C18 H12 Cu3 O15 3(H2 O), 3(H2 O)        
   1.00000000000000     
    26.1895210069122442    0.0320686463495553   -0.0066778196190383
     0.0256392251587220   26.1595371033562785   -0.0154455469680986
    -0.0070369339773038   -0.0145228733321475   26.1988797236449606
   Cu   O    H    C 
    48   241   194   288
Direct
  0.2171618004072265  0.5021787500430156  0.2825138522172505
  0.7857695568441947  0.4986054177927143  0.7158540881265225
  0.7853954022633924  0.4975769054038652  0.2827131013501935
  0.2181799655829340  0.4984550147289359  0.7160229804742458
  0.2847753517164818  0.2158580784515387  0.4993175992852603
  0.7177469302932920  0.7829620807552687  0.5003777652412835
  0.2853352029793551  0.7832994311560874  0.4985116476570658
  0.7165201524082836  0.2160064665598473  0.5000276699573812
  0.5013011294595591  0.2841227511670557  0.2149590572516782
  0.5031470932045717  0.7168699020535393  0.7832547197096975
  0.5029388197720432  0.2837545084081715  0.7838813272435325
  0.5030487519715017  0.7158361921349459  0.2160828113255654
  0.5037242871674132  0.2159086275406224  0.7168749846520712
  0.5032029071040259  0.7830513655611796  0.2835326169211271
  0.5027865235653177  0.7837928383949324  0.7161614790698044
  0.5012943108739594  0.2167455382824489  0.2831660166410551
  0.2175466614213282  0.2835970226177516  0.5012846124379636
  0.7856703788801823  0.7158096887924649  0.5014061368401613
  0.7839060680597888  0.2837328794343200  0.5001335100411692
  0.2182652125335073  0.7159161261575904  0.4989309844140797
  0.2855060448377189  0.4976711168733614  0.7827775539863334
  0.7173940243649864  0.4985680883700284  0.2159342257789242
  0.2846433185104299  0.5004805808776216  0.2150087922454977
  0.7184975264349643  0.4986602163998732  0.7831331802367026
  0.2174321040711945  0.0013004011345391  0.7840261019902904
  0.7842727588527757  0.9981790921979776  0.2179575637331083
  0.7858442925694304  0.0014551476643410  0.7842743864559742
  0.2173593200122634  0.9998153570544889  0.2171369984893720
  0.2854894531170227  0.7171288892354265  0.0002474897156429
  0.7172884619118609  0.2838908405112753  0.0012215353553453
  0.2846292089094403  0.2840286935972716  0.0009505317750672
  0.7176869895933825  0.7167612229666196  0.0006911363130076
  0.2184471431340507  0.7846695779122934  0.9991022653375505
  0.7841996535366890  0.2161045720956752  0.9997097457302575
  0.7844934781881669  0.7839363182704575  0.9994689237785126
  0.2173865021942125  0.2171180560365785  0.9997274347754586
  0.2847091055020649  0.0007290952534601  0.2840922852448559
  0.7184465338537546  0.0014521525533924  0.7169309332880627
  0.2847185098714552  0.0015746414493161  0.7168818183383942
  0.7173217971618234  0.0000451850715881  0.2853381219386235
  0.0025263008654994  0.2838769276227706  0.7162619370125444
  0.0029512457323136  0.7162134678005598  0.2836539230606402
  0.0026289684523794  0.2838060953776937  0.2837732319415492
  0.0027737844985552  0.7162297410877886  0.7162649901352174
  0.0029396039697131  0.2164693594883581  0.2164155669687960
  0.0027730603074813  0.7838157005622658  0.7838526655892789
  0.0025526258436569  0.7838851201999871  0.2163778318645033
  0.0026166135446206  0.2161516846998137  0.7837916676857182
  0.2572199695230374  0.5550922612554441  0.3145905301084816
  0.7456212790249943  0.4470033880351532  0.6822320907573188
  0.7455537564947461  0.4451622312162374  0.3155474014439572
  0.2585959577868567  0.5522680729226246  0.6830377676471527
  0.7459462849918140  0.5520949636833797  0.6824571725615092
  0.2574661327160989  0.4503830577882338  0.3181643615445768
  0.2588944390758751  0.4470114475273121  0.6820420899927615
  0.7457814512505820  0.5504282972779174  0.3177074739836095
  0.3211549711544364  0.2556431284192702  0.5511014691632491
  0.6854726152603194  0.7422859835024265  0.4480405799138296
  0.3196477550988711  0.7440182557986686  0.4465724942635911
