Fe  H  C  N Cl  O                       
   1.00000000000000     
     8.1157599999999999    0.0000000000000000    0.0000000000000000
    -2.7056705790000000   22.6857203759999990    0.0000000000000000
    -2.7056150760000000  -11.3420197040000001   19.6471355920000015
   Fe   H    C    N    Cl   O 
     6    16    37    18     6     7
Direct
  0.4996476265796446  0.1926602200094010  0.3065199999155155
  0.4940350869254573  0.8052790410367692  0.6947109381968986
  0.1931344919189257  0.1931875526908229  0.3862379818404591
  0.7955480063586648  0.8006644684562261  0.6038783589823140
  0.8071605674049920  0.1138552792905685  0.3067459870564520
  0.1954392321008314  0.8894566774372734  0.6943785742261070
  0.6398461943699374  0.3817753970821940  0.3916224817592706
  0.3484661583541069  0.6206692745813953  0.6078326249686299
  0.2528999540932304  0.1051962080072002  0.4889827300785683
  0.7545466974727333  0.8905486779664784  0.5123265909611092
  0.7610322337664854  0.0105340083684808  0.1172684938835644
  0.2362164689939803  0.9870315917544090  0.8795093777963245
  0.7513260568669153  0.0099150807155866  0.3920642764402018
  0.2555809036071111  0.9875479373279816  0.6075934043464741
  0.2352401549440017  0.3840531271052470  0.4891573102347451
  0.7539714983819650  0.6210752771855397  0.5114979714443422
  0.3554548565793496  0.1065224638080693  0.1170460696029565
  0.6407238547373808  0.8926125678352363  0.8800865611697972
  0.9771284738457311  0.7603506335565768  0.4778365760260073
  0.1019856136163639  0.7141587368067306  0.4177876190431675
  0.2034993209363947  0.7790500955947479  0.5024213302635019
  0.1041530703372686  0.8018798800157398  0.4443161680807322
  0.1647914208472727  0.6826105830853066  0.6049930252855731
  0.8240603494959018  0.3202109489454585  0.3956108494087474
  0.4312121500254520  0.1024967871364595  0.4231207119772193
  0.5769111754697818  0.8957407013826071  0.5789897436566775
  0.0060842843488302  0.0761593443364035  0.1796399268215509
  0.9904208247853177  0.9216957080757027  0.8172310882069667
  0.5711425139284145  0.0753922094947299  0.3957396213606756
  0.4363097035662449  0.9229775465203858  0.6054821551108915
  0.9974583988702790  0.6829650158214875  0.5783840574005623
  0.9914113898736545  0.3206547802735003  0.4231314005582121
  0.1731167426480482  0.1034017068966264  0.1795757953356087
  0.8232757148533807  0.8954247468096526  0.8174051593830924
  0.2206369818106850  0.6217281096930662  0.5883229107812866
  0.7674847805967318  0.3809789537305335  0.4116508466146698
  0.3606689282902522  0.0857873698398848  0.4677384118905294
  0.6480221154407246  0.9112562847420094  0.5335765079296664
  0.8898289321523478  0.0315227256833879  0.1186081293676651
  0.1072374549142978  0.9662812586449547  0.8782012990751511
  0.6435729782214565  0.0307217850418482  0.4119694681241839
  0.3642131052986173  0.9669861773057278  0.5884170720900102
  0.1062175459254746  0.3820983028467353  0.4677989805161431
  0.8817540274885616  0.6218509969551462  0.5329657318730838
  0.2280192172677076  0.0869130942517558  0.1184503455530503
  0.7682369695282460  0.9119346001884594  0.8785219565048550
  0.1058776088293598  0.5621440091266479  0.5440355389185711
  0.8815161067916009  0.4411798783114449  0.4556175610476743
  0.4332199164440453  0.0419344656019263  0.4834124524425505
  0.5755118251149369  0.9546120190285308  0.5169583093901835
  0.9452569597216254  0.0156290039543450  0.0587968660668494
  0.0516282893483009  0.9824934466625095  0.9380156162562514
  0.5731302835901886  0.0145625260292803  0.4559356735771445
  0.4355501886539699  0.9821202248384466  0.5441856880324849
  0.0489172612706668  0.4415411633405242  0.4833635903580245
  0.9386966127142742  0.5620922044535561  0.5165073530684055
  0.1125058266393140  0.0429899989610760  0.0586940520973229
  0.8843341896448038  0.9554320578231312  0.9381525318889317
  0.0964667079630814  0.7637354871881854  0.4605511046447077
  0.7444772938071580  0.2534794695736622  0.3548313680310073
  0.2462846151568243  0.7489224914240324  0.6461226849357615
  0.3908991870814802  0.1436203926676640  0.3977485656067827
  0.6159846297618827  0.8562970040617444  0.6066701145409397
  0.9921513223761593  0.1018096909473130  0.2462318223105200
  0.0034675690701604  0.8956299512886119  0.7505806600125808
  0.6101102478109368  0.1012581294162018  0.3548868468561466
  0.3952243886702931  0.8980948473538604  0.6467762153163008
  0.0066169642612621  0.2541860773796500  0.3978422179354624
  0.9846746940832460  0.7499543824930441  0.6058969738493190
  0.2538115569322201  0.1443995392445174  0.2461570022435851
  0.7428117427742933  0.8547945854864381  0.7508936827415766
  0.8572714289141175  0.2161832853564718  0.3576297403302391
  0.1347890723326230  0.7870124394703950  0.6447514926887337
  0.5001956354688772  0.1413674229371935  0.3576022554076985
  0.5046683176375097  0.8584316441454192  0.6454996933580475
  0.1418501342623841  0.1419387923265987  0.2838474837151708
  0.8538781498572590  0.8561031314896539  0.7126575746594455
  0.6077943686168652  0.1077759171872543  0.2156171814544265
  0.3901830890391906  0.8926146047513299  0.7852045367000784
  0.3916177987893690  0.2836173279114647  0.3922734672395833
  0.6068592369843699  0.7138135750182926  0.6238690593142238
  0.0005757714896504  0.1086462844816225  0.3923365807654235
  0.0105924624560032  0.9069551134260649  0.6213796379036083
  0.1603491840407614  0.5020300428883218  0.5270289886031136
  0.8276911209864153  0.5012190415819759  0.4719181560377379
  0.3646858742550094  0.0251646656617552  0.5269765636582591
  0.6430570930771822  0.9709765826735008  0.4725854288795475
  0.1650727897818456  0.0261995466677476  0.9983658894269993
  0.8319741650397603  0.9720877461655704  0.9986096908695856
  0.7454975334446345  0.7569214422712918  0.5200218602939870
 
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