KEGG:C07629 Desogestrel ISISHOST03240423172D 1 1.00000 0.00000 6674 27 30 0 0 0 999 V2000 0.7793 0.4793 0.0000 C 0 0 1 0 0 0 0 0 0 0.7724 -0.3207 0.0000 C 0 0 2 0 0 0 0 0 0 1.4793 0.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0.0897 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0.7966 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0.0759 -0.7207 0.0000 C 0 0 1 0 0 0 0 0 0 2.1586 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 2.1690 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 2.2207 1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 1.4897 1.6759 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6103 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0.1448 1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6138 -0.3138 0.0000 C 0 0 2 0 0 0 0 0 0 0.0759 -1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 2.9655 1.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3000 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3138 -0.7138 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6207 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3172 -1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0069 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0069 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7069 -0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7069 -1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0.7517 -1.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0.0241 0.0552 0.0000 H 0 0 0 0 0 0 0 0 0 -0.6241 -1.1207 0.0000 H 0 0 0 0 0 0 0 0 0 -1.3172 0.1414 0.0000 H 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 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 6 0 0 3 10 1 1 0 0 4 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 0 0 0 9 15 3 0 0 0 11 16 2 0 0 0 13 17 1 0 0 0 14 18 1 0 0 0 17 19 1 0 0 0 17 20 1 0 0 0 19 21 2 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 7 8 1 0 0 0 11 13 1 0 0 0 18 19 1 0 0 0 22 23 1 0 0 0 2 24 1 6 0 0 6 25 1 1 0 0 13 26 1 6 0 0 17 27 1 1 0 0 M END