KEGG:C00468 Estrone ISISHOST03240423022D 1 1.00000 0.00000 450 23 26 0 1 0 999 V2000 1.0897 0.0586 0.0000 C 0 0 1 0 0 0 0 0 0 0.4276 -0.3310 0.0000 C 0 0 1 0 0 0 0 0 0 1.0931 0.8276 0.0000 C 0 0 2 0 0 0 0 0 0 2.4207 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2379 0.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0.4138 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0.4207 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 1.7621 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 1.0414 1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 2.4241 0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8931 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2448 0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2310 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 1.7621 1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8931 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5517 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5517 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2000 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2000 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8517 -1.4655 0.0000 O 0 0 0 0 0 0 0 0 0 1.0897 -0.6897 0.0000 H 0 0 0 0 0 0 0 0 0 0.4241 0.4241 0.0000 H 0 0 0 0 0 0 0 0 0 -0.2379 -0.6966 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 8 14 2 0 0 0 11 15 2 0 0 0 11 16 1 0 0 0 15 17 1 0 0 0 16 18 2 0 0 0 17 19 2 0 0 0 19 20 1 0 0 0 7 12 1 0 0 0 8 10 1 0 0 0 13 15 1 0 0 0 18 19 1 0 0 0 1 21 1 6 0 0 2 22 1 1 0 0 5 23 1 6 0 0 M END