COOHr.mol
  -ISIS-            3D

  4  3  0  0  0  0  0  0  0  0  0
   -1.1283   -0.3235    0.0001 O   0  0  0  0  0
    0.2123   -0.3632    0.0000 C   0  0  0  0  0
   -1.4286    0.6227    0.0000 H   0  0  0  0  0
    1.0119    0.5355    0.0001 O   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  2  4  2  0  0  0
<MULTIPLICITY>
 2