KEGG:C05471 11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione ISISHOST03240423122D 1 1.00000 0.00000 4642 30 33 0 1 0 999 V2000 1.5103 -0.4172 0.0000 C 0 0 1 0 0 0 0 0 0 0.1931 -1.1586 0.0000 C 0 0 1 0 0 0 0 0 0 1.5241 1.0655 0.0000 C 0 0 1 0 0 0 0 0 0 2.9207 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1000 -0.4172 0.0000 C 0 0 1 0 0 0 0 0 0 0.1931 -2.6655 0.0000 C 0 0 0 0 0 0 0 0 0 2.9414 1.5138 0.0000 C 0 0 2 0 0 0 0 0 0 0.1931 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 1.8345 2.5448 0.0000 C 0 0 0 0 0 0 0 0 0 3.7655 0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4103 -1.1586 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1000 1.0793 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1000 -3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 3.5793 2.8724 0.0000 C 0 0 0 0 0 0 0 0 0 4.4483 1.4207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4241 -2.6414 0.0000 C 0 0 2 0 0 0 0 0 0 -3.7034 -0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4103 0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4103 1.8379 0.0000 O 0 0 0 0 0 0 0 0 0 5.0621 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 2.7172 4.1000 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7172 -3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0138 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 5.9069 1.7828 0.0000 O 0 0 0 0 0 0 0 0 0 -5.0276 -2.6414 0.0000 C 0 0 0 0 0 0 0 0 0 -6.3690 -3.3862 0.0000 O 0 0 0 0 0 0 0 0 0 1.5241 -1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0.1931 0.3379 0.0000 H 0 0 0 0 0 0 0 0 0 -1.1000 -1.9241 0.0000 H 0 0 0 0 0 0 0 0 0 -2.4241 -4.1621 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 7 15 1 6 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 1 0 0 12 19 1 1 0 0 14 20 1 0 0 0 14 21 2 0 0 0 16 22 1 0 0 0 17 23 1 0 0 0 20 24 1 0 0 0 22 25 1 0 0 0 25 26 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 23 25 1 0 0 0 1 27 1 6 0 0 2 28 1 1 0 0 5 29 1 6 0 0 16 30 1 1 0 0 M END