NOq.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
    0.0359    0.0000    0.0000 N   0  0  0  0  0
    1.4921    0.0000    0.0000 O   0  0  0  0  0
  1  2  1  0  0  0
<MULTIPLICITY>
 4