Files
rdkit/Code/GraphMol/FileParsers/test_data/chiral_flag.mol
Greg Landrum 6157ec6547 Fix #64
2013-07-09 07:19:24 +02:00

15 lines
523 B
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Mrv0541 07091305252D
5 4 0 0 1 0 999 V2000
0.1473 2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8618 2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 2.8580 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 1.6205 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 2.0330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 1 0 0 0
M END