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rdkit/Code/GraphMol/FileParsers/test_data/chiral1.mol
2019-10-10 20:18:43 +09:00

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chiral1.mol
ChemDraw04200416412D
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-0.0141 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8109 0.0553 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.4266 0.7697 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 -0.7697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.8109 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 1
1 5 1 0
M END