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rdkit/Code/GraphMol/FileParsers/test_data/parity.nitrogen.mol
2009-01-26 05:56:28 +00:00

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Marvin 01260906353D
5 4 0 0 0 0 999 V2000
-1.0166 -1.0569 2.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 -1.0787 1.4483 N 0 0 1 0 0 0 0 0 0 0 0 0
-0.2428 -0.1856 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 -0.2285 -0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9138 -0.4672 2.3759 I 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
2 5 1 0 0 0 0
M END