C18 H12 Cu3 O15 3(H2 O), 3(H2 O)        
   1.00000000000000     
    26.1906004489232771    0.0330185608843312   -0.0045879740663083
     0.0268986982360784   26.1584015327297692   -0.0130604102786314
    -0.0054363130597977   -0.0124206606656817   26.1977641686064899
   Cu   O    H    C 
    48   241   194   288
Direct
  0.2171515342442906  0.5021955852621182  0.2825053372904309
  0.7856906283924846  0.4985855172254853  0.7159012338487343
  0.7854158175022941  0.4975030914680319  0.2827556247890219
  0.2182089965293859  0.4984218230830910  0.7159935146554822
  0.2845938226130304  0.2160101104843689  0.4993409368656296
  0.7177962578860532  0.7829175976045042  0.5003744788009838
  0.2853115704888351  0.7833013873000529  0.4985645016418908
  0.7165075816254229  0.2160793300715031  0.4999951387064696
  0.5012808279437938  0.2840745864518128  0.2149527677877728
  0.5030925680590442  0.7168298487790178  0.7832653008205296
  0.5028692380637551  0.2837533104211287  0.7838056850972857
  0.5032969290539808  0.7156667453637229  0.2159974689693784
  0.5038104540809614  0.2158336413909279  0.7169082397470768
  0.5032311301454138  0.7830273024728417  0.2835501552428307
  0.5028125324777468  0.7837813010814081  0.7161990823066208
  0.5012599303164101  0.2167169197955193  0.2832357951609799
  0.2175895387099794  0.2835417341990863  0.5012852465102690
  0.7855782053075847  0.7159065022413093  0.5014276097766621
  0.7838862884443267  0.2837193590630873  0.5001117097050428
  0.2184216490023988  0.7157361713940458  0.4990933501140529
  0.2855615260259352  0.4976066122281252  0.7828103005270872
  0.7176939182660219  0.4986502927963605  0.2159946558092247
  0.2846856124493479  0.5005171911485976  0.2149215552049954
  0.7184498640742475  0.4986687596760500  0.7831330230880386
  0.2176190034358415  0.0012774471942950  0.7840019259836203
  0.7842689681288778  0.9981339827645691  0.2179409751177691
  0.7857528426376970  0.0014572788916767  0.7841991696808989
  0.2173298072015437  0.9998102735836085  0.2171480940174437
  0.2854886294449042  0.7172197112310582  0.0002718455543730
  0.7171851493208778  0.2839474101625565  0.0012514209216719
  0.2845946740471122  0.2841289673186215  0.0008285135910029
  0.7177628587373370  0.7167235458668112  0.0007479421487719
  0.2185580031010355  0.7846758856277327  0.9990758118675378
  0.7841878371981934  0.2161396967789355  0.9997019327958451
  0.7846422722534637  0.7838945476483514  0.9993653158363502
  0.2173069355112799  0.2170298612337440  0.9996905415754396
  0.2846748214889623  0.0007169197543414  0.2841199352405603
  0.7184719507660946  0.0014423502607213  0.7169515585489026
  0.2847863001981707  0.0016308110597812  0.7168512184080440
  0.7172874999734714  0.0000323230999453  0.2853535382114377
  0.0024783699044116  0.2838880387803877  0.7162732665590605
  0.0030270806593886  0.7163009404788675  0.2835566654020282
  0.0026061015252304  0.2837901465627830  0.2837998195028478
  0.0028651506734427  0.7163049637454376  0.7163409586233060
  0.0030392281551950  0.2165456434972511  0.2164365437230111
  0.0028270236904992  0.7836635844147377  0.7837602034387643
  0.0026111468926131  0.7838737186984439  0.2163086739836560
  0.0025610508820843  0.2161462159082655  0.7837844430250113
  0.2569986459491243  0.5552963030538171  0.3145330537791117
  0.7456661176323296  0.4470008304294488  0.6822237622716965
  0.7456916122823755  0.4449894525767153  0.3155466674749371
  0.2586479461255806  0.5521474417436032  0.6829444413890295
  0.7458638208232666  0.5520430790513587  0.6824544158846813
  0.2575818808655969  0.4505590316064880  0.3183456846467914
  0.2589224359189626  0.4469293039962391  0.6820525263865078
  0.7458428716581054  0.5503243558723271  0.3178758791532822
  0.3211590767441257  0.2557005310917662  0.5509896154402687
  0.6856207107300997  0.7424177629129519  0.4479258720647420
  0.3196413309370438  0.7439767585267298  0.4466760638922307
