2butanonerp.mol
  -ISIS-            3D

 13 12  0  0  0  0  0  0  0  0  0
    0.5150    0.5105    0.1633 O   0  0  0  0  0
    1.6086    0.0112    0.0445 C   0  0  0  0  0
    2.8152    1.0635   -0.1179 C   0  0  0  0  0
    3.5831    1.1782    1.1882 C   0  0  0  0  0
    4.0626    0.2427    1.5163 H   0  0  0  0  0
    4.3947    1.9197    0.9905 H   0  0  0  0  0
    2.9876    1.6162    2.0095 H   0  0  0  0  0
    3.3923    0.6047   -0.9484 H   0  0  0  0  0
    2.3650    2.0160   -0.4403 H   0  0  0  0  0
    1.8950   -1.4688    0.0056 C   0  0  0  0  0
    2.0744   -1.7223   -1.0599 H   0  0  0  0  0
    2.8177   -1.6823    0.5717 H   0  0  0  0  0
    1.0308   -2.0341    0.3858 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 13  1  0  0  0
M  END