COMPND      2,4,6-TRINITROTOLUENE,  TNT
AUTHOR      DAVE WOODCOCK  95 10 31
ATOM      1  N           1       0.095   2.612  -0.392  1.00  0.00
ATOM      2  O           1      -1.026   3.319  -0.857  1.00  0.00
ATOM      3  O           1       1.272   3.349  -0.163  1.00  0.00
ATOM      4  C           1       0.052   1.276  -0.220  1.00  0.00
ATOM      5  C           1       1.220   0.545   0.042  1.00  0.00
ATOM      6  C           1       1.245  -0.863   0.122  1.00  0.00
ATOM      7  C           1       0.009  -1.564   0.026  1.00  0.00
ATOM      8  C           1      -1.218  -0.837  -0.160  1.00  0.00
ATOM      9  C           1      -1.155   0.570  -0.306  1.00  0.00
ATOM     10  C           1       0.044  -3.109   0.113  1.00  0.00
ATOM     11  N           1      -2.496  -1.348  -0.219  1.00  0.00
ATOM     12  N           1       2.460  -1.446   0.272  1.00  0.00
ATOM     13  O           1       2.684  -2.813   0.375  1.00  0.00
ATOM     14  O           1       3.621  -0.682   0.316  1.00  0.00
ATOM     15  O           1      -3.629  -0.509  -0.368  1.00  0.00
ATOM     16  O           1      -2.839  -2.710  -0.132  1.00  0.00
ATOM     17  H           1       2.142   1.094   0.139  1.00  0.00
ATOM     18  H           1      -2.056   1.136  -0.481  1.00  0.00
ATOM     19  H           1       0.432  -3.390   1.094  1.00  0.00
ATOM     20  H           1       0.650  -3.482  -0.714  1.00  0.00
ATOM     21  H           1      -0.898  -3.605   0.015  1.00  0.00
TER      22              1
END