KEGG:C05483 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one ISISHOST03240423122D 1 1.00000 0.00000 4654 25 28 0 1 0 999 V2000 -0.9138 -0.3655 0.0000 C 0 0 3 0 0 0 0 0 0 0.3897 -1.1138 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2345 -1.1138 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9138 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 1.7207 -0.3655 0.0000 C 0 0 3 0 0 0 0 0 0 0.3897 -2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2517 -2.6069 0.0000 C 0 0 3 0 0 0 0 0 0 -3.5414 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2345 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0.3897 1.8897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2241 1.9035 0.0000 O 0 0 0 0 0 0 0 0 0 1.7345 1.1276 0.0000 C 0 0 3 0 0 0 0 0 0 3.1414 -0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9138 -3.3793 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5552 -3.3586 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8621 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 3.1586 1.5828 0.0000 C 0 0 3 0 0 0 0 0 0 1.7379 2.7138 0.0000 C 0 0 0 0 0 0 0 0 0 3.9931 0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8759 -2.6069 0.0000 C 0 0 1 0 0 0 0 0 0 3.8069 2.9552 0.0000 C 0 0 3 0 0 0 0 0 0 -6.2276 -3.3586 0.0000 O 0 0 0 0 0 0 0 0 0 5.3000 3.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.9379 4.1897 0.0000 O 0 0 0 0 0 0 0 0 0 6.0483 1.8000 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 0 0 0 4 10 1 0 0 0 4 11 2 0 0 0 5 12 1 0 0 0 5 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 8 16 1 0 0 0 12 17 1 0 0 0 12 18 1 0 0 0 13 19 1 0 0 0 15 20 1 0 0 0 17 21 1 0 0 0 20 22 1 6 0 0 21 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 7 14 1 0 0 0 10 12 1 0 0 0 16 20 1 0 0 0 17 19 1 0 0 0 M END