c1 h1 n1                                
   1.00000000000000     
     AAA.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    AAA.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.2454423810105464
   C        H N
     1     1     1
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.0000000000000000  0.0000000000000000  0.2565630611230324
  0.0000000000000000  0.0000000000000000  0.7268750351113417

