KEGG:C05122 Taurocholate ISISHOST03240423112D 1 1.00000 0.00000 4346 36 39 0 1 0 999 V2000 -0.9414 -0.7966 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2759 -0.4069 0.0000 C 0 0 3 0 0 0 0 0 0 -1.6035 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9379 -1.5621 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2724 0.3621 0.0000 C 0 0 3 0 0 0 0 0 0 1.0552 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2621 -0.8000 0.0000 C 0 0 3 0 0 0 0 0 0 -1.6103 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6000 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2862 -1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0.3931 0.7448 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9448 0.7414 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2966 1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 1.0552 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2621 -1.5586 0.0000 C 0 0 2 0 0 0 0 0 0 -2.9207 -0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2655 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0.3966 1.4931 0.0000 C 0 0 3 0 0 0 0 0 0 -1.4828 1.2759 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9207 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5690 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0448 1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2517 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5690 -1.5586 0.0000 C 0 0 1 0 0 0 0 0 0 1.6931 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2207 -1.9310 0.0000 O 0 0 0 0 0 0 0 0 0 2.3448 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 2.9931 1.4862 0.0000 N 0 0 0 0 0 0 0 0 0 2.3483 2.6138 0.0000 O 0 0 0 0 0 0 0 0 0 2.9897 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 3.6379 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 3.6345 -0.3931 0.0000 S 0 0 3 0 0 0 0 0 0 2.8862 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 3.6345 -1.1379 0.0000 O 0 0 0 0 0 0 0 0 0 4.3862 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2655 -2.3103 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 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 32 34 2 0 0 0 32 35 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 36 1 1 0 0 M END