HMDB0061916
     RDKit          3D
Phenylglyoxal
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.7927    1.4684    0.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738    0.2379    0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746   -0.6495    0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0147   -1.9049    0.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974   -0.2624    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073   -1.2456    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -0.9665   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443    0.3382   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185    1.3295   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650    1.0244    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819   -0.1557    0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2947   -2.2724    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794   -1.7470   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3843    0.5752   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598    2.3890   -0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.8411    0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2 11  1  0
  6 12  1  0
  7 13  1  0
  8 14  1  0
  9 15  1  0
 10 16  1  0
M  END