@MOLECULE (17beta)-17-(butylamino)estra-1,3,5(10)-trien-3-ol 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.7013 -1.7980 -0.5060 O.3 1 UNL1111111111 -0.4770 2 N 3.9559 0.8451 -0.1343 N.3 1 UNL1111111111 -0.5627 3 C 1.3705 0.5411 -0.0007 C.3 1 UNL1111111111 0.0170 4 C 0.3180 1.6087 0.4156 C.3 1 UNL1111111111 -0.1405 5 C -1.0760 1.2056 -0.0551 C.3 1 UNL1111111111 -0.1166 6 C 2.6854 1.2574 0.4723 C.3 1 UNL1111111111 0.0342 7 C -1.4571 -0.1013 0.6908 C.3 1 UNL1111111111 -0.1094 8 C 1.0236 -0.7534 0.7418 C.3 1 UNL1111111111 -0.2939 9 C 0.9149 2.9287 -0.0914 C.3 1 UNL1111111111 -0.2835 10 C 2.4331 2.7619 0.1351 C.3 1 UNL1111111111 -0.2866 11 C -0.4118 -1.2007 0.4069 C.3 1 UNL1111111111 -0.2715 12 C -2.1286 2.2715 0.2631 C.3 1 UNL1111111111 -0.2775 13 C 1.4238 0.2845 -1.5096 C.3 1 UNL1111111111 -0.4582 14 C -2.8576 -0.5227 0.3328 C.ar 1 UNL1111111111 -0.0963 15 C -3.4606 1.8529 -0.3664 C.3 1 UNL1111111111 -0.2872 16 C -3.7926 0.4084 -0.1378 C.ar 1 UNL1111111111 0.0830 17 C 4.4156 -0.4877 0.3173 C.3 1 UNL1111111111 -0.1071 18 C -3.2558 -1.8511 0.5285 C.ar 1 UNL1111111111 -0.0992 19 C -5.0994 0.0054 -0.4348 C.ar 1 UNL1111111111 -0.3472 20 C 5.7763 -0.7850 -0.3378 C.3 1 UNL1111111111 -0.2843 21 C -4.5463 -2.2735 0.2422 C.ar 1 UNL1111111111 -0.2567 22 C -5.4526 -1.3269 -0.2427 C.ar 1 UNL1111111111 0.2931 23 C 6.3199 -2.1311 0.1530 C.3 1 UNL1111111111 -0.2499 24 C 7.6701 -2.4387 -0.4949 C.3 1 UNL1111111111 -0.4385 25 H 0.2962 1.6619 1.5350 H 1 UNL1111111111 0.1384 26 H -1.0722 1.0194 -1.1539 H 1 UNL1111111111 0.1474 27 H 2.7832 1.1374 1.5791 H 1 UNL1111111111 0.1349 28 H -1.4454 0.1091 1.7930 H 1 UNL1111111111 0.1467 29 H 1.1263 -0.6093 1.8331 H 1 UNL1111111111 0.1374 30 H 1.7311 -1.5593 0.4752 H 1 UNL1111111111 0.1370 31 H 0.5147 3.7968 0.4522 H 1 UNL1111111111 0.1343 32 H 0.6826 3.0926 -1.1553 H 1 UNL1111111111 0.1391 33 H 3.0065 3.0700 -0.7533 H 1 UNL1111111111 0.1450 34 H 2.7936 3.3964 0.9582 H 1 UNL1111111111 0.1405 35 H -0.4763 -1.5056 -0.6543 H 1 UNL1111111111 0.1459 36 H -0.6451 -2.1057 0.9994 H 1 UNL1111111111 0.1357 37 H -1.8150 3.2573 -0.1250 H 1 UNL1111111111 0.1399 38 H -2.2380 2.3952 1.3562 H 1 UNL1111111111 0.1426 39 H 0.4537 -0.0462 -1.9000 H 1 UNL1111111111 0.1540 40 H 1.6987 1.1890 -2.0630 H 1 UNL1111111111 0.1466 41 H 2.1483 -0.4994 -1.7543 H 1 UNL1111111111 0.1414 42 H 3.9212 0.8953 -1.1506 H 1 UNL1111111111 0.2583 43 H -3.4298 2.0415 -1.4624 H 1 UNL1111111111 0.1556 44 H -4.2741 2.4991 0.0237 H 1 UNL1111111111 0.1507 45 H 3.6926 -1.2969 0.0805 H 1 UNL1111111111 0.1113 46 H 4.5249 -0.4593 1.4237 H 1 UNL1111111111 0.1391 47 H -2.5440 -2.5794 0.9195 H 1 UNL1111111111 0.1527 48 H -5.8230 0.7215 -0.8059 H 1 UNL1111111111 0.1594 49 H 6.4869 0.0307 -0.0996 H 1 UNL1111111111 0.1549 50 H 5.6822 -0.7874 -1.4386 H 1 UNL1111111111 0.1362 51 H -4.8586 -3.3030 0.3876 H 1 UNL1111111111 0.1739 52 H 5.5997 -2.9396 -0.0747 H 1 UNL1111111111 0.1327 53 H 6.4255 -2.1186 1.2546 H 1 UNL1111111111 0.1345 54 H -7.3011 -1.0922 -0.8443 H 1 UNL1111111111 0.3246 55 H 8.0702 -3.3964 -0.1448 H 1 UNL1111111111 0.1395 56 H 7.5881 -2.4949 -1.5860 H 1 UNL1111111111 0.1428 57 H 8.4115 -1.6665 -0.2599 H 1 UNL1111111111 0.1438 @BOND 1 1 22 1 2 1 54 1 3 2 6 1 4 2 17 1 5 2 42 1 6 3 4 1 7 3 6 1 8 3 8 1 9 3 13 1 10 4 5 1 11 4 9 1 12 4 25 1 13 5 7 1 14 5 12 1 15 5 26 1 16 6 10 1 17 6 27 1 18 7 11 1 19 7 14 1 20 7 28 1 21 8 11 1 22 8 29 1 23 8 30 1 24 9 10 1 25 9 31 1 26 9 32 1 27 10 33 1 28 10 34 1 29 11 35 1 30 11 36 1 31 12 15 1 32 12 37 1 33 12 38 1 34 13 39 1 35 13 40 1 36 13 41 1 37 14 16 ar 38 14 18 ar 39 15 16 1 40 15 43 1 41 15 44 1 42 16 19 ar 43 17 20 1 44 17 45 1 45 17 46 1 46 18 21 ar 47 18 47 1 48 19 22 ar 49 19 48 1 50 20 23 1 51 20 49 1 52 20 50 1 53 21 22 ar 54 21 51 1 55 23 24 1 56 23 52 1 57 23 53 1 58 24 55 1 59 24 56 1 60 24 57 1