 H C N O
   1.0
     5.5073936000000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.5073936000000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.6081140899999999
 H C N O
   8   2   4   2
Direct
   0.6435794200000000  0.8564205800000000  0.9550041100000000
   0.8564205800000000  0.3564205800000000  0.0449958900000000
   0.1435794200000000  0.6435794200000000  0.0449958900000000
   0.3564205800000000  0.1435794200000000  0.9550041100000000
   0.2361960500000000  0.2638039500000000  0.2826751100000000
   0.7361960500000000  0.2361960500000000  0.7173248900000000
   0.2638039500000000  0.7638039500000000  0.7173248900000000
   0.7638039500000000  0.7361960500000000  0.2826751100000000
   0.0000000000000000  0.5000000000000000  0.6713314699999999
   0.5000000000000000  0.0000000000000000  0.3286685300000000
   0.8525677000000000  0.3525677000000000  0.8224019900000000
   0.3525677000000000  0.1474323000000000  0.1775980100000000
   0.1474323000000000  0.6474323000000000  0.8224019900000000
   0.6474323000000000  0.8525677000000000  0.1775980100000000
   0.5000000000000000  0.0000000000000000  0.6065762200000000
   0.0000000000000000  0.5000000000000000  0.3934237800000000