@MOLECULE (2beta,3alpha,5alpha)-3-(dimethylamino)-2-hydroxyandrostan-17-one 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6138 2.1783 1.0474 O.3 1 UNL1111111111 -0.5811 2 O 5.5039 0.7941 -1.3780 O.2 1 UNL1111111111 -0.4543 3 N -4.1225 -0.6271 -1.2230 N.3 1 UNL1111111111 -0.4028 4 C 0.4437 0.3244 -0.2162 C.3 1 UNL1111111111 -0.1332 5 C -0.9464 0.5068 0.4702 C.3 1 UNL1111111111 0.0714 6 C 1.3203 -0.6812 0.5832 C.3 1 UNL1111111111 -0.1144 7 C 2.6399 -0.8151 -0.1740 C.3 1 UNL1111111111 -0.1411 8 C -1.6031 -0.8975 0.5284 C.3 1 UNL1111111111 -0.1218 9 C 3.3909 0.5440 -0.1889 C.3 1 UNL1111111111 -0.0385 10 C 1.1679 1.6711 -0.4223 C.3 1 UNL1111111111 -0.2769 11 C 0.6175 -2.0415 0.6978 C.3 1 UNL1111111111 -0.2832 12 C -0.7586 -1.8793 1.3517 C.3 1 UNL1111111111 -0.2839 13 C 2.5744 1.5177 -1.0314 C.3 1 UNL1111111111 -0.2751 14 C -1.8328 1.3982 -0.4279 C.3 1 UNL1111111111 -0.3568 15 C -3.0376 -0.8268 1.0657 C.3 1 UNL1111111111 -0.3068 16 C 3.6973 -1.8198 0.3199 C.3 1 UNL1111111111 -0.2730 17 C -0.7858 1.1413 1.8584 C.3 1 UNL1111111111 -0.4579 18 C -3.3268 1.3988 -0.0922 C.3 1 UNL1111111111 0.1614 19 C -3.9458 -0.0147 0.1247 C.3 1 UNL1111111111 -0.0176 20 C 4.7483 0.1157 -0.7432 C.2 1 UNL1111111111 0.4657 21 C 5.0006 -1.3307 -0.3474 C.3 1 UNL1111111111 -0.3883 22 C 3.6930 1.1303 1.1959 C.3 1 UNL1111111111 -0.4479 23 C -5.3101 -0.0471 -1.8984 C.3 1 UNL1111111111 -0.2838 24 C -4.2735 -2.0981 -1.1799 C.3 1 UNL1111111111 -0.2782 25 H 0.2607 -0.1188 -1.2266 H 1 UNL1111111111 0.1393 26 H 1.5064 -0.2872 1.6073 H 1 UNL1111111111 0.1408 27 H 2.3942 -1.0916 -1.2332 H 1 UNL1111111111 0.1438 28 H -1.6536 -1.2794 -0.5262 H 1 UNL1111111111 0.1561 29 H 1.2415 2.2105 0.5398 H 1 UNL1111111111 0.1403 30 H 0.5620 2.3182 -1.0849 H 1 UNL1111111111 0.1398 31 H 1.2392 -2.7386 1.2884 H 1 UNL1111111111 0.1338 32 H 0.5096 -2.5023 -0.3018 H 1 UNL1111111111 0.1397 33 H -1.2647 -2.8599 1.4137 H 1 UNL1111111111 0.1331 34 H -0.6544 -1.5264 2.3930 H 1 UNL1111111111 0.1396 35 H 2.5045 1.1638 -2.0768 H 1 UNL1111111111 0.1432 36 H 3.0772 2.5018 -1.0874 H 1 UNL1111111111 0.1506 37 H -1.7319 1.0593 -1.4815 H 1 UNL1111111111 0.1635 38 H -1.4694 2.4435 -0.3986 H 1 UNL1111111111 0.1535 39 H -3.4426 -1.8435 1.2173 H 1 UNL1111111111 0.1400 40 H -3.0552 -0.3648 2.0711 H 1 UNL1111111111 0.1403 41 H 3.4490 -2.8517 0.0322 H 1 UNL1111111111 0.1403 42 H 3.7772 -1.8140 1.4183 H 1 UNL1111111111 0.1424 43 H -0.0027 0.6440 2.4423 H 1 UNL1111111111 0.1499 44 H -0.5154 2.2010 1.7834 H 1 UNL1111111111 0.1486 45 H -1.7057 1.0735 2.4509 H 1 UNL1111111111 0.1354 46 H -3.8894 1.9574 -0.8803 H 1 UNL1111111111 0.1381 47 H -4.9354 0.1242 0.6377 H 1 UNL1111111111 0.1292 48 H 5.2565 -1.9306 -1.2380 H 1 UNL1111111111 0.1693 49 H 5.8710 -1.4048 0.3246 H 1 UNL1111111111 0.1681 50 H 4.2143 0.4154 1.8415 H 1 UNL1111111111 0.1469 51 H 4.3225 2.0257 1.1084 H 1 UNL1111111111 0.1564 52 H 2.7761 1.4285 1.7176 H 1 UNL1111111111 0.1561 53 H -3.0546 1.9247 1.8083 H 1 UNL1111111111 0.3192 54 H -5.2040 1.0475 -1.9690 H 1 UNL1111111111 0.1459 55 H -6.2666 -0.2692 -1.4031 H 1 UNL1111111111 0.1204 56 H -5.3511 -0.4305 -2.9312 H 1 UNL1111111111 0.1451 57 H -5.0604 -2.4561 -0.5006 H 1 UNL1111111111 0.1184 58 H -3.3131 -2.5531 -0.8850 H 1 UNL1111111111 0.1486 59 H -4.4955 -2.4693 -2.1944 H 1 UNL1111111111 0.1426 @BOND 1 1 18 1 2 1 53 1 3 2 20 2 4 3 19 1 5 3 23 1 6 3 24 1 7 4 5 1 8 4 6 1 9 4 10 1 10 4 25 1 11 5 8 1 12 5 14 1 13 5 17 1 14 6 7 1 15 6 11 1 16 6 26 1 17 7 9 1 18 7 16 1 19 7 27 1 20 8 12 1 21 8 15 1 22 8 28 1 23 9 13 1 24 9 20 1 25 9 22 1 26 10 13 1 27 10 29 1 28 10 30 1 29 11 12 1 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 14 18 1 37 14 37 1 38 14 38 1 39 15 19 1 40 15 39 1 41 15 40 1 42 16 21 1 43 16 41 1 44 16 42 1 45 17 43 1 46 17 44 1 47 17 45 1 48 18 19 1 49 18 46 1 50 19 47 1 51 20 21 1 52 21 48 1 53 21 49 1 54 22 50 1 55 22 51 1 56 22 52 1 57 23 54 1 58 23 55 1 59 23 56 1 60 24 57 1 61 24 58 1 62 24 59 1