H  O 
 1.0000000000000000
     2.1874501634971693    0.0000000000000000    0.0000000000000000
    -0.0000000000000000    2.4751054456191772    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.1065161747917660
 H   O  
  32  16
Selective dynamics
Cartesian
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