HMDB0031551
     RDKit          3D
5-Methyl-5-hexen-2-one
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.1265   -0.8601   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5188    0.2308    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0213    0.3578    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -0.9285   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464   -0.9554   -0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    0.1526    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5657   -1.9957   -0.6858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -0.8747   -0.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.7235   -0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3321    1.3967    1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3867    1.2801    0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9299    2.2907    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417    1.2270   -0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367    0.6213    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382   -1.7330    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2425   -1.1156   -1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3504    0.9978    0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419   -0.2103    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5361    0.4497   -0.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  1  9  1  0
  1 10  1  0
  3 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
M  END