@MOLECULE 4,4'-dinitro-2-biphenylamine 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.6420 1.3347 -0.0033 O.2 1 UNL1 -0.3328 2 O 5.7165 -0.8258 -0.0171 O.2 1 UNL1 -0.3550 3 O -5.7850 -0.9498 -0.0225 O.2 1 UNL1 -0.3506 4 O -5.7623 1.2118 0.0037 O.2 1 UNL1 -0.3519 5 N 0.9314 -2.3103 0.0033 N.pl3 1 UNL1 -0.1037 6 N 5.1250 0.2370 -0.0067 N.pl3 1 UNL1 0.6442 7 N -5.2153 0.1248 -0.0056 N.pl3 1 UNL1 0.6343 8 C 0.6228 0.1146 0.0093 C.ar 1 UNL1 0.0483 9 C -0.7710 0.0998 0.0079 C.ar 1 UNL1 0.0505 10 C 1.4697 -1.1661 0.0049 C.ar 1 UNL1 0.0434 11 C 1.5048 1.1724 0.0105 C.ar 1 UNL1 -0.0528 12 C -1.6280 1.2167 -0.0055 C.ar 1 UNL1 -0.0143 13 C -1.6354 -1.0122 0.0185 C.ar 1 UNL1 -0.0064 14 C 2.9040 -0.9369 0.0015 C.ar 1 UNL1 0.1428 15 C 3.6751 0.1784 0.0009 C.ar 1 UNL1 -0.0729 16 C 2.7670 1.2544 0.0081 C.ar 1 UNL1 0.0305 17 C -3.7692 0.1108 -0.0001 C.ar 1 UNL1 -0.0125 18 C -2.9297 1.2256 -0.0094 C.ar 1 UNL1 0.0281 19 C -2.9393 -1.0120 0.0159 C.ar 1 UNL1 0.0306 @BOND 1 3 7 2 2 2 6 2 3 18 12 ar 4 18 17 ar 5 6 1 2 6 6 15 1 7 7 17 1 8 7 4 2 9 12 9 ar 10 17 19 ar 11 15 14 ar 12 15 16 ar 13 14 10 ar 14 5 10 1 15 10 8 ar 16 9 8 1 17 9 13 ar 18 16 11 ar 19 8 11 ar 20 19 13 ar