HMDB0002237
     RDKit          3D
3,4-Dimethylbenzoic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.5891   -0.7441    0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1285   -0.5954    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -1.6635   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9829   -1.4940   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -0.3229   -0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603   -0.1886   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276   -1.1687   -0.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6780    1.0046    0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220    0.7118    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473    0.6037    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    1.7313    0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0702   -0.0170    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7661   -1.7555    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0192   -0.7842   -0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -2.5769   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446   -2.3461   -0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    1.7389   -0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    1.6404    0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051    2.6728    0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3331    1.8254    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929    1.7280    1.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  8 17  1  0
  9 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END