AlO.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
    0.0116    0.0000    0.0000 Al  0  0  0  0  0
    1.6612    0.0000    0.0000 O   0  0  0  0  0
  1  2  2  0  0  0
<MULTIPLICITY>
2
M  END