BrF3.mol
  -ISIS-            3D

  4  3  0  0  0  0  0  0  0  0  0
    0.0589   -0.1133    0.0052 BR  0  0  0  0  0
    1.9935    0.2021   -0.0014 F   0  0  0  0  0
   -0.8841    1.5461   -0.0016 F   0  0  0  0  0
   -1.1671   -1.6335   -0.0016 F   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0