KEGG:C07397 Quetiapine ISISHOST03240423172D 1 1.00000 0.00000 6444 27 30 0 0 0 999 V2000 -0.7448 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7862 -0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 0.3552 0.0000 N 0 0 3 0 0 0 0 0 0 -1.6897 0.5241 0.0000 N 0 0 0 0 0 0 0 0 0 -1.3552 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0138 -0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0.6862 -0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0.0103 1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6138 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1793 -1.3069 0.0000 S 0 0 0 0 0 0 0 0 0 -1.1448 -2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 -1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 1.4172 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.7448 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6207 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3138 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3690 -2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1.4483 1.1310 0.0000 N 0 0 3 0 0 0 0 0 0 -3.3241 -1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0172 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 2.1621 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0172 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 2.8759 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 3.5897 1.5483 0.0000 O 0 0 0 0 0 0 0 0 0 4.3069 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 5.0241 1.5517 0.0000 C 0 0 0 0 0 0 0 0 0 5.7414 1.1448 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 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 7 13 1 0 0 0 8 14 1 0 0 0 9 15 2 0 0 0 9 16 1 0 0 0 11 17 2 0 0 0 13 18 1 0 0 0 15 19 1 0 0 0 16 20 2 0 0 0 18 21 1 0 0 0 19 22 2 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 10 15 1 0 0 0 12 17 1 0 0 0 14 18 1 0 0 0 20 22 1 0 0 0 M END