HMDB0005994
     RDKit          3D
Hexanal
 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.5362    0.0479    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3984    0.4468    1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0983    0.6200    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -0.6137   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460   -0.3653   -1.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    0.0565   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    1.0152    0.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4797    0.2167    0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5749    0.6485   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302   -1.0308   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6362    1.4147    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2427   -0.3272    1.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    1.5192   -0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499    0.8384    1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.0862   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933   -1.4358    0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -1.2896   -1.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955    0.4284   -1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7046   -0.5391   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
M  END