2pentanone.mol
  -ISIS-            3D

 16 15  0  0  0  0  0  0  0  0  0
    0.4801   -0.2998    1.2378 O   0  0  0  0  0
    1.4307   -0.2066    0.4702 C   0  0  0  0  0
    2.2512    1.1029    0.3460 C   0  0  0  0  0
    2.2412    1.9209    1.6341 C   0  0  0  0  0
    0.8655    2.3125    2.1132 C   0  0  0  0  0
    0.2825    2.9087    1.3887 H   0  0  0  0  0
    0.2600    1.3488    2.2378 H   0  0  0  0  0
    0.8536    2.7744    3.1149 H   0  0  0  0  0
    2.8333    2.8466    1.4068 H   0  0  0  0  0
    2.8237    1.4153    2.4281 H   0  0  0  0  0
    1.7422    1.6281   -0.4940 H   0  0  0  0  0
    3.2644    0.8349   -0.0023 H   0  0  0  0  0
    1.8224   -1.3799   -0.4104 C   0  0  0  0  0
    1.9894   -1.0143   -1.4401 H   0  0  0  0  0
    2.7876   -1.7660   -0.0272 H   0  0  0  0  0
    1.0558   -2.1668   -0.3777 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5  8  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 16  1  0  0  0
M  END