HMDB0033910
     RDKit          3D
Acetophenone
 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.6594    0.5281   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664   -0.5542   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0725   -1.7422   -0.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309   -0.3212    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678    0.9697    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413    1.1746    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5358    0.1158    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325   -1.1689    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6613   -1.3632    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8675    0.9064    0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5990    0.1589   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304    1.3856   -0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4067    1.8293   -0.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    2.2014    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    0.2730    0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477   -1.9802    0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -2.4131    0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
M  END