@MOLECULE 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)-4(1h)-quinolinone 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -1.5985 1.1072 -1.7843 Br 1 UNL1 -0.0138 2 BR 2.1252 -3.0367 -0.7832 Br 1 UNL1 -0.0192 3 O 0.7889 2.8249 -1.0024 O.3 1 UNL1 -0.3206 4 O -2.0224 -3.2239 0.8946 O.2 1 UNL1 -0.5168 5 N 3.2245 2.5671 1.0802 N.3 1 UNL1 -0.5502 6 N 0.7093 0.1792 2.7763 N.pl3 1 UNL1 -0.5444 7 N -1.4165 0.6996 1.8417 N.ar 1 UNL1 -0.4918 8 C 2.5404 1.7651 3.2780 C.3 1 UNL1 -0.2891 9 C 3.5287 1.5544 2.1124 C.3 1 UNL1 -0.1087 10 C 1.0836 1.6048 2.8147 C.3 1 UNL1 -0.0832 11 C 3.4657 2.1108 -0.3057 C.3 1 UNL1 -0.0955 12 C -0.4301 -0.2518 2.1036 C.ar 1 UNL1 0.4695 13 C 2.4182 1.0967 -0.6822 C.ar 1 UNL1 -0.0531 14 C -2.6396 0.3062 1.2817 C.ar 1 UNL1 0.2532 15 C -2.8771 -1.0387 0.9611 C.ar 1 UNL1 -0.2345 16 C -0.6142 -1.5791 1.7986 C.ar 1 UNL1 -0.5683 17 C -1.8331 -2.0629 1.2029 C.ar 1 UNL1 0.5250 18 C 1.1268 1.4970 -1.0470 C.ar 1 UNL1 0.1774 19 C 2.7118 -0.2668 -0.6322 C.ar 1 UNL1 -0.1697 20 C -3.6267 1.2842 1.0469 C.ar 1 UNL1 -0.2778 21 C -4.1054 -1.4022 0.4025 C.ar 1 UNL1 -0.0218 22 C 0.1450 0.5455 -1.3306 C.ar 1 UNL1 -0.0897 23 C 1.7147 -1.1942 -0.9102 C.ar 1 UNL1 -0.0326 24 C -4.8369 0.8967 0.4937 C.ar 1 UNL1 -0.0583 25 C -5.0813 -0.4429 0.1686 C.ar 1 UNL1 -0.2378 26 C 0.4220 -0.8139 -1.2554 C.ar 1 UNL1 -0.1189 27 C 0.9425 3.4833 -2.2583 C.3 1 UNL1 -0.1945 28 H 2.7719 1.0672 4.1043 H 1 UNL1 0.1505 29 H 2.6708 2.7829 3.6957 H 1 UNL1 0.1526 30 H 3.4049 0.5302 1.7003 H 1 UNL1 0.1422 31 H 4.5732 1.6226 2.4820 H 1 UNL1 0.1152 32 H 0.9659 2.0912 1.8120 H 1 UNL1 0.1691 33 H 0.4032 2.1211 3.5308 H 1 UNL1 0.1416 34 H 3.7006 3.4448 1.2664 H 1 UNL1 0.2634 35 H 3.3851 3.0049 -0.9712 H 1 UNL1 0.1539 36 H 4.4883 1.6961 -0.4556 H 1 UNL1 0.1240 37 H 1.4884 -0.4719 2.7776 H 1 UNL1 0.3136 38 H -1.2161 1.6860 1.9281 H 1 UNL1 0.3222 39 H 0.1427 -2.3246 2.0095 H 1 UNL1 0.1970 40 H 3.7203 -0.5920 -0.3728 H 1 UNL1 0.1710 41 H -3.4406 2.3243 1.2927 H 1 UNL1 0.1580 42 H -4.2773 -2.4547 0.1536 H 1 UNL1 0.1741 43 H -5.6081 1.6439 0.3075 H 1 UNL1 0.1439 44 H -6.0342 -0.7273 -0.2680 H 1 UNL1 0.1538 45 H -0.3560 -1.5634 -1.4461 H 1 UNL1 0.2040 46 H 0.5381 4.4814 -2.0465 H 1 UNL1 0.1529 47 H 0.3638 2.9945 -3.0474 H 1 UNL1 0.1395 48 H 1.9989 3.5413 -2.5333 H 1 UNL1 0.1227 @BOND 1 47 27 1 2 48 27 1 3 27 46 1 4 27 3 1 5 1 22 1 6 45 26 1 7 22 26 ar 8 22 18 ar 9 26 23 ar 10 18 3 1 11 18 13 ar 12 35 11 1 13 23 2 1 14 23 19 ar 15 13 19 ar 16 13 11 1 17 19 40 1 18 36 11 1 19 11 5 1 20 44 25 1 21 42 21 1 22 25 21 ar 23 25 24 ar 24 43 24 1 25 21 15 ar 26 24 20 ar 27 4 17 2 28 15 17 ar 29 15 14 ar 30 20 14 ar 31 20 41 1 32 5 34 1 33 5 9 1 34 17 16 ar 35 14 7 ar 36 30 9 1 37 16 39 1 38 16 12 ar 39 32 10 1 40 7 38 1 41 7 12 ar 42 12 6 1 43 9 31 1 44 9 8 1 45 6 37 1 46 6 10 1 47 10 8 1 48 10 33 1 49 8 29 1 50 8 28 1