CH2Brr.mol
  -ISIS-            3D

  4  3  0  0  0  0  0  0  0  0  0
    0.7551   -1.3979    0.0377 C   0  0  0  0  0
    1.8425   -1.3690   -0.0150 H   0  0  0  0  0
   -0.1394    0.2582   -0.0081 BR  0  0  0  0  0
    0.1345   -2.2916   -0.0050 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
<MULTIPLICITY>
 2