KEGG:C04721 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine ISISHOST03240423112D 1 1.00000 0.00000 4084 37 40 0 1 0 999 V2000 -0.1897 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8552 -1.0828 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1862 0.0724 0.0000 C 0 0 1 0 0 0 0 0 0 1.1552 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5172 -0.7034 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8517 -1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0.4793 0.4586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8586 0.4517 0.0000 C 0 0 2 0 0 0 0 0 0 -0.1966 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 1.1414 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1759 -1.0897 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5241 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5138 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0.4552 1.2276 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3966 0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1759 -1.8448 0.0000 C 0 0 2 0 0 0 0 0 0 -2.8345 -0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3759 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 1.1069 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1931 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8345 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4828 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 1.7552 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4828 -1.8448 0.0000 C 0 0 1 0 0 0 0 0 0 2.4069 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1345 -2.2172 0.0000 O 0 0 0 0 0 0 0 0 0 3.1345 1.1586 0.0000 N 0 0 0 0 0 0 0 0 0 2.4069 2.3448 0.0000 O 0 0 0 0 0 0 0 0 0 4.0966 1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 4.6621 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 4.6724 0.4517 0.0000 O 0 0 0 0 0 0 0 0 0 5.2897 1.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1897 -1.4414 0.0000 H 0 0 0 0 0 0 0 0 0 -0.8586 -0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 -1.5207 -1.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0.4552 1.9793 0.0000 H 0 0 0 0 0 0 0 0 0 -2.1793 -2.5966 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 7 14 1 1 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 30 32 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 1 33 1 6 0 0 2 34 1 1 0 0 5 35 1 6 0 0 14 36 1 6 0 0 16 37 1 1 0 0 M END