  0.6833124281886001  0.2565495493991463  0.5519139260963304
  0.6835179821884213  0.7430807293221603  0.5525461487301441
  0.3159017098037010  0.2566097224910318  0.4462590235908350
  0.6825075740259167  0.2562361454210711  0.4472116331393420
  0.3196238403993730  0.7431711906389409  0.5518810348929036
  0.5569387916410242  0.3141553073863804  0.2523430835392168
  0.4498006556021333  0.6828942085176591  0.7435192507739122
  0.4498225396889266  0.3171458675188925  0.7437956030809281
  0.5557921759652672  0.6825163674385971  0.2563575028091474
  0.5545960439274090  0.6821114329518904  0.7438523146645195
  0.4528716375365207  0.3209617264376167  0.2617754635148057
  0.4506700695978525  0.6818914270324868  0.2564291513664128
  0.5544440308111647  0.3176147278913266  0.7435636615147762
  0.5559193743587426  0.2554759993754283  0.6836976311186481
  0.4513462765481229  0.7422984677126213  0.3177864030545904
  0.4491939123270188  0.7439636408154120  0.6829356237287043
  0.5480080529652995  0.2608301560904926  0.3194700931542156
  0.5562626655706165  0.7439827851108179  0.3169249679034219
  0.4514064019874345  0.2565432289740452  0.6825640001801363
  0.4428963912207085  0.2532689409862022  0.3133349007046563
  0.5541100640569837  0.7428515371528590  0.6826861594426488
  0.2571507191204029  0.3197098824715424  0.4494132786751870
  0.7449297737857153  0.6823967925690834  0.5527186662686316
  0.7435200593835075  0.3181901303774290  0.5508360893332023
  0.2591476296353425  0.6826446197329394  0.4470995808863801
  0.7469060337120371  0.6816715957662637  0.4477655454718689
  0.2584841376121620  0.3148467891173569  0.5539375571883183
  0.2589404520419571  0.6821963968030081  0.5520589669902634
  0.7442627245821055  0.3161319440900207  0.4460330585824301
  0.3196422042316432  0.5518129414245484  0.7436417654062459
  0.6837319725368317  0.4468098779468972  0.2556293450676594
  0.3158015340473522  0.4463393552520202  0.2550126835392759
  0.6849203634348184  0.5519061687423537  0.7432565118826194
  0.6848732399948866  0.5513116672572076  0.2571005001767579
  0.3200080535450318  0.4465600214257621  0.7428565806928745
  0.6847366738944693  0.4471413228277762  0.7431901102062795
  0.3204314718773678  0.5514372601892625  0.2563299502949247
  0.2583008631721723  0.0530379272970205  0.8175738858941881
  0.7435751572374872  0.9481329271119471  0.1829869453872210
  0.7461776891143457  0.9476238531259256  0.8175270888607509
  0.2574232423828255  0.0522111166737188  0.1826073170455901
  0.7464401253476257  0.0529942042243751  0.1847057196372986
  0.2584038042864542  0.9478596285486509  0.8169269977140451
  0.2582106699683635  0.9471180523186606  0.1847339068967717
  0.7459966770846943  0.0527044932872951  0.8186662646771751
  0.3185503101924239  0.7570052490141406  0.0528187823771911
  0.6837556193838742  0.2438257292378411  0.9485420029075410
  0.3203786338103416  0.2440364241871716  0.9488102898603539
  0.6837388663926574  0.7584115565625688  0.0511226288854646
  0.6842669988363490  0.2430523375963704  0.0533273988338532
  0.3208394026467979  0.7566096548788372  0.9476087443214735
  0.6848593299695271  0.7554736569366002  0.9463153288693607
  0.3168618251311749  0.2441754463368731  0.0537623294575019
  0.5552144383166980  0.8178171123548840  0.7551764215532900
  0.4531166522779405  0.1801499584974363  0.2394975969309283
  0.4491545133140582  0.8161439099422420  0.2439908448502985
  0.5545486348322421  0.1818787168113457  0.7574665637152284
  0.5580084844038447  0.1859580210509243  0.2477774010767775
  0.4504074139437859  0.8182014758626645  0.7563979119393831
  0.4497468119608322  0.1829805929324746  0.7567706158458256
  0.5539289685894403  0.8171056596001741  0.2427928937088730
  0.5546433037323052  0.7557501155207770  0.1820494705583807
  0.4500624024956818  0.2435634713055477  0.8179376419508738
  0.4436893453163602  0.2474836432782083  0.1866478725956761
  0.5550351343137939  0.7570239087915221  0.8162761279172784
