HBrrp.mol
  -ISIS-            3D

  2  1  0  0  0  0  0  0  0  0  0
    0.0673    0.0000    0.0000 BR  0  0  0  0  0
    1.5477    0.0000    0.0000 H   0  0  0  0  0
  1  2  1  0  0  0
<CHARGE>
 1 
<MULTIPLICITY>
 2