KEGG:C03990 3alpha-Hydroxy-5beta-cholanate ISISHOST03240423092D 1 1.00000 0.00000 3462 31 34 0 1 0 999 V2000 0.3966 -0.3310 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3207 -0.7379 0.0000 C 0 0 1 0 0 0 0 0 0 0.4103 0.4966 0.0000 C 0 0 1 0 0 0 0 0 0 1.1759 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0310 -0.3207 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3207 -1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 1.1862 0.7517 0.0000 C 0 0 2 0 0 0 0 0 0 -0.3069 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0.5966 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 1.6552 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7552 -0.7379 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0241 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0310 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 1.4621 1.5448 0.0000 C 0 0 1 0 0 0 0 0 0 -1.7552 -1.5724 0.0000 C 0 0 2 0 0 0 0 0 0 -2.4759 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7552 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 2.2759 1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0.9103 2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4759 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1828 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1828 -1.5724 0.0000 C 0 0 1 0 0 0 0 0 0 3.6138 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9069 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.1414 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 3.8966 1.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0.4103 -1.1517 0.0000 H 0 0 0 0 0 0 0 0 0 -0.3138 0.0966 0.0000 H 0 0 0 0 0 0 0 0 0 -1.0414 -1.1517 0.0000 H 0 0 0 0 0 0 0 0 0 -1.7552 -2.3897 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 11 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 14 18 1 0 0 0 14 19 1 6 0 0 15 20 1 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 20 23 1 0 0 0 22 24 1 0 0 0 23 25 1 6 0 0 24 26 1 0 0 0 24 27 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 15 1 0 0 0 21 23 1 0 0 0 1 28 1 6 0 0 2 29 1 1 0 0 5 30 1 6 0 0 15 31 1 1 0 0 M END