Cu  C  H  N  O 
 1.0000000000000000
    17.5000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   10.0999999999999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   32.0000000000000000
 Cu  C   H   N   O  
  40 132  60  12  30
Selective dynamics
Cartesian
  2.2065656960818520  6.7920941072138232 11.7185618324011909   T   T   T
  3.6127941531828389  8.0415024741128427 13.4797669944328007   T   T   T
 15.6242061775837122  6.4389138397551786 11.3596426699836073   T   T   T
 17.4626932525673340  6.8233815363094807 12.7731250136939263   T   T   T
  1.8833727075789346  6.1341375380420304 14.1031113380102653   T   T   T
 14.2705056128696022  3.6559255864305999 15.3669723091067336   T   T   T
  3.3094180912441078  5.2720798005734864  9.9997195982634626   T   T   T
 16.0920003608563071  5.3152454632776553 14.2842504490428635   T   T   T
  4.3363933799035257  5.6204184573962275 14.7378830097868008   T   T   T
  4.6319942531994744  6.8492370757369549 11.5891381759319998   T   T   T
  5.9350756428385925  8.8228300250809344 12.2553777382831015   T   T   T
  6.6006320545742625  4.8544259223831094 15.5316583258516800   T   T   T
  5.8750653898264584  4.7647655095317676 12.9720092268910712   T   T   T
 13.5896068447744121  7.5228783971990936 11.6603864215849224   T   T   T
  3.4439312753192377  4.8290323711517873 12.4404454401006461   T   T   T
  7.5646799885070113  3.2142413282565889 13.8489038769052701   T   T   T
 13.9287872272043511  5.1751858011262648 13.3904508969226743   T   T   T
 15.2735406591440572  7.6075643075708363 13.5995978473838850   T   T   T
 13.5348727388863406  4.5314085988436039 11.0754658985659464   T   T   T
 14.2458165603596747  6.1340156207854282 15.7098438213328055   T   T   T
  8.9258144743244827  4.0460673771000488 15.6513501367536261   T   T   T
 11.1332386038925808  2.4871657401487504 15.1124735112075612   T   T   T
  7.8529316760733998  6.7265034475825667 15.8967851998190746   T   T   T
  6.2029024969476971  6.8681642715872115 14.1083495688913700   T   T   T
  8.1774837334335775  5.5691357052132311 13.7773696631696101   T   T   T
  8.3782475810522232  8.0064834161922018 13.6765437435824708   T   T   T
 10.0558016768076524  3.9533053699691654 13.4559708344220859   T   T   T
 10.3988418460521626  6.3403888028488105 14.1921971242859577   T   T   T
 12.3122546200827188  3.1952818262059455 13.1373779800619239   T   T   T
 12.1303826517831457  4.7960885905470070 14.8579048564963738   T   T   T
  8.0495688532956677  4.2243084618784632 11.6107931005098521   T   T   T
  8.3543628937982390  6.3583568941570299  9.6638704661918595   T   T   T
  7.0267610813561054  6.6378439682820956 11.6452995857696706   T   T   T
  5.9848712852862462  4.9439542836116974 10.0857816110871621   T   T   T
  8.5922666890124866  8.4976571046217746 11.2549434021135202   T   T   T
 12.6018787561984205  7.2280477206177753 14.1688645569185372   T   T   T
 11.2843291826273973  7.3061340305020881 10.1861547308081501   T   T   T
  9.4938807412220818  6.4843112372781597 11.8447515414462625   T   T   T
 11.8475553090378760  5.6944279928151040 12.2368275386702852   T   T   T
 11.1853245547905580  8.3421450741648311 12.4677753233245348   T   T   T
 12.7414492134923396  5.6142378740583423  3.3623542975856928   T   T   T
 11.2949701829560372  5.3102183110195913  2.9652000976684096   T   T   T
