KEGG:C01292 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate ISISHOST03240423042D 1 1.00000 0.00000 1215 30 33 0 1 0 999 V2000 -0.2276 -0.8448 0.0000 C 0 0 3 0 0 0 0 0 0 0.4379 -0.4586 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8897 -0.4655 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2207 -1.6103 0.0000 C 0 0 1 0 0 0 0 0 0 0.4414 0.3103 0.0000 C 0 0 3 0 0 0 0 0 0 1.7690 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5483 -0.8517 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8966 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8862 -1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0.4276 -1.9862 0.0000 O 0 0 0 0 0 0 0 0 0 1.1069 0.6931 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2310 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0.4379 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 1.7690 0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5483 -1.6103 0.0000 C 0 0 2 0 0 0 0 0 0 -2.2034 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5655 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 1.1103 1.4448 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2379 1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2034 -1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8552 -0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 1.7586 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0.3862 1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8552 -1.6103 0.0000 C 0 0 1 0 0 0 0 0 0 2.4069 1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5069 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 3.0586 1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 3.7069 1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 3.0586 2.5621 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5552 -2.3586 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 4 9 1 0 0 0 4 10 1 6 0 0 5 11 1 0 0 0 5 12 1 0 0 0 5 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 7 16 1 0 0 0 7 17 1 0 0 0 11 18 1 0 0 0 12 19 2 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 18 23 1 0 0 0 20 24 1 0 0 0 22 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 8 12 1 0 0 0 9 15 1 0 0 0 11 14 1 0 0 0 21 24 1 0 0 0 15 30 1 1 0 0 M END