@MOLECULE phenylimidazole 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.9674 0.0137 0.0005 N.ar 1 UNL1 -0.2614 2 N 3.0966 -0.7129 -0.0013 N.ar 1 UNL1 -0.3612 3 C -0.4451 0.0081 -0.0001 C.ar 1 UNL1 0.1780 4 C -1.1546 1.2184 -0.0014 C.ar 1 UNL1 -0.2143 5 C -1.1385 -1.2119 0.0010 C.ar 1 UNL1 -0.2192 6 C 1.7934 1.1477 0.0020 C.ar 1 UNL1 -0.1331 7 C 1.8194 -1.1064 -0.0016 C.ar 1 UNL1 0.0862 8 C -2.5459 1.2000 -0.0011 C.ar 1 UNL1 -0.0941 9 C -2.5300 -1.2104 0.0012 C.ar 1 UNL1 -0.0923 10 C -3.2371 -0.0097 0.0000 C.ar 1 UNL1 -0.1751 11 C 3.1023 0.6771 0.0009 C.ar 1 UNL1 -0.0609 12 H -0.6311 2.1720 -0.0027 H 1 UNL1 0.1660 13 H -0.6047 -2.1593 0.0019 H 1 UNL1 0.1645 14 H 1.4176 2.1477 0.0039 H 1 UNL1 0.1775 15 H 1.4751 -2.1252 -0.0034 H 1 UNL1 0.1886 16 H -3.0959 2.1416 -0.0019 H 1 UNL1 0.1559 17 H -3.0685 -2.1588 0.0021 H 1 UNL1 0.1564 18 H -4.3249 -0.0167 0.0002 H 1 UNL1 0.1561 19 H 4.0269 1.2219 0.0015 H 1 UNL1 0.1822 @BOND 1 15 7 1 2 12 4 1 3 16 8 1 4 7 2 ar 5 7 1 ar 6 4 8 ar 7 4 3 ar 8 2 11 ar 9 8 10 ar 10 3 1 1 11 3 5 ar 12 10 18 1 13 10 9 ar 14 1 6 ar 15 11 19 1 16 11 6 ar 17 5 9 ar 18 5 13 1 19 9 17 1 20 6 14 1