 N Br Th
   1.0
     4.0723362600000002    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.0723362600000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.4508580599999998
 N Br Th
   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.6311511800000000
   0.0000000000000000  0.5000000000000000  0.3688488200000000
   0.0000000000000000  0.5000000000000000  0.8464037500000000
   0.5000000000000000  0.0000000000000000  0.1535962500000000