@MOLECULE n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)-6-quinazolinyl]benzamide 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1382 5.1593 -0.4218 C.ar 1 UNL1111111111 -0.2025 2 C 1.0405 4.4482 -0.2143 C.ar 1 UNL1111111111 -0.0673 3 C 0.9829 3.0916 0.1047 C.ar 1 UNL1111111111 -0.1662 4 C 2.2541 2.3571 0.3320 C.2 1 UNL1111111111 0.5900 5 N 2.2410 1.0376 -0.1213 N.am 1 UNL1111111111 -0.5817 6 C 3.3100 0.1301 0.0550 C.ar 1 UNL1111111111 0.1246 7 C 2.9907 -1.2312 0.3124 C.ar 1 UNL1111111111 0.1690 8 C 4.0038 -2.1894 0.3303 C.ar 1 UNL1111111111 -0.1683 9 C 5.3327 -1.8001 0.1734 C.ar 1 UNL1111111111 -0.0962 10 C 5.6454 -0.4540 0.0034 C.ar 1 UNL1111111111 -0.1374 11 C 4.6446 0.5164 -0.0623 C.ar 1 UNL1111111111 -0.1151 12 C 7.0680 0.0045 -0.1349 C.3 1 UNL1111111111 0.5561 13 F 7.9933 -0.9535 -0.0820 F 1 UNL1111111111 -0.2059 14 F 7.3179 0.6310 -1.2865 F 1 UNL1111111111 -0.2051 15 F 7.4462 0.8718 0.8049 F 1 UNL1111111111 -0.1994 16 O 3.2271 2.8282 0.8729 O.2 1 UNL1111111111 -0.4804 17 C -0.2498 2.4547 0.2355 C.ar 1 UNL1111111111 -0.1091 18 C -1.4286 3.1636 0.0108 C.ar 1 UNL1111111111 -0.0611 19 C -1.3800 4.5265 -0.3165 C.ar 1 UNL1111111111 0.0850 20 C -2.6364 5.2874 -0.5556 C.3 1 UNL1111111111 -0.4591 21 N 1.6350 -1.5658 0.5573 N.am 1 UNL1111111111 -0.6241 22 C 0.9974 -2.6413 -0.0784 C.2 1 UNL1111111111 0.5864 23 C -0.4933 -2.7186 0.2507 C.3 1 UNL1111111111 -0.1985 24 N -0.9298 -4.1267 0.1656 N.3 1 UNL1111111111 -0.4070 25 C -1.1538 -4.5249 -1.2488 C.3 1 UNL1111111111 -0.1016 26 C -2.1342 -4.3556 1.0050 C.3 1 UNL1111111111 -0.0928 27 C -1.1749 -6.0536 -1.3596 C.3 1 UNL1111111111 -0.4435 28 C -1.7145 -4.4837 2.4752 C.3 1 UNL1111111111 -0.4460 29 N -5.9549 -0.6646 -1.6087 N.ar 1 UNL1111111111 -0.4947 30 C -4.8355 0.0097 -1.7642 C.ar 1 UNL1111111111 0.1630 31 C -4.3233 0.8874 -0.7581 C.ar 1 UNL1111111111 -0.2659 32 C -5.0831 1.0000 0.4369 C.ar 1 UNL1111111111 0.2703 33 N -6.2451 0.3037 0.6150 N.ar 1 UNL1111111111 -0.5534 34 C -6.6557 -0.4847 -0.4044 C.ar 1 UNL1111111111 0.5078 35 C -3.1239 1.6203 -0.8980 C.ar 1 UNL1111111111 -0.0776 36 C -2.6979 2.4353 0.1229 C.ar 1 UNL1111111111 -0.0688 37 C -3.4579 2.5547 1.3197 C.ar 1 UNL1111111111 -0.0865 38 C -4.6227 1.8569 1.4835 C.ar 1 UNL1111111111 -0.1985 39 N -7.8496 -1.1409 -0.3389 N.pl3 1 UNL1111111111 -0.4588 40 C -8.6115 -1.1817 0.9080 C.3 1 UNL1111111111 -0.2247 41 O 1.5990 -3.3237 -0.8662 O.2 1 UNL1111111111 -0.4678 42 H -0.0900 6.2188 -0.6690 H 1 UNL1111111111 0.1622 43 H 2.0104 4.9461 -0.2929 H 1 UNL1111111111 0.1726 44 H 1.4390 0.6785 -0.6300 H 1 UNL1111111111 0.3225 45 H 3.7487 -3.2437 0.4656 H 1 UNL1111111111 0.1885 46 H 6.1095 -2.5671 0.1939 H 1 UNL1111111111 0.1738 47 H 4.8897 1.5746 -0.2102 H 1 UNL1111111111 0.2004 48 H -0.3112 1.4069 0.5285 H 1 UNL1111111111 0.1554 49 H -3.1764 4.8960 -1.4333 H 1 UNL1111111111 0.1705 50 H -3.3289 5.2051 0.2975 H 1 UNL1111111111 0.1691 51 H -2.4660 6.3575 -0.7316 H 1 UNL1111111111 0.1575 52 H 1.1617 -1.0125 1.2605 H 1 UNL1111111111 0.3202 53 H -1.0392 -2.0376 -0.4430 H 1 UNL1111111111 0.1458 54 H -0.6822 -2.3412 1.2825 H 1 UNL1111111111 0.1623 55 H -2.0828 -4.0900 -1.6725 H 1 UNL1111111111 0.1095 56 H -0.3000 -4.1408 -1.8581 H 1 UNL1111111111 0.1617 57 H -2.9026 -3.5633 0.8851 H 1 UNL1111111111 0.1124 58 H -2.6121 -5.3079 0.6822 H 1 UNL1111111111 0.1422 59 H -0.3345 -6.4884 -0.7976 H 1 UNL1111111111 0.1677 60 H -2.0954 -6.4893 -0.9630 H 1 UNL1111111111 0.1371 61 H -1.0721 -6.3689 -2.4028 H 1 UNL1111111111 0.1444 62 H -0.8447 -5.1505 2.5686 H 1 UNL1111111111 0.1652 63 H -1.4344 -3.5227 2.9144 H 1 UNL1111111111 0.1391 64 H -2.5254 -4.9050 3.0777 H 1 UNL1111111111 0.1421 65 H -4.2955 -0.1334 -2.7124 H 1 UNL1111111111 0.1822 66 H -2.5491 1.5296 -1.8201 H 1 UNL1111111111 0.1610 67 H -3.0856 3.2126 2.1078 H 1 UNL1111111111 0.1629 68 H -5.2220 1.9279 2.3910 H 1 UNL1111111111 0.1814 69 H -8.0785 -1.8100 -1.0619 H 1 UNL1111111111 0.3272 70 H -8.5097 -0.2263 1.4652 H 1 UNL1111111111 0.1827 71 H -8.2586 -1.9898 1.5736 H 1 UNL1111111111 0.1444 72 H -9.6806 -1.3334 0.6811 H 1 UNL1111111111 0.1486 @BOND 1 1 2 ar 2 1 19 ar 3 1 42 1 4 2 3 ar 5 2 43 1 6 3 4 1 7 3 17 ar 8 4 16 2 9 4 5 am 10 5 6 1 11 5 44 1 12 6 11 ar 13 6 7 ar 14 7 8 ar 15 7 21 1 16 8 9 ar 17 8 45 1 18 9 10 ar 19 9 46 1 20 10 12 1 21 10 11 ar 22 11 47 1 23 12 15 1 24 12 14 1 25 12 13 1 26 17 18 ar 27 17 48 1 28 18 19 ar 29 18 36 1 30 19 20 1 31 20 49 1 32 20 50 1 33 20 51 1 34 21 22 am 35 21 52 1 36 22 41 2 37 22 23 1 38 23 24 1 39 23 53 1 40 23 54 1 41 24 26 1 42 24 25 1 43 25 27 1 44 25 55 1 45 25 56 1 46 26 28 1 47 26 57 1 48 26 58 1 49 27 59 1 50 27 60 1 51 27 61 1 52 28 62 1 53 28 63 1 54 28 64 1 55 29 30 ar 56 29 34 ar 57 30 31 ar 58 30 65 1 59 31 35 ar 60 31 32 ar 61 32 33 ar 62 32 38 ar 63 33 34 ar 64 34 39 1 65 35 36 ar 66 35 66 1 67 36 37 ar 68 37 38 ar 69 37 67 1 70 38 68 1 71 39 40 1 72 39 69 1 73 40 70 1 74 40 71 1 75 40 72 1