@MOLECULE 1-(6-{[(17alpha)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino}hexyl)-1h-pyrrole-2,5-dione 74 78 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3516 -3.7922 0.3158 O.3 1 UNL1111111111 -0.3187 2 O 1.4702 -2.4313 -1.8070 O.2 1 UNL1111111111 -0.4291 3 O 3.0912 -2.1505 2.4623 O.2 1 UNL1111111111 -0.4381 4 N 2.1341 2.4291 -0.1342 N.3 1 UNL1111111111 -0.5664 5 N 2.6112 -2.4993 0.2176 N.am 1 UNL1111111111 -0.5768 6 C -0.3161 3.0182 -0.2297 C.3 1 UNL1111111111 0.0510 7 C -1.4709 2.7323 0.7730 C.3 1 UNL1111111111 -0.1288 8 C -2.8322 2.5938 0.0732 C.3 1 UNL1111111111 -0.1139 9 C 0.9505 2.8001 0.6676 C.3 1 UNL1111111111 0.0275 10 C -2.8673 1.6391 -1.1391 C.3 1 UNL1111111111 -0.1052 11 C -0.3605 2.0130 -1.3901 C.3 1 UNL1111111111 -0.2658 12 C -0.9618 1.5278 1.5880 C.3 1 UNL1111111111 -0.2747 13 C 0.5707 1.6546 1.6374 C.3 1 UNL1111111111 -0.2921 14 C -1.7183 2.0111 -2.0937 C.3 1 UNL1111111111 -0.2765 15 C -3.9758 2.2405 1.0349 C.3 1 UNL1111111111 -0.2774 16 C -0.3483 4.4591 -0.7420 C.3 1 UNL1111111111 -0.4749 17 C -2.9261 0.1883 -0.7551 C.ar 1 UNL1111111111 -0.0795 18 C -3.9835 0.7779 1.4889 C.3 1 UNL1111111111 -0.2839 19 C -3.4998 -0.2026 0.4658 C.ar 1 UNL1111111111 0.0680 20 C 3.3804 2.4527 0.6669 C.3 1 UNL1111111111 -0.1050 21 C -2.5011 -0.7956 -1.6479 C.ar 1 UNL1111111111 -0.1006 22 C -3.6159 -1.5542 0.7842 C.ar 1 UNL1111111111 -0.3021 23 C 4.6095 2.2822 -0.2456 C.3 1 UNL1111111111 -0.2833 24 C -2.6190 -2.1526 -1.3531 C.ar 1 UNL1111111111 -0.3131 25 C -3.1767 -2.5185 -0.1307 C.ar 1 UNL1111111111 0.2470 26 C 4.5414 1.0108 -1.1016 C.3 1 UNL1111111111 -0.2599 27 C 4.6790 -0.2586 -0.2526 C.3 1 UNL1111111111 -0.2643 28 C 4.4623 -1.5083 -1.1137 C.3 1 UNL1111111111 -0.3081 29 C -2.8965 -4.8386 -0.5308 C.3 1 UNL1111111111 -0.2022 30 C 3.9700 -2.7038 -0.2784 C.3 1 UNL1111111111 -0.0453 31 C 1.4873 -2.2599 -0.6221 C.2 1 UNL1111111111 0.5788 32 C 2.3074 -2.1300 1.5559 C.2 1 UNL1111111111 0.5717 33 C 0.3783 -1.8140 0.3028 C.2 1 UNL1111111111 -0.1858 34 C 0.8439 -1.7548 1.5564 C.2 1 UNL1111111111 -0.1985 35 H -1.5539 3.6020 1.4709 H 1 UNL1111111111 0.1258 36 H -3.0581 3.6194 -0.3345 H 1 UNL1111111111 0.1299 37 H 1.1326 3.7331 1.2579 H 1 UNL1111111111 0.1065 38 H -3.8327 1.8424 -1.6867 H 1 UNL1111111111 0.1390 39 H 0.4415 2.2278 -2.1198 H 1 UNL1111111111 0.1382 40 H -0.1354 0.9979 -1.0014 H 1 UNL1111111111 0.1613 41 H -1.4010 1.5125 2.5957 H 1 UNL1111111111 0.1275 42 H -1.2486 0.5806 1.0963 H 1 UNL1111111111 0.1551 43 H 1.0537 0.7146 1.3161 