  0.6833358593198168  0.2565113987123185  0.5519509003178154
  0.6835687579615423  0.7432077482751187  0.5526783766003509
  0.3158258830246388  0.2567794753676391  0.4464195612943518
  0.6827273309352647  0.2562331575173749  0.4471550895775500
  0.3197680848995437  0.7432012601494320  0.5517433766318773
  0.5571674044613466  0.3139843468298143  0.2522271568221321
  0.4498050433276742  0.6829948946100046  0.7434972614641804
  0.4498577716671637  0.3171215991842906  0.7438952404139013
  0.5555592611501102  0.6826016916711839  0.2563919879496775
  0.5546790677892877  0.6820817323419968  0.7439131576141049
  0.4528189975422704  0.3208829044598951  0.2620197194211073
  0.4505260569212098  0.6820536956508100  0.2563886348636750
  0.5544768947126378  0.3175753245500106  0.7435730623411961
  0.5558394882700538  0.2555083908442586  0.6835940792036631
  0.4512522665573075  0.7424277298182473  0.3177761614513696
  0.4492139444594993  0.7440117055708296  0.6828513879317016
  0.5479402622993310  0.2608868861201284  0.3195032855155256
  0.5561211118167508  0.7439523425643111  0.3170683959057758
  0.4512809152453293  0.2565713528156448  0.6825979652676283
  0.4428889522353678  0.2531293452548757  0.3135061729319262
  0.5541436751553838  0.7428093199636583  0.6827513395349885
  0.2569565029917841  0.3198116737377580  0.4494058472458514
  0.7448159884385384  0.6823730633896775  0.5526036898373738
  0.7435367892744233  0.3181715584613256  0.5508800957468240
  0.2589683055016799  0.6828701016540774  0.4468888707614552
  0.7469377867026056  0.6817526416090794  0.4476561210510613
  0.2585748988405675  0.3149416391879392  0.5538366527840900
  0.2588589203457448  0.6824549888269293  0.5519325399701308
  0.7443504485712269  0.3162693511297266  0.4460568332021339
  0.3196901279567113  0.5518884767360525  0.7436287793057963
  0.6835481707004231  0.4467477942088942  0.2556657222883214
  0.3159983328238409  0.4464416058194888  0.2551404118628885
  0.6850415458224811  0.5519268447944723  0.7432953482049289
  0.6846501089793670  0.5512218715853705  0.2570753183123656
  0.3199375091033835  0.4466042767865223  0.7428772640226724
  0.6846621308443681  0.4472157731875689  0.7431561191098098
  0.3204592819160303  0.5515534224691518  0.2561588530252680
  0.2581895762253177  0.0531012096576783  0.8175571908634331
  0.7435610605839739  0.9481447829112086  0.1830784887862064
  0.7463051377667212  0.9476380525022783  0.8176547789793406
  0.2574299543688683  0.0521788407618235  0.1825949961526844
  0.7464338693473507  0.0529473326308402  0.1846343495009436
  0.2583282371684479  0.9478964251453387  0.8169071222478588
  0.2582703728573267  0.9471038912698763  0.1846985200163151
  0.7460339074323081  0.0527081630483899  0.8186602029918241
  0.3183756249054062  0.7569152540541509  0.0528241377544329
  0.6837888431071427  0.2439345415694670  0.9484334889571532
  0.3204098378108598  0.2441523707666034  0.9487871932788338
  0.6837655821117282  0.7584138001067603  0.0511389807029675
  0.6843453918040644  0.2429068248420628  0.0532374964691515
  0.3208702536490650  0.7565100421394536  0.9475758594312399
  0.6846942339938333  0.7554951911651011  0.9463724713961649
  0.3169922420137834  0.2440049869078093  0.0537031426249693
  0.5551945347917702  0.8178536357247087  0.7551558105859183
  0.4531079156706072  0.1801637831777799  0.2394665708772600
  0.4492206176886751  0.8161210603369587  0.2437470556220793
  0.5545313914554105  0.1819655488375507  0.7573631717520880
  0.5580833110638771  0.1860424667512234  0.2477308197784994
  0.4503399871631423  0.8181733914048206  0.7563295102156449
  0.4497353288870559  0.1829562665982930  0.7567322692320901
  0.5540608220397706  0.8170974273119683  0.2429561792707762
  0.5544418128106809  0.7558475508211145  0.1821114437724924
  0.4501220146760161  0.2435076660711717  0.8179547332885108
  0.4435947299749909  0.2475880279896524  0.1867586658394376
  0.5551344653076277  0.7570726721363398  0.8162549276723636
