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    48    32     8    24     1
Direct
  0.4327755190052542  0.1840571005762186  0.0990510453393583
  0.7590819426304094  0.0646660165379700  0.0685125466124887
  0.4163472546721181  0.3178472849465379  0.2496062202685181
  0.5034844650206338  0.4334463057353020  0.6918775749056110
  0.7485082569220864  0.8349797632708231  0.9393362875642453
  0.1945005362030088  0.1897740625444087  0.2580990642322902
  0.5992609996663276  0.6650094281945869  0.9128302438201814
  0.5665243745869759  0.3084821070826962  0.0015189305649486
  0.5669468647602258  0.8164972549238385  0.9023693737219460
  0.2425367103139706  0.9376627906062396  0.9335560435412873
  0.5872776197394458  0.6915629274792110  0.7514395606039059
  0.4922194094384480  0.5582394335692697  0.3026394693279997
  0.2519403023462488  0.1674567551561168  0.0720794470258426
  0.8091965923811557  0.8325137021704236  0.7338143229648040
  0.3992485310953526  0.3326371313849137  0.0840043843559286
  0.4311975273438051  0.6902816683779918  0.9967836836525095
  0.7307283745778079  0.2881121136989719  0.9691991835320906
  0.7219596226134257  0.1586551725774470  0.9122816104891882
  0.8241299654370664  0.2652708460180975  0.0393354423083849
  0.5021070482018217  0.0436578914117547  0.1658071815307665
  0.6391871827733695  0.1017255495082878  0.2411415917332036
  0.5678314321309301  0.9751156468658309  0.1211296181023087
  0.1814586620734033  0.2118393298622507  0.4414484046406031
  0.2542835623658988  0.3406183741890558  0.5621626289351624
  0.2735016800881738  0.2323149138503879  0.5562687394364971
  0.6225241671696935  0.4530125693570142  0.4561792095777619
  0.6397615729292738  0.3952714059362208  0.5356354236197589
  0.6465460809864609  0.5225253494462407  0.5898748822455175
  0.9426307416534954  0.2607236651334404  0.2316055606786449
  0.0632812058112648  0.3083800068879086  0.2225977851456449
  0.0584257004546487  0.2838232329841617  0.3251875154698993
  0.9583018330567157  0.8346812022517724  0.0051649909303464
  0.0385819990547986  0.8971216196840217  0.1418514990139101
  0.0920772638974725  0.9441434862872882  0.0684568995174857
  0.4695764390603543  0.2381271172789354  0.6804189759068748
  0.4123896635130109  0.1918385495329957  0.7536842546895670
  0.5389939881554966  0.2139594856357903  0.7727955048937503
  0.6673960261401959  0.6637785568892625  0.1201616721540617
  0.7429964416850652  0.6019911721846825  0.1379867690780188
  0.6218845605574259  0.5530831160528109  0.1432285686747079
  0.2643005793902162  0.7081532104412105  0.0252888615111644
  0.2775913397748866  0.8395301804738438  0.0865335840118036
  0.1742232520784484  0.7366623353751507  0.9588143383382999
  0.4989670334140683  0.9565432236134157  0.8347064250105944
  0.3621250473752582  0.8980807226140968  0.7579902425759570
  0.4323702428017739  0.0246375842282731  0.8779763520641026
  0.8137742896259894  0.7841529301504480  0.5454120695780489
  0.7423679678514858  0.6489768245747740  0.4304498738779969
  0.7165631587687713  0.7512056613591298  0.4274637410335913
  0.3792340159204599  0.5469744348188499  0.5451252127221338
  0.3604352416365799  0.6030583958603799  0.4643703052094850
  0.3527103792447051  0.4754069958328060  0.4107978279618365
  0.0580505331820760  0.7433597244366297  0.7686164864353913
  0.9374387284799184  0.6940469739506625  0.7772715691127559
  0.9427231132601293  0.7227335123349476  0.6769782611596469
  0.0472786621566925  0.1707691994761404  0.0024900115608091
  0.9612529178917484  0.1041574806404242  0.8654549719270435
  0.9136808036367938  0.0623159448008010  0.9438805390686724
  0.5297188862451918  0.7587259338009886  0.3177833167871995
  0.5872978754630367  0.8070299760758459  0.2458958914272031
  0.4600835971390325  0.7832728552306136  0.2259162330362443
  0.3334084394903201  0.3355302251667567  0.8768226545452151
  0.2586043023183464  0.3981143390295117  0.8592891170485828
  0.3795148580446650  0.4460688722982908  0.8535723577396368
