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
  0.4323445197415694  0.1833652857930304  0.0985447351510373
  0.7607064453882515  0.0664395200362833  0.0711115010775956
  0.4172547635553840  0.3189042226447967  0.2498429163627520
  0.5056414595329386  0.4332857279128888  0.6921691343329428
  0.7490927804202627  0.8366028945349413  0.9413050974606065
  0.1959475811884772  0.1901298155001143  0.2587825046103305
  0.6008827657861175  0.6647863938043770  0.9117439498248103
  0.5664836113216865  0.3085153534166096  0.0021584802765062
  0.5664063857964763  0.8164974740225972  0.9006983933481223
  0.2419046496371706  0.9377066303773987  0.9327887406398006
  0.5890816522290407  0.6955557552641523  0.7513596168899568
  0.4903007339155110  0.5558705700026110  0.3009583000494516
  0.2521802641660145  0.1681030404253363  0.0728718303081806
  0.8113407851597003  0.8331455991357259  0.7297614901725709
  0.3997619534350108  0.3318604108145493  0.0827017720757652
  0.4300102337523910  0.6895317999123023  0.9959999217510926
  0.7311332800428971  0.2884144148168275  0.9701773183850619
  0.7229137271542498  0.1592900295104585  0.9134298216747609
  0.8244770191148305  0.2658315037496308  0.0406647024931956
  0.5018553903021754  0.0435119185118040  0.1659897980538005
  0.6388002641397748  0.1007714097741612  0.2409401649245382
  0.5668586007582306  0.9743007711159706  0.1208717604367422
  0.1836261843213620  0.2123176060594076  0.4425574277311100
  0.2568013713771009  0.3408402330657054  0.5634268368821509
  0.2758177349079602  0.2323306007899575  0.5568847762910138
  0.6236145003896780  0.4535073843219877  0.4555490650090235
  0.6425586317499636  0.3987689202389220  0.5375697479924568
  0.6476115060827894  0.5251869923503989  0.5888951798687430
  0.9448889502237421  0.2623909570328919  0.2336770433840911
  0.0652018910149863  0.3093023914605268  0.2241253370915075
  0.0606406206172565  0.2852716311319696  0.3269901678431637
  0.9581465134374412  0.8352367933815259  0.0058797817844436
  0.0392671773983650  0.8972662810094505  0.1422300560122949
  0.0919608880854739  0.9440816449362472  0.0683667668988264
  0.4711792404199997  0.2377232883738216  0.6811933326654795
  0.4139017112057957  0.1917547100989552  0.7545017183527492
  0.5405795270385028  0.2140942446764242  0.7740056332695460
  0.6679514648337559  0.6641522214314293  0.1199610291072943
  0.7428986529178303  0.6020180026421471  0.1387556395033087
  0.6214459945954687  0.5538097403380178  0.1432332712461104
  0.2642510878527204  0.7083963758594436  0.0252645648922254
  0.2761507294128691  0.8391844923754874  0.0850875433036862
  0.1733029110357904  0.7352292544140511  0.9575752107721556
  0.4982644615262686  0.9555665905875728  0.8336742105864303
  0.3615479211403922  0.8979141874946492  0.7573365851501777
  0.4323664184521050  0.0243070188326797  0.8773681528286019
  0.8113823151316240  0.7832678141005189  0.5383668338461973
  0.7389994451488349  0.6447356185911346  0.4279622136028962
  0.7123324450091104  0.7443319609760977  0.4184575330243945
  0.3811781812710251  0.5487558430803006  0.5467554374770813
  0.3593788595112954  0.6021307909178120  0.4641053936868076
  0.3541852554212923  0.4757113267726609  0.4125260229544594
  0.0566965460436677  0.7447759619171279  0.7654061976871773
  0.9357514081047924  0.6955798391551227  0.7734601349861521
  0.9424496526460189  0.7267015741689491  0.6749114810256103
  0.0483125277769858  0.1727475901895374  0.0047746775034412
  0.9597376083945974  0.1057089186652149  0.8682404617246817
  0.9153603915445814  0.0644243628269194  0.9483033074783762
  0.5280743194426378  0.7571794849344613  0.3165825935542301
  0.5851661080567325  0.8058302060180296  0.2447100596703606
  0.4578475365495080  0.7813435797727593  0.2248330740884867
  0.3330364334931701  0.3345057319336959  0.8757677110259081
  0.2589175188456778  0.3975238323513892  0.8572670113429268
  0.3804318508617399  0.4449981432702472  0.8527697855525815
  0.9248050204334746  0.9771596201682158  0.6845376446988283
  0.9839302802416086  0.0060408276938588  0.5989853305876025
  0.0480457090266384  0.9756000440269261  0.6915593675736389