  0.5549468816093989  0.2439772830295443  0.8174345442640449
  0.4497229689720520  0.7558430367528871  0.1825364025716458
  0.4503100087578491  0.7570651375058669  0.8169484105375289
  0.5487809190041334  0.2386186184080364  0.1802163204539832
  0.2592625397518081  0.8170288062606486  0.9468313991146174
  0.7460235146050290  0.1828162853008301  0.0544214360975739
  0.7458978649923897  0.8178780242024402  0.0530666511797316
  0.2579175386176883  0.1848912102373322  0.9468165267850103
  0.7435593788104818  0.1816013483582092  0.9497303290837641
  0.2584737529572479  0.8188662547062779  0.0520337782804555
  0.2576344902538613  0.1817064484901212  0.0517442853965935
  0.7441598506672801  0.8178421741390179  0.9481602071854407
  0.3172096942830186  0.0536827977131496  0.2445663966671708
  0.6850765054206429  0.9481800724079565  0.7568791108271534
  0.3199818185083517  0.9489259725519423  0.7568715986867339
  0.6841533008425663  0.0515024375083759  0.2440604629357547
  0.6853486706706746  0.0530769508517573  0.7573872876254731
  0.3205522927165183  0.9486118953180264  0.2441065092158265
  0.6842930466568767  0.9464083452361057  0.2454206816323620
  0.3184122582317471  0.0541157178936934  0.7559015403693933
  0.7588642811646882  0.5519979814461351  0.8167793903773729
  0.2418998422270433  0.4505947050105808  0.1815668677540713
  0.2462028938595894  0.4459400116960922  0.8165038488716764
  0.7582449327958499  0.5519517666399198  0.1829497713431238
  0.2477311966786398  0.5556561728081666  0.1821757279089717
  0.7582464501359523  0.4470073366018062  0.8170692554028083
  0.7582898615901471  0.4466221594574202  0.1826822865143185
  0.2458111224574249  0.5510435069448539  0.8171896507418174
  0.8203785427649409  0.2556186176333720  0.0516074900072521
  0.1856665890260713  0.7432502476981292  0.9471966528643333
  0.8178146207652018  0.7437624782515792  0.9468684949439492
  0.1846252667229165  0.2562503653049720  0.0538979843791566
  0.1842649964788424  0.7456282808933569  0.0517628581142805
  0.8171076573444794  0.2554605363772192  0.9467654047897224
  0.1832953833830017  0.2583011101594489  0.9491457003348241
  0.8195382223900233  0.7435639651574765  0.0520654962289947
  0.0536548878908694  0.3176853046521735  0.7571831732447686
  0.9494515464984941  0.6824058534085733  0.2439689277935071
  0.9497271887807559  0.3169934697718075  0.2432332725202543
  0.0547970824445293  0.6822046953387007  0.7562925963080946
  0.0544872952482032  0.6830608689337195  0.2426432318069170
  0.9487064546610300  0.3160744551916549  0.7568698852477020
  0.9496239602947111  0.6829042528409838  0.7566466117039173
  0.0543343753737625  0.3173381086826957  0.2438829506286029
  0.0554996703062461  0.2557075376298490  0.1834487614986055
  0.9493948716732806  0.7439117954049727  0.8173931454996264
  0.9493872540100727  0.7432006574667260  0.1830831688203225
  0.0552331487595757  0.2555866915321579  0.8170065173128123
  0.0544774464269765  0.7430461111737778  0.8174315209926832
  0.9509666042399769  0.2567655243340259  0.1816815053269571
  0.9504543258509657  0.2564776897309497  0.8188968385153246
  0.0543346333032289  0.7444422449123588  0.1820800691290368
  0.7575238804872941  0.3177691092438706  0.9481493897422987
  0.2444085154336613  0.6837727063071356  0.0509295331899415
  0.2438385899257269  0.3187326104708377  0.0517041871282536
  0.7586049194638328  0.6813677566067700  0.9486790039264900
  0.2473268870467047  0.6829487614741019  0.9462107077005848
  0.7588212779240076  0.3160661913056610  0.0528444487624073
  0.7573284443014928  0.6841812737705418  0.0539197804011586
  0.2460018651934049  0.3172538571631548  0.9467776376413914
  0.8190783367621626  0.5518862467577930  0.2438015449504843
  0.1849859219630709  0.4465636810074544  0.7558379993935428
  0.8192472879621258  0.4466770624200875  0.7561967761025126
  0.1838280798195475  0.5521058618616311  0.2399085949379674
