 H N Br
   1.0
     5.6646360600000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.6646360600000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.1084025400000002
 H N Br
   8   2   2
Direct
   0.0000000000000000  0.8484087900000000  0.8533573100000000
   0.0000000000000000  0.1515912100000000  0.8533573100000000
   0.3484087900000000  0.5000000000000000  0.8533573100000000
   0.6515912100000000  0.5000000000000000  0.8533573100000000
   0.1515912100000000  0.0000000000000000  0.1466426900000000
   0.5000000000000000  0.6515912100000000  0.1466426900000000
   0.5000000000000000  0.3484087900000000  0.1466426900000000
   0.8484087900000000  0.0000000000000000  0.1466426900000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.5583855500000000
   0.5000000000000000  0.0000000000000000  0.4416144500000000