KEGG:C03542 Thiopurine S-methylether ISISHOST03240423082D 1 1.00000 0.00000 3092 11 12 0 0 0 999 V2000 0.3138 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0.3138 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3793 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 1.0793 -0.3310 0.0000 N 0 0 0 0 0 0 0 0 0 1.0759 0.9690 0.0000 N 0 0 0 0 0 0 0 0 0 -0.3828 1.1172 0.0000 N 0 0 0 0 0 0 0 0 0 -1.0793 -0.0828 0.0000 N 0 0 0 0 0 0 0 0 0 -0.3793 -1.2379 0.0000 S 0 0 0 0 0 0 0 0 0 1.5517 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0828 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0310 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 6 10 2 0 0 0 8 11 1 0 0 0 5 9 2 0 0 0 7 10 1 0 0 0 M END