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
  0.5406204399999979  0.6083676800000006  0.5316380399999971
  0.4369502099999991  0.4232921300000001  0.4251181599999967
  0.3958940699999971  0.6587388199999964  0.3082523499999965
  0.2475664899999970  0.6465315900000022  0.5605822099999997
  0.3849918299999970  0.5662301500000027  0.4426749000000001
  0.1411023499999970  0.5476030100000031  0.4643655699999982
  0.1359081499999988  0.5002305499999977  0.3774447799999976
  0.1267066600000035  0.4902424699999983  0.5439168799999976
  0.1139505100000022  0.6087474300000011  0.4633896799999988
  0.0896606000000020  0.4771498100000002  0.3689996900000025
  0.1656562399999970  0.4418242200000009  0.3756660000000025
  0.1461632399999999  0.5435519500000012  0.3213170000000005
  0.4433662200000015  0.5970245899999966  0.5341024399999981
  0.1299560200000016  0.5265873099999965  0.6055509600000022
  0.1565039400000003  0.4320541700000007  0.5489779199999987
  0.0806089599999993  0.4664035600000034  0.5374819900000034
 
  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