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rdkit/Code/GraphMol/FileParsers/test_data/combined.mol
2010-06-02 17:55:35 +00:00

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Marvin 06021016032D
4 3 0 0 0 0 999 V2000
-0.2208 -2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4936 -1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2082 -2.3127 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0
0.4936 -1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
1 2 1 0 0 0 0
2 4 2 0 0 0 0
M CHG 1 3 -1
M SUB 1 3 2
M END