HMDB0011725
     RDKit          3D
5-Sulfosalicylic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.2514    2.4460    0.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    1.2010    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538    0.6877    0.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815    0.3467    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.9279    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    0.1481    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8153    0.8356    0.1739 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7310   -0.0384    0.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6996    2.1914    0.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3997    1.1051   -1.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0796   -1.2245    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773   -1.8012    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -1.0262    0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6058   -1.6045    0.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677    0.9576   -0.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    1.9958    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6032    0.1895   -1.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842   -1.8502    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2954   -2.8721    0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -2.6153    0.0766 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
  6 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
  3 15  1  0
  5 16  1  0
 10 17  1  0
 11 18  1  0
 12 19  1  0
 14 20  1  0
M  END