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
  0.5721364699999967  0.6099593499999969  0.5309327100000019
  0.4845411200000029  0.4125761199999971  0.4178046700000024
  0.4452497300000005  0.6498864200000014  0.3048355000000029
  0.2190406899999999  0.6385820400000028  0.5488161800000029
  0.4405488199999965  0.5599253999999974  0.4416523599999991
  0.1226387900000034  0.5528827799999974  0.4707586700000022
  0.1226073300000010  0.5086186200000000  0.3820070599999994
  0.1065816600000034  0.4916658100000006  0.5465492800000007
  0.0938110800000018  0.6122970400000014  0.4694231799999997
  0.0774904000000021  0.4833571699999979  0.3683106200000026
  0.1540075099999996  0.4520947500000005  0.3812578599999981
  0.1342080699999997  0.5546412400000023  0.3287012099999984
  0.4570493399999975  0.5816099999999977  0.5218464399999974
  0.1060241599999969  0.5258808000000030  0.6095382499999999
  0.1379989300000020  0.4354256700000008  0.5523146299999979
  0.0616718300000016  0.4651762100000028  0.5347299299999975
 
  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