H 1 UNL1111111111 0.1548 44 H 0.9309 1.8618 2.6547 H 1 UNL1111111111 0.1319 45 H -1.6901 1.3223 -2.9591 H 1 UNL1111111111 0.1377 46 H -1.9180 3.0102 -2.5271 H 1 UNL1111111111 0.1330 47 H -4.9389 2.4683 0.5346 H 1 UNL1111111111 0.1368 48 H -3.9353 2.9019 1.9212 H 1 UNL1111111111 0.1367 49 H -0.3167 5.1842 0.0780 H 1 UNL1111111111 0.1422 50 H 0.5000 4.6666 -1.4024 H 1 UNL1111111111 0.1432 51 H -1.2613 4.6585 -1.3147 H 1 UNL1111111111 0.1508 52 H 2.2193 3.0261 -0.9544 H 1 UNL1111111111 0.2560 53 H -3.3646 0.6692 2.4072 H 1 UNL1111111111 0.1558 54 H -5.0142 0.5047 1.8050 H 1 UNL1111111111 0.1512 55 H 3.4878 3.3849 1.2635 H 1 UNL1111111111 0.1066 56 H 3.3264 1.6120 1.3945 H 1 UNL1111111111 0.1440 57 H -2.0623 -0.5100 -2.6064 H 1 UNL1111111111 0.1594 58 H -4.0498 -1.8744 1.7272 H 1 UNL1111111111 0.1705 59 H 5.5223 2.2677 0.3795 H 1 UNL1111111111 0.1386 60 H 4.7089 3.1634 -0.9068 H 1 UNL1111111111 0.1319 61 H -2.2833 -2.8913 -2.0725 H 1 UNL1111111111 0.1686 62 H 5.3305 1.0362 -1.8747 H 1 UNL1111111111 0.1279 63 H 3.5738 0.9869 -1.6460 H 1 UNL1111111111 0.1580 64 H 5.6678 -0.2936 0.2378 H 1 UNL1111111111 0.1329 65 H 3.9388 -0.2289 0.5717 H 1 UNL1111111111 0.1486 66 H 5.3984 -1.7818 -1.6334 H 1 UNL1111111111 0.1416 67 H 3.7274 -1.2995 -1.9197 H 1 UNL1111111111 0.1648 68 H -3.4487 -4.8452 -1.4754 H 1 UNL1111111111 0.1334 69 H -1.8170 -4.7655 -0.6984 H 1 UNL1111111111 0.1382 70 H -3.1340 -5.7342 0.0583 H 1 UNL1111111111 0.1494 71 H 3.9783 -3.6302 -0.8996 H 1 UNL1111111111 0.1443 72 H 4.6456 -2.8805 0.5915 H 1 UNL1111111111 0.1582 73 H -0.6047 -1.5970 -0.0872 H 1 UNL1111111111 0.2045 74 H 0.3451 -1.4942 2.4729 H 1 UNL1111111111 0.1914 @BOND 1 1 25 1 2 1 29 1 3 2 31 2 4 3 32 2 5 4 9 1 6 4 20 1 7 4 52 1 8 5 30 1 9 5 31 am 10 5 32 am 11 6 7 1 12 6 9 1 13 6 11 1 14 6 16 1 15 7 8 1 16 7 12 1 17 7 35 1 18 8 10 1 19 8 15 1 20 8 36 1 21 9 13 1 22 9 37 1 23 10 14 1 24 10 17 1 25 10 38 1 26 11 14 1 27 11 39 1 28 11 40 1 29 12 13 1 30 12 41 1 31 12 42 1 32 13 43 1 33 13 44 1 34 14 45 1 35 14 46 1 36 15 18 1 37 15 47 1 38 15 48 1 39 16 49 1 40 16 50 1 41 16 51 1 42 17 19 ar 43 17 21 ar 44 18 19 1 45 18 53 1 46 18 54 1 47 19 22 ar 48 20 23 1 49 20 55 1 50 20 56 1 51 21 24 ar 52 21 57 1 53 22 25 ar 54 22 58 1 55 23 26 1 56 23 59 1 57 23 60 1 58 24 25 ar 59 24 61 1 60 26 27 1 61 26 62 1 62 26 63 1 63 27 28 1 64 27 64 1 65 27 65 1 66 28 30 1 67 28 66 1 68 28 67 1 69 29 68 1 70 29 69 1 71 29 70 1 72 30 71 1 73 30 72 1 74 31 33 1 75 32 34 1 76 33 34 2 77 33 73 1 78 34 74 1