HMDB0246049
     RDKit          3D
3,5-Dichloro-2-hydroxybenzenesulfonic acid
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4594   -1.5741   -1.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371   -0.2469   -0.5691 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.4656    0.8339   -1.5145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890    0.0132    0.8771 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3294   -0.1988   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -1.3310   -0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763   -1.2761   -0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249   -2.6432   -0.6050 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -0.1268    0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804    0.9977    0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346    2.4624    1.1858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2266    0.9401    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083    2.0198    0.5227 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7388   -0.4899    0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0143   -2.2306   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057   -0.0445    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.8949    0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12  5  1  0
  4 14  1  0
  6 15  1  0
  9 16  1  0
 13 17  1  0
M  END