@MOLECULE 3-hydroxy-1-methylestra-1,3,5(10)-triene-11,17-dione 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9168 1.1764 0.3557 O.2 1 UNL1111111111 -0.4406 2 O 0.0954 2.1011 -1.0306 O.2 1 UNL1111111111 -0.4382 3 O 5.7068 -0.3585 -0.3854 O.3 1 UNL1111111111 -0.4743 4 C -2.0685 -0.8280 0.4404 C.3 1 UNL1111111111 -0.1499 5 C -2.6959 0.4033 -0.2796 C.3 1 UNL1111111111 -0.0299 6 C -0.6353 -1.0254 -0.0452 C.3 1 UNL1111111111 -0.1037 7 C 0.1667 0.2093 0.4647 C.3 1 UNL1111111111 -0.2125 8 C -3.1112 -1.9405 0.2386 C.3 1 UNL1111111111 -0.2652 9 C -1.9306 1.6560 0.1316 C.3 1 UNL1111111111 -0.3959 10 C 0.0234 -2.2989 0.4771 C.3 1 UNL1111111111 -0.2741 11 C -4.1490 0.2760 0.1750 C.2 1 UNL1111111111 0.4670 12 C -4.4598 -1.1983 0.3713 C.3 1 UNL1111111111 -0.3881 13 C -0.4686 1.4132 -0.2247 C.2 1 UNL1111111111 0.4748 14 C -2.7307 0.3011 -1.8097 C.3 1 UNL1111111111 -0.4547 15 C 1.6460 0.0732 0.2694 C.ar 1 UNL1111111111 -0.1325 16 C 1.3910 -2.4213 -0.2017 C.3 1 UNL1111111111 -0.2862 17 C 2.2059 -1.1664 -0.0755 C.ar 1 UNL1111111111 0.0947 18 C 2.4965 1.1666 0.5083 C.ar 1 UNL1111111111 0.1400 19 C 3.5768 -1.2929 -0.2999 C.ar 1 UNL1111111111 -0.3159 20 C 3.8711 1.0554 0.2834 C.ar 1 UNL1111111111 -0.3650 21 C 4.3842 -0.1689 -0.1374 C.ar 1 UNL1111111111 0.3192 22 C 2.0004 2.4746 1.0279 C.3 1 UNL1111111111 -0.4630 23 H -2.0327 -0.6158 1.5419 H 1 UNL1111111111 0.1454 24 H -0.6075 -1.0496 -1.1630 H 1 UNL1111111111 0.1567 25 H -0.0067 0.3104 1.5710 H 1 UNL1111111111 0.1650 26 H -3.0083 -2.7421 0.9849 H 1 UNL1111111111 0.1419 27 H -3.0078 -2.4215 -0.7472 H 1 UNL1111111111 0.1457 28 H -2.0481 1.8791 1.2065 H 1 UNL1111111111 0.1675 29 H -2.3178 2.5526 -0.3955 H 1 UNL1111111111 0.1874 30 H -0.5989 -3.1850 0.2586 H 1 UNL1111111111 0.1397 31 H 0.1358 -2.2668 1.5766 H 1 UNL1111111111 0.1461 32 H -4.9262 -1.3640 1.3583 H 1 UNL1111111111 0.1702 33 H -5.2021 -1.5412 -0.3687 H 1 UNL1111111111 0.1705 34 H -3.1189 -0.6624 -2.1555 H 1 UNL1111111111 0.1509 35 H -3.3647 1.0901 -2.2385 H 1 UNL1111111111 0.1628 36 H -1.7334 0.4306 -2.2525 H 1 UNL1111111111 0.1672 37 H 1.2612 -2.6622 -1.2795 H 1 UNL1111111111 0.1587 38 H 1.9454 -3.2819 0.2281 H 1 UNL1111111111 0.1551 39 H 4.0223 -2.2388 -0.5926 H 1 UNL1111111111 0.1768 40 H 4.5227 1.9078 0.4342 H 1 UNL1111111111 0.1651 41 H 2.7563 2.9918 1.6355 H 1 UNL1111111111 0.1566 42 H 1.7496 3.1498 0.1885 H 1 UNL1111111111 0.1888 43 H 1.1042 2.3803 1.6517 H 1 UNL1111111111 0.1499 44 H 6.2291 0.4710 -0.2690 H 1 UNL1111111111 0.3262 @BOND 1 1 11 2 2 2 13 2 3 3 21 1 4 3 44 1 5 4 5 1 6 4 6 1 7 4 8 1 8 4 23 1 9 5 9 1 10 5 11 1 11 5 14 1 12 6 7 1 13 6 10 1 14 6 24 1 15 7 13 1 16 7 15 1 17 7 25 1 18 8 12 1 19 8 26 1 20 8 27 1 21 9 13 1 22 9 28 1 23 9 29 1 24 10 16 1 25 10 30 1 26 10 31 1 27 11 12 1 28 12 32 1 29 12 33 1 30 14 34 1 31 14 35 1 32 14 36 1 33 15 17 ar 34 15 18 ar 35 16 17 1 36 16 37 1 37 16 38 1 38 17 19 ar 39 18 20 ar 40 18 22 1 41 19 21 ar 42 19 39 1 43 20 21 ar 44 20 40 1 45 22 41 1 46 22 42 1 47 22 43 1