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
  0.4933464000000001  0.6059801800000031  0.5326960299999968
  0.3655638500000009  0.4393661300000034  0.4360883900000019
  0.3218605699999983  0.6720174100000023  0.3133776100000034
  0.2903552000000005  0.6584559200000015  0.5782312400000009
  0.3016563600000026  0.5756872799999968  0.4442087099999981
  0.1687976899999981  0.5396833499999971  0.4547759200000030
  0.1558593700000017  0.4876484500000018  0.3706013500000012
  0.1568941600000002  0.4881074600000019  0.5399682799999965
  0.1441596399999980  0.6034229999999994  0.4543394399999983
  0.1079159100000027  0.4678387599999994  0.3700333000000029
  0.1831293400000007  0.4264184199999974  0.3672782000000012
  0.1640960000000007  0.5269180100000028  0.3102406799999997
  0.4228415299999995  0.6201464700000017  0.5524864400000027
  0.1658538200000024  0.5276470700000004  0.5995700300000024
  0.1842614400000002  0.4269969099999997  0.5439728699999975
  0.1090146700000005  0.4682445999999985  0.5416100699999973
 
  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