  0.1847079214589996  0.5513536365836756  0.7566040023678470
  0.8201944940467474  0.4468558785585079  0.2426939769323607
  0.1837843014502792  0.4474121091532706  0.2450115661052898
  0.8198379658773299  0.5518934104311072  0.7560983517685735
  0.7585018258425505  0.0524967333523641  0.3171790195306749
  0.2465954794191411  0.9470020667649558  0.6829949339982987
  0.2461757828766504  0.9464307736103316  0.3169533723182496
  0.7580291257208589  0.0531294239012236  0.6827669558513191
  0.2443539880829058  0.0520554570576851  0.6824632043795096
  0.7576546652018753  0.9472706921177398  0.3199501479813832
  0.7590505932888362  0.9484050525683042  0.6834746265795618
  0.2435527847591257  0.0512520586005675  0.3184606507818856
  0.8182004651078890  0.7565802317986822  0.5536598936895520
  0.1848603343308648  0.2446965397502782  0.4468281501861422
  0.8193652046808578  0.2433700830540155  0.4477337488013453
  0.1852045466848869  0.7562374392519609  0.5522507014890450
  0.1837629533308649  0.2420504460938052  0.5514177942563093
  0.8209674050493611  0.7547962950840665  0.4489581036998819
  0.1848803983061830  0.7561287043898989  0.4473433173169098
  0.8177767021509337  0.2447796877046737  0.5527855032652181
  0.0544113525472907  0.8176630718502556  0.2562891907370808
  0.9485496315210179  0.1836950123608173  0.7436438139718573
  0.9501694244061158  0.8175939857150585  0.7432642338086115
  0.0536134484952625  0.1824549359662720  0.2575135369212801
  0.0534783701961416  0.1826675239498828  0.7423786731555301
  0.9493971792061746  0.8170125311066547  0.2571051927304404
  0.9488568782938743  0.1830155329303146  0.2554221759761904
  0.0552239207616511  0.8169885547630592  0.7438573716572275
  0.0551953140113927  0.7560597061499894  0.6828078562087001
  0.9496920951210078  0.2430526784501427  0.3171308192977781
  0.9502976713006848  0.2432259863634331  0.6816059133999369
  0.0546639379995195  0.7564082283952949  0.3169653044306159
  0.0542563696566038  0.2441194572556677  0.3179261483509598
  0.9500573806181802  0.7565996813083985  0.6824847733387268
  0.9498933228993680  0.7560670893096988  0.3178618766742073
  0.0550947101757377  0.2448589700204140  0.6826306340036998
  0.7598243443671975  0.8156707379401646  0.4493573186892356
  0.2466237028559359  0.1830190205742655  0.5538859185165218
  0.2459424535338223  0.8171232058140210  0.5521999545510525
  0.7578254686511825  0.1833227737190113  0.4466236548054717
  0.2435391667704269  0.1814470851637580  0.4492034337052172
  0.7567909696898327  0.8171880518308692  0.5541611524006954
  0.7578084377605349  0.1829801292745523  0.5517541075722951
  0.2454934657508291  0.8173414341354563  0.4471460311336725
  0.8186824165562210  0.0537805934239266  0.7439648960946165
  0.1836323605077855  0.9484258603017032  0.2577437743072301
  0.8166872564333636  0.9449085933817953  0.2573292900476675
  0.1841613548872208  0.0531808087671195  0.7441269788319915
  0.1837750530255262  0.0531061415138054  0.2564386302070888
  0.8202344111480797  0.9485727278160723  0.7440601401580665
  0.1847698164266126  0.9483178122675479  0.7428007806595576
  0.8205782507145445  0.0499077113021346  0.2576072883209182
  0.1565779690961515  0.4947258179293325  0.3420296286708721
  0.8469437253953672  0.5119200687348385  0.6573724244859699
  0.8459642496172305  0.5082924330400533  0.3435005905274443
  0.1582894730019874  0.5075770064197195  0.6569807173199366
  0.3465861508179414  0.1574794718894710  0.5132606628536105
  0.6596097626194259  0.8446963894916324  0.5093476649117398
  0.3457021036041319  0.8435124054406645  0.5157850927890456
  0.6582078613646488  0.1556721592701558  0.4905136567529337
  0.4954826701770148  0.3450164247080547  0.1587133443627908
  0.4894327316851375  0.6572900558799493  0.8437359954082665
  0.4876777270523023  0.3431204553198203  0.8443788771542213
  0.4883497664303121  0.6541952283403574  0.1580010160172710
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