HOq.mol
  -ISIS-            3D

  2  0  0  0  0  0  0  0  0  0  0
   -1.9409    0.0000    0.0000 H   0  0  0  0  0
    0.4578    0.0000    0.0000 O   0  0  0  0  0
<MULTIPLICITY>
 4