1deHbutyraldehyder.mol
  -ISIS-            3D

 12 11  0  0  0  0  0  0  0  0  0
    0.4125    0.6052    0.0028 O   0  0  0  0  0
    1.2882   -0.2186    0.0032 C   0  0  0  0  0
    2.7859    0.0004   -0.0024 C   0  0  0  0  0
    3.2478    1.4737   -0.0091 C   0  0  0  0  0
    2.8249    1.9801   -0.8965 H   0  0  0  0  0
    2.8202    1.9892    0.8707 H   0  0  0  0  0
    4.7836    1.5849   -0.0062 C   0  0  0  0  0
    3.1757   -0.5578   -0.8782 H   0  0  0  0  0
    3.1796   -0.5519    0.8754 H   0  0  0  0  0
    5.2259    1.0915   -0.8911 H   0  0  0  0  0
    5.1067    2.6401   -0.0161 H   0  0  0  0  0
    5.2207    1.1087    0.8901 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  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
  7 10  1  0  0  0
  7 11  1  0  0  0
  7 12  1  0  0  0
<MULTIPLICITY>
 2