@MOLECULE n-cyclopropyl-4-methyl-3-[6-(4-methyl-1-piperazinyl)-4-oxo-3(4h)-quinazolinyl]benzamide 58 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -6.3752 0.2250 -0.3254 C.3 1 UNL1 -0.1456 2 C -7.4839 -0.3638 0.5864 C.3 1 UNL1 -0.1203 3 C -8.0120 -2.4404 -0.6050 C.3 1 UNL1 -0.2830 4 C -2.6855 0.0488 0.1885 C.ar 1 UNL1 -0.1516 5 C -3.9183 0.3294 -0.4153 C.ar 1 UNL1 0.1610 6 C -3.9771 1.2885 -1.4523 C.ar 1 UNL1 -0.2040 7 C -2.8405 1.9554 -1.8689 C.ar 1 UNL1 -0.1190 8 C 3.1677 0.5189 -0.2918 C.ar 1 UNL1 -0.1149 9 C 4.4405 0.3792 0.2509 C.ar 1 UNL1 -0.1374 10 C 4.6968 0.7506 1.5701 C.ar 1 UNL1 -0.1085 11 C 5.5291 -0.1407 -0.6215 C.2 1 UNL1 0.5867 12 C 7.2594 -1.8550 -0.8801 C.3 1 UNL1 0.0737 13 C 7.3923 -3.3686 -0.8675 C.3 1 UNL1 -0.3571 14 C 8.3912 -2.5199 -0.1149 C.3 1 UNL1 -0.3593 15 N 0.8442 1.1937 -0.0802 N.ar 1 UNL1 -0.4817 16 C -0.2480 0.4243 0.4043 C.ar 1 UNL1 0.5856 17 N -7.5009 -1.8373 0.6418 N.3 1 UNL1 -0.3920 18 C -6.1560 -2.3310 0.9939 C.3 1 UNL1 -0.1228 19 C -5.0265 -1.7768 0.0913 C.3 1 UNL1 -0.1347 20 C 3.6683 1.2576 2.3569 C.ar 1 UNL1 -0.1789 21 C 2.3776 1.4111 1.8402 C.ar 1 UNL1 0.0755 22 C 1.2950 1.9535 2.7011 C.3 1 UNL1 -0.4621 23 O 5.8291 0.3566 -1.6858 O.2 1 UNL1 -0.5062 24 C 2.1421 1.0377 0.5050 C.ar 1 UNL1 0.1074 25 C -1.5369 0.7137 -0.2359 C.ar 1 UNL1 -0.1763 26 C -1.6021 1.6742 -1.2632 C.ar 1 UNL1 0.1509 27 N -0.4631 2.3558 -1.6941 N.ar 1 UNL1 -0.4372 28 C 0.6813 2.1162 -1.1250 C.ar 1 UNL1 0.2632 29 N -5.0692 -0.2955 0.1277 N.pl3 1 UNL1 -0.4098 30 O -0.0568 -0.3835 1.2829 O.2 1 UNL1 -0.4777 31 N 6.1925 -1.2518 -0.1279 N.am 1 UNL1 -0.5838 32 H -6.5873 -0.0141 -1.3880 H 1 UNL1 0.1223 33 H -6.3741 1.3326 -0.2190 H 1 UNL1 0.1502 34 H -7.3330 -0.0013 1.6308 H 1 UNL1 0.1594 35 H -8.4770 0.0058 0.2600 H 1 UNL1 0.1383 36 H -7.4171 -2.2218 -1.5032 H 1 UNL1 0.1194 37 H -8.0617 -3.5349 -0.4776 H 1 UNL1 0.1469 38 H -9.0433 -2.0885 -0.7750 H 1 UNL1 0.1458 39 H -2.6150 -0.6721 1.0081 H 1 UNL1 0.1881 40 H -4.9244 1.5067 -1.9423 H 1 UNL1 0.1600 41 H -2.8811 2.6984 -2.6676 H 1 UNL1 0.1775 42 H 2.9747 0.2267 -1.3271 H 1 UNL1 0.1816 43 H 5.7017 0.6554 1.9819 H 1 UNL1 0.1587 44 H 3.8694 1.5416 3.3894 H 1 UNL1 0.1623 45 H 5.9085 -1.6971 0.7298 H 1 UNL1 0.3138 46 H 7.4868 -1.3001 -1.8083 H 1 UNL1 0.1917 47 H 6.6800 -3.9771 -0.3196 H 1 UNL1 0.1620 48 H 7.6925 -3.8842 -1.7749 H 1 UNL1 0.1642 49 H 9.4088 -2.4256 -0.4818 H 1 UNL1 0.1636 50 H 8.3923 -2.5236 0.9701 H 1 UNL1 0.1600 51 H 1.5841 2.6551 -1.4603 H 1 UNL1 0.1976 52 H -5.9667 -2.0311 2.0519 H 1 UNL1 0.1598 53 H -6.1511 -3.4399 0.9704 H 1 UNL1 0.1403 54 H -4.0440 -2.1284 0.4750 H 1 UNL1 0.1555 55 H -5.1298 -2.1662 -0.9434 H 1 UNL1 0.1252 56 H 0.6645 2.6852 2.1746 H 1 UNL1 0.1657 57 H 0.6223 1.1380 3.0334 H 1 UNL1 0.1912 58 H 1.6714 2.4453 3.6075 H 1 UNL1 0.1584 @BOND 1 41 7 1 2 40 6 1 3 7 6 ar 4 7 26 ar 5 46 12 1 6 48 13 1 7 27 26 ar 8 27 28 ar 9 23 11 2 10 36 3 1 11 51 28 1 12 6 5 ar 13 32 1 1 14 42 8 1 15 26 25 ar 16 28 15 ar 17 55 19 1 18 12 13 1 19 12 31 1 20 12 14 1 21 13 47 1 22 13 14 1 23 38 3 1 24 11 31 am 25 11 9 1 26 3 37 1 27 3 17 1 28 49 14 1 29 5 29 1 30 5 4 ar 31 1 33 1 32 1 29 1 33 1 2 1 34 8 9 ar 35 8 24 ar 36 25 4 ar 37 25 16 ar 38 31 45 1 39 14 50 1 40 15 16 ar 41 15 24 1 42 19 29 1 43 19 54 1 44 19 18 1 45 4 39 1 46 9 10 ar 47 35 2 1 48 16 30 2 49 24 21 ar 50 2 17 1 51 2 34 1 52 17 18 1 53 53 18 1 54 18 52 1 55 10 43 1 56 10 20 ar 57 21 20 ar 58 21 22 1 59 56 22 1 60 20 44 1 61 22 57 1 62 22 58 1