Fe  H  C  N Cl  O                       
   1.00000000000000     
     8.1117699999999999    0.0000000000000000    0.0000000000000000
    -2.7048980829999998   14.4646646529999998    0.0000000000000000
    -2.7051321549999998   -7.2300025970000004   12.5279438279999997
   Fe   H    C    N    Cl   O 
     6    10    19    18     6     1
Direct
  0.2222395477696395  0.2184218439768628  0.4338668878648519
  0.7925716261344320  0.7917194700661554  0.5835235295085965
  0.5079603073913503  0.2090722738979025  0.2885988355023770
  0.5017785957285881  0.7931941869123378  0.7104877003125054
  0.7872300002948123  0.0793552456160427  0.2891543935488983
  0.2102458033479593  0.9169830658590854  0.7096695293388251
  0.2690923935931906  0.0827760565827518  0.5794669979102949
  0.7250614906516972  0.9206404302904900  0.4193449517436676
  0.3136224352192585  0.4972349340239148  0.5800504935022630
  0.6972067714839980  0.4969278461697542  0.4173518074302152
  0.3129567572285268  0.0810985957711736  0.0025247558924448
  0.6949014504808275  0.9232254716540993  0.0030866996636405
  0.0784931065603445  0.2950820463670212  0.6383832901713120
  0.8435030969282735  0.2637930191386602  0.6039482698740599
  0.9785387522110156  0.3808181275348304  0.7263035438954901
  0.9620298627400317  0.2511886373027252  0.7106289844708940
  0.4297763441011497  0.0686886365610846  0.4728349744640923
  0.5620839868414009  0.9325206441807694  0.5246814712969012
  0.1383185538079559  0.5916018693891729  0.5690167594835103
  0.8739295500443589  0.4043157117326928  0.4280207569270402
  0.9644803362384025  0.0271756224795539  0.0967477198685316
  0.0435237384381324  0.9779505314649839  0.9091859092266006
  0.5584936432597729  0.0233811375504089  0.4284701523008749
  0.4336192437092450  0.9778317664071707  0.5695818961170360
  0.1377633050278746  0.0707857095461790  0.0965409820322520
  0.8699552040922143  0.9334198203665451  0.9094014274343039
  0.0472338500172071  0.4040611533986507  0.4729291639030180
  0.9648014125504432  0.5914563810992703  0.5236150552765721
  0.3649062254593218  0.0476427584776431  0.5453879817635467
  0.6270511965362076  0.9537424580541014  0.4525579039816847
  0.1837751279583202  0.4979512479318799  0.5454462515011826
  0.8285322704586164  0.4976634826118911  0.4513214680419466
  0.1817706081517940  0.0481836471354811  0.0027538437650776
  0.8261295025857365  0.9564266270813278  0.0031369872454405
  0.9658905227855215  0.2978599964365429  0.6698234055970929
  0.3930804437937425  0.1309088057764995  0.4290153335448039
  0.6002377364517528  0.8691675343545882  0.5665678340715488
  0.7736906449243435  0.2991861189759177  0.3628113330011331
  0.2371477101701203  0.6972564903743574  0.6346085286741925
  0.9702647943701024  0.0683479118367600  0.2021049930269498
  0.0381391037880121  0.9368961728383667  0.8036897465565502
  0.5943094834272671  0.0627831091150668  0.3630284476400050
  0.3998997251610845  0.9379397885204170  0.6353157476816875
  0.2380054354508232  0.1344827376721511  0.2017769264218927
  0.7690581328421828  0.8689544560591429  0.8040529346473022
  0.0416903734376248  0.2982802187626206  0.4295964344900156
  0.9677754811516195  0.6965687035202919  0.5652643480227439
  0.4941281484773725  0.1258308738794796  0.3667082214826181
  0.5011629768831014  0.8748173693974977  0.6307148330550447
  0.8784522786196121  0.2403869899022766  0.3670506559681854
  0.1308627064646473  0.7553922144670864  0.6296436277412099
  0.1338666687048899  0.1309687703388249  0.2610883353970266
  0.8741319329018040  0.8736698457114755  0.7454383678770782
  0.4290568641621775  0.3507449144801313  0.4067754509411401
  0.5783224156843403  0.6527333051255368  0.5763826928934108
  0.5758642987066338  0.0724601092323880  0.1471135267928645
  0.4252433165479204  0.9243597688935594  0.8511883631028709
  0.9858531884592665  0.0593920736270093  0.4094087641530280
  0.9995939980715818  0.9224859697419703  0.5747024490889174
  0.2950116316376352  0.2867364493755602  0.5652787159032613
 
  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
  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
  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
