HMDB0245797
     RDKit          3D
3-Acetyl-1-propanol
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.7379    0.1775    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173   -0.2516   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528   -0.8571   -1.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    0.0300    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -0.5099   -0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2684   -0.1820    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3869    1.1848    0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847    1.0095   -0.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474   -0.6607   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    0.5115    1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.3563    1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0682    1.1383    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0499   -0.0416   -1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -1.5876   -0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1889   -0.5836   -0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1942   -0.6315    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    1.6102   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
M  END