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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.
21 lines
796 B
Plaintext
21 lines
796 B
Plaintext
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Marvin 08200808422D
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8 7 0 0 0 0 999 V2000
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-0.7071 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0073 0.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.7218 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0073 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4216 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4363 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1507 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1877 -0.3536 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 1 0 0 0 0
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2 4 1 6 0 0 0
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1 5 2 0 0 0 0
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3 6 2 0 0 0 0
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6 7 1 0 0 0 0
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5 8 1 0 0 0 0
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M END
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