@MOLECULE {6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}[(3s)-3-{[3-(dimethylamino)propyl](methyl)amino}-1-pyrrolidinyl]methanone 82 87 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.7826 1.9271 2.3033 C.ar 1 UNL1111 -0.2393 2 C -5.0654 2.1408 1.8563 C.ar 1 UNL1111 0.0681 3 CL -6.1327 3.0283 2.8626 Cl 1 UNL1111 -0.0973 4 C -5.5707 1.6790 0.6254 C.ar 1 UNL1111 -0.2212 5 C -4.7491 0.9647 -0.2241 C.ar 1 UNL1111 -0.0623 6 C -3.4261 0.7196 0.1656 C.ar 1 UNL1111 -0.0949 7 C -2.9532 1.1958 1.4358 C.ar 1 UNL1111 0.1359 8 N -1.6341 0.7998 1.5870 N.ar 1 UNL1111 -0.3173 9 C -1.2535 0.1078 0.4356 C.ar 1 UNL1111 -0.0061 10 C 0.1192 -0.3758 0.2118 C.2 1 UNL1111 0.5572 11 O 0.5673 -0.5618 -0.8943 O.2 1 UNL1111 -0.4456 12 N 0.9240 -0.4509 1.3837 N.am 1 UNL1111 -0.4956 13 C 2.3735 -0.5409 1.1065 C.3 1 UNL1111 -0.1094 14 C 2.7329 -2.0505 1.1939 C.3 1 UNL1111 0.0281 15 N 4.1538 -2.2129 1.5820 N.3 1 UNL1111 -0.4282 16 C 5.0548 -1.5925 0.5694 C.3 1 UNL1111 -0.1177 17 C 5.5606 -0.2497 1.1298 C.3 1 UNL1111 -0.2921 18 C 6.2609 0.5684 0.0294 C.3 1 UNL1111 -0.1186 19 N 6.1643 2.0144 0.3566 N.3 1 UNL1111 -0.3769 20 C 7.0071 2.3694 1.5173 C.3 1 UNL1111 -0.2835 21 C 6.5396 2.8365 -0.8152 C.3 1 UNL1111 -0.2842 22 C 4.4903 -3.6403 1.7732 C.3 1 UNL1111 -0.2784 23 C 1.7547 -2.5736 2.2787 C.3 1 UNL1111 -0.3234 24 C 0.5851 -1.5610 2.3167 C.3 1 UNL1111 -0.0801 25 C -2.3256 0.0397 -0.4502 C.ar 1 UNL1111 -0.0500 26 C -2.2990 -0.6247 -1.7176 C.ar 1 UNL1111 0.0157 27 C -2.2539 -2.0017 -1.9998 C.ar 1 UNL1111 0.0499 28 C -2.1853 -3.0811 -1.0339 C.ar 1 UNL1111 0.0206 29 C -1.3580 -4.1825 -1.2791 C.ar 1 UNL1111 -0.1191 30 C -1.2042 -5.1644 -0.3047 C.ar 1 UNL1111 -0.1552 31 C -1.8781 -5.0568 0.9112 C.ar 1 UNL1111 -0.1555 32 C -2.7210 -3.9721 1.1476 C.ar 1 UNL1111 -0.1524 33 C -2.8804 -2.9877 0.1768 C.ar 1 UNL1111 -0.1572 34 N -2.1784 -2.1807 -3.3750 N.ar 1 UNL1111 -0.3699 35 C -2.1507 -0.9607 -3.9343 C.ar 1 UNL1111 0.0724 36 N -2.2415 0.0266 -2.9506 N.ar 1 UNL1111 -0.2523 37 C -1.9856 1.4536 -3.1197 C.3 1 UNL1111 -0.0801 38 C -0.6478 1.8249 -2.5243 C.ar 1 UNL1111 -0.0630 39 C 0.5045 1.1512 -2.9374 C.ar 1 UNL1111 -0.0901 40 C 1.7239 1.4015 -2.3116 C.ar 1 UNL1111 -0.1519 41 C 1.7578 2.3281 -1.2766 C.ar 1 UNL1111 0.0212 42 CL 3.2276 2.5491 -0.4362 Cl 1 UNL1111 -0.0556 43 C 0.6365 3.0464 -0.8813 C.ar 1 UNL1111 -0.1794 44 C -0.5770 2.7885 -1.5172 C.ar 1 UNL1111 -0.1334 45 H -3.4207 2.2904 3.2595 H 1 UNL1111 0.1763 46 H -6.6047 1.8841 0.3519 H 1 UNL1111 0.1720 47 H -5.1100 0.5851 -1.1800 H 1 UNL1111 0.1664 48 H -1.0151 1.0188 2.3406 H 