@MOLECULE n-[(3beta,5alpha)-3-(dimethylamino)pregnan-20-yl]-n-methylacetamide 75 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.2524 -0.9125 1.9723 O.2 1 UNL1111111111 -0.5563 2 N 5.7263 -0.2095 -0.1229 N.am 1 UNL1111111111 -0.5208 3 N -6.8952 -0.1452 0.3158 N.3 1 UNL1111111111 -0.4157 4 C 1.0517 0.9718 0.0849 C.3 1 UNL1111111111 -0.1386 5 C -0.3924 1.0138 -0.4145 C.3 1 UNL1111111111 -0.1175 6 C 1.8330 -0.2345 -0.5218 C.3 1 UNL1111111111 0.0771 7 C -1.0897 -0.2827 0.0794 C.3 1 UNL1111111111 -0.1344 8 C -2.5841 -0.3055 -0.3602 C.3 1 UNL1111111111 0.0690 9 C 3.2547 0.0568 0.0381 C.3 1 UNL1111111111 -0.1865 10 C -3.2526 0.9560 0.2508 C.3 1 UNL1111111111 -0.1213 11 C 1.1616 -1.5070 0.0102 C.3 1 UNL1111111111 -0.2930 12 C -0.3245 -1.5343 -0.3906 C.3 1 UNL1111111111 -0.2766 13 C 1.9587 2.1751 -0.2073 C.3 1 UNL1111111111 -0.2816 14 C -1.1123 2.2580 0.1284 C.3 1 UNL1111111111 -0.2848 15 C 3.3889 1.6024 -0.0739 C.3 1 UNL1111111111 -0.2756 16 C -2.5920 2.2422 -0.2673 C.3 1 UNL1111111111 -0.2777 17 C -3.2858 -1.5393 0.2575 C.3 1 UNL1111111111 -0.2958 18 C -4.7605 0.9835 -0.0164 C.3 1 UNL1111111111 -0.3028 19 C 1.8439 -0.2396 -2.0556 C.3 1 UNL1111111111 -0.4615 20 C -2.7160 -0.3572 -1.8874 C.3 1 UNL1111111111 -0.4576 21 C 4.4237 -0.6687 -0.6637 C.3 1 UNL1111111111 0.1279 22 C -5.4372 -0.2524 0.6222 C.3 1 UNL1111111111 0.0521 23 C -4.8028 -1.5289 0.0297 C.3 1 UNL1111111111 -0.2948 24 C 4.3378 -2.1935 -0.4976 C.3 1 UNL1111111111 -0.4770 25 C 6.5490 0.6273 -0.9963 C.3 1 UNL1111111111 -0.2244 26 C -7.5447 0.8143 1.2407 C.3 1 UNL1111111111 -0.2800 27 C -7.6096 -1.4370 0.3755 C.3 1 UNL1111111111 -0.2772 28 C 6.0116 -0.3236 1.2248 C.2 1 UNL1111111111 0.6108 29 C 7.3081 0.2572 1.7284 C.3 1 UNL1111111111 -0.5268 30 H 1.0212 0.8382 1.1976 H 1 UNL1111111111 0.1422 31 H -0.4112 1.0475 -1.5266 H 1 UNL1111111111 0.1382 32 H -1.0689 -0.2732 1.1972 H 1 UNL1111111111 0.1358 33 H 3.2697 -0.2320 1.1185 H 1 UNL1111111111 0.1747 34 H -3.0998 0.9139 1.3592 H 1 UNL1111111111 0.1334 35 H 1.2596 -1.5580 1.1109 H 1 UNL1111111111 0.1445 36 H 1.6657 -2.4101 -0.3767 H 1 UNL1111111111 0.1378 37 H -0.4094 -1.6392 -1.4874 H 1 UNL1111111111 0.1383 38 H -0.7931 -2.4399 0.0375 H 1 UNL1111111111 0.1326 39 H 1.7835 3.0023 0.4951 H 1 UNL1111111111 0.1332 40 H 1.7807 2.5767 -1.2165 H 1 UNL1111111111 0.1348 41 H -0.6256 3.1713 -0.2594 H 1 UNL1111111111 0.1327 42 H -1.0142 2.3052 1.2287 H 1 UNL1111111111 0.1382 43 H 4.0017 1.8880 -0.9407 H 1 UNL1111111111 0.1268 44 H 3.8965 2.0042 0.8159 