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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.
24 lines
910 B
Plaintext
24 lines
910 B
Plaintext
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Marvin 08200808272D
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9 9 0 0 0 0 999 V2000
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-0.4420 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-1.1564 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-1.1564 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4420 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2725 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2725 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-0.4420 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9870 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8709 0.0000 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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1 6 1 0 0 0 0
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2 3 1 0 0 0 0
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3 4 1 0 0 0 0
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4 5 1 0 0 0 0
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5 6 1 0 0 0 0
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1 7 1 6 0 0 0
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6 8 1 6 0 0 0
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2 9 1 1 0 0 0
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M END
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