KEGG:C01921 Glycocholate ISISHOST03240423052D 1 1.00000 0.00000 1746 38 41 0 1 0 999 V2000 -0.7103 -0.7552 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0966 -0.3862 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3448 -0.3931 0.0000 C 0 0 1 0 0 0 0 0 0 -0.7103 -1.4759 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1000 0.3276 0.0000 C 0 0 1 0 0 0 0 0 0 1.1483 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9621 -0.7552 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3517 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3379 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0621 -1.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0.5276 0.6966 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7207 0.6897 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0897 1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 1.1552 0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9586 -1.4828 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5931 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0103 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0.5241 1.4483 0.0000 C 0 0 1 0 0 0 0 0 0 -0.9034 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5862 -1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2172 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 1.1724 1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1276 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2138 -1.4897 0.0000 C 0 0 1 0 0 0 0 0 0 1.8207 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8621 -1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 1.8241 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 2.7621 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 1.8172 -0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 3.4069 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 4.0517 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 4.0517 -0.0483 0.0000 O 0 0 0 0 0 0 0 0 0 4.7034 1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7138 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 -0.0966 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 -1.3483 -1.1414 0.0000 H 0 0 0 0 0 0 0 0 0 -1.9621 -2.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0.5241 2.2034 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 1 0 0 6 14 1 0 0 0 7 15 1 0 0 0 7 16 1 0 0 0 7 17 1 1 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 6 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 31 33 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 1 34 1 1 0 0 2 35 1 6 0 0 3 36 1 6 0 0 15 37 1 1 0 0 18 38 1 1 0 0 M END