@MOLECULE 2,4-dinitrophenoxyamine 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4916 0.9745 -0.0072 O.3 1 UNL1 -0.0670 2 O -1.1812 -2.7633 0.0307 O.2 1 UNL1 -0.3830 3 O -2.8362 -1.3910 -0.0192 O.2 1 UNL1 -0.4014 4 O 3.7690 0.9010 0.0228 O.2 1 UNL1 -0.4043 5 O 3.3509 -1.2108 -0.0383 O.2 1 UNL1 -0.3870 6 N -1.6407 -1.6340 0.0046 N.pl3 1 UNL1 0.6470 7 N 2.9978 -0.0447 -0.0049 N.pl3 1 UNL1 0.6381 8 N -2.8656 2.3491 -0.0061 N.4 1 UNL1 -0.4466 9 C -0.7073 -0.5266 0.0028 C.ar 1 UNL1 -0.2272 10 C -1.1422 0.8191 0.0021 C.ar 1 UNL1 0.2941 11 C 1.5746 0.2414 0.0013 C.ar 1 UNL1 -0.1737 12 C 0.6633 -0.8094 0.0017 C.ar 1 UNL1 0.0345 13 C -0.2059 1.8656 0.0084 C.ar 1 UNL1 -0.2723 14 C 1.1449 1.5821 0.0070 C.ar 1 UNL1 0.0133 15 H 1.0129 -1.8586 0.0008 H 1 UNL1 0.2196 16 H -0.5609 2.9015 0.0143 H 1 UNL1 0.2089 17 H 1.8880 2.3909 0.0100 H 1 UNL1 0.1895 18 H -3.4274 2.4277 -0.8462 H 1 UNL1 0.2585 19 H -3.4637 2.4138 0.8100 H 1 UNL1 0.2590 @BOND 1 18 8 1 2 5 7 2 3 3 6 2 4 1 8 1 5 1 10 1 6 8 19 1 7 7 11 1 8 7 4 2 9 15 12 1 10 11 12 ar 11 11 14 ar 12 12 9 ar 13 10 9 ar 14 10 13 ar 15 9 6 1 16 6 2 2 17 14 13 ar 18 14 17 1 19 13 16 1