H2O+2t.mol
  -ISIS-            3D

  3  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0001    0.0002 O   0  0  0  0  0
    1.2418    0.0000    0.0000 H   0  0  0  0  0
   -1.2417    0.0004    0.0000 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
<CHARGE>
 2 
<MULTIPLICITY>
 3