@MOLECULE 3-methoxyestra-1,3,5(10)-trien-17-beta-ol 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1397 -1.2549 0.5395 O.3 1 UNL1111111111 -0.5575 2 O 5.4932 0.1903 0.4227 O.3 1 UNL1111111111 -0.3196 3 C -2.8651 -0.6347 0.1056 C.3 1 UNL1111111111 0.0548 4 C -2.2662 0.6948 -0.4385 C.3 1 UNL1111111111 -0.1500 5 C -0.8096 0.8236 -0.0071 C.3 1 UNL1111111111 -0.1135 6 C -0.0208 -0.3278 -0.6893 C.3 1 UNL1111111111 -0.1073 7 C -4.3500 -0.4532 -0.3128 C.3 1 UNL1111111111 0.1280 8 C -2.1271 -1.7908 -0.5749 C.3 1 UNL1111111111 -0.2928 9 C -3.2768 1.7633 0.0098 C.3 1 UNL1111111111 -0.2712 10 C -0.6158 -1.6967 -0.2936 C.3 1 UNL1111111111 -0.2715 11 C -4.6476 1.0566 -0.1096 C.3 1 UNL1111111111 -0.3357 12 C -0.1920 2.1579 -0.4320 C.3 1 UNL1111111111 -0.2787 13 C -2.7963 -0.7827 1.6280 C.3 1 UNL1111111111 -0.4413 14 C 1.4472 -0.2202 -0.3699 C.ar 1 UNL1111111111 -0.0958 15 C 1.2127 2.2631 0.1682 C.3 1 UNL1111111111 -0.2825 16 C 2.0178 1.0078 0.0058 C.ar 1 UNL1111111111 0.0732 17 C 2.2739 -1.3357 -0.5049 C.ar 1 UNL1111111111 -0.0980 18 C 3.3835 1.0956 0.2642 C.ar 1 UNL1111111111 -0.2930 19 C 3.6425 -1.2698 -0.2513 C.ar 1 UNL1111111111 -0.3082 20 C 4.1834 -0.0469 0.1365 C.ar 1 UNL1111111111 0.2528 21 C 6.3864 -0.9086 0.3178 C.3 1 UNL1111111111 -0.2018 22 H -2.2918 0.6642 -1.5587 H 1 UNL1111111111 0.1368 23 H -0.7291 0.7223 1.1000 H 1 UNL1111111111 0.1507 24 H -0.1275 -0.2138 -1.8001 H 1 UNL1111111111 0.1445 25 H -4.5349 -0.7804 -1.3542 H 1 UNL1111111111 0.1083 26 H -2.3095 -1.7813 -1.6643 H 1 UNL1111111111 0.1336 27 H -2.5188 -2.7592 -0.2111 H 1 UNL1111111111 0.1478 28 H -3.2267 2.6668 -0.6145 H 1 UNL1111111111 0.1329 29 H -3.0828 2.0863 1.0453 H 1 UNL1111111111 0.1423 30 H -0.4183 -1.8876 0.7782 H 1 UNL1111111111 0.1475 31 H -0.1032 -2.5054 -0.8473 H 1 UNL1111111111 0.1338 32 H -5.2458 1.2041 0.8042 H 1 UNL1111111111 0.1516 33 H -5.2352 1.4633 -0.9435 H 1 UNL1111111111 0.1344 34 H -0.8177 3.0025 -0.0931 H 1 UNL1111111111 0.1379 35 H -0.1494 2.2329 -1.5342 H 1 UNL1111111111 0.1414 36 H -3.2998 -1.7073 1.9441 H 1 UNL1111111111 0.1606 37 H -1.7675 -0.8199 1.9978 H 1 UNL1111111111 0.1431 38 H -3.3083 0.0416 2.1358 H 1 UNL1111111111 0.1471 39 H 1.1386 2.5001 1.2533 H 1 UNL1111111111 0.1564 40 H 1.7485 3.1219 -0.2871 H 1 UNL1111111111 0.1517 41 H -6.0869 -1.1302 0.3469 H 1 UNL1111111111 0.3087 42 H 1.8529 -2.2911 -0.8202 H 1 UNL1111111111 0.1500 43 H 3.8416 2.0345 0.5626 H 1 UNL1111111111 0.1713 44 H 4.2558 -2.1556 -0.3599 H 1 UNL1111111111 0.1603 45 H 6.1194 -1.6985 1.0265 H 1 UNL1111111111 0.1333 46 H 7.3474 -0.4538 0.5937 H 1 UNL1111111111 0.1506 47 H 6.4228 -1.2868 -0.7084 H 1 UNL1111111111 0.1330 @BOND 1 1 7 1 2 1 41 1 3 2 20 1 4 2 21 1 5 3 4 1 6 3 7 1 7 3 8 1 8 3 13 1 9 4 5 1 10 4 9 1 11 4 22 1 12 5 6 1 13 5 12 1 14 5 23 1 15 6 10 1 16 6 14 1 17 6 24 1 18 7 11 1 19 7 25 1 20 8 10 1 21 8 26 1 22 8 27 1 23 9 11 1 24 9 28 1 25 9 29 1 26 10 30 1 27 10 31 1 28 11 32 1 29 11 33 1 30 12 15 1 31 12 34 1 32 12 35 1 33 13 36 1 34 13 37 1 35 13 38 1 36 14 16 ar 37 14 17 ar 38 15 16 1 39 15 39 1 40 15 40 1 41 16 18 ar 42 17 19 ar 43 17 42 1 44 18 20 ar 45 18 43 1 46 19 20 ar 47 19 44 1 48 21 45 1 49 21 46 1 50 21 47 1