@MOLECULE 3-{1-[6,7-diethoxy-2-(4-morpholinyl)-4-quinazolinyl]-4-piperidinyl}-1,6-dimethyl-2,4(1h,3h)-quinazolinedione 80 85 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3053 -0.7281 0.8968 O.2 1 UNL1 -0.4775 2 O 4.2266 2.7789 -1.8724 O.2 1 UNL1 -0.5202 3 O -6.0661 5.2837 0.9104 O.3 1 UNL1 -0.3876 4 O -2.0404 -4.2596 -0.2788 O.3 1 UNL1 -0.3012 5 O -4.5544 -4.2232 -0.3086 O.3 1 UNL1 -0.2913 6 N -0.5089 0.7725 -0.1840 N.3 1 UNL1 -0.4168 7 N 3.7131 1.0073 -0.5135 N.ar 1 UNL1 -0.5591 8 N 5.9857 1.6703 -0.9518 N.ar 1 UNL1 -0.4445 9 N -2.5986 1.8171 0.1079 N.2 1 UNL1 -0.6184 10 N -4.6738 2.9173 0.3465 N.pl3 1 UNL1 -0.3809 11 N -4.6757 0.5707 0.1577 N.pl3 1 UNL1 -0.5706 12 C 2.2632 1.2766 -0.7243 C.3 1 UNL1 0.1194 13 C 1.5486 0.0309 -1.2830 C.3 1 UNL1 -0.3124 14 C 1.6005 1.7155 0.5948 C.3 1 UNL1 -0.3202 15 C 0.0643 0.3727 -1.4930 C.3 1 UNL1 -0.0760 16 C 0.1121 2.0115 0.3379 C.3 1 UNL1 -0.0710 17 C -1.9099 0.6859 -0.1030 C.3 1 UNL1 0.4490 18 C 4.1290 -0.0375 0.3410 C.ar 1 UNL1 0.6082 19 C 4.6090 1.8744 -1.1565 C.ar 1 UNL1 0.7045 20 C -2.5563 -0.5941 -0.1422 C.ar 1 UNL1 -0.2683 21 C 5.5762 -0.2151 0.4878 C.ar 1 UNL1 -0.2704 22 C 6.4851 0.6393 -0.1599 C.ar 1 UNL1 0.2614 23 C -3.9718 -0.5832 -0.0401 C.ar 1 UNL1 0.3043 24 C -3.9750 1.7259 0.2413 C.cat 1 UNL1 0.5305 25 C 6.0411 -1.2608 1.2932 C.ar 1 UNL1 -0.0441 26 C -1.8659 -1.8330 -0.1930 C.ar 1 UNL1 -0.1871 27 C 6.9049 2.6062 -1.6117 C.3 1 UNL1 -0.2237 28 C 7.8691 0.4278 0.0102 C.ar 1 UNL1 -0.2660 29 C -3.9401 4.1197 0.7837 C.3 1 UNL1 -0.1186 30 C -6.0583 2.8551 0.8534 C.3 1 UNL1 -0.1198 31 C 7.4040 -1.4673 1.4575 C.ar 1 UNL1 -0.0439 32 C -4.6964 -1.8098 -0.1155 C.ar 1 UNL1 -0.3503 33 C -2.5647 -3.0068 -0.2286 C.ar 1 UNL1 0.1135 34 C 8.3100 -0.6137 0.8086 C.ar 1 UNL1 -0.0701 35 C -4.7610 5.3533 0.3667 C.3 1 UNL1 -0.0505 36 C -6.7779 4.1521 0.4440 C.3 1 UNL1 -0.0519 37 C -4.0115 -2.9924 -0.2200 C.ar 1 UNL1 0.2512 38 C 7.9072 -2.5901 2.2968 C.3 1 UNL1 -0.4409 39 C -0.6201 -4.3563 -0.1014 C.3 1 UNL1 -0.0257 40 C -5.9889 -4.3015 -0.3110 C.3 1 UNL1 -0.0325 41 C -0.3827 -5.8591 -0.0443 C.3 1 UNL1 -0.4633 42 C -6.2468 -5.7935 -0.4601 C.3 1 UNL1 -0.4583 43 H 2.1731 2.1133 -1.4752 H 1 UNL1 0.1664 44 H 1.6382 -0.8198 -0.5736 H 1 UNL1 0.1873 45 H 2.0080 -0.2980 -2.2298 H 1 UNL1 0.1457 46 H 1.6933 0.9122 1.3572 H 1 UNL1 0.1848 47 H 2.1008 2.6047 1.0124 H 1 UNL1 0.1447 48 H -0.0489 