CO2-2.mol
  -ISIS-            3D

  3  1  0  0  0  0  0  0  0  0  0
   -0.1663   -0.3963    0.0000 C   0  0  0  0  0
    1.2070   -0.3224    0.0000 O   0  0  0  0  0
   -1.0756    0.6351    0.0000 O   0  0  0  0  0
  2  3  1  0  0  0
<CHARGE>
 -2 
<MULTIPLICITY>
 3