HMDB0000753
     RDKit          3D
3-Hexanone
 19 18  0  0  0  0  0  0  0  0999 V2000
    2.0953    0.7842    0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614   -0.6683   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -1.1382    0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4710   -0.3425   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -0.5291   -1.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    0.7018    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482    0.2478    0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9707    1.2700   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2441    0.7342    1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628    1.3224    0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120   -1.2417    0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049   -0.7518   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550   -1.0883    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251   -2.2195    0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2940    1.6463   -0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373    0.8891    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -0.7174   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556    0.1372    1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318    0.9638   -0.0645 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
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
M  END