C 
 1.0000000000000000
     2.5091310254098671   -0.0000000000000000    0.0000000000000000
    -1.2545655127049335    2.1729712094286429    0.0000000000000000
     0.0000000000000000    0.0000000000000001   43.3425823437076474
 C  
  42
Selective dynamics
Cartesian
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