@MOLECULE 1,2,4-trinitrobenzene 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7763 2.0792 -1.0912 O.2 1 UNL1111111111 -0.3336 2 O -1.7545 2.1141 1.0714 O.2 1 UNL1111111111 -0.3309 3 O -2.8874 -1.2297 1.0874 O.2 1 UNL1111111111 -0.3324 4 O -2.8700 -1.3122 -1.0749 O.2 1 UNL1111111111 -0.3325 5 O 3.9972 -0.8905 0.0176 O.2 1 UNL1111111111 -0.3719 6 O 3.5705 1.2235 -0.0211 O.2 1 UNL1111111111 -0.3649 7 N -1.4196 1.6700 -0.0060 N.pl3 1 UNL1111111111 0.5977 8 N -2.3486 -1.1289 0.0051 N.pl3 1 UNL1111111111 0.5879 9 N 3.2302 0.0551 -0.0003 N.pl3 1 UNL1111111111 0.6132 10 C -0.4723 0.5396 0.0011 C.ar 1 UNL1111111111 -0.0497 11 C -0.9116 -0.7856 0.0031 C.ar 1 UNL1111111111 0.0165 12 C 1.7943 -0.2348 0.0017 C.ar 1 UNL1111111111 -0.0562 13 C 0.8902 0.8300 0.0006 C.ar 1 UNL1111111111 -0.0611 14 C 0.0005 -1.8393 0.0045 C.ar 1 UNL1111111111 -0.1332 15 C 1.3663 -1.5638 0.0041 C.ar 1 UNL1111111111 -0.0599 16 H 1.2518 1.8704 -0.0010 H 1 UNL1111111111 0.2153 17 H -0.3487 -2.8779 0.0049 H 1 UNL1111111111 0.1942 18 H 2.0995 -2.3825 0.0052 H 1 UNL1111111111 0.2015 @BOND 1 1 7 2 2 2 7 2 3 3 8 2 4 4 8 2 5 5 9 2 6 6 9 2 7 7 10 1 8 8 11 1 9 9 12 1 10 10 11 ar 11 10 13 ar 12 11 14 ar 13 12 13 ar 14 12 15 ar 15 13 16 1 16 14 15 ar 17 14 17 1 18 15 18 1