HMDB0062810
     RDKit          3D
M-toluic Acid
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.4852   -1.2233    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2865   -0.3253    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930    1.0284   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    1.8638   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697    1.3530   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974   -0.0129    0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049   -0.5929    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5541   -1.8122    0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5386    0.1900    0.2744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -0.8436    0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3962   -0.5728    0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -1.7819    1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -1.9180   -0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184    1.4022   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367    2.9234   -0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8664    1.9559   -0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1590    0.2753   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -1.9092    0.3823 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  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  9 17  1  0
 10 18  1  0
M  END