 11.2730326189656971  4.2294403807428234  2.1319301469310976   T   T   T
 10.1534283833024812  3.6478302962267937  1.5039950273829119   T   T   T
 10.1068541988524885  5.8507414745421302  3.4682475795071839   T   T   T
  9.0294280615479074  4.3191343702704241  1.8665706912727231   T   T   T
  7.5932098814125411  4.0087665419277423  1.4437919823093472   T   T   T
  8.9933749852534248  5.3573783997207602  2.8313500918922943   T   T   T
  5.3715792137645746  4.7163232866772740  2.4964681752267488   T   T   T
  4.9678496818570439  3.5290321372033451  3.2067734770999454   T   T   T
  3.6197533097806147  3.3076846362735570  3.4796677957279583   T   T   T
  2.7068095602556626  4.2815037258619517  3.0358498480202241   T   T   T
  3.1110453076190141  5.4019185299827654  2.2632615709263102   T   T   T
  7.5626760738011605  5.7039838635504374  3.0866384750614686   T   T   T
  4.4823496743660547  5.7189929762412071  2.0942056935177602   T   T   T
  0.2081036652855754  4.3042850740603678  3.1913944435605184   T   T   T
 17.1553053172711216  4.1007058061897483  1.9454392235611040   T   T   T
 16.9371851045030652  4.9685686361405663  4.1602334721069694   T   T   T
 15.7337850315394956  4.1532140916736209  1.7474641966838591   T   T   T
 15.5399223687713430  4.9629405379564195  4.0405813100385215   T   T   T
 14.9765674139445242  4.4286072008983490  2.8758526327221023   T   T   T
 12.7020593582919705  3.7002798603252098  2.0975193788636126   T   T   T
 16.0119700974915489  4.9617126967614471  8.9654106341225095   T   T   T
 14.6547547602953685  4.6826055815595566  8.5516689026421631   T   T   T
 14.6426740343098913  3.4218645634291027  7.8341239826863136   T   T   T
 13.4630096501235919  2.8371707783882290  7.4297881689957501   T   T   T
 13.4702984800573020  5.4016522187475617  8.7929488709947368   T   T   T
 12.2988543362625879  3.5164240627418226  7.6635801143980604   T   T   T
 10.9937336534454158  3.0723836417605606  7.4299529583064290   T   T   T
 12.3291017900480160  4.7793408953600931  8.3472825456762152   T   T   T
  8.7712513645723185  4.3956569921581865  7.6255146296465117   T   T   T
  7.7957290507337129  3.3866970339660205  7.9586917940620161   T   T   T
  6.3974074640186647  3.6113737871423384  7.7813013675252929   T   T   T
  5.9192794474291830  4.8513366453565192  7.3007025979933955   T   T   T
  6.8903955610575096  5.7941078907938541  6.9290411644830625   T   T   T
 10.9996494126355682  5.2583657004318853  8.2740046304406167   T   T   T
  8.2351691039836528  5.5506769022741063  7.0621790674822371   T   T   T
  3.4038825495586913  4.9844543805963033  7.5622494067484993   T   T   T
  3.1255651359391803  3.6759611597178767  8.0855822659938781   T   T   T
  2.3512280998042789  5.9341917892924005  7.4178187741296098   T   T   T
  1.7340107026985652  3.3533900293984518  8.2931695259574241   T   T   T
  1.0401778091043248  5.5549247846123873  7.6634273217351581   T   T   T
  0.7044075784800369  4.2719011757209264  8.0365369082731615   T   T   T
 16.0445458179765836  2.9698105959201908  7.5976002373397087   T   T   T
 12.4311274923079758  0.6733836044145862  3.2918408964573058   T   T   T
 11.0497407746780567  0.3335720465099249  2.9443308479402592   T   T   T
 11.0612771842116739  9.5811204679280149  1.7937257359095520   T   T   T
  9.9190824736642114  8.9613423572915529  1.3069691771157601   T   T   T
  9.9326628508008277  0.6883425749064451  3.6383870943796897   T   T   T
