HMDB0002428
     RDKit          3D
Terephthalic acid
 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.1218   -0.8230   -1.6126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836   -0.4056   -0.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7794   -0.1429    0.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665   -0.2251   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081    0.2336    1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400    0.4000    1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895    0.1218    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191    0.2948    0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581    0.7085    1.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496    0.0061   -0.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9307   -0.3330   -0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.5033   -1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143    0.7391    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.4483    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840    0.7543    2.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.1542   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700   -0.5610   -1.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -0.8668   -2.1490 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
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
 12  4  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
 10 16  1  0
 11 17  1  0
 12 18  1  0
M  END