HMDB0032623
     RDKit          3D
1-Phenyl-1-propanone
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.3630    0.1208   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251    0.5304    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9936   -0.6124   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3664   -1.8022   -0.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395   -0.3434   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253    0.9420    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2974    1.1476    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    0.1041   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.1722   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3674   -1.3798   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5782   -0.5737   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571    1.0561   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7521   -0.2375    0.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7301    1.2089   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    1.1196    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2155    1.7510    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133    2.1825    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2433    0.3420    0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213   -2.0015   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -2.3825   -0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END