  0.5979094958042452  0.1138480928159282  0.1051855497417549
  0.6723189554851601  0.1911620765111550  0.0318591375307591
  0.7411138340615011  0.2280414856668074  0.9856284005096256
  0.5748757931060879  0.0547662241001845  0.1609494252657768
  0.4919580698826564  0.3843613974954181  0.4826217686078138
  0.3412547609380638  0.3075862980121684  0.4798997635241875
  0.2578323772415629  0.2708809124160112  0.5115559067224780
  0.6066845949126574  0.4426199432837592  0.5180195911234762
  0.9845081408700480  0.9916247189372100  0.1001820137631029
  0.9816444454455180  0.1396565188924157  0.1742388920662279
  0.0130965456372181  0.2545822860763280  0.2422294532523708
  0.0202861659531024  0.9123292121323843  0.0770022555286545
  0.6077314409774033  0.5077266858036182  0.9896851521113632
  0.5337683265088558  0.3597936912370798  0.8396527463704473
  0.4860514925221793  0.2444991709376581  0.7568255723904542
  0.6626035884510770  0.5861785867536824  0.1041925234126637
  0.4018322272043093  0.8858201057698309  0.8939556897102179
  0.3261559024695728  0.8078778756964553  0.9662083481162753
  0.2566801768762730  0.7707467454857735  0.0117219429976103
  0.4257589599696558  0.9451680714410671  0.8385883977083211
  0.5079513768467407  0.6130741167638476  0.5151933457069617
  0.6565849138565625  0.6856817196560243  0.5127127392889719
  0.7374581181067015  0.7192650405796712  0.4774168058204964
  0.3936611113571047  0.5558891600546048  0.4821750243240075
  0.0185294983121054  0.0127501607705369  0.9079207592696932
  0.0199012736916515  0.8640427202524066  0.8302922779818047
  0.9877702685243506  0.7496024665187591  0.7592301539040065
  0.9836777559677898  0.0926391203099399  0.9322651876896515
  0.3938643570802682  0.4915782066719956  0.0073994961112902
  0.4668170524939583  0.6384959520215929  0.1581678542776430
  0.5135206719499124  0.7532259933552865  0.2417576285877132
  0.3387920787080319  0.4133673340064945  0.8928262888102765
  0.5890316900266868  0.4179614603241149  0.2442782068626812
  0.3280011154282150  0.0791517923285738  0.1696193994192683
  0.6682635031111985  0.8397586364790968  0.0886340659076055
  0.7513739779203163  0.6669570908149112  0.8214796591622573
  0.4134354130971971  0.5799808704239666  0.7518212526498971
  0.6727218811559297  0.9208926285193755  0.8333787323495940
  0.3301718168327028  0.1569422552353856  0.9110479692563516
  0.2547588128342255  0.3450540129650435  0.1758448202022294
  0.5516371812473793  0.1672531414720737  0.0852411606363646
  0.6731415600815964  0.1257277870723783  0.0716287839325318
  0.5998984493836730  0.2174033038643017  0.0395360853551523
  0.4188929985638765  0.3311082794997589  0.3834656991736693
  0.4462991675532848  0.3728311275817120  0.5457898428145356
  0.3230467990300383  0.2812357123613296  0.3817092887525888
  0.8849697436578978  0.9657155159573989  0.0553296714306342
  0.0478370516255566  0.1004328024500865  0.1742467296852368
  0.8831313525477640  0.0598044735035330  0.1033429255115195
  0.5902719090481128  0.5344765209281874  0.9165076546616362
  0.5721726923742594  0.3985838411056974  0.9444448476376905
  0.5440742352904877  0.4402436751084338  0.8210470225926727
  0.4470834425050825  0.8313659191045986  0.9132762043420826
  0.3265427732285531  0.8742924370722776  0.9274089989484651
  0.3980194071723204  0.7808376172411968  0.9582562998644875
  0.5829232992322986  0.6689118524137641  0.6139575341903978
  0.5511473257750126  0.6204460096191511  0.4493181578927476
  0.6770795927810696  0.7149541370006816  0.6119675627226968
  0.1172964616601533  0.0369483426015194  0.9530239054106175
  0.9550606198129117  0.9046010445500414  0.8321247133073228
  0.1183305917598361  0.9425489607575201  0.9027204990537854
  0.4124053380164128  0.4643679216612213  0.0799985772777774
  0.4280387431404833  0.6004421928564909  0.0534102385340560
  0.4577964784649637  0.5577624157555050  0.1758354150594172
  0.8251066549262447  0.9347815943710458  0.6972902345968066
 
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