H4O+.mol
  -ISIS-            3D

  5  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0001    0.0001 O   0  0  0  0  0
    1.1267   -0.0002   -0.0001 H   0  0  0  0  0
   -0.3758    1.0628    0.0000 H   0  0  0  0  0
   -0.3752   -0.5312   -0.9196 H   0  0  0  0  0
   -0.3755   -0.5314    0.9200 H   0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
<CHARGE>
 1 
<MULTIPLICITY>
 2