@MOLECULE n-[1-(cyclohexylmethyl)-4-piperidyl]-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-amine 107 112 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2636 1.1453 -0.2946 O.3 1 UNL1111111111 -0.3233 2 O 2.3586 3.0967 -0.0145 O.3 1 UNL1111111111 -0.3085 3 N -5.1372 2.2299 0.6586 N.3 1 UNL1111111111 -0.4385 4 N -1.8788 0.7199 1.5746 N.pl3 1 UNL1111111111 -0.5173 5 N -0.5881 -3.7784 1.5950 N.pl3 1 UNL1111111111 -0.3742 6 N -2.1849 -4.3131 -0.8333 N.3 1 UNL1111111111 -0.4629 7 N -1.2510 -1.5167 1.4756 N.ar 1 UNL1111111111 -0.6341 8 N 8.9928 1.0238 -0.3602 N.3 1 UNL1111111111 -0.4288 9 N 0.9925 -2.1938 0.8501 N.ar 1 UNL1111111111 -0.5939 10 C -6.9934 2.9725 -0.7879 C.3 1 UNL1111111111 -0.0970 11 C -5.6649 3.3842 -0.1079 C.3 1 UNL1111111111 -0.1418 12 C -7.4637 4.1017 -1.7211 C.3 1 UNL1111111111 -0.2846 13 C -8.0692 2.6776 0.2701 C.3 1 UNL1111111111 -0.2715 14 C -9.3880 2.2851 -0.4060 C.3 1 UNL1111111111 -0.2639 15 C -8.7833 3.7080 -2.3993 C.3 1 UNL1111111111 -0.2586 16 C -4.3795 1.2978 -0.2108 C.3 1 UNL1111111111 -0.1039 17 C -4.2946 2.6736 1.7948 C.3 1 UNL1111111111 -0.1054 18 C -3.2681 0.3254 1.8710 C.3 1 UNL1111111111 0.1130 19 C -9.8600 3.4000 -1.3497 C.3 1 UNL1111111111 -0.2636 20 C -4.0623 0.0223 0.5852 C.3 1 UNL1111111111 -0.3105 21 C -3.9461 1.4555 2.6689 C.3 1 UNL1111111111 -0.3131 22 C -0.9201 -0.2230 1.2941 C.ar 1 UNL1111111111 0.4769 23 C 0.4018 0.1746 0.8734 C.ar 1 UNL1111111111 -0.3206 24 C -2.0104 -4.1334 1.7011 C.3 1 UNL1111111111 -0.0792 25 C -2.8607 -3.9254 0.4225 C.3 1 UNL1111111111 -0.1389 26 C 0.2835 -4.8475 1.0723 C.3 1 UNL1111111111 -0.0692 27 C -1.3817 -5.5475 -0.7361 C.3 1 UNL1111111111 -0.0926 28 C 0.0712 -5.1381 -0.4193 C.3 1 UNL1111111111 -0.3157 29 C -0.2721 -2.4696 1.2583 C.ar 1 UNL1111111111 0.5809 30 C -3.1269 -4.2750 -1.9753 C.3 1 UNL1111111111 0.1058 31 C 1.3291 -0.8844 0.6703 C.ar 1 UNL1111111111 0.3294 32 C 10.1033 0.3805 0.3849 C.3 1 UNL1111111111 -0.1088 33 C 9.4411 1.4540 -1.7075 C.3 1 UNL1111111111 -0.1081 34 C 11.2465 1.3959 0.5740 C.3 1 UNL1111111111 -0.2739 35 C 10.5672 2.4945 -1.5639 C.3 1 UNL1111111111 -0.2746 36 C 11.7449 1.8976 -0.7856 C.3 1 UNL1111111111 -0.2630 37 C 0.8124 1.5106 0.6717 C.ar 1 UNL1111111111 -0.1106 38 C 7.8160 0.1237 -0.4509 C.3 1 UNL1111111111 -0.1158 39 C 2.6631 -0.5871 0.2643 C.ar 1 UNL1111111111 -0.3527 40 C 6.5583 1.0045 -0.5641 C.3 1 UNL1111111111 -0.3025 41 C -2.3192 -4.1764 -3.2811 C.3 1 UNL1111111111 -0.4612 42 C -4.1088 -5.4617 -2.0419 C.3 1 UNL1111111111 -0.5052 43 C 2.0959 1.7860 0.2699 C.ar 1 UNL1111111111 0.0762 44 C 3.0354 0.7198 0.0743 C.ar 1 UNL1111111111 0.2437 45 C 5.3023 0.1582 -0.3664 C.3 1 UNL1111111111 -0.0466 46 C 3.6071 3.5842 0.4684 C.3 1 UNL1111111111 -0.1974 47 H -6.8254 2.0494 -1.3904 H 1 UNL1111111111 0.1372 48 H -5.8616 4.2318 0.5825 H 1 UNL1111111111 0.1358 49 H -4.9471 3.7570 -0.8684 H 1 UNL1111111111 0.1176 50 H -8.2192 3.5560 0.9216 H 1 UNL1111111111 0.1327 51 H -7.7154 1.8651 0.9352 H 1 UNL1111111111 0.1530 52 H -6.6952 4.3141 -2.4855 H 1 UNL1111111111 0.1300 53 H -7.5998 5.0369 -1.1484 H 1 UNL1111111111 0.1371 54 H -10.1589 2.0805 0.3580 H 1 UNL1111111111 0.1273 55 H -9.2564 1.3429 -0.9693 H 1 UNL1111111111 0.1338 56 H -8.6255 2.8255 -3.0467 H 1 UNL1111111111 0.1346 57 H -9.1235 4.5208 -3.0656 H 1 UNL1111111111 0.1273 58 H -3.4474 1.7460 -0.6160 H 1 UNL1111111111 0.1138 59 H -4.8803 3.3993 2.4014 H 1 UNL1111111111 0.1343 60 H -3.3727 3.1994 1.4694 H 1 UNL1111111111 0.1082 61 H -5.0146 1.0376 -1.0859 H 1 UNL1111111111 0.1366 62 H -3.2326 -0.6052 2.5063 H 1 UNL1111111111 0.1670 63 H -10.0896 4.3117 -0.7679 H 1 UNL1111111111 0.1342 64 H -10.8024 3.1065 -1.8453 H 1 UNL1111111111 0.1256 65 H -4.8776 1.0545 3.1163 H 1 UNL1111111111 0.1572 66 H -5.0086 -0.4821 0.8619 H 1 UNL1111111111 0.1560 67 H -3.4991 -0.6902 -0.0484 H 1 UNL1111111111 0.1589 68 H -3.3051 1.7687 3.5134 H 1 UNL1111111111 0.1488 69 H -1.7444 1.6613 1.2375 H 1 UNL1111111111 0.3079 70 H -2.4526 -3.5022 2.5139 H 1 UNL1111111111 0.1638 71 H -2.0762 -5.1893 2.0405 H 1 UNL1111111111 0.1324 72 H -3.0758 -2.8300 0.3254 H 1 UNL1111111111 0.1674 73 H -3.8326 -4.4436 0.5679 H 1 UNL1111111111 0.1112 74 H 0.1014 -5.7577 1.6839 H 1 UNL1111111111 0.1302 75 H 1.3477 -4.5470 1.2478 H 1 UNL1111111111 0.1727 76 H -1.3960 -6.0958 -1.7025 H 1 UNL1111111111 0.1288 77 H -1.7668 -6.2561 0.0239 H 1 UNL1111111111 0.1120 78 H 0.3259 -4.2255 -1.0046 H 1 UNL1111111111 0.1833 79 H 0.7696 -5.9233 -0.7521 H 1 UNL1111111111 0.1347 80 H -3.7223 -3.3263 -1.8665 H 1 UNL1111111111 0.1345 81 H 8.5738 1.9159 -2.2278 H 1 UNL1111111111 0.1363 82 H 9.7867 0.6051 -2.3347 H 1 UNL1111111111 0.1102 83 H 10.4856 -0.5319 -0.1188 H 1 UNL1111111111 0.1101 84 H 9.7168 0.0735 1.3816 H 1 UNL1111111111 0.1338 85 H 10.1780 3.3843 -1.0308 H 1 UNL1111111111 0.1518 86 H 10.8893 