KEGG:C05463 Taurodeoxycholate ISISHOST03240423122D 1 1.00000 0.00000 4634 34 37 0 0 0 999 V2000 -0.5862 -0.8207 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2862 -1.2241 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5759 -0.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0.8138 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9862 -0.8103 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2862 -2.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0.1310 0.3828 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2724 0.3966 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5793 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0.8241 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6897 -1.2172 0.0000 C 0 0 2 0 0 0 0 0 0 -1.9793 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9931 -2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0.1414 1.1931 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2759 1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.6931 -2.0276 0.0000 C 0 0 3 0 0 0 0 0 0 -3.3931 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6966 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0.8483 1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5586 1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3931 -2.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0966 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 1.5483 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0966 -2.0276 0.0000 C 0 0 1 0 0 0 0 0 0 2.2517 1.5759 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8000 -2.4276 0.0000 O 0 0 0 0 0 0 0 0 0 2.9483 1.1586 0.0000 N 0 0 0 0 0 0 0 0 0 2.2483 2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 3.6586 1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 4.3517 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 5.1655 1.1414 0.0000 S 0 0 3 0 0 0 0 0 0 5.9793 1.1414 0.0000 O 0 0 0 0 0 0 0 0 0 5.1621 1.9552 0.0000 O 0 0 0 0 0 0 0 0 0 5.1621 0.3310 0.0000 O 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 7 14 1 0 0 0 8 15 1 6 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 1 0 0 14 19 1 0 0 0 14 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 M END