@MOLECULE n-methyl-n-[(3beta,5alpha,20s)-20-(methylamino)pregnan-3-yl]benzamide 77 81 0 0 0 SMALL USER_CHARGES @ATOM 1 O 4.2610 -0.4104 1.2858 O.2 1 UNL111111 -0.5262 2 N 4.4030 -0.0359 -0.9360 N.am 1 UNL111111 -0.5068 3 N -8.1604 -0.0809 -0.0996 N.3 1 UNL111111 -0.5467 4 C -2.0854 1.0246 0.1268 C.3 1 UNL111111 -0.1176 5 C -3.5437 1.0384 -0.3313 C.3 1 UNL111111 -0.1410 6 C -1.3898 -0.1748 -0.5707 C.3 1 UNL111111 -0.1358 7 C -4.2961 -0.2526 0.1195 C.3 1 UNL111111 0.0720 8 C 0.1148 -0.2470 -0.1701 C.3 1 UNL111111 0.0719 9 C 0.7644 1.1017 -0.5938 C.3 1 UNL111111 -0.1182 10 C -5.7439 0.0966 -0.3362 C.3 1 UNL111111 -0.1540 11 C -2.1338 -1.4919 -0.2748 C.3 1 UNL111111 -0.2756 12 C -3.6335 -1.4246 -0.6175 C.3 1 UNL111111 -0.2981 13 C -1.3901 2.3430 -0.2473 C.3 1 UNL111111 -0.2845 14 C -4.4487 2.1756 0.1584 C.3 1 UNL111111 -0.2859 15 C 0.0969 2.2884 0.1169 C.3 1 UNL111111 -0.2771 16 C -5.8770 1.6143 -0.0176 C.3 1 UNL111111 -0.2610 17 C 0.8078 -1.3714 -0.9818 C.3 1 UNL111111 -0.2970 18 C 2.2767 1.1056 -0.3307 C.3 1 UNL111111 -0.3295 19 C -4.2468 -0.4813 1.6346 C.3 1 UNL111111 -0.4586 20 C 0.2823 -0.5259 1.3273 C.3 1 UNL111111 -0.4618 21 C -6.8855 -0.7064 0.3301 C.3 1 UNL111111 0.0635 22 C 2.3247 -1.3909 -0.7674 C.3 1 UNL111111 -0.3091 23 C 2.9372 -0.0268 -1.1418 C.3 1 UNL111111 0.1231 24 C -6.8088 -2.1978 -0.0476 C.3 1 UNL111111 -0.5040 25 C 5.2091 0.1859 -2.1357 C.3 1 UNL111111 -0.2306 26 C -9.3153 -0.5124 0.7106 C.3 1 UNL111111 -0.2672 27 C 4.9592 -0.2369 0.3054 C.2 1 UNL111111 0.5755 28 C 6.4526 -0.2460 0.4202 C.ar 1 UNL111111 -0.1215 29 C 7.1217 0.9603 0.7139 C.ar 1 UNL111111 -0.1386 30 C 7.1087 -1.4993 0.2945 C.ar 1 UNL111111 -0.0631 31 C 8.5276 1.0375 0.8894 C.ar 1 UNL111111 -0.0930 32 C 8.4446 -1.2939 0.4803 C.ar 1 UNL111111 -0.0787 33 C 9.0488 -0.2139 0.7311 C.ar 1 UNL111111 -0.0570 34 H -2.0336 0.8968 1.2318 H 1 UNL111111 0.1429 35 H -3.5464 1.0660 -1.4511 H 1 UNL111111 0.1350 36 H -1.4373 0.0007 -1.6730 H 1 UNL111111 0.1306 37 H 0.6000 1.2235 -1.6936 H 1 UNL111111 0.1289 38 H -5.8117 -0.0488 -1.4370 H 1 UNL111111 0.1309 39 H -1.6740 -2.3164 -0.8505 H 1 UNL111111 0.1311 40 H -2.0123 -1.7613 0.7909 H 1 UNL111111 0.1434 41 H -3.7672 -1.3142 -1.7089 H 1 UNL111111 0.1354 42 H -4.1150 -2.3809 -0.3495 H 1 UNL111111 0.1352 43 H -1.5109 2.5460 -1.3269 H 1 UNL111111 0.1348 44 H -1.8785 3.1855 0.2760 H 1 UNL111111 0.1352 45 H -4.2452 2.4269 1.2107 H 1 UNL111111 0.1361 46 H -4.2994 3.0991 -0.4186 H 1 UNL111111 0.1304 47 H 0.2237 2.2025 1.2118 H 1 UNL111111 0.1447 48 H 0.5924 3.2330 -0.1715 H 1 UNL111111 0.1306 49 H -6.4202 2.1267 -0.8252 H 1 UNL111111 0.1368 50 H -6.4816 1.7729 0.8898 H 1 UNL111111 0.1470 51 H 0.3910 -2.3534 -0.6880 H 1 UNL111111 0.1420 52 H 0.5767 -1.2522 -2.0557 H 1 UNL111111 0.1318 53 H 2.4841 0.9763 0.7505 H 1 UNL111111 0.1789 54 H 2.7178 2.0786 -0.6065 H 1 UNL111111 0.1368 55 H -4.7229 -1.4269 1.9096 H 1 UNL111111 0.1395 56 H -3.2169 -0.5185 2.0075 H 1 UNL111111 0.1504 57 H -4.7559 0.3248 2.1748 H 1 UNL111111 0.1489 58 H -0.0747 -1.5256 1.5929 H 1 UNL111111 0.1419 59 H 1.3387 -0.4739 1.6284 H 1 UNL111111 0.1649 60 H -0.2617 0.1977 1.9421 H 1 UNL111111 0.1457 61 H -6.8165 -0.6018 1.4427 H 1 UNL111111 0.1408 62 H 2.5556 -1.6314 0.2919 H 1 UNL111111 0.1775 63 H 2.7911 -2.1941 -1.3663 H 1 UNL111111 0.1353 64 H 2.7504 0.1604 -2.2338 H 1 UNL111111 0.1283 65 H -7.6795 -2.7482 0.3229 H 1 UNL111111 0.1456 66 H -6.7599 -2.3383 -1.1315 H 1 UNL111111 0.1467 67 H -5.9209 -2.6684 0.3877 H 1 UNL111111 0.1548 68 H -8.3314 -0.2450 -1.0885 H 1 UNL111111 0.2526 69 H 5.0103 -0.6017 -2.8853 H 1 UNL111111 0.1449 70 H 6.2909 0.1722 -1.9216 H 1 UNL111111 0.1551 71 H 4.9735 1.1667 -2.5849 H 1 UNL111111 0.1442 72 H -10.2035 0.0527 0.3811 H 1 UNL111111 0.1420 73 H -9.5434 -1.5867 0.6492 H 1 UNL111111 0.1138 74 H -9.1385 -0.2549 1.7685 H 1 UNL111111 0.1445 75 H 6.5320 1.8706 0.8213 H 1 UNL111111 0.1688 76 H 6.5976 -2.4297 0.0992 H 1 UNL111111 0.1773 77 H 9.0553 1.9508 1.1181 H 1 UNL111111 0.1706 @BOND 1 69 25 1 2 71 25 1 3 64 23 1 4 25 70 1 5 25 2 1 6 52 17 1 7 41 12 1 8 37 9 1 9 36 6 1 10 35 5 1 11 38 10 1 12 63 22 1 13 43 13 1 14 23 2 1 15 23 22 1 16 23 18 1 17 66 24 1 18 68 3 1 19 17 22 1 20 17 51 1 21 17 8 1 22 2 27 am 23 39 11 1 24 49 16 1 25 22 62 1 26 12 42 1 27 12 11 1 28 12 7 1 29 54 18 1 30 9 18 1 31 9 8 1 32 9 15 1 33 6 11 1 34 6 8 1 35 6 4 1 36 46 14 1 37 10 16 1 38 10 7 1 39 10 21 1 40 18 53 1 41 5 7 1 42 5 4 1 43 5 14 1 44 11 40 1 45 13 15 1 46 13 4 1 47 13 44 1 48 48 15 1 49 8 20 1 50 3 21 1 51 3 26 1 52 24 65 1 53 24 21 1 54 24 67 1 55 16 14 1 56 16 50 1 57 76 30 1 58 15 47 1 59 7 19 1 60 4 34 1 61 14 45 1 62 30 28 ar 63 30 32 ar 64 27 28 1 65 27 1 2 66 21 61 1 67 72 26 1 68 28 29 ar 69 32 33 ar 70 73 26 1 71 26 74 1 72 29 75 1 73 29 31 ar 74 33 31 ar 75 31 77 1 76 20 58 1 77 20 59 1 78 20 60 1 79 19 55 1 80 19 56 1 81 19 57 1