deH2propanonep.mol
  -ISIS-            3D

  9  9  0  0  0  0  0  0  0  0  0
   -0.0016    0.0851    0.0004 O   0  0  0  0  0
    1.2686    0.0135   -0.0001 C   0  0  0  0  0
    2.3444    0.9738   -0.0004 C   0  0  0  0  0
    2.9990    0.7731   -0.8773 H   0  0  0  0  0
    1.9764    2.0121   -0.0010 H   0  0  0  0  0
    2.9974    0.7728    0.8778 H   0  0  0  0  0
    0.7465   -1.3370    0.0007 C   0  0  0  0  0
    0.6118   -1.8676    0.9515 H   0  0  0  0  0
    0.6121   -1.8676   -0.9500 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
<CHARGE>
1
M  END