LiBr.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
   -2.1438    0.0000    0.0000 LI  0  0  0  0  0
    0.2012    0.0000    0.0000 BR  0  0  0  0  0
  1  2  1  0  0  0