KEGG:C05477 21-Hydroxy-5beta-pregnane-3,11,20-trione ISISHOST03240423122D 1 1.00000 0.00000 4648 28 31 0 1 0 999 V2000 -0.4552 -0.2897 0.0000 C 0 0 1 0 0 0 0 0 0 0.2448 -0.6931 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1483 -0.6966 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4621 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0.9448 -0.2793 0.0000 C 0 0 1 0 0 0 0 0 0 0.2483 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1483 -1.4966 0.0000 C 0 0 3 0 0 0 0 0 0 -1.8379 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1552 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0.2379 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1724 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0.9483 0.5276 0.0000 C 0 0 2 0 0 0 0 0 0 2.3517 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4517 -1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8379 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5241 -0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 1.6483 0.9310 0.0000 C 0 0 3 0 0 0 0 0 0 0.9448 1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 2.3552 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5241 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 1.6517 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2103 -1.8862 0.0000 O 0 0 0 0 0 0 0 0 0 2.3414 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0.9690 2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 3.0483 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4586 -1.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0.2586 0.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0.9448 -1.0690 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 4 11 2 0 0 0 5 12 1 0 0 0 5 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 8 16 1 0 0 0 12 17 1 0 0 0 12 18 1 1 0 0 13 19 1 0 0 0 15 20 1 0 0 0 17 21 1 0 0 0 20 22 2 0 0 0 21 23 1 0 0 0 21 24 2 0 0 0 23 25 1 0 0 0 7 14 1 0 0 0 10 12 1 0 0 0 16 20 1 0 0 0 17 19 1 0 0 0 1 26 1 6 0 0 2 27 1 1 0 0 5 28 1 6 0 0 M END