KEGG:C03562 (S)-Pregn-4-en-3,20-dione ISISHOST03240423082D 1 1.00000 0.00000 3103 26 29 0 1 0 999 V2000 -0.3552 -0.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0.3103 -0.5483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0103 -0.5517 0.0000 C 0 0 2 0 0 0 0 0 0 -0.3621 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0.9759 -0.1586 0.0000 C 0 0 1 0 0 0 0 0 0 0.3138 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0103 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6690 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0172 0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0.3034 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0.9759 0.6069 0.0000 C 0 0 2 0 0 0 0 0 0 2.3034 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3483 -1.6931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6690 -1.6931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3172 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 1.6448 0.9931 0.0000 C 0 0 2 0 0 0 0 0 0 0.9724 1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 2.3069 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3172 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 1.6448 1.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9690 -1.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0.9966 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 2.2966 2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3552 -0.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0.3034 0.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0.9724 -0.9069 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 2 0 0 0 8 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 12 18 1 0 0 0 14 19 1 0 0 0 16 20 1 1 0 0 19 21 2 0 0 0 20 22 1 0 0 0 20 23 2 0 0 0 7 13 1 0 0 0 10 11 1 0 0 0 15 19 1 0 0 0 16 18 1 0 0 0 1 24 1 6 0 0 2 25 1 1 0 0 5 26 1 6 0 0 M END