@MOLECULE pregn-7-en-4-ol, 21-(3,4-dihydro-4-(1-methylethylidene)-2h-pyrrol-5-yl)-3-(dimethylamino)-20-methyl-, (3beta,4beta,5alpha,20r)- 84 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.1133 0.0147 -0.7897 C.3 1 UNL1 -0.1411 2 C -3.5069 0.3840 -0.1773 C.3 1 UNL1 0.0909 3 C 0.0274 -1.2138 -0.3313 C.3 1 UNL1 -0.1553 4 C 0.8210 0.1281 -0.2867 C.3 1 UNL1 0.0913 5 C -4.2182 -0.9554 0.1416 C.3 1 UNL1 -0.1575 6 C 2.2693 -0.3650 -0.5808 C.3 1 UNL1 -0.1464 7 C -5.7056 -0.8187 0.5071 C.3 1 UNL1 0.1382 8 C -6.4898 0.0169 -0.5542 C.3 1 UNL1 -0.0251 9 C 3.4035 0.5844 -0.1522 C.3 1 UNL1 -0.0704 10 C 4.7758 -0.0574 -0.4750 C.3 1 UNL1 -0.3081 11 C -3.3445 1.2559 1.0722 C.3 1 UNL1 -0.4619 12 C 0.7309 0.7926 1.0902 C.3 1 UNL1 -0.4567 13 C 3.3155 1.9368 -0.8677 C.3 1 UNL1 -0.4515 14 C -8.5630 1.3975 -0.3766 C.3 1 UNL1 -0.2732 15 C -8.6965 -1.0161 -0.3917 C.3 1 UNL1 -0.2801 16 C 7.1018 -1.5905 -1.7098 C.3 1 UNL1 -0.4576 17 C 9.3448 -1.0462 -0.7233 C.3 1 UNL1 -0.4567 18 H -6.7075 0.1404 1.8994 H 1 UNL1 0.3388 19 C -1.2756 1.2873 -1.0471 C.3 1 UNL1 -0.2722 20 C 0.2019 1.0183 -1.3719 C.3 1 UNL1 -0.3051 21 C -3.4733 -1.6867 1.2687 C.3 1 UNL1 -0.2638 22 C 0.9040 -2.1745 0.4837 C.3 1 UNL1 -0.2762 23 C -4.3411 1.1350 -1.2391 C.3 1 UNL1 -0.3008 24 C 2.3493 -1.7276 0.1706 C.3 1 UNL1 -0.2781 25 C -5.7802 1.3639 -0.7634 C.3 1 UNL1 -0.2853 26 C 8.1041 0.8850 1.1571 C.3 1 UNL1 -0.3064 27 C 7.0178 1.7204 1.8956 C.3 1 UNL1 -0.1254 28 O -5.7983 -0.2242 1.7843 O.3 1 UNL1 -0.5665 29 C 7.8723 -0.7863 -0.7175 C.2 1 UNL1 0.0679 30 C 5.9030 0.4984 0.3287 C.2 1 UNL1 0.2011 31 C 7.3228 0.0889 0.1349 C.2 1 UNL1 -0.1546 32 C -2.0168 -1.7806 0.9646 C.2 1 UNL1 -0.2152 33 N -7.8699 0.1495 -0.0028 N.3 1 UNL1 -0.4268 34 C -1.4013 -1.0181 0.0536 C.2 1 UNL1 -0.0115 35 N 5.7347 1.3706 1.2747 N.2 1 UNL1 -0.3999 36 H -2.2963 -0.4696 -1.7851 H 1 UNL1 0.1375 37 H 0.0233 -1.5851 -1.3921 H 1 UNL1 0.1413 38 H -4.1711 -1.5904 -0.7799 H 1 UNL1 0.1349 39 H -1.7324 1.8572 -1.8774 H 1 UNL1 0.1289 40 H -1.3224 1.9522 -0.1628 H 1 UNL1 0.1505 41 H 2.3604 -0.5471 -1.6744 H 1 UNL1 0.1288 42 H 0.7429 1.9784 -1.4493 H 1 UNL1 0.1427 43 H 0.2967 0.5402 -2.3627 H 1 UNL1 0.1321 44 H -1.4822 -2.5313 1.5402 H 1 UNL1 0.1433 45 H -6.1634 -1.8315 0.6081 H 1 UNL1 0.1090 46 H -3.6326 -1.1551 2.2344 H 1 UNL1 0.1734 47 H -3.9062 -2.6951 1.4184 H 1 UNL1 0.1385 48 H 0.6924 -2.0895 1.5627 H 1 UNL1 0.1430 49 H 0.7276 -3.2239 0.2105 H 1 UNL1 0.1293 50 H -3.8701 2.1098 -1.4648 H 1 UNL1 0.1420 51 H -4.3423 0.5720 -2.1899 H 1 UNL1 0.1333 52 H 2.8668 -2.4782 -0.4437 H 1 UNL1 0.1254 53 H 2.9256 -1.6270 1.1050 H 1 UNL1 0.1419 54 H -6.4874 -0.5400 -1.5243 H 1 UNL1 0.1215 55 H -3.1115 2.2942 0.8226 H 1 UNL1 0.1339 56 H -4.2650 1.2626 1.6742 H 1 UNL1 0.1760 57 H -2.5486 0.8728 1.7218 H 1 UNL1 0.1527 58 H 1.2853 0.2246 1.8461 H 1 UNL1 0.1503 59 H 1.1373 1.8088 1.0740 H 1 UNL1 0.1458 60 H -0.3080 0.8515 1.4378 H 1 UNL1 0.1536 61 H -6.3168 1.9813 -1.5051 H 1 UNL1 0.1312 62 H -5.7761 1.9358 0.1867 H 1 UNL1 0.1612 63 H 3.3424 0.7581 0.9520 H 1 UNL1 0.1659 64 H 4.7340 -1.1536 -0.2992 H 1 UNL1 0.1585 65 H 4.9900 0.0722 -1.5567 H 1 UNL1 0.1572 66 H 2.4478 2.5122 -0.5272 H 1 UNL1 0.1459 67 H 4.2013 2.5466 -0.6432 H 1 UNL1 0.1565 68 H 3.2472 1.8231 -1.9525 H 1 UNL1 0.1347 69 H -8.6132 1.5866 -1.4586 H 1 UNL1 0.1206 70 H -9.5938 1.3725 0.0167 H 1 UNL1 0.1438 71 H -8.0612 2.2490 0.1137 H 1 UNL1 0.1489 72 H -8.1860 -1.9479 -0.0991 H 1 UNL1 0.1459 73 H -9.6460 -0.9821 0.1686 H 1 UNL1 0.1463 74 H -8.9284 -1.0675 -1.4653 H 1 UNL1 0.1202 75 H 8.8537 1.5363 0.6795 H 1 UNL1 0.1497 76 H 8.6457 0.2255 1.8542 H 1 UNL1 0.1509 77 H 6.9736 1.4908 2.9779 H 1 UNL1 0.1504 78 H 7.1850 2.8104 1.7954 H 1 UNL1 0.1490 79 H 6.6164 -0.9464 -2.4586 H 1 UNL1 0.1620 80 H 7.7348 -2.2959 -2.2662 H 1 UNL1 0.1562 81 H 6.3195 -2.1931 -1.2249 H 1 UNL1 0.1619 82 H 9.9307 -0.2204 -0.2992 H 1 UNL1 0.1551 83 H 9.5796 -1.9456 -0.1336 H 1 UNL1 0.1622 84 H 9.7295 -1.2120 -1.7393 H 1 UNL1 0.1573 @BOND 1 79 16 1 2 43 20 1 3 80 16 1 4 51 23 1 5 68 13 1 6 39 19 1 7 36 1 1 8 84 17 1 9 16 81 1 10 16 29 1 11 41 6 1 12 65 10 1 13 54 8 1 14 61 25 1 15 74 15 1 16 50 23 1 17 69 14 1 18 42 20 1 19 37 3 1 20 20 19 1 21 20 4 1 22 23 25 1 23 23 2 1 24 19 1 1 25 19 40 1 26 13 67 1 27 13 66 1 28 13 9 1 29 1 2 1 30 1 34 1 31 38 5 1 32 25 8 1 33 25 62 1 34 17 29 1 35 17 82 1 36 17 83 1 37 29 31 2 38 6 4 1 39 6 9 1 40 6 24 1 41 8 33 1 42 8 7 1 43 10 64 1 44 10 9 1 45 10 30 1 46 52 24 1 47 15 72 1 48 15 33 1 49 15 73 1 50 14 33 1 51 14 70 1 52 14 71 1 53 3 4 1 54 3 34 1 55 3 22 1 56 4 12 1 57 2 5 1 58 2 11 1 59 9 63 1 60 34 32 2 61 31 30 1 62 31 26 1 63 5 7 1 64 5 21 1 65 24 22 1 66 24 53 1 67 49 22 1 68 30 35 2 69 22 48 1 70 7 45 1 71 7 28 1 72 75 26 1 73 55 11 1 74 32 21 1 75 32 44 1 76 11 56 1 77 11 57 1 78 59 12 1 79 12 60 1 80 12 58 1 81 26 76 1 82 26 27 1 83 21 47 1 84 21 46 1 85 35 27 1 86 28 18 1 87 78 27 1 88 27 77 1