HMDB0001587
     RDKit          3D
Phenylglyoxylic acid
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4289    1.4153   -0.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856    0.4219    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8755    0.1256    0.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4717   -0.3770    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560   -1.3791    1.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821   -0.2005    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4166    0.8054   -0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560    0.9486   -0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6523    0.0275   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988   -0.9917    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -1.1040    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    0.5437    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    1.5301   -1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    1.7610   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7055    0.1164   -0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8805   -1.7268    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -1.9163    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 12  1  0
  7 13  1  0
  8 14  1  0
  9 15  1  0
 10 16  1  0
 11 17  1  0
M  END