KEGG:C02821 Cortisol 21-acetate ISISHOST03240423072D 1 1.00000 0.00000 2500 32 35 0 1 0 999 V2000 0.4034 0.2483 0.0000 C 0 0 1 0 0 0 0 0 0 0.4000 -0.5207 0.0000 C 0 0 2 0 0 0 0 0 0 1.0690 0.6310 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2690 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0.3966 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2655 -0.9103 0.0000 C 0 0 1 0 0 0 0 0 0 1.7138 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 1.7172 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 1.0724 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 1.8138 0.6310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9138 0.2793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.9034 -0.4276 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2621 -1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 1.8000 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0.4241 1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5862 0.6103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5862 -0.9138 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9241 -2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 2.5448 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5862 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2448 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5724 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 3.2276 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2448 -2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8931 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 3.8690 1.3931 0.0000 C 0 0 0 0 0 0 0 0 0 3.2414 2.4448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8931 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5448 -2.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0.3828 -1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 -0.2724 -0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 -0.9103 -1.1966 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 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 3 10 1 6 0 0 4 11 1 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 9 14 1 0 0 0 9 15 2 0 0 0 11 16 1 1 0 0 12 17 1 0 0 0 13 18 1 0 0 0 14 19 1 0 0 0 17 20 1 0 0 0 17 21 1 0 0 0 17 22 1 1 0 0 19 23 1 0 0 0 20 24 2 0 0 0 21 25 1 0 0 0 23 26 1 0 0 0 23 27 2 0 0 0 24 28 1 0 0 0 28 29 2 0 0 0 7 8 1 0 0 0 11 12 1 0 0 0 18 20 1 0 0 0 25 28 1 0 0 0 2 30 1 6 0 0 6 31 1 1 0 0 12 32 1 6 0 0 M END