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    49    32     8    24     1
Direct
  0.4324463202642264  0.1837249992540038  0.0990165598156949
  0.7606230835498877  0.0665566963330804  0.0711773370773088
  0.4170861560478016  0.3190520820092217  0.2497402435536600
  0.5059806796630753  0.4329574749198954  0.6919293031911096
  0.7478120156563435  0.8370249312758702  0.9419132966961072
  0.1958952375433398  0.1898389649491037  0.2586328060871566
  0.5998521077495411  0.6644967602125860  0.9119994562046756
  0.5665944125537266  0.3086314697324610  0.0022055059905881
  0.5648996518436959  0.8160728417630594  0.9016012870585541
  0.2394256373118679  0.9365262111741330  0.9317165543586583
  0.5857218440180532  0.6928194982144404  0.7511190019862255
  0.4893513360781512  0.5562667677743462  0.3012788586671320
  0.2517129543105270  0.1679609065148000  0.0724007894054282
  0.8074639167499029  0.8306692311232879  0.7319426995442200
  0.3999149081197046  0.3319060709896959  0.0828279577418982
  0.4284785852333926  0.6890478419446282  0.9959207617990486
  0.7310108253469778  0.2882666435490506  0.9701726158136523
  0.7227073613968713  0.1590536028760710  0.9135897091026521
  0.8243340670002013  0.2657395814623911  0.0408167523020708
  0.5017346815231036  0.0435032430614584  0.1661771171482371
  0.6387212778716460  0.1006689804440342  0.2410208924003854
  0.5666433849288595  0.9742578330341374  0.1208568689606153
  0.1836772316656976  0.2122512970759303  0.4425950483023797
  0.2570632990810324  0.3408999120848151  0.5634378095487733
  0.2759739803073842  0.2323313242427574  0.5569223968622836
  0.6237121438141742  0.4528382629087346  0.4552818022006377
  0.6424463224186354  0.3981135556173996  0.5373824288980202
  0.6476110460962659  0.5246347827495157  0.5885377844416979
  0.9451824129494000  0.2626916462403983  0.2341598407153640
  0.0654853564833289  0.3095892117002634  0.2245344608040440
  0.0609397845327280  0.2853035391852856  0.3272605656991558
  0.9579350095909120  0.8352035472420880  0.0057183268327492
  0.0391153053831559  0.8973874521550869  0.1420921139176485
  0.0917248658012753  0.9441511807080190  0.0681731777091770
  0.4711463368399009  0.2374309886794990  0.6810953624277971
  0.4143483925660547  0.1920749069448178  0.7550064610172598
  0.5407542329404080  0.2138907011417359  0.7738935553176418
  0.6682399258599503  0.6641352561420533  0.1199774881072244
  0.7431430516010096  0.6020010065602364  0.1390519015020502
  0.6213267783222634  0.5535121875844453  0.1428288501049835
  0.2625482174129985  0.7078966111386436  0.0254981259388458
  0.2743617059152257  0.8386455223694611  0.0852975914932657
  0.1713784416500985  0.7345568136404310  0.9578252308187061
  0.4967492037412029  0.9548869406787048  0.8340637402514304
  0.3601163166410188  0.8974394065102160  0.7574713921972176
  0.4309061220840391  0.0237602375599764  0.8776440370179017
  0.8098615004151526  0.7820880848324094  0.5421688628299819
  0.7385307162525976  0.6452889481037545  0.4293400670255920
  0.7122675293203500  0.7462885945949580  0.4231389428615699
  0.3769418235937110  0.5468750514138208  0.5450405664367750
  0.3568286669970249  0.6006487632569559  0.4623724961227680
  0.3502344634251529  0.4734997410775534  0.4109475264850033
  0.0545301949411581  0.7457654387607775  0.7620712907966478
  0.9338958389186871  0.6963054709796666  0.7705931339507686
  0.9399569323271493  0.7280626131536181  0.6722984188462817
  0.0481247948222219  0.1725063096295045  0.0093722248171630
  0.9640588798058900  0.1147093147666212  0.8746861196019466
  0.9135565539582302  0.0647601907680269  0.9472123109116026
  0.5278093516639260  0.7570739100050758  0.3166147277921851
  0.5848185716609677  0.8057198737735192  0.2446763579085953
  0.4574867239571461  0.7812257636443931  0.2248761809930642
  0.3332700355139693  0.3344204202013259  0.8759942182154177
  0.2594428559705406  0.3976663574675143  0.8570624494866550
  0.3812445812333465  0.4450010669495938  0.8531820443127316
  0.8944473050749266  0.9847927228093667  0.7134263246232138
  0.5974975887833480  0.1133341477974597  0.1054018680265472
