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
     0.304199100         0.706251681         0.499885976
     0.293744773         0.597955227         0.499883473
     0.402043134         0.695799470         0.499890119
     0.267946243         0.639066875         0.499907523
     0.389739841         0.585593402         0.499961346
     0.456096798         0.608129799         0.500121653
     0.486474007         0.566321850         0.500271618
     0.556698561         0.596412003         0.500204563
     0.588021815         0.558487833         0.499684393
     0.549608648         0.488066971         0.499439478
     0.479108989         0.457462847         0.499813318
     0.448524415         0.495811850         0.500055134
     0.580225885         0.448383749         0.498175949
     0.605543613         0.413022518         0.496237636
     0.635910630         0.372999728         0.494860530
     0.706188738         0.403434038         0.495064676
     0.360930413         0.628882527         0.499907821
     0.414406925         0.804148734         0.499968380
     0.391874939         0.847976863         0.500127673
     0.433688283         0.920164406         0.500270128
     0.403598994         0.960291564         0.500175893
     0.441518605         0.029541766         0.499653012
     0.511939764         0.061563436         0.499439865
     0.542540848         0.021655150         0.499812335
     0.504200578         0.952727437         0.500066876
     0.551607549         0.131890267         0.498283654
     0.586984754         0.192560658         0.496457636
     0.627017021         0.262953967         0.494939089
     0.596557379         0.302732766         0.494850248
     0.371116310         0.732050300         0.499910444
     0.195849597         0.610265434         0.499967754
     0.152021453         0.543886960         0.500133216
     0.079834171         0.513504207         0.500322938
     0.039708253         0.443262875         0.500414252
     0.970461607         0.411926270         0.499937713
     0.938424706         0.450322747         0.499514878
     0.978319407         0.520829678         0.499821991
     0.047262393         0.551426589         0.500067890
     0.868076742         0.419644982         0.498269558
     0.807428002         0.394363552         0.496409893
     0.737044811         0.364019841         0.494921505
     0.697235227         0.293807894         0.494816810
     0.352859735         0.532423913         0.499881983
     0.489790261         0.662231028         0.500078440
     0.586785197         0.650836349         0.500282228
     0.642329812         0.582520247         0.499504566
     0.449204832         0.403111935         0.499389201
     0.394134432         0.470763683         0.499961257
     0.736731231         0.457658708         0.495464295
     0.467578024         0.820453703         0.499887139
     0.337777287         0.827585101         0.500055134
     0.349171549         0.935954750         0.500279963
     0.417474747         0.059818119         0.499558508
     0.596897900         0.046139758         0.499440610
     0.529267192         0.923402011         0.499983817
     0.542328477         0.279041052         0.495054513
     0.179540440         0.647121489         0.499896497
     0.172438741         0.510207176         0.500068724
     0.064062826         0.413189113         0.500442743
     0.940202653         0.357612669         0.499660403
     0.953801811         0.550671101         0.499473989
     0.076570943         0.605816901         0.499975741
     0.720929563         0.263278991         0.495220333
     0.664778411         0.345791519         0.662561178
