KEGG:C04108 20-Hydroxy-3-oxopregn-4-en-21-al ISISHOST03240423092D 1 1.00000 0.00000 3557 28 31 0 1 0 999 V2000 0.9345 -0.3034 0.0000 C 0 0 1 0 0 0 0 0 0 0.2690 -0.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0.9379 0.4655 0.0000 C 0 0 1 0 0 0 0 0 0 2.2828 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3931 -0.3103 0.0000 C 0 0 1 0 0 0 0 0 0 0.2759 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 1.6035 0.8517 0.0000 C 0 0 2 0 0 0 0 0 0 0.2655 0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0.9138 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 2.2690 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0483 -0.6966 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4000 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3862 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 1.5897 1.6517 0.0000 C 0 0 3 0 0 0 0 0 0 -1.0483 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7069 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0690 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.9345 2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 2.2655 1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7069 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3552 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0.9379 2.9414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3552 -1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0069 -1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0.9345 -1.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0.2655 0.0621 0.0000 H 0 0 0 0 0 0 0 0 0 -0.3931 -1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 2.3517 0.8517 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 0 0 0 11 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 14 18 1 0 0 0 14 19 1 0 0 0 15 20 2 0 0 0 16 21 1 0 0 0 18 22 2 0 0 0 20 23 1 0 0 0 23 24 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 15 1 0 0 0 21 23 1 0 0 0 1 25 1 6 0 0 2 26 1 1 0 0 5 27 1 6 0 0 7 28 1 6 0 0 M END