HMDB0000707
     RDKit          3D
4-Hydroxyphenylpyruvic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.0731   -0.4994   -0.5722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226    0.0246    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    0.5321    1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    0.0936    0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    0.6135    1.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443   -0.4626   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2021   -0.3070   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395   -1.2572    0.4053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -1.0596    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9325    0.0707    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2841    0.2267    0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1905    1.0180   -0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8365    0.8359   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    1.4915    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537    0.0321   -1.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601   -1.5680   -0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341   -2.1476    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8707   -1.8021    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6251    0.6685    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    1.9125   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499    1.5836   -1.2357 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  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
  3 14  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 11 19  1  0
 12 20  1  0
 13 21  1  0
M  END