HMDB0031476
     RDKit          3D
2,3-Heptanedione
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.3025    0.9337   -0.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423    0.3366    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057   -1.0154    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -1.0500   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579   -0.2337    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668    0.4266    1.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810   -0.1659   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874    0.6340    0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4939   -0.8212   -1.2076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879    1.0370   -0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8934    0.3379   -1.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766    1.9796   -0.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738    0.9896    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369    0.1838    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678   -1.4450    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1506   -1.6841    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.7650   -1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -2.1282   -0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1711    0.8036   -0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    1.6038    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950    0.0423    1.2876 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  2  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  8 19  1  0
  8 20  1  0
  8 21  1  0
M  END