HMDB0059933
     RDKit          3D
p-Toluenesulfonic acid
 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.1110   -0.6759    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803   -0.2906    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517   -0.6367   -0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4950   -0.3288   -0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337    0.3601    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338    0.7947    0.1262 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.1761    0.9461   -1.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8691    2.1015    0.8452 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5849   -0.4299    0.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    0.7092    1.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438    0.3897    1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212    0.0444   -0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -1.7067   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4870   -0.6825    1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409   -1.1764   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1043   -0.6198   -1.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3162   -0.7253    0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657    1.2466    1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533    0.6801    1.9842 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  2  0
  6  9  1  0
  5 10  1  0
 10 11  2  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END