1.1854 -2.2456 H 1 UNL1 0.1305 49 H -0.4816 -0.5096 -1.8944 H 1 UNL1 0.1545 50 H -0.0170 2.8711 -0.3540 H 1 UNL1 0.1343 51 H -0.3905 2.2932 1.2912 H 1 UNL1 0.1584 52 H 5.3104 -1.9098 1.7885 H 1 UNL1 0.1802 53 H -0.7760 -1.8133 -0.1626 H 1 UNL1 0.1822 54 H 6.3432 3.3863 -2.1682 H 1 UNL1 0.1884 55 H 7.5360 3.1215 -0.8663 H 1 UNL1 0.1507 56 H 7.5444 2.0756 -2.3386 H 1 UNL1 0.1505 57 H 8.5927 1.0722 -0.4810 H 1 UNL1 0.1678 58 H -3.7777 4.1106 1.8836 H 1 UNL1 0.1412 59 H -2.9347 4.1466 0.3001 H 1 UNL1 0.1766 60 H -6.5790 1.9690 0.4150 H 1 UNL1 0.1825 61 H -6.0728 2.7287 1.9579 H 1 UNL1 0.1413 62 H -5.7805 -1.7517 -0.0757 H 1 UNL1 0.1898 63 H 9.3816 -0.7760 0.9368 H 1 UNL1 0.1535 64 H -4.3568 6.2819 0.8060 H 1 UNL1 0.1389 65 H -4.8187 5.4519 -0.7317 H 1 UNL1 0.1312 66 H -6.9069 4.2187 -0.6507 H 1 UNL1 0.1311 67 H -7.7569 4.2514 0.9446 H 1 UNL1 0.1394 68 H 8.1958 -3.4499 1.6725 H 1 UNL1 0.1597 69 H 7.1540 -2.9512 3.0117 H 1 UNL1 0.1593 70 H 8.7899 -2.3049 2.8859 H 1 UNL1 0.1548 71 H -0.3246 -3.8512 0.8357 H 1 UNL1 0.1341 72 H -0.1193 -3.8850 -0.9650 H 1 UNL1 0.1259 73 H -6.3849 -3.7180 -1.1605 H 1 UNL1 0.1323 74 H -6.3730 -3.8989 0.6427 H 1 UNL1 0.1324 75 H 0.6824 -6.0898 0.0568 H 1 UNL1 0.1502 76 H -0.7562 -6.3547 -0.9503 H 1 UNL1 0.1582 77 H -0.9132 -6.3124 0.8037 H 1 UNL1 0.1590 78 H -5.8386 -6.1756 -1.4055 H 1 UNL1 0.1601 79 H -5.7617 -6.3622 0.3453 H 1 UNL1 0.1617 80 H -7.3182 -6.0166 -0.4365 H 1 UNL1 0.1513 @BOND 1 56 27 1 2 48 15 1 3 45 13 1 4 54 27 1 5 49 15 1 6 2 19 2 7 27 8 1 8 27 55 1 9 15 13 1 10 15 6 1 11 43 12 1 12 78 42 1 13 13 12 1 14 13 44 1 15 73 40 1 16 19 8 ar 17 19 7 ar 18 72 39 1 19 8 22 ar 20 76 41 1 21 65 35 1 22 12 7 1 23 12 14 1 24 66 36 1 25 7 18 ar 26 57 28 1 27 42 80 1 28 42 40 1 29 42 79 1 30 50 16 1 31 40 5 1 32 40 74 1 33 5 37 1 34 4 33 1 35 4 39 1 36 33 37 ar 37 33 26 ar 38 37 32 ar 39 26 53 1 40 26 20 ar 41 6 17 1 42 6 16 1 43 22 28 ar 44 22 21 ar 45 20 17 1 46 20 23 ar 47 32 62 1 48 32 23 ar 49 17 9 1 50 39 41 1 51 39 71 1 52 41 75 1 53 41 77 1 54 23 11 1 55 28 34 ar 56 9 24 2 57 11 24 1 58 24 10 1 59 59 29 1 60 16 14 1 61 16 51 1 62 18 21 ar 63 18 1 2 64 10 29 1 65 10 30 1 66 35 29 1 67 35 64 1 68 35 3 1 69 60 30 1 70 36 30 1 71 36 3 1 72 36 67 1 73 21 25 ar 74 14 47 1 75 14 46 1 76 29 58 1 77 34 63 1 78 34 31 ar 79 30 61 1 80 25 31 ar 81 25 52 1 82 31 38 1 83 68 38 1 84 38 70 1 85 38 69 1