@MOLECULE (13alpha)-3-hydroxy-2-methoxyestra-1(10),2,4-trien-17-one 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.2681 1.4199 0.0954 O.2 1 UNL111111111 -0.4550 2 O -4.4020 1.6435 0.6355 O.3 1 UNL111111111 -0.3433 3 O -5.3134 -0.8055 -0.1632 O.3 1 UNL111111111 -0.4535 4 C 2.5780 -0.8941 -0.2063 C.3 1 UNL111111111 -0.1360 5 C 3.0952 0.5330 -0.5290 C.3 1 UNL111111111 -0.0362 6 C 1.0696 -1.0479 -0.4244 C.3 1 UNL111111111 -0.1138 7 C 0.2590 0.0576 0.2818 C.3 1 UNL111111111 -0.1078 8 C 2.1829 1.6444 0.0196 C.3 1 UNL111111111 -0.2747 9 C 3.0723 -1.1790 1.2308 C.3 1 UNL111111111 -0.2712 10 C 0.7072 1.4069 -0.3097 C.3 1 UNL111111111 -0.2693 11 C 0.5703 -2.4190 0.0456 C.3 1 UNL111111111 -0.2796 12 C 4.3973 0.6155 0.2760 C.2 1 UNL111111111 0.4626 13 C 4.4211 -0.4541 1.3443 C.3 1 UNL111111111 -0.3910 14 C 3.3674 0.7162 -2.0154 C.3 1 UNL111111111 -0.4503 15 C -1.2219 -0.1756 0.1461 C.ar 1 UNL111111111 -0.0588 16 C -0.8623 -2.6198 -0.4567 C.3 1 UNL111111111 -0.2760 17 C -1.7392 -1.4345 -0.1852 C.ar 1 UNL111111111 0.0340 18 C -2.1005 0.8796 0.4171 C.ar 1 UNL111111111 -0.1905 19 C -3.1203 -1.6327 -0.2867 C.ar 1 UNL111111111 -0.2542 20 C -3.4692 0.6890 0.3094 C.ar 1 UNL111111111 0.0555 21 C -3.9826 -0.5691 -0.0480 C.ar 1 UNL111111111 0.2221 22 C -4.2620 2.8557 -0.0992 C.3 1 UNL111111111 -0.1934 23 H 3.0904 -1.6149 -0.8914 H 1 UNL111111111 0.1391 24 H 0.8813 -0.9614 -1.5263 H 1 UNL111111111 0.1456 25 H 0.4985 0.0459 1.3770 H 1 UNL111111111 0.1508 26 H 2.5105 2.6227 -0.3839 H 1 UNL111111111 0.1500 27 H 2.3016 1.7215 1.1196 H 1 UNL111111111 0.1421 28 H 3.1671 -2.2592 1.4166 H 1 UNL111111111 0.1409 29 H 2.3545 -0.7975 1.9772 H 1 UNL111111111 0.1463 30 H 0.1034 2.2393 0.0955 H 1 UNL111111111 0.1374 31 H 0.5407 1.4180 -1.4025 H 1 UNL111111111 0.1454 32 H 0.6020 -2.4857 1.1489 H 1 UNL111111111 0.1450 33 H 1.2249 -3.2257 -0.3290 H 1 UNL111111111 0.1359 34 H 5.2736 -1.1381 1.1781 H 1 UNL111111111 0.1716 35 H 4.5852 -0.0154 2.3433 H 1 UNL111111111 0.1710 36 H 2.4380 0.6977 -2.5962 H 1 UNL111111111 0.1515 37 H 3.8647 1.6775 -2.2102 H 1 UNL111111111 0.1635 38 H 4.0243 -0.0660 -2.4127 H 1 UNL111111111 0.1472 39 H -1.2944 -3.5312 0.0075 H 1 UNL111111111 0.1527 40 H -0.8545 -2.8187 -1.5506 H 1 UNL111111111 0.1537 41 H -1.7196 1.8511 0.7272 H 1 UNL111111111 0.1653 42 H -3.5321 -2.6048 -0.5492 H 1 UNL111111111 0.1775 43 H -5.8295 0.0154 0.0606 H 1 UNL111111111 0.3381 44 H -4.2885 2.6665 -1.1763 H 1 UNL111111111 0.1319 45 H -3.3415 3.3743 0.1841 H 1 UNL111111111 0.1308 46 H -5.1407 3.4305 0.2183 H 1 UNL111111111 0.1473 @BOND 1 1 12 2 2 2 20 1 3 2 22 1 4 3 21 1 5 3 43 1 6 4 5 1 7 4 6 1 8 4 9 1 9 4 23 1 10 5 8 1 11 5 12 1 12 5 14 1 13 6 7 1 14 6 11 1 15 6 24 1 16 7 10 1 17 7 15 1 18 7 25 1 19 8 10 1 20 8 26 1 21 8 27 1 22 9 13 1 23 9 28 1 24 9 29 1 25 10 30 1 26 10 31 1 27 11 16 1 28 11 32 1 29 11 33 1 30 12 13 1 31 13 34 1 32 13 35 1 33 14 36 1 34 14 37 1 35 14 38 1 36 15 17 ar 37 15 18 ar 38 16 17 1 39 16 39 1 40 16 40 1 41 17 19 ar 42 18 20 ar 43 18 41 1 44 19 21 ar 45 19 42 1 46 20 21 ar 47 22 44 1 48 22 45 1 49 22 46 1