2.8399 -2.5610 H 1 UNL1111111111 0.1312 87 H 12.0683 0.9345 1.1476 H 1 UNL1111111111 0.1308 88 H 10.8802 2.2498 1.1776 H 1 UNL1111111111 0.1519 89 H 12.5384 2.6541 -0.6486 H 1 UNL1111111111 0.1337 90 H 12.2042 1.0704 -1.3567 H 1 UNL1111111111 0.1332 91 H 0.1204 2.3358 0.8321 H 1 UNL1111111111 0.1588 92 H 7.7531 -0.4917 0.4736 H 1 UNL1111111111 0.1366 93 H 7.8742 -0.5861 -1.3017 H 1 UNL1111111111 0.1156 94 H 3.3375 -1.4257 0.1154 H 1 UNL1111111111 0.1895 95 H 6.5264 1.5287 -1.5365 H 1 UNL1111111111 0.1520 96 H 6.6039 1.8123 0.1977 H 1 UNL1111111111 0.1736 97 H -2.9616 -3.8868 -4.1170 H 1 UNL1111111111 0.1414 98 H -1.5286 -3.4184 -3.1797 H 1 UNL1111111111 0.1677 99 H -1.8318 -5.1193 -3.5423 H 1 UNL1111111111 0.1413 100 H -4.8149 -5.3347 -2.8684 H 1 UNL1111111111 0.1497 101 H -4.6898 -5.5531 -1.1196 H 1 UNL1111111111 0.1434 102 H -3.5897 -6.4111 -2.2007 H 1 UNL1111111111 0.1462 103 H 5.0961 -0.5082 -1.2209 H 1 UNL1111111111 0.1332 104 H 5.3308 -0.4215 0.5732 H 1 UNL1111111111 0.1350 105 H 4.3852 3.3721 -0.2751 H 1 UNL1111111111 0.1428 106 H 3.4307 4.6631 0.5479 H 1 UNL1111111111 0.1364 107 H 3.8733 3.1625 1.4400 H 1 UNL1111111111 0.1341 @BOND 1 1 44 1 2 1 45 1 3 2 43 1 4 2 46 1 5 3 11 1 6 3 16 1 7 3 17 1 8 4 18 1 9 4 22 1 10 4 69 1 11 5 24 1 12 5 26 1 13 5 29 1 14 6 25 1 15 6 27 1 16 6 30 1 17 7 22 ar 18 7 29 ar 19 8 32 1 20 8 33 1 21 8 38 1 22 9 29 ar 23 9 31 ar 24 10 11 1 25 10 12 1 26 10 13 1 27 10 47 1 28 11 48 1 29 11 49 1 30 12 15 1 31 12 52 1 32 12 53 1 33 13 14 1 34 13 50 1 35 13 51 1 36 14 19 1 37 14 54 1 38 14 55 1 39 15 19 1 40 15 56 1 41 15 57 1 42 16 20 1 43 16 58 1 44 16 61 1 45 17 21 1 46 17 59 1 47 17 60 1 48 18 20 1 49 18 21 1 50 18 62 1 51 19 63 1 52 19 64 1 53 20 66 1 54 20 67 1 55 21 65 1 56 21 68 1 57 22 23 ar 58 23 31 ar 59 23 37 ar 60 24 25 1 61 24 70 1 62 24 71 1 63 25 72 1 64 25 73 1 65 26 28 1 66 26 74 1 67 26 75 1 68 27 28 1 69 27 76 1 70 27 77 1 71 28 78 1 72 28 79 1 73 30 41 1 74 30 42 1 75 30 80 1 76 31 39 ar 77 32 34 1 78 32 83 1 79 32 84 1 80 33 35 1 81 33 81 1 82 33 82 1 83 34 36 1 84 34 87 1 85 34 88 1 86 35 36 1 87 35 85 1 88 35 86 1 89 36 89 1 90 36 90 1 91 37 43 ar 92 37 91 1 93 38 40 1 94 38 92 1 95 38 93 1 96 39 44 ar 97 39 94 1 98 40 45 1 99 40 95 1 100 40 96 1 101 41 97 1 102 41 98 1 103 41 99 1 104 42 100 1 105 42 101 1 106 42 102 1 107 43 44 ar 108 45 103 1 109 45 104 1 110 46 105 1 111 46 106 1 112 46 107 1