2pentanonerp.mol
  -ISIS-            3D

 16 15  0  0  0  0  0  0  0  0  0
   -0.0159   -0.0378    0.0128 C   0  0  0  0  0
    1.5048    0.0385   -0.0033 C   0  0  0  0  0
   -0.4793    0.9692    0.0817 H   0  0  0  0  0
   -0.3612   -0.5697    0.9176 H   0  0  0  0  0
   -0.4269   -0.5637   -0.8669 H   0  0  0  0  0
    2.2117    0.4323   -1.3009 C   0  0  0  0  0
    1.9196   -0.9977    0.1542 H   0  0  0  0  0
    1.9068    0.6028    0.8599 H   0  0  0  0  0
    1.8843    1.9488   -1.7057 C   0  0  0  0  0
    1.8768   -0.1537   -2.1788 H   0  0  0  0  0
    3.3081    0.3806   -1.1937 H   0  0  0  0  0
    0.7578    2.2094   -2.6852 C   0  0  0  0  0
    2.5946    2.8090   -1.2404 O   0  0  0  0  0
    0.4650    3.2693   -2.6539 H   0  0  0  0  0
    1.1737    1.9641   -3.6843 H   0  0  0  0  0
   -0.0890    1.5306   -2.4925 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  9 12  1  0  0  0
  9 13  2  0  0  0
 12 14  1  0  0  0
 12 15  1  0  0  0
 12 16  1  0  0  0
M  END