@MOLECULE n-{4-[(3-bromophenyl)amino]-6-quinazolinyl}-2-butynamide 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 BR -5.6779 -0.1508 0.8411 Br 1 UNL111111111 -0.0564 2 O 6.4044 0.8432 -0.1282 O.2 1 UNL111111111 -0.4670 3 N -0.5809 -0.5405 -0.5587 N.pl3 1 UNL111111111 -0.4878 4 N 0.5373 3.4523 -0.2852 N.ar 1 UNL111111111 -0.4609 5 N -1.1298 1.7455 -0.4916 N.ar 1 UNL111111111 -0.5380 6 N 4.5291 -0.4191 0.2550 N.am 1 UNL111111111 -0.5616 7 C 1.2062 1.1041 -0.2553 C.ar 1 UNL111111111 -0.1760 8 C 1.5144 2.4848 -0.2052 C.ar 1 UNL111111111 0.1841 9 C -0.1987 0.7842 -0.4373 C.ar 1 UNL111111111 0.4175 10 C 2.2365 0.1547 -0.1047 C.ar 1 UNL111111111 -0.2439 11 C 3.5485 0.5754 0.0632 C.ar 1 UNL111111111 0.2203 12 C 2.8707 2.8959 -0.0537 C.ar 1 UNL111111111 -0.1277 13 C 3.8649 1.9655 0.0747 C.ar 1 UNL111111111 -0.1510 14 C -1.9140 -1.0029 -0.6681 C.ar 1 UNL111111111 0.2324 15 C -2.9766 -0.3908 0.0114 C.ar 1 UNL111111111 -0.1940 16 C -2.1344 -2.1661 -1.4274 C.ar 1 UNL111111111 -0.2465 17 C -0.7205 3.0533 -0.4060 C.ar 1 UNL111111111 0.2679 18 C -4.2350 -0.9642 -0.0900 C.ar 1 UNL111111111 0.0269 19 C -3.4124 -2.7077 -1.5053 C.ar 1 UNL111111111 -0.0891 20 C -4.4804 -2.1109 -0.8352 C.ar 1 UNL111111111 -0.2024 21 C 5.9139 -0.2307 0.1396 C.2 1 UNL111111111 0.6455 22 C 6.6624 -1.4236 0.3748 C.1 1 UNL111111111 -0.2881 23 C 7.3484 -2.4041 0.5706 C.1 1 UNL111111111 0.1022 24 C 8.1533 -3.5577 0.7996 C.3 1 UNL111111111 -0.4276 25 H 1.9990 -0.9051 -0.1053 H 1 UNL111111111 0.1528 26 H 3.0823 3.9688 -0.0382 H 1 UNL111111111 0.1862 27 H 0.1496 -1.2150 -0.7685 H 1 UNL111111111 0.3192 28 H 4.9064 2.2854 0.1941 H 1 UNL111111111 0.2055 29 H -2.8074 0.5190 0.5953 H 1 UNL111111111 0.2074 30 H -1.3143 -2.6374 -1.9635 H 1 UNL111111111 0.1611 31 H 4.1895 -1.3591 0.4388 H 1 UNL111111111 0.3153 32 H -1.5217 3.8088 -0.4559 H 1 UNL111111111 0.1986 33 H -3.5832 -3.6061 -2.0987 H 1 UNL111111111 0.1544 34 H -5.4764 -2.5438 -0.9051 H 1 UNL111111111 0.1695 35 H 9.2349 -3.3343 0.6998 H 1 UNL111111111 0.1864 36 H 7.9296 -4.3736 0.0846 H 1 UNL111111111 0.1821 37 H 8.0082 -3.9738 1.8160 H 1 UNL111111111 0.1828 @BOND 1 1 18 1 2 2 21 2 3 3 9 1 4 3 14 1 5 3 27 1 6 4 8 ar 7 4 17 ar 8 5 9 ar 9 5 17 ar 10 6 11 1 11 6 21 am 12 6 31 1 13 7 8 ar 14 7 9 ar 15 7 10 ar 16 8 12 ar 17 10 11 ar 18 10 25 1 19 11 13 ar 20 12 13 ar 21 12 26 1 22 13 28 1 23 14 15 ar 24 14 16 ar 25 15 18 ar 26 15 29 1 27 16 19 ar 28 16 30 1 29 17 32 1 30 18 20 ar 31 19 20 ar 32 19 33 1 33 20 34 1 34 21 22 1 35 22 23 3 36 23 24 1 37 24 35 1 38 24 36 1 39 24 37 1