H 1 UNL1111111111 0.1342 45 H -3.1051 3.1280 0.1492 H 1 UNL1111111111 0.1318 46 H -2.7013 2.3182 -1.3639 H 1 UNL1111111111 0.1397 47 H -3.0720 -1.5832 1.3417 H 1 UNL1111111111 0.1363 48 H -2.8645 -2.4662 -0.1743 H 1 UNL1111111111 0.1388 49 H -5.2000 1.9121 0.3894 H 1 UNL1111111111 0.1351 50 H -4.9800 1.0049 -1.0989 H 1 UNL1111111111 0.1565 51 H 2.3609 0.6384 -2.4555 H 1 UNL1111111111 0.1426 52 H 0.8280 -0.2285 -2.4671 H 1 UNL1111111111 0.1506 53 H 2.3375 -1.1348 -2.4464 H 1 UNL1111111111 0.1401 54 H -2.1418 0.4389 -2.3721 H 1 UNL1111111111 0.1446 55 H -3.7598 -0.2396 -2.2021 H 1 UNL1111111111 0.1510 56 H -2.3627 -1.3130 -2.2869 H 1 UNL1111111111 0.1401 57 H 4.4063 -0.4238 -1.7587 H 1 UNL1111111111 0.1294 58 H -5.2561 -0.2506 1.7278 H 1 UNL1111111111 0.1106 59 H -5.0289 -1.5894 -1.0514 H 1 UNL1111111111 0.1520 60 H -5.2411 -2.4325 0.4908 H 1 UNL1111111111 0.1321 61 H 4.1876 -2.4685 0.5576 H 1 UNL1111111111 0.1803 62 H 5.2630 -2.6801 -0.8245 H 1 UNL1111111111 0.1509 63 H 3.5115 -2.6099 -1.0804 H 1 UNL1111111111 0.1473 64 H 7.6127 0.3385 -0.9223 H 1 UNL1111111111 0.1434 65 H 6.4545 1.6983 -0.7440 H 1 UNL1111111111 0.1346 66 H 6.2566 0.5011 -2.0531 H 1 UNL1111111111 0.1476 67 H -8.5900 0.9626 0.9233 H 1 UNL1111111111 0.1429 68 H -7.0465 1.7944 1.1646 H 1 UNL1111111111 0.1443 69 H -7.5396 0.5019 2.2951 H 1 UNL1111111111 0.1164 70 H -8.6909 -1.2633 0.2463 H 1 UNL1111111111 0.1413 71 H -7.4599 -1.9999 1.3079 H 1 UNL1111111111 0.1167 72 H -7.2911 -2.0601 -0.4768 H 1 UNL1111111111 0.1461 73 H 7.3710 1.3381 1.5602 H 1 UNL1111111111 0.1666 74 H 7.3888 0.0878 2.8152 H 1 UNL1111111111 0.1848 75 H 8.1771 -0.2218 1.2612 H 1 UNL1111111111 0.1693 @BOND 1 1 28 2 2 2 21 1 3 2 25 1 4 2 28 am 5 3 22 1 6 3 26 1 7 3 27 1 8 4 5 1 9 4 6 1 10 4 13 1 11 4 30 1 12 5 7 1 13 5 14 1 14 5 31 1 15 6 9 1 16 6 11 1 17 6 19 1 18 7 8 1 19 7 12 1 20 7 32 1 21 8 10 1 22 8 17 1 23 8 20 1 24 9 15 1 25 9 21 1 26 9 33 1 27 10 16 1 28 10 18 1 29 10 34 1 30 11 12 1 31 11 35 1 32 11 36 1 33 12 37 1 34 12 38 1 35 13 15 1 36 13 39 1 37 13 40 1 38 14 16 1 39 14 41 1 40 14 42 1 41 15 43 1 42 15 44 1 43 16 45 1 44 16 46 1 45 17 23 1 46 17 47 1 47 17 48 1 48 18 22 1 49 18 49 1 50 18 50 1 51 19 51 1 52 19 52 1 53 19 53 1 54 20 54 1 55 20 55 1 56 20 56 1 57 21 24 1 58 21 57 1 59 22 23 1 60 22 58 1 61 23 59 1 62 23 60 1 63 24 61 1 64 24 62 1 65 24 63 1 66 25 64 1 67 25 65 1 68 25 66 1 69 26 67 1 70 26 68 1 71 26 69 1 72 27 70 1 73 27 71 1 74 27 72 1 75 28 29 1 76 29 73 1 77 29 74 1 78 29 75 1