Fe  H  C  N Cl  O                       
   1.00000000000000     
     8.0575827439999994   -0.0001664700000000   -0.9700265500000000
    -4.0415789980000003   19.6467899529999990  -10.9377119139999994
     0.0252772740000000    0.0005699830000000   22.8466471230000003
   Fe   H    C    N    Cl   O 
     6    12    36    18     6     6
Direct
  0.4999967977887465  0.1936346152121899  0.3063631074116273
  0.5000022209811306  0.8063636813946715  0.6936369695343387
  0.1936747118456097  0.1936566494608414  0.3872502694577094
  0.8063231003770994  0.8063441920723378  0.6127500992285704
  0.8063166402296247  0.1127471522536894  0.3063414242590738
  0.1936866130200983  0.8872521623731018  0.6936584444448073
  0.6417487074633144  0.3812740973248481  0.3942700858021766
  0.3582644813117000  0.6187252174500699  0.6057275786108036
  0.2474068560656590  0.1056988764615667  0.4869648933390138
  0.7525954327247675  0.8943034919609403  0.5130394603112194
  0.7604469823682933  0.0130580582860134  0.1187110313321611
  0.2395570371439959  0.9869427833175095  0.8812887255359101
  0.7525867934577306  0.0130387985098537  0.3943057265313001
  0.2474130093824627  0.9869635698565560  0.6056998346461668
  0.2395371046101076  0.3812837795415831  0.4869383865998103
  0.7604591819838404  0.6187140081016622  0.5130600175763860
  0.3582492090058835  0.1057318763288464  0.1187266574854675
  0.6417453922594376  0.8942699831703464  0.8812731868133667
  0.1742894063839913  0.6809552539603416  0.6038285474209033
  0.8257143256471906  0.3190425337368126  0.3961701729006464
  0.4295762279701094  0.1037971344501614  0.4228429427077316
  0.5704324868729245  0.8962031980784531  0.5771611468083719
  0.0068323849275984  0.0771595767269702  0.1809537650828190
  0.9931715974671036  0.9228387199158306  0.8190465226267207
  0.5704223838526374  0.0771581072874383  0.3962068463550636
  0.4295709846593070  0.9228462968966156  0.6038016047745884
  0.0068269556306220  0.6809535908133100  0.5771576223131021
  0.9931673046075247  0.3190401250486801  0.4228356825770305
  0.1742866255422726  0.1038289652853166  0.1809553910667034
  0.8257131470766979  0.8961708581839147  0.8190485127705287
  0.2299535244194288  0.6199594832768156  0.5869175979388217
  0.7700420166010602  0.3800367775803082  0.4130743535280530
  0.3569365207637958  0.0868962961202868  0.4669291077036632
  0.6430633095390661  0.9131086171178850  0.5330789860867284
  0.8900229810765410  0.0331173581425332  0.1199735799180246
  0.1099678617318460  0.9668819563816839  0.8800261995132601
  0.6430657878536152  0.0330757129618675  0.4131106615569919
  0.3569419680472166  0.9669276734133021  0.5868961623600981
  0.1099674070995107  0.3800230067585488  0.4668826640386996
  0.8900321317072368  0.6199763079175256  0.5331144207744458
  0.2299432054569053  0.0869236098239483  0.1199588019331514
  0.7700471393829886  0.9130746868343849  0.8800369674494846
  0.1141779927643611  0.5602619732500145  0.5433497386882635
  0.8858290368728561  0.4397398865169464  0.4566445056107256
  0.4291664808591662  0.0433458134654856  0.4830860669290900
  0.5708352934114913  0.9566555369386336  0.5169195283085912
  0.9460845806478630  0.0169433860478208  0.0602613166737598
  0.0539119975650095  0.9830574555399210  0.9397368111399231
  0.5708257909358849  0.0169139457549079  0.4566554550635047
  0.4291663161035544  0.9830879136119322  0.5433482225806259
  0.0539030249318486  0.4397361432364804  0.4830535771304980
  0.9460860914153102  0.5602621535272405  0.5169382008341685
  0.1141733342254767  0.0433554112792933  0.0602609282917754
  0.8858180203441393  0.9566449212378885  0.9397384848247370
  0.7450002869249062  0.2525008677316123  0.3552894113371465
  0.2549925328310323  0.7474974288811538  0.6447086516089868
  0.3897370468253385  0.1446831008693721  0.3971820158213646
  0.6102729144409977  0.8553172317190558  0.6028203758402597
  0.9925990149632540  0.1028124277864819  0.2474892741978536
  0.0073952644619197  0.8971838328710291  0.7525091891232591
  0.6102518299962512  0.1028177665318992  0.3553196030710737
  0.3897397941239049  0.8971856197264501  0.6446865358644018
  0.0073942643100864  0.2525076541519269  0.3971842590747983
  0.9926112148714310  0.7474911514963480  0.6028158981682452
  0.2549825883284171  0.1447056433198313  0.2474944568008937
  0.7450286207404986  0.8552946893411217  0.7525057993699136
  0.8573579169881214  0.2148136679623178  0.3573981737334435
  0.1426418652857677  0.7851861555958664  0.6426026666493954
  0.4999949098020693  0.1425988432786838  0.3574013885041580
  0.5000056703348790  0.8574050521661363  0.6426005597467679
  0.1426326171262673  0.1425984194354584  0.2851835466975814
  0.8573708617828473  0.8573988592906261  0.7148144815086752
  0.6075640545856444  0.1076286980144445  0.2153018309361769
  0.3924255417994331  0.8923706164499592  0.7846996463495799
  0.3924175838899018  0.2846944309270469  0.3923635313225375
  0.6075831656018309  0.7153023388608375  0.6076319488412594
  0.0000008962251243  0.1076840744174490  0.3923078167580627
  0.0000079775558746  0.8923133840266431  0.6076902398494184
  0.1677325941370356  0.4999965959060759  0.5260252731577424
  0.8322743778162902  0.5000001740919444  0.4739647811880801
  0.3582214554779881  0.0260134004298536  0.5260137882683154
  0.6417800794633379  0.9739874411302836  0.4739867384906518
  0.1677300942814668  0.0260341726094566  0.0000020538947538
  0.8322665210489930  0.9739692139390073  0.9999955430774605
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
