KEGG:C07434 Phenobarbital ISISHOST03240423172D 1 1.00000 0.00000 6481 17 18 0 0 0 999 V2000 -0.2483 -0.0276 0.0000 C 0 0 3 0 0 0 0 0 0 0.4621 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9793 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2483 -0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0.4586 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 1.1759 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0.4517 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6897 -0.0276 0.0000 N 0 0 0 0 0 0 0 0 0 -0.9793 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9793 -1.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0.4552 -1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 1.2862 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 1.8862 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 1.1621 1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6897 -0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 1.8793 1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4035 -1.2655 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 2 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 2 0 0 0 4 10 1 0 0 0 4 11 2 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 7 14 2 0 0 0 8 15 1 0 0 0 13 16 2 0 0 0 15 17 2 0 0 0 10 15 1 0 0 0 14 16 1 0 0 0 M END