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
  0.5563784599999977  0.6091635200000027  0.5312853799999999
  0.4607456700000014  0.4179341199999982  0.4214614099999991
  0.4205718999999988  0.6543126199999989  0.3065439200000029
  0.2333035899999985  0.6425568100000021  0.5546991900000009
  0.4127703199999999  0.5630777800000004  0.4421636300000031
  0.1318705699999967  0.5502428899999998  0.4675621199999966
  0.1292577399999999  0.5044245799999985  0.3797259199999985
  0.1166441599999999  0.4909541399999995  0.5452330800000027
  0.1038807899999981  0.6105222400000017  0.4664064299999993
  0.0835755000000020  0.4802534900000026  0.3686551500000022
  0.1598318799999987  0.4469594799999967  0.3784619300000003
  0.1401856600000002  0.5490965899999978  0.3250091100000034
  0.4502077799999995  0.5893172899999968  0.5279744400000013
  0.1179900899999993  0.5262340499999993  0.6075445999999971
  0.1472514399999980  0.4337399200000007  0.5506462800000023
  0.0711403999999973  0.4657898900000035  0.5361059600000004
 
  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