BetaEstradiol SKCATALYST01019200003D 44 47 0 0 1 3.5946 9.2770 1.4670 C 0 0 0 0 0 3.4334 8.7286 0.0032 C 0 0 3 0 0 3.4403 7.1919 0.0089 C 0 0 3 0 0 2.1729 6.6222 0.6549 C 0 0 3 0 0 1.0435 7.1179 -0.2826 C 0 0 3 0 0 0.8859 8.6632 -0.0804 C 0 0 0 0 0 2.1425 9.3514 -0.6123 C 0 0 0 0 0 2.1456 5.1145 0.8654 C 0 0 0 0 0 0.7606 4.6630 1.3423 C 0 0 0 0 0 -0.3176 5.1060 0.4365 C 0 0 0 0 0 -0.1978 6.3191 -0.3142 C 0 0 0 0 0 -1.4772 4.2963 0.3049 C 0 0 0 0 0 -2.5036 4.6978 -0.6021 C 0 0 0 0 0 -2.3979 5.9015 -1.2952 C 0 0 0 0 0 -1.2517 6.7130 -1.1388 C 0 0 0 0 0 -3.5986 3.0902 -0.2920 H 0 0 0 0 0 -3.5741 3.9233 -0.7686 O 0 0 0 0 0 4.8206 6.8367 0.5722 C 0 0 0 0 0 5.7019 7.8729 -0.1885 C 0 0 0 0 0 4.7688 8.9629 -0.8064 C 0 0 3 0 0 4.6268 8.7704 -1.8490 H 0 0 0 0 0 4.8656 6.9798 1.6312 H 0 0 0 0 0 5.3215 10.2677 -0.6373 O 0 0 0 0 0 2.7847 8.9253 2.0702 H 0 0 0 0 0 4.5207 8.9322 1.8773 H 0 0 0 0 0 3.5887 10.3468 1.4500 H 0 0 0 0 0 3.3563 6.7113 -0.9430 H 0 0 0 0 0 2.0817 6.9617 1.6651 H 0 0 0 0 0 1.3452 6.9399 -1.2934 H 0 0 0 0 0 0.7572 8.8860 0.9577 H 0 0 0 0 0 0.0293 9.0117 -0.6170 H 0 0 0 0 0 2.1027 10.3851 -0.3388 H 0 0 0 0 0 2.1757 9.2422 -1.6758 H 0 0 0 0 0 2.8682 4.8563 1.6103 H 0 0 0 0 0 2.3763 4.6260 -0.0575 H 0 0 0 0 0 0.5849 5.1058 2.3000 H 0 0 0 0 0 0.7469 3.5947 1.3961 H 0 0 0 0 0 -1.5796 3.3980 0.8772 H 0 0 0 0 0 -3.1872 6.2123 -1.9480 H 0 0 0 0 0 -1.1910 7.6448 -1.6611 H 0 0 0 0 0 6.3887 8.3303 0.4926 H 0 0 0 0 0 6.2554 7.3834 -0.9626 H 0 0 0 0 0 4.7202 10.9200 -1.0046 H 0 0 0 0 0 5.1105 5.8157 0.4386 H 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 2 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 5 1 0 0 0 10 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 11 1 0 0 0 16 17 1 0 0 0 17 13 1 0 0 0 3 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 2 1 0 0 0 20 21 1 0 0 0 18 22 1 0 0 0 20 23 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 3 27 1 0 0 0 4 28 1 0 0 0 5 29 1 0 0 0 6 30 1 0 0 0 6 31 1 0 0 0 7 32 1 0 0 0 7 33 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 9 36 1 0 0 0 9 37 1 0 0 0 12 38 1 0 0 0 14 39 1 0 0 0 15 40 1 0 0 0 19 41 1 0 0 0 19 42 1 0 0 0 23 43 1 0 0 0 18 44 1 0 0 0 M END $$$$