O atom
 1.0000000000000000
     7.000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   8.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   9.000000000000000
 O 
  1
Cartesian
3.5 4.0 4.5 