1 UNL1111 0.3357 49 H 2.6402 -0.1016 0.1269 H 1 UNL1111 0.1632 50 H 2.8991 0.0436 1.8961 H 1 UNL1111 0.1692 51 H 2.5046 -2.5465 0.2170 H 1 UNL1111 0.1297 52 H 5.9246 -2.2482 0.3564 H 1 UNL1111 0.1290 53 H 4.5438 -1.4369 -0.4053 H 1 UNL1111 0.1282 54 H 4.7186 0.3407 1.5476 H 1 UNL1111 0.1715 55 H 6.2325 -0.4303 1.9861 H 1 UNL1111 0.1424 56 H 7.3051 0.2211 -0.1043 H 1 UNL1111 0.1073 57 H 5.7392 0.4103 -0.9419 H 1 UNL1111 0.1395 58 H 8.0816 2.1870 1.3759 H 1 UNL1111 0.1131 59 H 6.8615 3.4368 1.7512 H 1 UNL1111 0.1416 60 H 6.6685 1.7977 2.3971 H 1 UNL1111 0.1490 61 H 5.9035 2.5658 -1.6741 H 1 UNL1111 0.1487 62 H 6.3318 3.8946 -0.5831 H 1 UNL1111 0.1453 63 H 7.5918 2.7470 -1.1184 H 1 UNL1111 0.1117 64 H 4.3331 -4.2678 0.8833 H 1 UNL1111 0.1206 65 H 5.5456 -3.7224 2.0829 H 1 UNL1111 0.1460 66 H 3.8867 -4.0507 2.5988 H 1 UNL1111 0.1435 67 H 1.4033 -3.5886 2.0465 H 1 UNL1111 0.1444 68 H 2.2582 -2.6199 3.2600 H 1 UNL1111 0.1594 69 H 0.4773 -1.1205 3.3298 H 1 UNL1111 0.1425 70 H -0.3795 -2.0395 2.0544 H 1 UNL1111 0.1472 71 H -0.8363 -4.2569 -2.2346 H 1 UNL1111 0.1709 72 H -0.5561 -6.0168 -0.4940 H 1 UNL1111 0.1452 73 H -1.7514 -5.8222 1.6718 H 1 UNL1111 0.1401 74 H -3.2583 -3.8940 2.0897 H 1 UNL1111 0.1452 75 H -3.5447 -2.1432 0.3571 H 1 UNL1111 0.1602 76 H -2.0980 -0.7532 -4.9868 H 1 UNL1111 0.1822 77 H -2.0161 1.7125 -4.2043 H 1 UNL1111 0.1578 78 H -2.8143 2.0249 -2.6307 H 1 UNL1111 0.1652 79 H 0.4455 0.3921 -3.7178 H 1 UNL1111 0.1622 80 H 2.6152 0.8505 -2.6087 H 1 UNL1111 0.1717 81 H 0.6919 3.7814 -0.0804 H 1 UNL1111 0.1677 82 H -1.4725 3.3240 -1.2043 H 1 UNL1111 0.1565 @BOND 1 1 2 ar 2 1 7 ar 3 1 45 1 4 2 3 1 5 2 4 ar 6 4 5 ar 7 4 46 1 8 5 6 ar 9 5 47 1 10 6 7 ar 11 6 25 ar 12 7 8 ar 13 8 9 ar 14 8 48 1 15 9 10 1 16 9 25 ar 17 10 11 2 18 10 12 am 19 12 13 1 20 12 24 1 21 13 14 1 22 13 49 1 23 13 50 1 24 14 15 1 25 14 23 1 26 14 51 1 27 15 16 1 28 15 22 1 29 16 17 1 30 16 52 1 31 16 53 1 32 17 18 1 33 17 54 1 34 17 55 1 35 18 19 1 36 18 56 1 37 18 57 1 38 19 20 1 39 19 21 1 40 20 58 1 41 20 59 1 42 20 60 1 43 21 61 1 44 21 62 1 45 21 63 1 46 22 64 1 47 22 65 1 48 22 66 1 49 23 24 1 50 23 67 1 51 23 68 1 52 24 69 1 53 24 70 1 54 25 26 1 55 26 27 ar 56 26 36 ar 57 27 28 1 58 27 34 ar 59 28 29 ar 60 28 33 ar 61 29 30 ar 62 29 71 1 63 30 31 ar 64 30 72 1 65 31 32 ar 66 31 73 1 67 32 33 ar 68 32 74 1 69 33 75 1 70 34 35 ar 71 35 36 ar 72 35 76 1 73 36 37 1 74 37 38 1 75 37 77 1 76 37 78 1 77 38 39 ar 78 38 44 ar 79 39 40 ar 80 39 79 1 81 40 41 ar 82 40 80 1 83 41 42 1 84 41 43 ar 85 43 44 ar 86 43 81 1 87 44 82 1