HMDB0004814
     RDKit          3D
4-Heptanone
 22 21  0  0  0  0  0  0  0  0999 V2000
   -2.5969    0.7473    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790   -0.7466    0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1174   -1.0513   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912   -0.4797    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0888    0.1582    1.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -0.7177   -0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370   -0.0787    0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2612    1.4066    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    1.3257    0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    0.9348    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4532    1.1019   -0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386   -1.2765    1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2255   -1.1358   -0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650   -2.1554   -0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620   -0.6229   -1.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -0.1811   -1.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5215   -1.7960   -0.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -0.3019   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115   -0.5145    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448    1.7528    1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    1.6839   -0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0985    1.9468   -0.2528 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END