HMDB0059845
     RDKit          3D
p-Ethylacetophenone
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.4207    0.0235    1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7501    0.5800   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3045    0.2450   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408    1.0636    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    0.7484    0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   -0.4104   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8548   -0.7564   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9016    0.1079    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1817   -1.8174   -1.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749   -1.2221   -0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8479   -0.9034   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141   -1.0320    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8130    0.1460    1.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3551    0.6097    1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8887    1.6819   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    0.2205   -1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791    1.9664    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    1.4021    0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0867    0.9918   -0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8300   -0.4505    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    0.5042    1.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457   -2.1346   -1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781   -1.5641   -1.3130 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  6 10  1  0
 10 11  2  0
 11  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  8 19  1  0
  8 20  1  0
  8 21  1  0
 10 22  1  0
 11 23  1  0
M  END