KEGG:C07534 Ethynyl estradiol ISISHOST03240423172D 1 1.00000 0.00000 6580 25 28 0 0 0 999 V2000 0.8828 -0.0862 0.0000 C 0 0 2 0 0 0 0 0 0 0.8759 0.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0.2000 -0.4966 0.0000 C 0 0 1 0 0 0 0 0 0 2.2517 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 1.5552 1.1035 0.0000 C 0 0 1 0 0 0 0 0 0 0.1828 1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0.8897 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4862 -0.1069 0.0000 C 0 0 2 0 0 0 0 0 0 0.2172 -1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 2.2414 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 2.1759 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 1.5448 1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4966 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1690 -0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4655 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 2.8000 1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1586 -1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8724 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8379 -1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5586 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5414 -1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2241 -1.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0.8897 -0.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0.1862 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 -0.4828 -0.9931 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 2 7 1 1 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 6 0 0 5 12 1 0 0 0 6 13 1 0 0 0 8 14 1 0 0 0 9 15 1 0 0 0 11 16 3 0 0 0 14 17 2 0 0 0 14 18 1 0 0 0 17 19 1 0 0 0 18 20 2 0 0 0 19 21 2 0 0 0 21 22 1 0 0 0 5 10 1 0 0 0 8 13 1 0 0 0 15 17 1 0 0 0 20 21 1 0 0 0 1 23 1 6 0 0 3 24 1 1 0 0 8 25 1 6 0 0 M END