KEGG:C08166 Toremifene ISISHOST03240423192D 1 1.00000 0.00000 7209 29 31 0 0 0 999 V2000 0.8897 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0.8966 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0.1621 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.6414 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0.1897 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 1.6138 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0.1586 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5414 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 1.6035 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 2.3172 -0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5172 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 1.6138 -2.4862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5517 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2621 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 2.3379 1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 3.0517 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2207 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 -2.8897 0.0000 C 0 0 0 0 0 0 0 0 0 2.3241 -2.8931 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.2586 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 3.0621 0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2172 -2.4931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0069 1.2069 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0172 2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7414 2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7621 3.2690 0.0000 N 0 0 3 0 0 0 0 0 0 -3.4552 3.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0103 3.7103 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 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 4 10 2 0 0 0 5 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 9 16 2 0 0 0 10 17 1 0 0 0 11 18 1 0 0 0 12 19 2 0 0 0 13 20 1 0 0 0 14 21 1 0 0 0 16 22 1 0 0 0 18 23 2 0 0 0 21 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 15 21 2 0 0 0 17 22 2 0 0 0 19 23 1 0 0 0 M END