COMPND      OCTANE
AUTHOR      DAVE WOODCOCK  96 01 05
ATOM      1  C           1      -4.397   0.370  -0.255  1.00  0.00
ATOM      2  C           1      -3.113  -0.447  -0.421  1.00  0.00
ATOM      3  C           1      -1.896   0.386  -0.007  1.00  0.00
ATOM      4  C           1      -0.611  -0.426  -0.198  1.00  0.00
ATOM      5  C           1       0.608   0.405   0.216  1.00  0.00
ATOM      6  C           1       1.892  -0.400   0.001  1.00  0.00
ATOM      7  C           1       3.113   0.429   0.414  1.00  0.00
ATOM      8  C           1       4.397  -0.374   0.199  1.00  0.00
ATOM      9  H           1      -4.502   0.681   0.785  1.00  0.00
ATOM     10  H           1      -5.254  -0.243  -0.537  1.00  0.00
ATOM     11  H           1      -4.357   1.252  -0.895  1.00  0.00
ATOM     12  H           1      -3.009  -0.741  -1.467  1.00  0.00
ATOM     13  H           1      -3.172  -1.337   0.206  1.00  0.00
ATOM     14  H           1      -1.992   0.668   1.044  1.00  0.00
ATOM     15  H           1      -1.849   1.286  -0.621  1.00  0.00
ATOM     16  H           1      -0.515  -0.707  -1.248  1.00  0.00
ATOM     17  H           1      -0.659  -1.326   0.417  1.00  0.00
ATOM     18  H           1       0.520   0.671   1.270  1.00  0.00
ATOM     19  H           1       0.645   1.314  -0.386  1.00  0.00
ATOM     20  H           1       1.979  -0.666  -1.054  1.00  0.00
ATOM     21  H           1       1.855  -1.309   0.604  1.00  0.00
ATOM     22  H           1       3.030   0.696   1.467  1.00  0.00
ATOM     23  H           1       3.155   1.337  -0.188  1.00  0.00
ATOM     24  H           1       4.493  -0.641  -0.854  1.00  0.00
ATOM     25  H           1       4.368  -1.282   0.801  1.00  0.00
ATOM     26  H           1       5.254   0.230   0.498  1.00  0.00
TER      27              1
END