# Compound: H3N. Old comment: H3N       
   1.0000000000000000     
     6.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    7.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.0000000000000000
   H    N 
     3     1
Direct
  0.6364263429499204  0.5674650280719530  0.5241041212472834
  0.5000000000000000  0.3649251445814901  0.5239173423423465
  0.3635736570500783  0.5674650280719530  0.5241041212472834
  0.5000000000000000  0.5000437992745496  0.4749858016264043

             NaN             NaN             NaN
             NaN             NaN             NaN
             NaN             NaN             NaN
             NaN             NaN             NaN
