No title                                
           1
    10.906440    0.000000    0.000000
    -5.453220    9.445254    0.000000
     0.000000    0.000000   27.901500
   Ru   O    S    H 
    96     4     1     2
Direct configuration=     1
   0.12024218  0.19692908  0.69983506
   0.17025756  0.08635826  0.32044831
   0.08367916  0.16674375  0.54332616
   0.17115308  0.08435530  0.46939920
   0.09164593  0.17704283  0.39136859
   0.17456532  0.09450200  0.63211288
   0.13130842  0.43086952  0.70196348
   0.16691763  0.33458184  0.31920151
   0.08465761  0.41993417  0.54786122
   0.17289721  0.33654286  0.47068846
   0.09103554  0.41825688  0.39309468
   0.18328883  0.35588798  0.63239139
   0.09715755  0.67091728  0.69536537
   0.16982725  0.59014345  0.32052283
   0.08271515  0.67167704  0.54472189
   0.16960358  0.58633470  0.46944038
   0.08742893  0.67002232  0.39027084
   0.17419709  0.57671904  0.62638307
   0.10190164  0.93357503  0.69866914
   0.16825450  0.83535792  0.31998080
   0.08484099  0.91421529  0.54357640
   0.17163542  0.83807127  0.46834258
   0.08787447  0.91829267  0.39144670
   0.16692345  0.83557627  0.63155810
   0.37491750  0.17578012  0.61455492
   0.42271292  0.08580575  0.31906918
   0.33646342  0.16986834  0.54274285
   0.42247849  0.08734504  0.47015624
   0.34173714  0.17150599  0.39340584
   0.42364414  0.10254499  0.63455949
   0.31336396  0.35578419  0.67066150
   0.42414255  0.33660959  0.31996221
   0.34010660  0.42085057  0.54305024
   0.42090326  0.33751334  0.47251978
   0.33365506  0.41794572  0.39357069
   0.43271399  0.35597294  0.62450525
   0.33194059  0.67721902  0.66435542
   0.42233589  0.58936500  0.32146078
   0.33644290  0.67205030  0.54107946
   0.42348785  0.58649252  0.47342661
   0.33929103  0.67080824  0.39292128
   0.43631354  0.59625151  0.62701668
   0.33588206  0.92657267  0.69482930
   0.42262074  0.84071946  0.31842856
   0.33527199  0.92374718  0.54503641
   0.42216975  0.83957183  0.46870187
   0.33846235  0.92146504  0.39356620
   0.44037444  0.84266213  0.62205479
   0.59043028  0.17700783  0.69996727
   0.67318361  0.08758543  0.31962627
   0.58715942  0.17482504  0.54994092
   0.67241995  0.08955182  0.46932559
   0.58727029  0.17346638  0.39053718
   0.66294363  0.08019627  0.63074253
   0.55676246  0.39455267  0.70749467
   0.67177496  0.33752809  0.31905288
   0.58116766  0.41462859  0.54949970
   0.67191543  0.33343053  0.46831963
   0.58850475  0.42013539  0.39170038
   0.66516611  0.33836956  0.63041389
   0.55785009  0.66280259  0.70783415
   0.67377173  0.58989877  0.32005614
   0.59083215  0.67440242  0.54658940
   0.67349964  0.58557331  0.46815235
   0.58865330  0.67081445  0.39058678
   0.66978995  0.58947501  0.62613024
   0.57733899  0.90543382  0.69776836
   0.67256351  0.83851285  0.31879615
   0.58797945  0.91764283  0.54992559
   0.67327516  0.84207541  0.46746258
   0.58741713  0.91811795  0.39145066
   0.67456161  0.84289274  0.62658570
   0.84301581  0.17692461  0.69171337
   0.91978178  0.08691878  0.31927446
   0.83890141  0.17232597  0.54840457
   0.91674527  0.08323499  0.46923990
   0.84118928  0.17264985  0.39347612
   0.90856688  0.08187238  0.62141643
   0.83564312  0.41922810  0.69577172
   0.91853099  0.33601058  0.31941708
   0.83419384  0.42149421  0.55030041
   0.91352837  0.33406156  0.46760094
   0.83778011  0.42007955  0.39313436
   0.91775308  0.33777347  0.62692902
   0.83169295  0.66945355  0.69899279
   0.92380121  0.58689457  0.31970081
   0.83347222  0.66631118  0.54682159
   0.92093621  0.58627985  0.47043461
   0.83973420  0.67050477  0.39353566
   0.92502468  0.58789347  0.62677790
   0.83856543  0.92360066  0.69734634
   0.92344697  0.84020733  0.31937748
   0.83562209  0.91866754  0.54902045
   0.91951884  0.83647539  0.47100966
   0.83686574  0.91967943  0.39330759
   0.92031703  0.83873810  0.62775608
   0.52855142  0.39867526  0.81840313
   0.62145048  0.61025146  0.85059389
   0.41251831  0.47488336  0.91849514
   0.50357050  0.49279654  0.78897878
   0.37530271  0.49084291  0.80393359
   0.45239121  0.32491896  0.82297698
   0.50944176  0.60249259  0.79604277