# 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
  0.6364288981914278  0.5674715787611763  0.4758937550592646
  0.5000000000000000  0.3649038665821928  0.4760981130880405
  0.3635711018085711  0.5674715787611763  0.4758937550592646
  0.5000000000000000  0.5000519758954735  0.5250250097325438

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