HMDB0245179
     RDKit          3D
2-Iodobenzoic acid
 15 15  0  0  0  0  0  0  0  0999 V2000
    2.5303    1.6085   -0.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0435    0.4525   -0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9096   -0.6219   -0.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207    0.1810   -0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411   -1.0925   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2238   -1.3388   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1373   -0.2984    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6470    0.9873    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870    1.2117    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739    3.1878    0.0879 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8929   -1.2954    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -1.9190   -0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144   -2.3393   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2075   -0.5281    0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3191    1.8045    0.2202 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  3 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
M  END