@MOLECULE n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1h-1,2,3-triazol-1-yl)ethoxy]-4-quinazolinamine 45 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -7.2874 0.9010 -0.1550 Br 1 UNL1 -0.0466 2 F -2.8033 -1.4261 -1.2375 F 1 UNL1 -0.1323 3 O 4.8451 -0.9200 -0.8684 O.3 1 UNL1 -0.2963 4 O 3.5486 1.2751 -0.8783 O.3 1 UNL1 -0.2325 5 N -1.3118 0.0784 0.6188 N.pl3 1 UNL1 -0.4922 6 N 6.9200 0.6992 0.1607 N.ar 1 UNL1 -0.1531 7 N 0.9209 -3.4176 0.3945 N.ar 1 UNL1 -0.4510 8 N -1.1445 -2.2773 0.8142 N.ar 1 UNL1 -0.5039 9 N 6.6664 1.6680 -0.7648 N.ar 1 UNL1 -0.0230 10 N 6.5106 2.7955 -0.1537 N.ar 1 UNL1 -0.2071 11 C 0.8167 -0.9932 0.1526 C.ar 1 UNL1 -0.1755 12 C 1.5322 -2.2149 0.1262 C.ar 1 UNL1 0.2032 13 C 3.5369 -1.0199 -0.4845 C.ar 1 UNL1 0.1788 14 C 2.7947 0.2148 -0.5211 C.ar 1 UNL1 0.1689 15 C 1.4581 0.2180 -0.2045 C.ar 1 UNL1 -0.2558 16 C -0.5712 -1.1030 0.5352 C.ar 1 UNL1 0.4135 17 C 2.9254 -2.2052 -0.1797 C.ar 1 UNL1 -0.2366 18 C 5.7745 -1.4962 0.0533 C.3 1 UNL1 -0.0747 19 C 7.0723 -0.7028 -0.2010 C.3 1 UNL1 -0.0984 20 C -2.7107 0.1558 0.5106 C.ar 1 UNL1 0.1678 21 C -0.3712 -3.4075 0.6989 C.ar 1 UNL1 0.2573 22 C -3.4333 -0.5608 -0.4655 C.ar 1 UNL1 0.1481 23 C -3.4030 1.0981 1.2873 C.ar 1 UNL1 -0.2085 24 C 6.9099 1.2555 1.4353 C.ar 1 UNL1 -0.1334 25 C -4.7943 -0.3567 -0.6693 C.ar 1 UNL1 -0.1774 26 C -4.7610 1.3237 1.0863 C.ar 1 UNL1 -0.1324 27 C 2.9235 2.5548 -0.8829 C.3 1 UNL1 -0.2232 28 C -5.4366 0.5944 0.1169 C.ar 1 UNL1 -0.0348 29 C 6.6497 2.6127 1.2229 C.ar 1 UNL1 -0.1317 30 H 0.8794 1.1367 -0.2483 H 1 UNL1 0.1741 31 H 3.4657 -3.1527 -0.1825 H 1 UNL1 0.1933 32 H 5.8956 -2.5637 -0.2068 H 1 UNL1 0.1481 33 H 5.4173 -1.3983 1.0925 H 1 UNL1 0.1424 34 H 7.3455 -0.7654 -1.2879 H 1 UNL1 0.1935 35 H 7.9154 -1.1443 0.3800 H 1 UNL1 0.1600 36 H -0.8458 0.8657 1.0624 H 1 UNL1 0.3222 37 H -0.8777 -4.3683 0.8996 H 1 UNL1 0.1986 38 H -2.8755 1.6596 2.0569 H 1 UNL1 0.1663 39 H 7.0874 0.6998 2.3306 H 1 UNL1 0.1850 40 H -5.3296 -0.9250 -1.4322 H 1 UNL1 0.1905 41 H -5.2752 2.0674 1.6988 H 1 UNL1 0.1711 42 H 2.1229 2.6079 -1.6259 H 1 UNL1 0.1413 43 H 3.7693 3.1972 -1.1849 H 1 UNL1 0.1739 44 H 2.5749 2.8351 0.1133 H 1 UNL1 0.1321 45 H 6.5643 3.4271 1.9103 H 1 UNL1 0.1902 @BOND 1 42 27 1 2 40 25 1 3 34 19 1 4 2 22 1 5 43 27 1 6 27 4 1 7 27 44 1 8 4 14 1 9 3 13 1 10 3 18 1 11 9 10 ar 12 9 6 ar 13 25 22 ar 14 25 28 ar 15 14 13 ar 16 14 15 ar 17 13 17 ar 18 22 20 ar 19 30 15 1 20 32 18 1 21 15 11 ar 22 19 18 1 23 19 6 1 24 19 35 1 25 31 17 1 26 17 12 ar 27 1 28 1 28 10 29 ar 29 18 33 1 30 28 26 ar 31 12 11 ar 32 12 7 ar 33 11 16 ar 34 6 24 ar 35 7 21 ar 36 20 5 1 37 20 23 ar 38 16 5 1 39 16 8 ar 40 5 36 1 41 21 8 ar 42 21 37 1 43 26 23 ar 44 26 41 1 45 29 24 ar 46 29 45 1 47 23 38 1 48 24 39 1