COMPND      BUTANONE
AUTHOR      DAVE WOODCOCK  96 06 28
ATOM      1  C           1      -0.180  -0.941   0.484  1.00  0.00
ATOM      2  C           1      -0.827   0.088  -0.446  1.00  0.00
ATOM      3  C           1       1.306  -1.274   0.351  1.00  0.00
ATOM      4  O           1      -0.940  -1.580   1.429  1.00  0.00
ATOM      5  H           1      -0.664  -0.208  -1.482  1.00  0.00
ATOM      6  H           1      -1.900   0.127  -0.250  1.00  0.00
ATOM      7  H           1       1.900  -0.462   0.772  1.00  0.00
ATOM      8  H           1       1.559  -1.400  -0.701  1.00  0.00
ATOM      9  H           1       1.522  -2.199   0.887  1.00  0.00
ATOM     10  C           1      -0.226   1.477  -0.214  1.00  0.00
ATOM     11  H           1       0.839   1.463  -0.447  1.00  0.00
ATOM     12  H           1      -0.364   1.769   0.827  1.00  0.00
ATOM     13  H           1      -0.729   2.199  -0.858  1.00  0.00
TER      14              1
END