Published Histories | ana88 | Conformer Generation
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Galaxy History ' Conformer Generation'


DatasetAnnotation
1: CID_145823.sdf
197 lines
format: txt, database: ?
Info: uploaded txt file
145823
-OEChem-02281709322D
57 58 0 0 0 0 0 0 0999 V2000
10.9703 -2.3101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5133 -4.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2: Generate Conformers on data 1
788 lines
format: text, database: ?
145823
OpenBabel02281720022D
57 58 0 0 0 0 0 0 0 0999 V2000
10.9703 -2.3101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2474 2.7035 -0.8173 O 0 0 0 0 0 0 0 0 0 0 0 0