KEGG:C04722 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate ISISHOST03240423112D 1 1.00000 0.00000 4085 34 37 0 1 0 999 V2000 -0.5379 -0.8448 0.0000 C 0 0 3 0 0 0 0 0 0 0.1276 -0.4586 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2000 -0.4621 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5310 -1.6310 0.0000 C 0 0 1 0 0 0 0 0 0 0.1310 0.3103 0.0000 C 0 0 1 0 0 0 0 0 0 1.4552 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8586 -0.8483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2069 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1966 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0.0897 -2.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0.7966 0.6931 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5414 0.6931 0.0000 C 0 0 2 0 0 0 0 0 0 0.1241 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 1.4621 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8586 -1.6069 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5172 -0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8621 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0.8000 1.4448 0.0000 C 0 0 1 0 0 0 0 0 0 -0.9207 1.3414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5172 -1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1655 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 1.4517 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0.1517 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1690 -1.6035 0.0000 C 0 0 1 0 0 0 0 0 0 2.1000 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8207 -1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 2.0966 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 2.8483 0.6862 0.0000 C 0 0 3 0 0 0 0 0 0 3.2241 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 3.2207 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 3.9724 1.3345 0.0000 O 0 0 0 0 0 0 0 0 0 2.8483 1.9862 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8655 -2.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0.8000 2.1931 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 28 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 29 32 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 15 33 1 1 0 0 18 34 1 1 0 0 M END