 H O K Br
   1.0
     6.6954555200000003    0.0000000000000000   -0.0200492500000000
     0.0000000000000000    4.2264498200000000    0.0000000000000000
    -2.6469202799999998    0.0000000000000000    8.0926009099999998
 H O K Br
   2   2   4   2
Direct
   0.1540379600000000  0.7500000000000000  0.7867661200000000
   0.8459620400000000  0.2500000000000000  0.2132338800000000
   0.3080730200000000  0.7500000000000000  0.8264169000000000
   0.6919269800000001  0.2500000000000000  0.1735831000000000
   0.2896629500000000  0.2500000000000000  0.0345700500000000
   0.7103370500000000  0.7500000000000000  0.9654299500000000
   0.7051428800000000  0.7500000000000000  0.3833618200000000
   0.2948571200000000  0.2500000000000000  0.6166381800000000
   0.1769951600000000  0.7500000000000000  0.2993578400000000
   0.8230048400000000  0.2500000000000000  0.7006421600000000