HMDB0032822
     RDKit          3D
5-Sulfo-1,3-benzenedicarboxylic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.4826    3.4697   -0.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133    2.7130   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    3.2791   -0.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519    1.2949   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312    0.4743   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1346   -0.8833    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584   -1.7582    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0835   -2.9779    0.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5358   -1.2427    0.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491   -1.3958    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -0.5933   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792   -1.2284   -0.2436 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6931   -0.3659   -1.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382   -2.6552   -0.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5298   -1.1550    1.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057    0.7558   -0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    4.2126   -0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    0.8487   -0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329   -0.4950    1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -2.4530    0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792   -1.2501    1.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    1.4057   -0.5910 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  1  0
  6 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 11 16  2  0
 16  4  1  0
  3 17  1  0
  5 18  1  0
  9 19  1  0
 10 20  1  0
 15 21  1  0
 16 22  1  0
M  END