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
  0.5091044099999991  0.6067760099999973  0.5323433699999995
  0.3893593000000024  0.4340081300000023  0.4324316399999972
  0.3465384100000009  0.6675912099999977  0.3116691900000035
  0.2760923000000020  0.6544811400000015  0.5723482300000029
  0.3294348499999984  0.5725349100000017  0.4436974400000011
  0.1595659099999978  0.5423232300000009  0.4579724700000014
  0.1492089600000028  0.4918424800000025  0.3728824900000021
  0.1468316599999966  0.4888191300000031  0.5412844800000016
  0.1340899300000018  0.6051978099999999  0.4573561799999979
  0.1018308100000027  0.4709424400000017  0.3696887600000025
  0.1773049700000016  0.4315536800000004  0.3700741299999990
  0.1581184100000002  0.5324626600000002  0.3139327900000026
  0.4296830899999975  0.6124391800000026  0.5463584399999988
  0.1538878900000000  0.5272938199999970  0.6015636799999982
  0.1750089399999979  0.4286826599999998  0.5456412200000003
  0.0995460999999978  0.4676309199999977  0.5402340400000014
 
  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