Cu  H  C  I  N  O                       
   1.00000000000000     
    15.3920999999999992    0.0000000000000000    0.0000000000000000
    -5.6572460250000001   14.3214248699999995    0.0000000000000000
    -4.0098291149999996   -7.7181410359999996   12.7589769059999991
   Cu   H    C    I    N    O 
    16    52    33     8    24     1
Direct
  0.4326054212167065  0.1837161141911565  0.0988692125782293
  0.7593384098516296  0.0649239244474487  0.0688887523251722
  0.4165393601201188  0.3181070871524767  0.2496179766970386
  0.5041422304760061  0.4329904233501765  0.6918634671913892
  0.7483962122511514  0.8350561927614990  0.9402697479888360
  0.1948963414179516  0.1899610803485885  0.2582323037555341
  0.5986850239599519  0.6646516471191646  0.9127675428680675
  0.5664205903719477  0.3084942305113501  0.0018316515636130
  0.5659439595788953  0.8156888211730546  0.9014782364400347
  0.2420808163332353  0.9375839438334879  0.9333138611137457
  0.5872443556184876  0.6918977187888800  0.7514505332705212
  0.4919481346223762  0.5582176010264348  0.3024693929953912
  0.2517285335435631  0.1673420202208007  0.0714234383143548
  0.8077425080741207  0.8312386531797316  0.7348896442935526
  0.3996643088287684  0.3324150507828350  0.0835819366910613
  0.4307074695700237  0.6899580536164649  0.9965187721298321
  0.7308482039212123  0.2882345178567647  0.9695338498639998
  0.7222421600451767  0.1589049703922427  0.9125598459641893
  0.8241500150089180  0.2653757583498546  0.0397257557352901
  0.5020373625593422  0.0436627861011800  0.1659043680065437
  0.6390764706944623  0.1014761948034035  0.2411556994474253
  0.5675330344549110  0.9748618954533796  0.1211601848164676
  0.1820215128333373  0.2120181793432536  0.4418528257817371
  0.2550274412395552  0.3407284581965442  0.5625858603619278
  0.2740741057063119  0.2323265816672375  0.5565093543402355
  0.6227771520223229  0.4529379636268942  0.4559487835787479
  0.6404471573236279  0.3958183751742155  0.5359442258089189
  0.6469138838275299  0.5229190927711684  0.5895715663896652
  0.9433486325313751  0.2613559634700735  0.2321698692476630
  0.0639186911533614  0.3087327297769704  0.2230359080485371
  0.0590150409116106  0.2841329410777718  0.3255613698968816
  0.9583266310064502  0.8348963025461202  0.0054604691671827
  0.0387445196385485  0.8972163889369895  0.1420623309653948
  0.0921039245276205  0.9441943101117047  0.0685823014217135
  0.4699474353871977  0.2378905338607424  0.6806705634772285
  0.4128002784505469  0.1918244060111007  0.7540259748785871
  0.5393570074573191  0.2138118037780004  0.7730980369876974
  0.6675741653867107  0.6638329875190223  0.1200903498210337
  0.7430027857176356  0.6020001065251819  0.1382728421720358
  0.6217605450038590  0.5532721530258655  0.1432489464841424
  0.2642483253874701  0.7082737647158197  0.0254244523201095
  0.2769832517377040  0.8394517835241402  0.0862028364894059
  0.1737958393669530  0.7361968971086057  0.9585635345298442
  0.4986286971200613  0.9562291852616625  0.8344916742496054
  0.3618499516442029  0.8980010208030009  0.7578397602908851
  0.4321885972769550  0.0244611867618829  0.8778446800646620
  0.8132517326655986  0.7843809342414048  0.5452741274834025
  0.7429131498698496  0.6490526668680943  0.4314405489213939
  0.7154837623659134  0.7498001318760998  0.4266799791321745
  0.3787446730795310  0.5470572545987622  0.5449355423419888
  0.3596975046895423  0.6026991150506689  0.4638059966404668
  0.3520499544707718  0.4750340877736789  0.4106293191530312
  0.0577195750296298  0.7435365907466078  0.7675803532017156
  0.9370493114718030  0.6942887195103111  0.7761264929747824
  0.9425623768304092  0.7231722058084955  0.6760016938304787
  0.0477921422858643  0.1709118518968751  0.0028881626067303
  0.9606821180425698  0.1050851442004515  0.8663069211138819
  0.9140710805718442  0.0628913675951566  0.9448187020646657
  0.5291449141640996  0.7582298100346208  0.3173498964557169
  0.5866079144253220  0.8065382661888378  0.2454499309053020
  0.4594071608360224  0.7827050173076060  0.2255298384188507
  0.3332331165208942  0.3350525468200800  0.8765193386893628
  0.2585844270473672  0.3977023731291638  0.8585570834326575
  0.3797718715299965  0.4455909936789197  0.8533826873594919
  0.9496130034245382  0.9938893130908326  0.6773834660626861