  8.7345565337714586  9.3118802337400357  2.0200606739364257   T   T   T
  7.2454789022069068  9.0037183831009795  1.7561852617517089   T   T   T
  8.7772200393089506  0.1343314297468970  3.0442075429720159   T   T   T
  5.1094721248443697  9.5494110104555698  2.9473688167026562   T   T   T
  4.7133223446053432  8.7263829831719129  3.9845144655619551   T   T   T
  3.3288122874239998  8.6082256262181485  4.0811327940623165   T   T   T
  2.4110665215266214  9.0906758681014139  3.1772463474161663   T   T   T
  2.8874566973009097  9.8422172911513748  2.1387121960691071   T   T   T
  7.3584687799163735  0.4193414332180858  3.4994368048261442   T   T   T
  4.2331885523026260  0.0266337094818489  2.0120405639596002   T   T   T
 17.4518659188172123  9.2672927227760198  2.8685053793928863   T   T   T
 16.9382055895475787  0.3976886779708789  3.3329911794961919   T   T   T
 16.6010449982409689  8.3522295498709926  2.2218646071807102   T   T   T
 15.5583375588690789  0.6082546890151832  3.2756047088182880   T   T   T
 15.2830304218319988  8.6231712368304247  2.0988177979045921   T   T   T
 14.6975561591442236  9.7900873736952629  2.6650540421973634   T   T   T
 12.4292902198670152  9.1606708040040381  1.6064022915728320   T   T   T
 14.3945000663311280  8.9299421546480939  9.2060223392961209   T   T   T
 13.0381406544505793  9.0194927626222992  8.6996760409042082   T   T   T
 13.0470696392881091  8.7448281188006387  7.3352245766019202   T   T   T
 11.8897004912458861  8.9111257104020218  6.5547946613784767   T   T   T
 11.8775229433662091  9.4240547021156367  9.3831959936569351   T   T   T
 10.7081386193270376  9.1786678692623234  7.2266565906243940   T   T   T
  9.2895954393178801  9.0094977389349289  6.7693024492826943   T   T   T
 10.7475157011351747  9.3799134635211754  8.6182720841470530   T   T   T
  7.0460249415170448  9.3835296847407736  7.8025466160208188   T   T   T
  6.2823521730385377  8.6144027598717301  8.6524767123817661   T   T   T
  4.9482285220842783  8.7718339527971487  8.7988217234081283   T   T   T
  4.2835566986518305  9.8021592099586474  8.0889643252152457   T   T   T
  4.9968519768575277  0.3425717459589824  7.0425354311089698   T   T   T
  9.3296284920417172  9.6544633352390612  8.9764308981614498   T   T   T
  6.4157268931568332  0.1642263784193200  6.9282984959737570   T   T   T
  1.8998702125332274  9.6791360132620543  8.3304205410090297   T   T   T
  1.2843058129735816  9.5423965035594946  7.0945839298987998   T   T   T
  1.1757785481213809  9.4099719951232998  9.4776362986975524   T   T   T
 17.4147453688184726  9.2890234346239566  7.0324027093812802   T   T   T
 17.3304723372337577  9.0146184126329327  9.4238286639882247   T   T   T
 16.6603166726569434  8.9497006249414781  8.2106314533038720   T   T   T
 14.4026722205654991  8.6438255131292010  6.8718618612601539   T   T   T
 13.9335763928779368  0.9874351063397439 16.9433789709671636   T   T   T
 12.5709624168156857  0.5818179154133710 17.1470381024718144   T   T   T
 12.4916128840373570  9.2827068050817818 16.9567696534621923   T   T   T
 11.3896551655330125  8.4645290134060982 17.2837331292402041   T   T   T
 11.4731720185109953  1.4571956731004327 17.3268012905642088   T   T   T
 10.2474598171575337  9.3072553674748377 17.3388585674269535   T   T   T
  8.8035716919184921  9.0082528416913501 17.3180382473574248   T   T   T
