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315939f7ae
* add test for conformer canonicalization inverting stereo * Fix problem with canonicalizeConformer inverting stereo * response to review cleanup fix the other tests affected by this change
70 lines
2.7 KiB
Plaintext
70 lines
2.7 KiB
Plaintext
cdk2_1oir_LIG
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RDKit 3D
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31 34 0 0 1 0 0 0 0 0999 V2000
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M END |