KEGG:C08902 Hecogenin ISISHOST03240423212D 1 1.00000 0.00000 7942 37 42 0 0 0 999 V2000 0.0897 0.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0.7793 0.4586 0.0000 C 0 0 2 0 0 0 0 0 0 0.0793 -0.7207 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5966 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0.0862 0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 1.4690 0.0552 0.0000 C 0 0 2 0 0 0 0 0 0 0.7828 1.2552 0.0000 C 0 0 1 0 0 0 0 0 0 -0.6069 -1.1138 0.0000 C 0 0 1 0 0 0 0 0 0 1.4517 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2897 0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5931 1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 2.1552 0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 2.1552 1.2517 0.0000 C 0 0 2 0 0 0 0 0 0 0.2172 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2966 -0.7138 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6069 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 2.8414 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 2.1552 2.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9862 -1.1103 0.0000 C 0 0 2 0 0 0 0 0 0 -1.3035 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 3.5310 1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 2.8448 2.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9897 -1.9069 0.0000 C 0 0 1 0 0 0 0 0 0 -2.6724 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9931 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 3.5310 2.0483 0.0000 C 0 0 2 0 0 0 0 0 0 -2.6724 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3655 -1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 4.2207 2.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3655 -1.9069 0.0000 C 0 0 2 0 0 0 0 0 0 -4.0552 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0.7759 -0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0.0759 -1.5414 0.0000 H 0 0 0 0 0 0 0 0 0 2.1793 -0.3552 0.0000 H 0 0 0 0 0 0 0 0 0 -0.6138 -0.2862 0.0000 H 0 0 0 0 0 0 0 0 0 -1.3035 -1.5379 0.0000 H 0 0 0 0 0 0 0 0 0 -1.9966 -2.7276 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 4 10 1 0 0 0 4 11 2 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 6 0 0 8 15 1 0 0 0 8 16 1 0 0 0 13 17 1 0 0 0 13 18 1 6 0 0 15 19 1 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 18 22 1 0 0 0 19 23 1 0 0 0 19 24 1 0 0 0 19 25 1 1 0 0 21 26 1 0 0 0 23 27 1 0 0 0 24 28 1 0 0 0 26 29 1 6 0 0 27 30 1 0 0 0 30 31 1 1 0 0 6 9 1 0 0 0 10 15 1 0 0 0 12 13 1 0 0 0 20 23 1 0 0 0 22 26 1 0 0 0 28 30 1 0 0 0 2 32 1 6 0 0 3 33 1 6 0 0 6 34 1 6 0 0 8 35 1 1 0 0 15 36 1 6 0 0 23 37 1 6 0 0 M END