OCS+2.mol
  -ISIS-            3D

  3  2  0  0  0  0  0  0  0  0  0
   -0.5993    0.0001   -0.0002 C   0  0  0  0  0
    1.1030   -0.0001    0.0001 S   0  0  0  0  0
   -1.7525    0.0002    0.0002 O   0  0  0  0  0
  1  2  1  0  0  0
  1  3  3  0  0  0
<CHARGE>
 2