HMDB0031593
     RDKit          3D
5-Methyl-2,3-hexanedione
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.3274   -0.0810    0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187   -0.0647   -0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -0.0954   -1.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349   -0.0165   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    0.0130    1.1713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256   -0.0023   -1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    0.0492   -0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456    1.2604    0.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651   -1.1673    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384    0.1951    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128   -1.0826    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701    0.6794    0.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1397   -0.9420   -1.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093    0.8721   -1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237    0.0984   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9249    1.5399    0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2342    2.1316    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6566    1.0730    1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605   -1.3845    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203   -1.0268    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -2.0490   -0.0736 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END