AlS.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
   -1.1085    0.0000    0.0000 AL  0  0  0  0  0
    0.9608    0.0000    0.0000 S   0  0  0  0  0
  1  2  2  0  0  0
<MULTIPLICITY>
 2