KEGG:C03070 3-Oxo-5beta-cholanate ISISHOST03240423072D 1 1.00000 0.00000 2711 32 35 0 1 0 999 V2000 0.4414 -0.4724 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2241 -0.8621 0.0000 C 0 0 1 0 0 0 0 0 0 0.4448 0.2966 0.0000 C 0 0 1 0 0 0 0 0 0 1.7724 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8862 -0.4793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2172 -1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 1.1103 0.6793 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2276 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0.4414 1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 1.7759 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5448 -0.8655 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8931 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8793 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 1.1138 1.4310 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5448 -1.6241 0.0000 C 0 0 2 0 0 0 0 0 0 -2.2000 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5517 -0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 1.7655 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0.4655 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2000 -2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8517 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 2.4138 1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8517 -1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 3.0621 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5034 -1.9966 0.0000 O 0 0 0 0 0 0 0 0 0 3.7103 1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 3.0621 2.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0.4414 -1.2207 0.0000 H 0 0 0 0 0 0 0 0 0 -0.2310 -0.1069 0.0000 H 0 0 0 0 0 0 0 0 0 -0.8897 -1.2276 0.0000 H 0 0 0 0 0 0 0 0 0 1.1103 2.1793 0.0000 H 0 0 0 0 0 0 0 0 0 -1.5517 -2.3724 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 7 14 1 1 0 0 11 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 14 18 1 0 0 0 14 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 20 23 1 0 0 0 22 24 1 0 0 0 23 25 2 0 0 0 24 26 1 0 0 0 24 27 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 15 1 0 0 0 21 23 1 0 0 0 1 28 1 6 0 0 2 29 1 1 0 0 5 30 1 6 0 0 14 31 1 6 0 0 15 32 1 1 0 0 M END