  0.0548116448132063  0.1062794616347134  0.7395969182734703
  0.5976395240132035  0.1132967899632291  0.1052263053606310
  0.6724017758928227  0.1910365717508142  0.0323466374334416
  0.7415615788988177  0.2284092842186922  0.9866386696005520
  0.5743998841693738  0.0541518733958810  0.1608796704565520
  0.4936995074362827  0.3853677667083701  0.4829188143684533
  0.3432692813647691  0.3079235265968521  0.4805306918548311
  0.2601217374826916  0.2711259406082789  0.5124666380519258
  0.6083386215132194  0.4445431584138575  0.5181340203610816
  0.9853257593655300  0.9923704473477670  0.1015825962809345
  0.9831519435418841  0.1407431846048652  0.1761606762485002
  0.0151032038272305  0.2558505082345306  0.2440579697683773
  0.0205711837745355  0.9126777341111492  0.0775971308118315
  0.6083956043934222  0.5079069431767422  0.9899328208722125
  0.5350050502788122  0.3597847251796722  0.8401880557491168
  0.4875462953396692  0.2444353817315630  0.7576931968153247
  0.6627213748439829  0.5864967379190844  0.1043578971738626
  0.4010645315013264  0.8852877927751877  0.8930716062854174
  0.3253305601746135  0.8073385125880677  0.9652451047394379
  0.2558801766153707  0.7702361825315904  0.0107978877158388
  0.4252603716539340  0.9446426013798543  0.8377999332354946
  0.5084278509857967  0.6154287089205610  0.5151792379927329
  0.6559026075267056  0.6877536265692896  0.5104923418222569
  0.7348547526533480  0.7166260002260927  0.4720496043195865
  0.3944135617625335  0.5567076635271135  0.4830058119395133
  0.0187883529862276  0.0146616707726039  0.9089333796463279
  0.0197794630928669  0.8661475498622835  0.8294661929377085
  0.9869750913143847  0.7519412496366158  0.7567236833432673
  0.9841827525351690  0.0946541661275973  0.9349793551542618
  0.3932250074728714  0.4905169691191702  0.0060859111645115
  0.4653785435251407  0.6370751981184029  0.1569373480924128
  0.5116008371408967  0.7516438213309371  0.2405631754499566
  0.3388649985672529  0.4124461262607682  0.8915354329586407
  0.0093749637195089  0.0198800406983324  0.6783616009156503
  0.5891088849921999  0.4169224855331990  0.2426910890123040
  0.3275324877045236  0.0787987569907642  0.1693011920872891
  0.6671269468346566  0.8389689249398415  0.0873306698655441
  0.7517167899160171  0.6691883890429509  0.8202585581198463
  0.4154511415170816  0.5806643835961367  0.7513572656042555
  0.6762075183464020  0.9235617699005374  0.8344289732974914
  0.3293989584823507  0.1557849917269891  0.9099060281659845
  0.2558617201979487  0.3460899427552420  0.1770557323399231
  0.5509841915974576  0.1661936487284734  0.0847082025433963
  0.6733826534327392  0.1257917554873984  0.0723318183581014
  0.5994549763952364  0.2166269523169007  0.0393056593561312
  0.4204082165279956  0.3317613742832037  0.3838042843150831
  0.4483492004526966  0.3735403220148967  0.5462467760030592
  0.3247472935689615  0.2815224697026721  0.3822634084168968
  0.8858209065325227  0.9667748959895306  0.0573666686124170
  0.0490561360537782  0.1011764543876481  0.1755877462985680
  0.8844051054900675  0.0610668843489108  0.1057255616918340
  0.5915974488741824  0.5345268719690139  0.9165570316614193
  0.5727723294128495  0.3987541971184001  0.9449825083020684
  0.5457414867963948  0.4401478117254243  0.8212876374964111
  0.4463446141025216  0.8308378047825329  0.9123623379650283
  0.3257213946841162  0.8738071921448949  0.9264943488095057
  0.3972073044600819  0.7802434194066095  0.9573040291542654
  0.5840659054965940  0.6745579558328387  0.6139614529999022
  0.5504117278631355  0.6206109574430698  0.4480798140885014
  0.6776128679712272  0.7210463089576749  0.6107339214898673
  0.1175491084028550  0.0383985648508229  0.9535537284559794
  0.9551778180955210  0.9069230649369544  0.8323261401159883
  0.1183355315227743  0.9440836221401057  0.9021554067228621
  0.4117635248190012  0.4631777588057133  0.0785831032838118
  0.4268814174537070  0.5992737583942400  0.0522048127296770
  0.4566611445549782  0.5563173030134436  0.1744638317319342
  0.8365734056494460  0.9304134926666450  0.6807904790481487
 
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