CHBrt.mol
  -ISIS-            3D

  3  2  0  0  0  0  0  0  0  0  0
    1.2011   -1.0421    0.0000 C   0  0  0  0  0
    2.2741   -0.8110    0.0000 H   0  0  0  0  0
   -0.1716    0.1877    0.0000 BR  0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
<MULTIPLICITY>
 3