@MOLECULE n'-[2-({4-[bis(4-chlorophenyl)methyl]-1-piperazinyl}methyl)-4-quinazolinyl]-n,n-dimethyl-1,3-propanediamine 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.4282 -5.1307 0.1881 Cl 1 UNL11 -0.0934 2 CL -7.5158 3.5397 -0.3321 Cl 1 UNL11 -0.0973 3 N -1.2900 1.1687 -0.1100 N.3 1 UNL11 -0.4292 4 N 1.3704 2.0878 -0.6739 N.3 1 UNL11 -0.4034 5 N 3.9501 0.5888 -1.1165 N.ar 1 UNL11 -0.5874 6 N 4.6123 2.6805 -0.1601 N.ar 1 UNL11 -0.5094 7 N 5.1491 -1.3819 -0.8264 N.pl3 1 UNL11 -0.4914 8 N 1.0408 -4.0429 -0.1427 N.3 1 UNL11 -0.3890 9 C -0.8533 2.5449 0.2541 C.3 1 UNL11 -0.1187 10 C -0.1176 0.2581 -0.0665 C.3 1 UNL11 -0.1215 11 C 0.2284 3.0309 -0.7431 C.3 1 UNL11 -0.1128 12 C 0.9085 0.7495 -1.1093 C.3 1 UNL11 -0.1293 13 C -2.3675 0.7202 0.8210 C.3 1 UNL11 0.0199 14 C 2.5297 2.5648 -1.4601 C.3 1 UNL11 -0.1129 15 C -2.6569 -0.7577 0.6510 C.ar 1 UNL11 -0.0257 16 C -3.6527 1.4642 0.5149 C.ar 1 UNL11 -0.0246 17 C 3.7769 1.9243 -0.8691 C.ar 1 UNL11 0.4159 18 C -2.9285 -1.2875 -0.6141 C.ar 1 UNL11 -0.1160 19 C -4.5607 1.6937 1.5512 C.ar 1 UNL11 -0.1498 20 C -2.6594 -1.5850 1.7752 C.ar 1 UNL11 -0.1504 21 C -3.9474 1.8825 -0.7849 C.ar 1 UNL11 -0.1197 22 C -3.1796 -2.6480 -0.7650 C.ar 1 UNL11 -0.1761 23 C -5.7698 2.3362 1.2924 C.ar 1 UNL11 -0.1663 24 C -2.9144 -2.9492 1.6403 C.ar 1 UNL11 -0.1689 25 C -5.1483 2.5331 -1.0570 C.ar 1 UNL11 -0.1719 26 C 5.0026 -0.0421 -0.5599 C.ar 1 UNL11 0.4367 27 C 5.7123 2.0722 0.3990 C.ar 1 UNL11 0.2502 28 C 5.9666 0.6847 0.2400 C.ar 1 UNL11 -0.2571 29 C -3.1586 -3.4499 0.3695 C.ar 1 UNL11 0.0226 30 C -6.0340 2.7426 -0.0083 C.ar 1 UNL11 0.0253 31 C 4.0426 -2.1375 -1.4377 C.3 1 UNL11 -0.0640 32 C 3.0230 -2.5898 -0.3779 C.3 1 UNL11 -0.3147 33 C 6.6063 2.8691 1.1705 C.ar 1 UNL11 -0.1803 34 C 7.1054 0.1189 0.8540 C.ar 1 UNL11 -0.0890 35 C 1.7371 -3.1006 -1.0556 C.3 1 UNL11 -0.1080 36 C 7.7000 2.2867 1.7562 C.ar 1 UNL11 -0.0926 37 C 7.9535 0.9021 1.5992 C.ar 1 UNL11 -0.1899 38 C -0.0268 -4.7663 -0.8682 C.3 1 UNL11 -0.2865 39 C 0.4714 -3.3494 1.0315 C.3 1 UNL11 -0.2856 40 H -1.7323 3.2209 0.1987 H 1 UNL11 0.1379 41 H -0.4471 2.6003 1.2880 H 1 UNL11 0.1329 42 H 0.3572 0.2152 0.9374 H 1 UNL11 0.1342 43 H -0.4371 -0.7705 -0.3340 H 1 UNL11 0.1369 44 H -0.2062 3.1122 -1.7613 H 1 UNL11 0.1231 