@MOLECULE 7-[(5-aminopentyl)oxy]-n~4~-(1-benzyl-4-piperidinyl)-n~2~-[3-(dimethylamino)propyl]-6-methoxy-2,4-quinazolinediamine 87 90 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.8609 -0.6967 0.8264 N.ar 1 UNL1111111111 -0.6418 2 C -0.1483 -1.6167 0.5995 C.ar 1 UNL1111111111 0.5618 3 N -1.4540 -1.3178 0.3900 N.ar 1 UNL1111111111 -0.5933 4 C -1.7905 0.0060 0.3768 C.ar 1 UNL1111111111 0.3226 5 C -0.8390 1.0376 0.5875 C.ar 1 UNL1111111111 -0.3107 6 C 0.5194 0.6075 0.8216 C.ar 1 UNL1111111111 0.4756 7 C -3.5430 1.6538 0.1385 C.ar 1 UNL1111111111 0.2537 8 C -2.5741 2.7019 0.3599 C.ar 1 UNL1111111111 0.1018 9 C -1.2596 2.3916 0.5767 C.ar 1 UNL1111111111 -0.1825 10 C -3.1590 0.3390 0.1469 C.ar 1 UNL1111111111 -0.3502 11 O -4.7950 2.1160 -0.0631 O.3 1 UNL1111111111 -0.2960 12 O -3.1244 3.9490 0.3300 O.3 1 UNL1111111111 -0.2683 13 C -2.2272 5.0346 0.5177 C.3 1 UNL1111111111 -0.2137 14 N 1.5076 1.5192 1.1067 N.pl3 1 UNL1111111111 -0.5229 15 C 2.9114 1.0945 1.2494 C.3 1 UNL1111111111 0.1118 16 C 3.6639 2.1742 2.0518 C.3 1 UNL1111111111 -0.3114 17 C 5.1385 1.7602 2.1955 C.3 1 UNL1111111111 -0.1069 18 N 5.7399 1.6180 0.8446 N.3 1 UNL1111111111 -0.4232 19 C 5.0593 0.5444 0.0760 C.3 1 UNL1111111111 -0.1095 20 C 3.5840 0.9208 -0.1268 C.3 1 UNL1111111111 -0.3150 21 N 0.2691 -2.9221 0.5352 N.pl3 1 UNL1111111111 -0.4987 22 C -0.7298 -4.0001 0.4913 C.3 1 UNL1111111111 -0.0608 23 C -0.0216 -5.3241 0.1780 C.3 1 UNL1111111111 -0.3081 24 C -1.0639 -6.4466 0.0158 C.3 1 UNL1111111111 -0.1139 25 N -0.3561 -7.7518 0.0395 N.3 1 UNL1111111111 -0.3898 26 C -1.2849 -8.8447 0.4001 C.3 1 UNL1111111111 -0.2836 27 C 0.2893 -8.0368 -1.2597 C.3 1 UNL1111111111 -0.2825 28 C -5.8156 1.1314 -0.2864 C.3 1 UNL1111111111 -0.0520 29 C -7.0785 1.9795 -0.4435 C.3 1 UNL1111111111 -0.2902 30 C -8.2918 1.0734 -0.6709 C.3 1 UNL1111111111 -0.2696 31 C -9.5572 1.9155 -0.8598 C.3 1 UNL1111111111 -0.2815 32 C -10.7775 1.0090 -1.0992 C.3 1 UNL1111111111 -0.1037 33 N -11.9585 1.8573 -1.3802 N.3 1 UNL1111111111 -0.6492 34 C 7.1963 1.3450 0.9633 C.3 1 UNL1111111111 -0.1375 35 C 7.8577 1.3990 -0.3891 C.ar 1 UNL1111111111 -0.0062 36 C 7.5241 2.4077 -1.2954 C.ar 1 UNL1111111111 -0.1449 37 C 8.1484 2.4613 -2.5383 C.ar 1 UNL1111111111 -0.1463 38 C 9.1146 1.5144 -2.8760 C.ar 1 UNL1111111111 -0.1583 39 C 9.4528 0.5122 -1.9692 C.ar 1 UNL1111111111 -0.1407 40 C 8.8247 0.4514 -0.7265 C.ar 1 UNL1111111111 -0.1830 41 H -0.5276 3.1743 0.7519 H 1 UNL1111111111 0.1543 42 H -3.8497 -0.4848 -0.0140 H 1 UNL1111111111 0.1916 43 H -1.7558 4.9922 1.5043 H 1 UNL1111111111 0.1330 44 H -1.4849 5.0748 -0.2851 H 1 UNL1111111111 0.1325 45 H -2.9022 5.8989 0.4562 H 1 UNL1111111111 0.1493 46 H 1.3500 2.4887 0.8764 H 1 UNL1111111111 0.3079 47 H 2.9301 0.1170 1.8052 H 1 UNL1111111111 0.1686 48 H 3.6048 3.1531 1.5391 H 1 UNL1111111111 0.1525 49 H 3.2067 2.3071 3.0484 H 1 UNL1111111111 0.1471 50 H 5.6925 2.5565 2.7390 H 1 UNL1111111111 0.1351 51 H 