KEGG:C05465 Taurochenodeoxycholate ISISHOST03240423122D 1 1.00000 0.00000 4636 35 38 0 0 0 999 V2000 -0.6069 -0.7069 0.0000 C 0 0 3 0 0 0 0 0 0 -1.3103 -1.1103 0.0000 C 0 0 3 0 0 0 0 0 0 -0.6000 0.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0.7897 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0069 -0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 -1.3103 -1.9207 0.0000 C 0 0 1 0 0 0 0 0 0 0.1069 0.4966 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2966 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6069 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0.8000 0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7172 -1.1035 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0000 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0138 -2.3241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6103 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0.1172 1.3103 0.0000 C 0 0 3 0 0 0 0 0 0 -2.7207 -1.9172 0.0000 C 0 0 2 0 0 0 0 0 0 -3.4138 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7241 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 1.7069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5862 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4138 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1241 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 1.5241 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1241 -1.9172 0.0000 C 0 0 1 0 0 0 0 0 0 2.2276 1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7034 -2.4897 0.0000 O 0 0 0 0 0 0 0 0 0 2.9276 1.2759 0.0000 N 0 0 0 0 0 0 0 0 0 2.2379 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 3.6310 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 4.3310 1.2552 0.0000 C 0 0 0 0 0 0 0 0 0 5.1448 1.2552 0.0000 S 0 0 3 0 0 0 0 0 0 5.9552 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 5.1379 2.0655 0.0000 O 0 0 0 0 0 0 0 0 0 5.1379 0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7276 -2.7241 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 6 14 1 6 0 0 7 15 1 0 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 1 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 25 28 2 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 31 34 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 22 24 1 0 0 0 16 35 1 1 0 0 M END