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
  0.5878944899999965  0.6107551899999990  0.5305800499999975
  0.5083365799999982  0.4072181200000031  0.4141479299999986
  0.4699275600000021  0.6454602299999976  0.3031270800000030
  0.2047777900000014  0.6346072600000028  0.5429331699999977
  0.4683273099999994  0.5567730300000022  0.4411410900000021
  0.1134070100000031  0.5555226600000012  0.4739552200000006
  0.1159569300000030  0.5128126500000008  0.3842882100000011
  0.0965191599999997  0.4923774800000018  0.5478654799999987
  0.0837413699999985  0.6140718500000020  0.4724399300000002
  0.0714052900000013  0.4864608500000003  0.3679660800000022
  0.1481831500000013  0.4572300100000035  0.3840537900000029
  0.1282304799999991  0.5601858799999988  0.3323933200000013
  0.4638909000000027  0.5739026999999979  0.5157184400000006
  0.0940582300000017  0.5255275399999988  0.6115318900000020
  0.1287464299999996  0.4371114200000008  0.5539829800000007
  0.0522032599999989  0.4645625300000020  0.5333539000000016
 
  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