Fe                                      
1.0
       23.1145992279         0.0000000000         0.0000000000
      -11.5572996140        20.0178301297         0.0000000000
        0.0000000000         0.0000000000        10.0000000000
    N    C    H   Ag
    3   39   21    1
Direct
     0.304901600         0.706897914         0.494130939
     0.293135881         0.598001122         0.494114161
     0.402019203         0.695124209         0.494156897
     0.267978072         0.639761746         0.494326353
     0.388607979         0.584437966         0.495527714
     0.454943001         0.606891870         0.499053478
     0.486100942         0.565744519         0.500103533
     0.556419492         0.596722484         0.500517130
     0.588558912         0.559559107         0.500393152
     0.550727010         0.489072591         0.500153780
     0.480157584         0.457674176         0.500214934
     0.448839813         0.495198250         0.500172317
     0.581713200         0.449714839         0.499919713
     0.607381701         0.414654195         0.499136925
     0.637022614         0.373899400         0.498172253
     0.707027197         0.403168291         0.498151660
     0.360277742         0.628216624         0.494253755
     0.415566802         0.804137170         0.495795250
     0.393130034         0.848049819         0.499092370
     0.434279591         0.920364380         0.500131011
     0.403284043         0.959696710         0.500533998
     0.440455258         0.029005984         0.500391185
     0.510948300         0.061681781         0.500120401
     0.542377234         0.022531979         0.500101209
     0.504839778         0.953672707         0.500114739
     0.550287306         0.132015556         0.499950826
     0.585262060         0.192757815         0.499312997
     0.626011729         0.263137102         0.498280108
     0.596738875         0.303842455         0.498051345
     0.371817499         0.732055008         0.494334966
     0.195896760         0.611449420         0.495786935
     0.151987061         0.545095086         0.499047577
     0.079674512         0.513934553         0.499982893
     0.040345952         0.443638206         0.500338972
     0.971032143         0.411487460         0.500289440
     0.938352168         0.449304223         0.500139534
     0.977525532         0.519873202         0.500196993
     0.046380747         0.551188767         0.500074327
     0.868001521         0.418288738         0.499954969
     0.807249069         0.392514676         0.499302685
     0.736822307         0.362862766         0.498399377
     0.696057200         0.292875737         0.498369545
     0.351617724         0.531322420         0.493991107
     0.488336951         0.661022723         0.500533342
     0.585881770         0.651202440         0.500652671
     0.642921627         0.584193110         0.500643671
     0.450955153         0.403264940         0.500286996
     0.394422680         0.469644397         0.500178695
     0.738393188         0.457341552         0.499026895
     0.468688548         0.820262432         0.494470954
     0.338994503         0.827327490         0.500410676
     0.348792195         0.934679091         0.500686169
     0.415833622         0.058738254         0.500640213
     0.596788764         0.047729239         0.500206769
     0.530399680         0.924808741         0.500151575
     0.542598307         0.281051904         0.498762608
     0.179800242         0.648461282         0.494422227
     0.172737151         0.511706233         0.500417769
     0.065349720         0.414165467         0.500383496
     0.941319704         0.357141256         0.500385165
     0.952373981         0.549114227         0.500352144
     0.075233757         0.605609536         0.500222385
     0.718903124         0.261544675         0.499234915
     0.327112138         0.662427902         0.672906995
