1deH1Brethaner.mol
  -ISIS-            3D

  7  6  0  0  0  0  0  0  0  0  0
   -1.6000    0.3574   -0.7043 C   0  0  0  0  0
   -0.1238    0.2146   -0.7814 C   0  0  0  0  0
   -1.9152    1.3723   -0.3748 H   0  0  0  0  0
   -2.0450    0.1835   -1.7013 H   0  0  0  0  0
   -2.0478   -0.3611    0.0071 H   0  0  0  0  0
    0.8866    0.1146    0.8340 BR  0  0  0  0  0
    0.4863    0.4496   -1.6554 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
<MULTIPLICITY>
 2