 0 0 0
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6 7 1 0 0 0 0
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4 8 2 0 0 0 0
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8 9 1 0 0 0 0
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M END
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