No title                                
   1.00000000000000     
    22.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   15.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.0000000000000000
   Br   Sn   C    H 
     4     1     3     8
Direct
  0.6036525100000034  0.6115510200000003  0.5302273900000003
  0.5321320299999996  0.4018601200000020  0.4104911900000019
  0.4946053999999975  0.6410340300000001  0.3014186600000031
  0.1905148900000029  0.6306324899999964  0.5370501599999997
  0.4961058000000023  0.5536206499999992  0.4406298199999981
  0.1041752300000027  0.5581625499999987  0.4771517599999981
  0.1093065199999970  0.5170066900000023  0.3865693500000020
  0.0864566600000032  0.4930891599999967  0.5491816799999967
  0.0736716600000022  0.6158466600000025  0.4754566800000006
  0.0653201900000013  0.4895645300000027  0.3676215500000026
  0.1423587800000021  0.4623652800000002  0.3868497300000016
  0.1222528999999994  0.5657305300000033  0.3360854299999971
  0.4707324600000007  0.5661954099999988  0.5095904399999966
  0.0820922999999993  0.5251742800000017  0.6135255299999969
  0.1194939299999973  0.4387971800000017  0.5556513300000034
  0.0427346900000032  0.4639488500000013  0.5319778699999986
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00