# 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
  0.6451295265832449  0.5717506006431012  0.4999997759344320
  0.5000000000000000  0.3563726355847904  0.4999997018990118
  0.3548704734167541  0.5717506006431012  0.4999997759344320
  0.5000000000000000  0.5000251631290556  0.5000020438147625

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