HMDB0029638
     RDKit          3D
4-Methylbenzaldehyde
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.7241    0.0537    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2432    0.0218    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5765   -0.9126   -0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -0.9478   -0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -0.0342   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430   -0.0471   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378   -0.9045   -0.9007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9304    0.9070    0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    0.9311    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096   -0.7138    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2296   -0.0465   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990    1.0399    0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978   -1.6400   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -1.6835   -1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6478    0.6730    0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5397    1.6318    1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    1.6717    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  2  0
  9  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
M  END