acrolein.mol
  -ISIS-            3D

  8  7  0  0  0  0  0  0  0  0  0
   -0.0147   -0.0043   -0.0017 O   0  0  0  0  0
    1.2156   -0.0020   -0.0004 C   0  0  0  0  0
    2.0431    1.2249    0.0009 C   0  0  0  0  0
    3.3894    1.1459   -0.0020 C   0  0  0  0  0
    4.0242    2.0378   -0.0026 H   0  0  0  0  0
    3.8961    0.1712   -0.0039 H   0  0  0  0  0
    1.5059    2.1826    0.0028 H   0  0  0  0  0
    1.7955   -0.9656   -0.0017 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
M  END