NO+2.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
   -0.5861    0.0000    0.0000 N   0  0  0  0  0
    0.5148    0.0000    0.0000 O   0  0  0  0  0
  1  2  2  0  0  0
<CHARGE>
 2 
<MULTIPLICITY>
 2