@MOLECULE (17beta)-4-methoxyestra-1,3,5(10)-triene-3,17-diol 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4719 0.4695 0.6364 O.3 1 UNL1111111111 -0.5581 2 O 3.9197 1.5449 0.3572 O.3 1 UNL1111111111 -0.3080 3 O 5.2996 -0.9466 0.0118 O.3 1 UNL1111111111 -0.4800 4 C -3.1882 -0.4290 0.5139 C.3 1 UNL1111111111 0.0142 5 C -2.4025 0.8268 0.0544 C.3 1 UNL1111111111 -0.1361 6 C -0.8882 0.6803 0.2419 C.3 1 UNL1111111111 -0.1137 7 C -0.3404 -0.6027 -0.4155 C.3 1 UNL1111111111 -0.1102 8 C -4.5739 -0.2452 -0.1780 C.3 1 UNL1111111111 0.1379 9 C -2.5572 -1.7280 -0.0214 C.3 1 UNL1111111111 -0.2881 10 C -2.8639 1.0683 -1.3982 C.3 1 UNL1111111111 -0.2785 11 C -1.0491 -1.8037 0.2376 C.3 1 UNL1111111111 -0.2689 12 C -4.3042 0.5341 -1.4821 C.3 1 UNL1111111111 -0.3392 13 C -0.1328 1.8939 -0.3120 C.3 1 UNL1111111111 -0.2794 14 C -3.3313 -0.4908 2.0309 C.3 1 UNL1111111111 -0.4519 15 C 1.1593 -0.6801 -0.2942 C.ar 1 UNL1111111111 -0.0250 16 C 1.3252 1.8232 0.1499 C.3 1 UNL1111111111 -0.2613 17 C 1.9214 0.4634 -0.0353 C.ar 1 UNL1111111111 -0.0442 18 C 1.8006 -1.9061 -0.4939 C.ar 1 UNL1111111111 -0.1695 19 C 3.3210 0.3569 0.0732 C.ar 1 UNL1111111111 0.1296 20 C 3.1827 -2.0187 -0.3963 C.ar 1 UNL1111111111 -0.2448 21 C 3.9398 -0.8868 -0.1046 C.ar 1 UNL1111111111 0.1493 22 C 5.3385 1.5646 0.4440 C.3 1 UNL1111111111 -0.1905 23 H -2.7345 1.6957 0.6731 H 1 UNL1111111111 0.1292 24 H -0.6920 0.6138 1.3433 H 1 UNL1111111111 0.1465 25 H -0.5865 -0.5893 -1.5087 H 1 UNL1111111111 0.1500 26 H -5.1145 -1.1989 -0.3322 H 1 UNL1111111111 0.1368 27 H -2.7410 -1.8098 -1.1109 H 1 UNL1111111111 0.1399 28 H -3.0597 -2.6001 0.4375 H 1 UNL1111111111 0.1385 29 H -2.2093 0.5396 -2.1118 H 1 UNL1111111111 0.1424 30 H -2.8071 2.1345 -1.6636 H 1 UNL1111111111 0.1346 31 H -0.8375 -1.8229 1.3227 H 1 UNL1111111111 0.1456 32 H -0.6588 -2.7576 -0.1624 H 1 UNL1111111111 0.1349 33 H -5.0368 1.3519 -1.5925 H 1 UNL1111111111 0.1536 34 H -4.4412 -0.1107 -2.3634 H 1 UNL1111111111 0.1432 35 H -0.5968 2.8357 0.0308 H 1 UNL1111111111 0.1377 36 H -0.1842 1.9110 -1.4163 H 1 UNL1111111111 0.1431 37 H -4.0313 -1.2817 2.3290 H 1 UNL1111111111 0.1537 38 H -2.3691 -0.6921 2.5153 H 1 UNL1111111111 0.1483 39 H -3.7219 0.4438 2.4482 H 1 UNL1111111111 0.1448 40 H 1.4040 2.1099 1.2219 H 1 UNL1111111111 0.1572 41 H 1.9289 2.5825 -0.3952 H 1 UNL1111111111 0.1603 42 H -5.1114 1.3443 0.8773 H 1 UNL1111111111 0.3133 43 H 1.2166 -2.7934 -0.7336 H 1 UNL1111111111 0.1562 44 H 3.6659 -2.9794 -0.5456 H 1 UNL1111111111 0.1567 45 H 5.6286 -1.8671 -0.1268 H 1 UNL1111111111 0.3237 46 H 5.5409 2.6240 0.6453 H 1 UNL1111111111 0.1409 47 H 5.7955 1.2528 -0.5009 H 1 UNL1111111111 0.1422 48 H 5.6843 0.9370 1.2726 H 1 UNL1111111111 0.1432 @BOND 1 1 8 1 2 1 42 1 3 2 19 1 4 2 22 1 5 3 21 1 6 3 45 1 7 4 5 1 8 4 8 1 9 4 9 1 10 4 14 1 11 5 6 1 12 5 10 1 13 5 23 1 14 6 7 1 15 6 13 1 16 6 24 1 17 7 11 1 18 7 15 1 19 7 25 1 20 8 12 1 21 8 26 1 22 9 11 1 23 9 27 1 24 9 28 1 25 10 12 1 26 10 29 1 27 10 30 1 28 11 31 1 29 11 32 1 30 12 33 1 31 12 34 1 32 13 16 1 33 13 35 1 34 13 36 1 35 14 37 1 36 14 38 1 37 14 39 1 38 15 17 ar 39 15 18 ar 40 16 17 1 41 16 40 1 42 16 41 1 43 17 19 ar 44 18 20 ar 45 18 43 1 46 19 21 ar 47 20 21 ar 48 20 44 1 49 22 46 1 50 22 47 1 51 22 48 1