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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.
19 lines
704 B
Plaintext
19 lines
704 B
Plaintext
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Marvin 08270811332D
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7 6 0 0 0 0 999 V2000
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-3.3000 -0.0295 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7166 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8916 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4791 1.2684 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1291 1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9541 1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.5375 1.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
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2 3 2 0 0 0 0
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3 4 1 0 0 0 0
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2 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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M END
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