KEGG:C05478 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione ISISHOST03240423122D 1 1.00000 0.00000 4649 25 28 0 1 0 999 V2000 -0.9103 -0.3655 0.0000 C 0 0 3 0 0 0 0 0 0 0.3828 -1.1069 0.0000 C 0 0 3 0 0 0 0 0 0 -2.2207 -1.1069 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9103 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 -0.3655 0.0000 C 0 0 3 0 0 0 0 0 0 0.3828 -2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2345 -2.5862 0.0000 C 0 0 3 0 0 0 0 0 0 -3.5138 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2207 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0.3828 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2207 1.8897 0.0000 O 0 0 0 0 0 0 0 0 0 1.7138 1.1172 0.0000 C 0 0 3 0 0 0 0 0 0 3.1103 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9103 -3.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5276 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8241 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 3.1310 1.5655 0.0000 C 0 0 3 0 0 0 0 0 0 1.7207 2.6897 0.0000 C 0 0 0 0 0 0 0 0 0 3.9552 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8379 -2.5862 0.0000 C 0 0 1 0 0 0 0 0 0 3.7724 2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 -6.1793 -3.3310 0.0000 O 0 0 0 0 0 0 0 0 0 5.2517 3.0655 0.0000 C 0 0 0 0 0 0 0 0 0 2.9103 4.1517 0.0000 O 0 0 0 0 0 0 0 0 0 6.0966 1.8379 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 2 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