  0.0013724768269299  0.0145450301772811  0.5908632060032062
  0.0637969871464961  0.9845868428479321  0.6820264715666866
  0.0733832456988566  0.1140959107797030  0.7284533915591069
  0.5978103997261073  0.1136165046856945  0.1052067113130946
  0.6722451906973248  0.1910430962522653  0.0319234060066762
  0.7411727291487082  0.2281144613904189  0.9859011496513190
  0.5747454996293015  0.0545925304364729  0.1609886133608427
  0.4924377254981280  0.3844633758836480  0.4826930909408418
  0.3417797583605164  0.3076009408292535  0.4800862988567260
  0.2584662405903018  0.2709647923713447  0.5118631413878347
  0.6071141778665421  0.4428356272244116  0.5179702141236859
  0.9847016432884530  0.9918331801218656  0.1005558681900780
  0.9820047034086699  0.1399811146835646  0.1746002063027774
  0.0136593612149554  0.2549553796685515  0.2426315231077965
  0.0203890749041946  0.9124964350477285  0.0772710858608434
  0.6079937663766515  0.5077459851428046  0.9897870411585501
  0.5342056667335271  0.3597326638676819  0.8398439842743954
  0.4864665890395798  0.2444108578879423  0.7571320232939058
  0.6626525659910669  0.5862180587610410  0.1042450354600533
  0.4014047732130024  0.8856018748103125  0.8937425064730320
  0.3257309717620345  0.8077485806409115  0.9660539470216989
  0.2563028269950536  0.7706070109556364  0.0115753795220499
  0.4254559873442005  0.9449458570157319  0.8384222401852170
  0.5072891210882773  0.6126444554081942  0.5148210588037898
  0.6561728413051142  0.6850696949750628  0.5127276307650988
  0.7370290708999150  0.7189398073891411  0.4775155598200769
  0.3930291323553590  0.5556887413963381  0.4818199801826637
  0.0181471851319941  0.0129383663956872  0.9071777529871454
  0.0195869217463098  0.8643170915294220  0.8292945490813040
  0.9875104179991609  0.7499353274860994  0.7582269386701910
  0.9837032076222556  0.0930845828244458  0.9326421771642330
  0.3935336698485088  0.4911060387669153  0.0069833185416357
  0.4662649266750378  0.6379839149203193  0.1577360014699565
  0.5128625754863663  0.7526673460362687  0.2413014791610877
  0.3387205764908501  0.4129096566101182  0.8924344078595681
  0.0219875084008763  0.0266637712254578  0.6696720327146295
  0.5891534261556330  0.4179447490605099  0.2440658073873934
  0.3275808107186933  0.0790363947956223  0.1693858383726408
  0.6680649573612030  0.8395954978225859  0.0884686921464066
  0.7520341127122450  0.6679737402864632  0.8215094421145110
  0.4134243981670025  0.5798393903547066  0.7519137365542647
  0.6724836081194070  0.9206961100946529  0.8337862885383274
  0.3300172198287825  0.1565808660412955  0.9107673824956422
  0.2548932860232753  0.3449835820225928  0.1759616007255431
  0.5515058351976947  0.1669824430608813  0.0852286204459389
  0.6730829133531557  0.1255815061990972  0.0716773771704169
  0.5997732099853508  0.2172044730369791  0.0395752734502182
  0.4192885817972538  0.3312170675966968  0.3835613181256434
  0.4468543885211886  0.3728579005405734  0.5459081908616454
  0.3234828975071764  0.2812963541194122  0.3818762300375909
  0.8851439654027473  0.9659573789464346  0.0558367653808460
  0.0481202362099751  0.1006708764572508  0.1745265326840482
  0.8834079894202631  0.0601084731205646  0.1038163176999802
  0.5907510028606495  0.5344570728316711  0.9165311675186771
  0.5723985500888347  0.3985995267319353  0.9446462744463560
  0.5446867136047473  0.4401741152572640  0.8211395064970404
  0.4466512815783688  0.8311626605826916  0.9131335596760266
  0.3261040144990375  0.8741242045725031  0.9271965994731772
  0.3976152631656262  0.7806905373203605  0.9581544108173006
  0.5822102402768010  0.6673795371939235  0.6134645479544076
  0.5506862061802948  0.6205588532256172  0.4491919722266147
  0.6764983489317089  0.7131721443630354  0.6117018674381143
  0.1168957516322848  0.0370054893413538  0.9524251113179361
  0.9547273229170656  0.9049254279075498  0.8308440463604043
  0.1179585217860151  0.9426936239317030  0.9020158971044054
  0.4122327596074982  0.4639587683830300  0.0796215878031958
  0.4274835220964803  0.5999339057236170  0.0529736831549670
  0.4574808004084048  0.5573161862993032  0.1754427503468037
  0.8114277108610892  0.9339549450484910  0.7013250408653136
 
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