  0.5549927975013300  0.2439739507427165  0.8174179546053137
  0.4496326660319260  0.7557487785908824  0.1823561301154200
  0.4503623078943124  0.7571097507385830  0.8169503401120125
  0.5486278789781820  0.2384759769163270  0.1800726851331237
  0.2592709375031603  0.8168945687803116  0.9468419684440510
  0.7460640395109486  0.1826470121348142  0.0543795911934444
  0.7457448657989549  0.8180701699202796  0.0530153499631789
  0.2580696295541936  0.1848941847056381  0.9469352510817909
  0.7435603790080815  0.1816630412247415  0.9497002449677654
  0.2582637478525173  0.8187541982887154  0.0521389737947443
  0.2575417058605108  0.1817452011246238  0.0517681764979372
  0.7441181211240681  0.8177780007699461  0.9481449766867942
  0.3172855248293637  0.0536393241540656  0.2444919095994560
  0.6852155772585770  0.9481591699997871  0.7569540227283935
  0.3198155243303397  0.9487866862143715  0.7567781171596173
  0.6841029966018189  0.0513800546945045  0.2439510222091631
  0.6853451311018146  0.0531242067310711  0.7573856029507978
  0.3205996100941266  0.9485617001362417  0.2441139652071764
  0.6842861584084198  0.9463610667150292  0.2455145463450214
  0.3184345500255320  0.0540187973272571  0.7560252294452006
  0.7590261082625485  0.5519051536936229  0.8167992950113380
  0.2420060322615817  0.4503750456997412  0.1817624385878072
  0.2461356291221575  0.4460753603860975  0.8165860668753834
  0.7580486705078261  0.5519270008115864  0.1829573985126302
  0.2475441444975222  0.5555347126070278  0.1821241260837144
  0.7583185543676901  0.4468712971814512  0.8169455975858981
  0.7581495812217522  0.4465548909487793  0.1827107335896178
  0.2457478742392338  0.5511122885809507  0.8170854467014708
  0.8203793284927069  0.2554823878295795  0.0516659609811888
  0.1855170364501393  0.7431995563558775  0.9472038453131153
  0.8177797665362325  0.7436390637024960  0.9470652674493776
  0.1845355442246637  0.2563207257176010  0.0538087626111485
  0.1839888581993612  0.7456022615911513  0.0517701134059942
  0.8172052998938053  0.2554569295570211  0.9468062799177895
  0.1834680090093911  0.2583116426917712  0.9491327464932365
  0.8193247584360325  0.7438021670010841  0.0523049299014816
  0.0537451196799988  0.3176190591306360  0.7571870741088589
  0.9493668651747298  0.6824078089322315  0.2440455271375508
  0.9498410654092916  0.3170835032968204  0.2431828998378577
  0.0546422179813191  0.6820258956941629  0.7563113141374971
  0.0543844086036343  0.6829604958494602  0.2426974021155650
  0.9487934471696924  0.3159491560564334  0.7569498401981146
  0.9495653257374582  0.6829711718733018  0.7567196270857977
  0.0543625795604420  0.3173817945284154  0.2439092387037309
  0.0553548426414052  0.2557492664579450  0.1834329095491914
  0.9493897782052572  0.7439977118001122  0.8174888527400767
  0.9493711403765849  0.7431635543390328  0.1831458914018865
  0.0552084968736156  0.2556485519736061  0.8171098894525116
  0.0544732903805175  0.7430367817890987  0.8173308923397004
  0.9508350478036197  0.2566952271570989  0.1817589161269146
  0.9504613644740796  0.2563179360230697  0.8189363231082235
  0.0543107792092143  0.7444571443547732  0.1822862076132321
  0.7576446254730363  0.3177864447383153  0.9481844063888419
  0.2440856402844999  0.6836697525866274  0.0508347445186081
  0.2439262551225919  0.3186097269788196  0.0519057686995421
  0.7583537046421589  0.6814369387546717  0.9485229785193154
  0.2472866988795757  0.6829622582394602  0.9460711278905869
  0.7588338108911993  0.3159402398867798  0.0528906594776035
  0.7573604566959535  0.6841745097905234  0.0537558888269129
  0.2460219717332807  0.3173934967647160  0.9470167126612644
  0.8190096200010420  0.5518555880527383  0.2437101995993589
  0.1849716625922905  0.4465687380337003  0.7558656700490587
  0.8193461399081029  0.4466445971621503  0.7561338694824734
  0.1838962430678546  0.5523334605973479  0.2401502985197845
  0.1845673068728374  0.5512978985146268  0.7565938464543767
