KEGG:C07880 Ursodiol ISISHOST03240423182D 1 1.00000 0.00000 6925 32 35 0 0 0 999 V2000 0.4207 -0.4276 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2655 -0.8241 0.0000 C 0 0 1 0 0 0 0 0 0 0.4310 0.3655 0.0000 C 0 0 1 0 0 0 0 0 0 1.7966 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9483 -0.4172 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2655 -1.6172 0.0000 C 0 0 2 0 0 0 0 0 0 1.1207 0.7517 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2517 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0.4483 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 1.8069 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6414 -0.8138 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9448 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9586 -2.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0.4241 -2.0172 0.0000 O 0 0 0 0 0 0 0 0 0 1.1310 1.5483 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6448 -1.6103 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3276 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6448 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 1.8517 1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0.4241 1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3276 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0241 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 2.5621 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0241 -1.6103 0.0000 C 0 0 1 0 0 0 0 0 0 3.2793 1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7138 -2.0103 0.0000 O 0 0 0 0 0 0 0 0 0 3.9897 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 3.2897 2.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0.4034 -1.3000 0.0000 H 0 0 0 0 0 0 0 0 0 -0.2793 -0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 -0.9621 -1.2586 0.0000 H 0 0 0 0 0 0 0 0 0 -1.6448 -2.5448 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 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 3 9 1 1 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 1 0 0 7 15 1 1 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 1 0 0 15 19 1 0 0 0 15 20 1 6 0 0 16 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 25 28 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 22 24 1 0 0 0 1 29 1 6 0 0 2 30 1 1 0 0 5 31 1 6 0 0 16 32 1 1 0 0 M END