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
  0.5248624299999989  0.6075718499999994  0.5319907000000015
  0.4131547599999976  0.4286501300000012  0.4287749000000005
  0.3712162400000025  0.6631650200000010  0.3099607700000035
  0.2618293900000026  0.6505063700000022  0.5664652199999978
  0.3572133400000013  0.5693825299999986  0.4431861699999970
  0.1503341299999974  0.5449631199999985  0.4611690199999998
  0.1425585499999968  0.4960365100000033  0.3751636300000030
  0.1367691600000001  0.4895307999999972  0.5426006799999996
  0.1240202199999985  0.6069726200000005  0.4603729299999983
  0.0957457100000028  0.4740461299999978  0.3693442200000021
  0.1714806100000033  0.4366889499999971  0.3728700599999968
  0.1521408300000004  0.5380072999999967  0.3176248899999976
  0.4365246600000035  0.6047318800000028  0.5402304400000020
  0.1419219599999977  0.5269405599999999  0.6035573200000002
  0.1657564400000027  0.4303684099999998  0.5473095700000030
  0.0900775300000021  0.4670172399999970  0.5388580099999984
 
  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