Au   C    H    S    Br                  
   4.11400000000000     
     6.3639610306789276    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.1237243569579451    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.0000000000000000
   Au   C    H    S    Br
   360    12     9     1     1
Selective dynamics
Direct
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  0.8888888888888857  0.7999999999999972  0.1000000000000014   F   F   F
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  0.5000000000000000  0.8999999999999986  0.1000000000000014   F   F   F
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  0.6111111111111143  0.2999999999999972  0.1000000000000014   F   F   F
  0.6111111111111143  0.5000000000000000  0.1000000000000014   F   F   F
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  0.6111111111111143  0.8999999999999986  0.1000000000000014   F   F   F
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  0.8333333333333357  0.8999999999999986  0.1000000000000014   F   F   F
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  0.9444444444444429  0.8999999999999986  0.1000000000000014   F   F   F
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  0.0000000000000000  0.5333333333333314  0.2154700538379259   F   F   F
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  0.5555555555555571  0.9333333333333300  0.2154700538379259   F   F   F
  0.6666666666666643  0.1333333333333329  0.2154700538379259   F   F   F
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