@MOLECULE 2-(4-bromophenyl)-4(1h)-quinazolinone 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.0557 0.0435 0.0003 C.ar 1 UNL1 0.0107 2 N 1.8716 0.8795 0.0018 N.ar 1 UNL1 -0.4902 3 O 3.6801 -2.7405 -0.0032 O.2 1 UNL1 -0.4778 4 BR -4.9469 0.1915 -0.0004 Br 1 UNL1 -0.0449 5 C -2.2877 1.2010 -0.0035 C.ar 1 UNL1 -0.1759 6 N 1.8126 -1.4909 -0.0012 N.ar 1 UNL1 -0.5808 7 C -0.8999 1.0841 -0.0028 C.ar 1 UNL1 -0.0616 8 C -0.2922 -0.1785 0.0008 C.ar 1 UNL1 -0.0739 9 C -1.0893 -1.3279 0.0045 C.ar 1 UNL1 -0.1119 10 C -2.4783 -1.2209 0.0046 C.ar 1 UNL1 -0.1659 11 C 1.1873 -0.2427 0.0006 C.ar 1 UNL1 0.4097 12 C 3.2622 0.8522 0.0010 C.ar 1 UNL1 0.2400 13 C 3.9734 -0.3640 -0.0000 C.ar 1 UNL1 -0.2465 14 C 5.3752 -0.3613 -0.0002 C.ar 1 UNL1 -0.0452 15 C 6.0561 0.8434 0.0005 C.ar 1 UNL1 -0.2027 16 C 5.3480 2.0577 0.0007 C.ar 1 UNL1 -0.0803 17 C 3.9656 2.0752 0.0011 C.ar 1 UNL1 -0.1923 18 C 3.2307 -1.6179 -0.0015 C.ar 1 UNL1 0.5930 19 H -2.7464 2.1905 -0.0073 H 1 UNL1 0.1751 20 H 1.2696 -2.3513 -0.0027 H 1 UNL1 0.3307 21 H -0.2764 1.9877 -0.0049 H 1 UNL1 0.1938 22 H -0.6480 -2.3246 0.0074 H 1 UNL1 0.1554 23 H -3.0897 -2.1244 0.0080 H 1 UNL1 0.1748 24 H 5.9103 -1.3154 -0.0010 H 1 UNL1 0.1750 25 H 7.1444 0.8581 0.0006 H 1 UNL1 0.1614 26 H 5.9033 2.9968 0.0007 H 1 UNL1 0.1528 27 H 3.4036 3.0084 0.0014 H 1 UNL1 0.1776 @BOND 1 19 5 1 2 21 7 1 3 5 7 ar 4 5 1 ar 5 3 18 2 6 7 8 ar 7 20 6 1 8 18 6 ar 9 18 13 ar 10 6 11 ar 11 24 14 1 12 4 1 1 13 14 13 ar 14 14 15 ar 15 13 12 ar 16 1 10 ar 17 15 25 1 18 15 16 ar 19 11 8 1 20 11 2 ar 21 16 26 1 22 16 17 ar 23 8 9 ar 24 12 17 ar 25 12 2 ar 26 17 27 1 27 9 10 ar 28 9 22 1 29 10 23 1