HMDB0001336
     RDKit          3D
3,4-Dihydroxybenzeneacetic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.1683   -0.7619   -1.8081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942   -0.4054   -0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814   -0.3800   -0.6838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -0.0100    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032   -0.0655    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2568   -1.1873    0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6249   -1.1628    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496   -0.0067    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132    0.0581   -0.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040    1.1152   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483    2.2802   -0.7335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1504    1.0660   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6048   -0.2910    0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -0.7082    1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2598    1.0231    0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2322   -2.0884    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132   -2.0351    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2469   -0.7079    0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506    2.2901   -0.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109    1.9776   -0.3504 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 11 19  1  0
 12 20  1  0
M  END