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  SYMMETRY
Water
 
  H    0.000000  0   0.000000  0    0.000000  0     0     0     0  0.2421
  O    0.940718  1   0.000000  0    0.000000  0     1     0     0 -0.4843
  H    0.940718  0 106.196661  1    0.000000  0     2     1     0  0.2421
 
   2  1    3