45 H 0.5742 4.0410 -0.4376 H 1 UNL11 0.1385 46 H 1.7703 0.0453 -1.1371 H 1 UNL11 0.1711 47 H 0.4556 0.7539 -2.1227 H 1 UNL11 0.1264 48 H -2.0685 0.9213 1.8891 H 1 UNL11 0.1370 49 H 2.4681 2.3235 -2.5448 H 1 UNL11 0.1434 50 H 2.6182 3.6745 -1.3657 H 1 UNL11 0.1702 51 H -2.9329 -0.6258 -1.4836 H 1 UNL11 0.1768 52 H -4.3333 1.3660 2.5647 H 1 UNL11 0.1579 53 H -2.4619 -1.1731 2.7643 H 1 UNL11 0.1611 54 H -3.2254 1.7024 -1.5864 H 1 UNL11 0.1807 55 H -3.3918 -3.0643 -1.7492 H 1 UNL11 0.1729 56 H -6.4839 2.5109 2.0964 H 1 UNL11 0.1709 57 H -2.9172 -3.5983 2.5154 H 1 UNL11 0.1724 58 H -5.3793 2.8635 -2.0687 H 1 UNL11 0.1707 59 H 5.7984 -1.9184 -0.2715 H 1 UNL11 0.3054 60 H 4.4818 -3.0125 -1.9659 H 1 UNL11 0.1400 61 H 3.5462 -1.5049 -2.2138 H 1 UNL11 0.1751 62 H 3.4504 -3.3891 0.2581 H 1 UNL11 0.1598 63 H 2.7850 -1.7485 0.3014 H 1 UNL11 0.1549 64 H 6.3855 3.9321 1.2748 H 1 UNL11 0.1806 65 H 7.3143 -0.9424 0.7304 H 1 UNL11 0.1427 66 H 1.1007 -2.2451 -1.3665 H 1 UNL11 0.1159 67 H 1.9988 -3.6589 -1.9817 H 1 UNL11 0.1352 68 H 8.3920 2.8823 2.3524 H 1 UNL11 0.1537 69 H 8.8303 0.4709 2.0779 H 1 UNL11 0.1575 70 H -0.8298 -4.1234 -1.2584 H 1 UNL11 0.1220 71 H 0.4163 -5.3274 -1.7060 H 1 UNL11 0.1410 72 H -0.4761 -5.5120 -0.1908 H 1 UNL11 0.1498 73 H -0.2933 -2.5949 0.7910 H 1 UNL11 0.1220 74 H 0.0148 -4.0985 1.7000 H 1 UNL11 0.1443 75 H 1.2815 -2.8622 1.5973 H 1 UNL11 0.1474 @BOND 1 1 29 1 2 2 30 1 3 3 9 1 4 3 10 1 5 3 13 1 6 4 11 1 7 4 12 1 8 4 14 1 9 5 17 ar 10 5 26 ar 11 6 17 ar 12 6 27 ar 13 7 26 1 14 7 31 1 15 7 59 1 16 8 35 1 17 8 38 1 18 8 39 1 19 9 11 1 20 9 40 1 21 9 41 1 22 10 12 1 23 10 42 1 24 10 43 1 25 11 44 1 26 11 45 1 27 12 46 1 28 12 47 1 29 13 15 1 30 13 16 1 31 13 48 1 32 14 17 1 33 14 49 1 34 14 50 1 35 15 18 ar 36 15 20 ar 37 16 19 ar 38 16 21 ar 39 18 22 ar 40 18 51 1 41 19 23 ar 42 19 52 1 43 20 24 ar 44 20 53 1 45 21 25 ar 46 21 54 1 47 22 29 ar 48 22 55 1 49 23 30 ar 50 23 56 1 51 24 29 ar 52 24 57 1 53 25 30 ar 54 25 58 1 55 26 28 ar 56 27 28 ar 57 27 33 ar 58 28 34 ar 59 31 32 1 60 31 60 1 61 31 61 1 62 32 35 1 63 32 62 1 64 32 63 1 65 33 36 ar 66 33 64 1 67 34 37 ar 68 34 65 1 69 35 66 1 70 35 67 1 71 36 37 ar 72 36 68 1 73 37 69 1 74 38 70 1 75 38 71 1 76 38 72 1 77 39 73 1 78 39 74 1 79 39 75 1