5.2182 0.8330 2.8023 H 1 UNL1111111111 0.1167 52 H 5.5608 0.4588 -0.9145 H 1 UNL1111111111 0.1475 53 H 5.1390 -0.4500 0.5647 H 1 UNL1111111111 0.1192 54 H 3.0663 0.1320 -0.7064 H 1 UNL1111111111 0.1626 55 H 3.5091 1.8506 -0.7190 H 1 UNL1111111111 0.1522 56 H 1.2020 -3.1442 0.8525 H 1 UNL1111111111 0.3223 57 H -1.2844 -4.0566 1.4559 H 1 UNL1111111111 0.1391 58 H -1.4883 -3.7545 -0.2930 H 1 UNL1111111111 0.1696 59 H 0.5873 -5.2269 -0.7405 H 1 UNL1111111111 0.1520 60 H 0.6872 -5.5978 0.9849 H 1 UNL1111111111 0.1603 61 H -1.7778 -6.4127 0.8681 H 1 UNL1111111111 0.1377 62 H -1.6607 -6.2912 -0.9067 H 1 UNL1111111111 0.1177 63 H -2.1291 -8.9757 -0.2920 H 1 UNL1111111111 0.1178 64 H -0.7231 -9.7925 0.4465 H 1 UNL1111111111 0.1451 65 H -1.6825 -8.6588 1.4118 H 1 UNL1111111111 0.1456 66 H 1.0269 -7.2467 -1.4774 H 1 UNL1111111111 0.1474 67 H 0.8466 -8.9849 -1.1833 H 1 UNL1111111111 0.1434 68 H -0.4047 -8.1091 -2.1097 H 1 UNL1111111111 0.1183 69 H -5.5748 0.5604 -1.1996 H 1 UNL1111111111 0.1341 70 H -5.8692 0.4561 0.5850 H 1 UNL1111111111 0.1337 71 H -7.2220 2.6127 0.4543 H 1 UNL1111111111 0.1555 72 H -6.9545 2.6906 -1.2841 H 1 UNL1111111111 0.1569 73 H -8.1284 0.4334 -1.5596 H 1 UNL1111111111 0.1398 74 H -8.4191 0.3837 0.1851 H 1 UNL1111111111 0.1368 75 H -9.7266 2.5624 0.0201 H 1 UNL1111111111 0.1390 76 H -9.4413 2.6057 -1.7200 H 1 UNL1111111111 0.1599 77 H -10.6046 0.3667 -1.9913 H 1 UNL1111111111 0.1401 78 H -10.9292 0.3308 -0.2333 H 1 UNL1111111111 0.1051 79 H -12.7786 1.3062 -1.5682 H 1 UNL1111111111 0.2462 80 H -12.1569 2.4881 -0.6222 H 1 UNL1111111111 0.2459 81 H 7.6440 2.1438 1.6039 H 1 UNL1111111111 0.1525 82 H 7.4072 0.3777 1.4717 H 1 UNL1111111111 0.1240 83 H 6.7626 3.1406 -1.0229 H 1 UNL1111111111 0.1717 84 H 7.8814 3.2432 -3.2460 H 1 UNL1111111111 0.1486 85 H 9.6032 1.5581 -3.8463 H 1 UNL1111111111 0.1469 86 H 10.2072 -0.2265 -2.2310 H 1 UNL1111111111 0.1469 87 H 9.0902 -0.3362 -0.0257 H 1 UNL1111111111 0.1488 @BOND 1 1 2 ar 2 2 21 1 3 3 2 ar 4 4 3 ar 5 5 4 ar 6 5 6 ar 7 6 1 ar 8 7 10 ar 9 8 7 ar 10 8 9 ar 11 9 5 ar 12 9 41 1 13 10 4 ar 14 10 42 1 15 11 7 1 16 11 28 1 17 12 8 1 18 13 12 1 19 13 43 1 20 13 44 1 21 13 45 1 22 14 6 1 23 14 15 1 24 14 46 1 25 15 47 1 26 16 15 1 27 16 17 1 28 16 48 1 29 16 49 1 30 17 50 1 31 17 51 1 32 18 17 1 33 18 34 1 34 18 19 1 35 19 52 1 36 19 53 1 37 20 15 1 38 20 19 1 39 20 54 1 40 20 55 1 41 21 22 1 42 21 56 1 43 22 23 1 44 22 57 1 45 22 58 1 46 23 24 1 47 23 59 1 48 23 60 1 49 24 25 1 50 24 61 1 51 24 62 1 52 25 27 1 53 25 26 1 54 26 63 1 55 26 64 1 56 26 65 1 57 27 66 1 58 27 67 1 59 27 68 1 60 28 69 1 61 28 70 1 62 29 28 1 63 29 71 1 64 29 72 1 65 30 29 1 66 30 73 1 67 30 74 1 68 31 30 1 69 31 75 1 70 31 76 1 71 32 31 1 72 32 77 1 73 32 78 1 74 33 32 1 75 33 79 1 76 33 80 1 77 34 81 1 78 34 82 1 79 35 34 1 80 35 36 ar 81 36 83 1 82 37 36 ar 83 37 84 1 84 38 37 ar 85 38 85 1 86 39 38 ar 87 39 40 ar 88 39 86 1 89 40 35 ar 90 40 87 1