HMDB0029635
     RDKit          3D
4-Methylbenzoic acid
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.9550   -0.0548    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686   -0.0027   -0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -1.0136    0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6661   -0.9645    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135    0.1085   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    0.1761   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117    1.1630   -0.7156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4810   -0.8783    0.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5815    1.1340   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    1.0526   -0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2817   -0.7490    0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3883    0.9474    0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206   -0.3786   -0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -1.8607    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874   -1.7463    0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899   -0.7635    1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    1.9920   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300    1.8384   -1.0167 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  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END