@MOLECULE 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)-1-pyridiniumyl]methyl}phenyl)butyl]benzyl}pyridinium 83 87 0 0 0 SMALL GASTEIGER @ATOM 1 CL -11.4865 -4.0622 -0.7115 Cl 1 UNL1111111111 -0.0989 2 C 13.9675 1.2905 -0.5304 C.3 1 UNL1111111111 -0.2083 3 C 13.7467 -0.5339 -2.2455 C.3 1 UNL1111111111 -0.2124 4 C -9.5117 1.6376 2.2407 C.3 1 UNL1111111111 -0.1980 5 C -11.1925 -1.4100 -0.7114 C.ar 1 UNL1111111111 -0.1608 6 C -9.7191 -2.6821 0.7527 C.ar 1 UNL1111111111 -0.1607 7 C 5.7067 -1.1312 -0.4728 C.ar 1 UNL1111111111 -0.1724 8 C 5.9269 0.6223 1.1913 C.ar 1 UNL1111111111 -0.1729 9 C -1.6141 0.4135 -1.1251 C.ar 1 UNL1111111111 -0.1758 10 C -1.3950 2.1649 0.5354 C.ar 1 UNL1111111111 -0.1762 11 C 6.8469 -1.7504 0.0285 C.ar 1 UNL1111111111 -0.1413 12 C 7.0670 0.0038 1.6932 C.ar 1 UNL1111111111 -0.1443 13 C -2.7543 1.0333 -1.6247 C.ar 1 UNL1111111111 -0.1416 14 C -2.5352 2.7838 0.0370 C.ar 1 UNL1111111111 -0.1448 15 C -10.6013 -0.2294 -0.2783 C.ar 1 UNL1111111111 -0.1725 16 C -9.1342 -1.5002 1.1955 C.ar 1 UNL1111111111 -0.1677 17 C 11.6633 0.2908 0.8017 C.ar 1 UNL1111111111 -0.2496 18 C 11.4543 -1.5067 -0.8513 C.ar 1 UNL1111111111 -0.2297 19 C -7.1413 2.5220 0.9448 C.ar 1 UNL1111111111 -0.2187 20 C -7.3600 0.7460 -0.7377 C.ar 1 UNL1111111111 -0.1969 21 C 10.5731 -0.2138 1.4533 C.ar 1 UNL1111111111 0.0024 22 C 10.3445 -1.9774 -0.1960 C.ar 1 UNL1111111111 -0.0571 23 C -6.0415 3.0039 0.2759 C.ar 1 UNL1111111111 -0.0469 24 C -6.2640 1.2449 -1.3880 C.ar 1 UNL1111111111 -0.0609 25 C 2.7849 0.1774 0.3114 C.3 1 UNL1111111111 -0.2604 26 C 1.5280 0.8543 -0.2374 C.3 1 UNL1111111111 -0.2584 27 C 4.0207 0.7148 -0.4261 C.3 1 UNL1111111111 -0.2907 28 C 0.2929 0.3188 0.4968 C.3 1 UNL1111111111 -0.2916 29 C 8.7454 -1.8492 1.6484 C.3 1 UNL1111111111 -0.0915 30 C -4.4440 2.8832 -1.5800 C.3 1 UNL1111111111 -0.0941 31 C -10.7422 -2.6123 -0.1812 C.ar 1 UNL1111111111 0.0121 32 C 5.2502 0.0558 0.1069 C.ar 1 UNL1111111111 0.0200 33 C -0.9356 0.9772 -0.0420 C.ar 1 UNL1111111111 0.0118 34 C 7.5236 -1.1796 1.1085 C.ar 1 UNL1111111111 -0.0623 35 C -3.2120 2.2149 -1.0426 C.ar 1 UNL1111111111 -0.0561 36 C 12.1534 -0.3684 -0.3766 C.ar 1 UNL1111111111 0.1037 37 C -9.5771 -0.2757 0.6799 C.ar 1 UNL1111111111 0.2085 38 C -7.8213 1.3976 0.4426 C.ar 1 UNL1111111111 0.0676 39 N 13.2621 0.1165 -1.0283 N.pl3 1 UNL1111111111 -0.4067 40 N -8.9535 0.9252 1.0932 N.pl3 1 UNL1111111111 -0.4598 41 N 9.9621 -1.3784 1.0056 N.ar 1 UNL1111111111 -0.3079 42 N -5.6732 2.4363 -0.9492 N.ar 1 UNL1111111111 -0.3190 43 H 14.8310 1.5468 -1.1635 H 1 UNL1111111111 0.1416 44 H 13.2882 2.1678 -0.4857 H 1 UNL1111111111 0.1423 45 H 14.3499 1.1047 0.4920 H 1 UNL1111111111 0.1392 46 H 14.4697 -1.3323 -2.0002 H 1 UNL1111111111 0.1360 47 H 12.9127 -0.9897 -2.8142 H 1 UNL1111111111 0.1486 48 H 14.2247 0.1911 -2.9222 H 1 