KEGG:C05300 16alpha-Hydroxyestrone ISISHOST03240423122D 1 1.00000 0.00000 4493 24 27 0 1 0 999 V2000 1.9862 0.1966 0.0000 C 0 0 2 0 0 0 0 0 0 0.5931 -0.6138 0.0000 C 0 0 2 0 0 0 0 0 0 1.9862 1.7241 0.0000 C 0 0 1 0 0 0 0 0 0 3.4793 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7345 0.1793 0.0000 C 0 0 2 0 0 0 0 0 0 0.5931 -2.1862 0.0000 C 0 0 0 0 0 0 0 0 0 3.4793 2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0.5931 2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 2.3138 3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 0.9586 0.0000 C 0 0 2 0 0 0 0 0 0 -2.1276 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7345 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7345 -2.9690 0.0000 C 0 0 0 0 0 0 0 0 0 3.9931 3.7034 0.0000 O 0 0 0 0 0 0 0 0 0 6.0000 0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1276 -2.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4724 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4724 -2.9690 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8690 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8690 -2.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -6.2759 -2.9517 0.0000 O 0 0 0 0 0 0 0 0 0 2.0069 -1.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0.5931 0.9345 0.0000 H 0 0 0 0 0 0 0 0 0 -0.7345 -1.3966 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 7 14 2 0 0 0 10 15 1 6 0 0 11 16 2 0 0 0 11 17 1 0 0 0 16 18 1 0 0 0 17 19 2 0 0 0 18 20 2 0 0 0 20 21 1 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 19 20 1 0 0 0 1 22 1 1 0 0 2 23 1 6 0 0 5 24 1 1 0 0 M END