  0.6722676078435370  0.1910644562059858  0.0324955521947103
  0.7414195325421815  0.2283068457432407  0.9867491800286530
  0.5742603805073401  0.0541412508203791  0.1610050723607728
  0.4937318995071536  0.3849332244785160  0.4826437139410586
  0.3433016885750249  0.3076835707951204  0.4803951010458860
  0.2602272548303546  0.2710715202426996  0.5124446927186881
  0.6083488262448142  0.4439361301397042  0.5178550011241754
  0.9850673242804291  0.9923704678761212  0.1013960609484030
  0.9832173885803357  0.1409521069955986  0.1762892132003344
  0.0153407186133308  0.2560650819922117  0.2443926361002866
  0.0203267881898128  0.9127088315393976  0.0773957040031661
  0.6090682625031221  0.5080612665764122  0.9899030379199587
  0.5356623664250577  0.3598850334290589  0.8401331924160189
  0.4878489349978068  0.2444141662542307  0.7577276823389809
  0.6629945778398962  0.5864514898668460  0.1043257629359005
  0.3991914074892193  0.8845823221877680  0.8931139294280968
  0.3233483346974637  0.8067212968218627  0.9653501288342241
  0.2540013579854730  0.7696500677446778  0.0109891256197869
  0.4236832617874384  0.9440399093470759  0.8380005762822549
  0.5050463131770542  0.6122109970442011  0.5141877791874450
  0.6535446731507193  0.6847608495572999  0.5113395884376857
  0.7336812464821278  0.7161943792914087  0.4747676905937013
  0.3908463654274215  0.5545683597764963  0.4814461257556886
  0.0177603330259331  0.0157616411679982  0.9082185887922307
  0.0179301930712583  0.8670218987162670  0.8272340390424731
  0.9848493461145864  0.7529237956446622  0.7538786276411216
  0.9842699964467698  0.0966406462128475  0.9370704319072445
  0.3932718173632708  0.4904326680900866  0.0061925027831080
  0.4650929071673033  0.6370143973388096  0.1569890763779114
  0.5112803073872030  0.7515605562034082  0.2405874720688956
  0.3392681291658590  0.4124043924417933  0.8916678887199794
  0.5890785707590922  0.4169403620461907  0.2428188422022401
  0.3262127979824641  0.0780246119940884  0.1681083064733286
  0.6668200811973222  0.8388034559790469  0.0878126834349189
  0.7527749645424393  0.6721335979625920  0.8199332969307562
  0.4133839196191857  0.5791647827737378  0.7523385355048333
  0.6729357502841538  0.9217973103401178  0.8342126550126991
  0.3292097249409380  0.1558491098237198  0.9099420812134511
  0.2554533782509125  0.3459517889539541  0.1767281198651318
  0.5507275816912056  0.1661132372798022  0.0847144726386091
  0.6733253205993748  0.1259530901818096  0.0726272965949377
  0.5991956560110765  0.2165286106021682  0.0392993892609184
  0.4203574199364866  0.3313313489634382  0.3835401565543037
  0.4484059624410861  0.3732356711832594  0.5460390790991809
  0.3247146112688597  0.2812009222688090  0.3820878457509735
  0.8855826028726455  0.9669720635856223  0.0572984813269954
  0.0489567345023474  0.1011713010025588  0.1754952623942003
  0.8843950199220600  0.0613811573169372  0.1058345045961318
  0.5926636495358082  0.5347695806565937  0.9165241136615663
  0.5731963385978247  0.3988477986898076  0.9449268612070654
  0.5467914643061320  0.4403505218689716  0.8212413955442273
  0.4446534459519071  0.8303947326975774  0.9128177036297558
  0.3235777900194066  0.8728955348807972  0.9262357073820411
  0.3954810852105481  0.7799012405306769  0.9577742862951126
  0.5802001031406760  0.6692533408671366  0.6130428840514455
  0.5479960098017571  0.6188309177193361  0.4480367071839240
  0.6742969299197696  0.7156648761168540  0.6108648097274028
  0.1162510081140056  0.0386684055970008  0.9528287486971649
  0.9536860541220449  0.9084208750290372  0.8302350633630056
  0.1164431959099090  0.9442322913516819  0.9006121795389674
  0.4119128787920445  0.4632064525726278  0.0787892326638868
  0.4265893545530659  0.5991145643845428  0.0522385144914352
  0.4566062941685800  0.5563470578801528  0.1746252866836215
  0.8205906089894626  0.9294350575754748  0.6817372634250631
 
  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
  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
  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