  0.8200870017587018  0.4468760569713743  0.2426878193252493
  0.1835478431710396  0.4475835048666782  0.2449417976149245
  0.8199915965124487  0.5518821418575033  0.7560839424966811
  0.7585651477170045  0.0525843587276065  0.3170833362145962
  0.2464900494647291  0.9470984490433649  0.6829698666505722
  0.2462317129428713  0.9464670994361648  0.3169847266177470
  0.7580376138145634  0.0532106619293748  0.6827999717168380
  0.2444110832100591  0.0520840664002308  0.6824911633338470
  0.7576515314757412  0.9473048701319601  0.3200024596623492
  0.7591286758168809  0.9484749448768411  0.6834846090835738
  0.2435682662431300  0.0513142202634170  0.3182943948032189
  0.8181224899528541  0.7565247188879252  0.5537785541094357
  0.1847353776731739  0.2446359552653505  0.4468412247475521
  0.8194737585365868  0.2435445641386305  0.4477096991201546
  0.1850845573008415  0.7564005568965316  0.5520885887730560
  0.1839385249005112  0.2419861230006945  0.5514389912366665
  0.8209803485493408  0.7548245090898199  0.4490647425689779
  0.1845932061642376  0.7563451193090465  0.4473188328015775
  0.8178665980463210  0.2448024094811727  0.5528062305695755
  0.0543075708822163  0.8178149043310409  0.2562692290136274
  0.9487051089323983  0.1836722090438940  0.7436108598172454
  0.9502203090015169  0.8176633359150526  0.7432457522405450
  0.0535146103730634  0.1823956038370681  0.2574848932914831
  0.0536353793590347  0.1828156536877794  0.7423410603241037
  0.9493538882204822  0.8169448092616443  0.2571915350170107
  0.9488656204572506  0.1829624107455509  0.2554658191469703
  0.0552039224399728  0.8170497355403031  0.7437995035750909
  0.0552575459818299  0.7560509319925987  0.6827922856389496
  0.9497119225413463  0.2431572355268884  0.3170494687121560
  0.9503461063258276  0.2432715273881989  0.6816170359262466
  0.0546532620073235  0.7565417931233690  0.3168854947528605
  0.0542269906054275  0.2440659212225240  0.3179045333166996
  0.9500462301470147  0.7565939929360553  0.6825087171764814
  0.9499129774982561  0.7560022075794433  0.3179009699616916
  0.0551194860037368  0.2448827358288490  0.6824787772856558
  0.7596955559590047  0.8155500506530747  0.4492353159613099
  0.2467071663047612  0.1828175863631592  0.5537483533247470
  0.2460136026960554  0.8170906651669392  0.5522098487100856
  0.7580765782499778  0.1833072704931464  0.4467907233528187
  0.2435408091329504  0.1815136704252670  0.4491391574792275
  0.7568543351980391  0.8172740495045807  0.5540965271860800
  0.7578485444039610  0.1830316952373069  0.5518901415141068
  0.2454606505544853  0.8172792721085530  0.4470665036901989
  0.8187437477567083  0.0537650750437668  0.7439611689339073
  0.1837611513074608  0.9483848593951695  0.2576959493452880
  0.8167231179122649  0.9449942268976060  0.2574622303069583
  0.1840901418053451  0.0532142536267797  0.7440360898248004
  0.1836906852718551  0.0530861111279752  0.2563572391364677
  0.8202407811035675  0.9485292444267265  0.7441723127099883
  0.1847277645539230  0.9483020938309108  0.7428276948295880
  0.8206192035784452  0.0500312679005936  0.2574859924251235
  0.1565356476272358  0.4954805900412356  0.3421519810599726
  0.8468542763022953  0.5112333014431495  0.6570770308258876
  0.8460886619148723  0.5073043716285013  0.3435529090412512
  0.1581479973147980  0.5070824015630460  0.6569368379149795
  0.3465531843001704  0.1572469769578067  0.5125856436908632
  0.6594456956733512  0.8446420854011437  0.5086640222548126
  0.3456966183079770  0.8437217205440727  0.5148455401436286
  0.6582390247084687  0.1557139272317346  0.4912870240803635
  0.4955445221731606  0.3455205609925306  0.1594868370292765
  0.4899910421912690  0.6572122797861593  0.8437046914487518
  0.4882570213104805  0.3432762722852603  0.8443343193889087
  0.4891193441806327  0.6543314095451438  0.1576763949242040
  0.4899946388934252  0.1550545947824311  0.6582957544054074
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