UNL1111111111 0.1391 49 H -9.0330 1.2914 3.1777 H 1 UNL1111111111 0.1336 50 H -9.3437 2.7264 2.1497 H 1 UNL1111111111 0.1469 51 H -10.5975 1.4770 2.3154 H 1 UNL1111111111 0.1391 52 H -11.9838 -1.3769 -1.4543 H 1 UNL1111111111 0.1705 53 H -9.3706 -3.6237 1.1598 H 1 UNL1111111111 0.1706 54 H 5.1713 -1.5707 -1.3137 H 1 UNL1111111111 0.1534 55 H 5.5648 1.5459 1.6418 H 1 UNL1111111111 0.1530 56 H -1.2576 -0.5045 -1.5845 H 1 UNL1111111111 0.1519 57 H -0.8665 2.6046 1.3763 H 1 UNL1111111111 0.1505 58 H 7.2058 -2.6758 -0.4225 H 1 UNL1111111111 0.1496 59 H 7.5977 0.4443 2.5378 H 1 UNL1111111111 0.1483 60 H -3.2987 0.5960 -2.4605 H 1 UNL1111111111 0.1516 61 H -2.9045 3.7024 0.4882 H 1 UNL1111111111 0.1486 62 H -10.9080 0.7324 -0.6913 H 1 UNL1111111111 0.1744 63 H -8.3239 -1.5268 1.9215 H 1 UNL1111111111 0.1750 64 H 12.1773 1.1449 1.2207 H 1 UNL1111111111 0.1591 65 H 11.7882 -2.0379 -1.7368 H 1 UNL1111111111 0.1566 66 H -7.4722 3.0300 1.8458 H 1 UNL1111111111 0.1545 67 H -7.8709 -0.1243 -1.1428 H 1 UNL1111111111 0.1601 68 H 10.1715 0.2284 2.3698 H 1 UNL1111111111 0.1578 69 H 9.7844 -2.8435 -0.5357 H 1 UNL1111111111 0.1588 70 H -5.4786 3.8721 0.6100 H 1 UNL1111111111 0.1483 71 H -5.8662 0.8080 -2.3000 H 1 UNL1111111111 0.1537 72 H 2.8758 0.3610 1.3982 H 1 UNL1111111111 0.1405 73 H 2.7141 -0.9222 0.2060 H 1 UNL1111111111 0.1417 74 H 1.5970 1.9537 -0.1226 H 1 UNL1111111111 0.1409 75 H 1.4344 0.6770 -1.3270 H 1 UNL1111111111 0.1416 76 H 3.9225 0.5426 -1.5184 H 1 UNL1111111111 0.1508 77 H 4.0825 1.8164 -0.3077 H 1 UNL1111111111 0.1501 78 H 0.2297 -0.7837 0.3923 H 1 UNL1111111111 0.1504 79 H 0.3893 0.4968 1.5849 H 1 UNL1111111111 0.1490 80 H 8.8523 -1.6762 2.7511 H 1 UNL1111111111 0.1504 81 H 8.6885 -2.9622 1.5402 H 1 UNL1111111111 0.1538 82 H -4.3771 3.9943 -1.4665 H 1 UNL1111111111 0.1476 83 H -4.5394 2.7128 -2.6829 H 1 UNL1111111111 0.1511 @BOND 1 1 31 1 2 2 39 1 3 2 43 1 4 2 44 1 5 2 45 1 6 3 39 1 7 3 46 1 8 3 47 1 9 3 48 1 10 4 40 1 11 4 49 1 12 4 50 1 13 4 51 1 14 5 15 ar 15 5 31 ar 16 5 52 1 17 6 16 ar 18 6 31 ar 19 6 53 1 20 7 11 ar 21 7 32 ar 22 7 54 1 23 8 12 ar 24 8 32 ar 25 8 55 1 26 9 13 ar 27 9 33 ar 28 9 56 1 29 10 14 ar 30 10 33 ar 31 10 57 1 32 11 34 ar 33 11 58 1 34 12 34 ar 35 12 59 1 36 13 35 ar 37 13 60 1 38 14 35 ar 39 14 61 1 40 15 37 ar 41 15 62 1 42 16 37 ar 43 16 63 1 44 17 21 ar 45 17 36 ar 46 17 64 1 47 18 22 ar 48 18 36 ar 49 18 65 1 50 19 23 ar 51 19 38 ar 52 19 66 1 53 20 24 ar 54 20 38 ar 55 20 67 1 56 21 41 ar 57 21 68 1 58 22 41 ar 59 22 69 1 60 23 42 ar 61 23 70 1 62 24 42 ar 63 24 71 1 64 25 26 1 65 25 27 1 66 25 72 1 67 25 73 1 68 26 28 1 69 26 74 1 70 26 75 1 71 27 32 1 72 27 76 1 73 27 77 1 74 28 33 1 75 28 78 1 76 28 79 1 77 29 34 1 78 29 41 1 79 29 80 1 80 29 81 1 81 30 35 1 82 30 42 1 83 30 82 1 84 30 83 1 85 36 39 1 86 37 40 1 87 38 40 1