KEGG:C04518 17alpha,20alpha-Dihydroxypregn-4-en-3-one ISISHOST03240423102D 1 1.00000 0.00000 3906 27 30 0 1 0 999 V2000 0.2138 -0.5931 0.0000 C 0 0 1 0 0 0 0 0 0 0.8793 -0.2034 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4483 -0.2103 0.0000 C 0 0 1 0 0 0 0 0 0 0.2034 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0.8828 0.5621 0.0000 C 0 0 1 0 0 0 0 0 0 2.2103 -0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1035 -0.5966 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4552 0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4414 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 1.5483 0.9483 0.0000 C 0 0 2 0 0 0 0 0 0 0.2103 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0.8000 1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 2.2138 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1035 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7621 -0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1483 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 1.5517 1.6965 0.0000 C 0 0 2 0 0 0 0 0 0 2.2966 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7621 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4138 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0.9034 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 2.2034 2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4138 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0621 -1.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0.2138 0.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0.8793 -0.9517 0.0000 H 0 0 0 0 0 0 0 0 0 -0.4483 -0.9586 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 5 10 1 0 0 0 5 11 1 0 0 0 5 12 1 1 0 0 6 13 1 0 0 0 7 14 1 0 0 0 7 15 1 0 0 0 7 16 1 1 0 0 10 17 1 1 0 0 10 18 1 6 0 0 14 19 2 0 0 0 15 20 1 0 0 0 17 21 1 0 0 0 17 22 1 6 0 0 19 23 1 0 0 0 23 24 2 0 0 0 8 11 1 0 0 0 9 14 1 0 0 0 10 13 1 0 0 0 20 23 1 0 0 0 1 25 1 1 0 0 2 26 1 6 0 0 3 27 1 6 0 0 M END