KEGG:C01558 Bile salt ISISHOST03240423042D 1 1.00000 0.00000 1428 30 33 0 1 0 999 V2000 -0.2310 -0.8414 0.0000 C 0 0 3 0 0 0 0 0 0 0.4345 -0.4517 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8931 -0.4621 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2241 -1.6069 0.0000 C 0 0 1 0 0 0 0 0 0 0.4379 0.3138 0.0000 C 0 0 3 0 0 0 0 0 0 1.7655 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5483 -0.8448 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9000 0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8862 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0.4241 -1.9828 0.0000 O 0 0 0 0 0 0 0 0 0 1.1035 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2345 0.6966 0.0000 C 0 0 2 0 0 0 0 0 0 0.4345 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 1.7517 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5483 -1.6035 0.0000 C 0 0 2 0 0 0 0 0 0 -2.2069 -0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5586 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 1.1069 1.4483 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2379 1.4448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2069 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8586 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 1.7586 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0.4586 1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8586 -1.6035 0.0000 C 0 0 1 0 0 0 0 0 0 2.4069 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5069 -1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 3.0552 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 3.7034 1.4379 0.0000 O 0 0 0 0 0 0 0 0 0 3.0586 2.5690 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5586 -2.3552 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 1 6 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