 10.2593729028556648  0.7046084162805298 17.2694727870402289   T   T   T
  6.6129442710554596  0.1719080600767290 17.5319623212530651   T   T   T
  5.7721899204473903  9.4729057747565761 16.7049601695634813   T   T   T
  4.3302614027850348  9.6701399794970548 16.7746322797211214   T   T   T
  3.9161446988968840  0.4395964397588605 17.7208860725045980   T   T   T
  4.7164330128389587  1.1720579233420225 18.6515479028729807   T   T   T
  8.8800910369953723  1.1149412234528966 17.1819825650360194   T   T   T
  6.0750689757293461  1.0225910118820001 18.5997064797475247   T   T   T
  1.4103704591168524  0.4349979952464469 17.2965196969888240   T   T   T
  0.6195287702507208  1.2670176815175658 16.5019043731702055   T   T   T
  0.7752336518277295  9.3707853992369419 17.7830324645576638   T   T   T
 16.7633041191553254  1.0264401277160360 16.2189664468563173   T   T   T
 16.9610374854989274  9.1011226985303537 17.5971920687447643   T   T   T
 16.1770499829158183 10.0227687931676286 16.8920740776680312   T   T   T
 13.9709589532832847  8.8592409422082348 16.9631750332069586   T   T   T
 14.3684017600558729  1.8168842433239283 11.6046569782216089   T   T   T
 13.0438771996799723  1.3394895112726390 12.1273328867387331   T   T   T
 13.2036722419044175  0.3796525547274027 13.2444223330720039   T   T   T
 11.9871289101082699  9.7381351526256257 13.7981424432717663   T   T   T
 11.7681928308103601  1.7325201652092712 11.5139624240819938   T   T   T
 10.6813027967899643  0.2578880938793104 13.2786346190611706   T   T   T
  9.3209261896727469  0.0715983122887289 13.7110956757466234   T   T   T
 10.6555824302961373  1.2620362622794810 12.1921483535556803   T   T   T
  7.1234657927311105  1.1625994424086930 13.0715145463281921   T   T   T
  6.4219807513242841  1.4132234562870036 14.2589370134847719   T   T   T
  5.0754311824288489  1.6774404974306028 14.1272263719847224   T   T   T
  4.3030425287122815  1.4748636087498874 12.9682309965171516   T   T   T
  4.9704207033130299  1.0286417540188415 11.8560297637370589   T   T   T
  9.3087687970726751  1.6380859646564021 11.9285306578217885   T   T   T
  6.3911733389128695  0.8857014898485287 11.7930966336861189   T   T   T
  1.9661583902385664  1.8665288324204625 12.5002174654337637   T   T   T
  1.5580421250460881  0.5647337724764637 12.5848027270993050   T   T   T
  1.0323721450211405  2.9482193118357873 12.3434968060614878   T   T   T
  0.1713505448204936  0.2549867127112866 12.4146549442264735   T   T   T
 17.1992623392295343  2.5802721836248388 12.3149735890230687   T   T   T
 16.7145071502293909  1.2342854810946577 12.2820710072337338   T   T   T
 14.5948924686699542  0.1926911632670255 13.3102302829905756   T   T   T
 10.1082769976410862  2.9314506395585087  0.7027494599238656   T   T   T
  9.9540611413334901  1.3426951550109458  4.5293751464988388   T   T   T
  5.7070370466527454  2.7937910590832833  3.2849447741226849   T   T   T
  3.2009952072928751  2.4294191182133575  3.9192887624928705   T   T   T
  2.3550798446353092  6.0479816111436566  1.8254424822350177   T   T   T
  4.7218764443019339  6.5989970727534883  1.5379217084237249   T   T   T
  0.2468741130187131  3.7614673437113688  1.0849409169407136   T   T   T
  0.0060476415722680  5.2298309929903626  5.1295195432697342   T   T   T
 15.2479997150005264  3.8503941315427079  0.7818593852644063   T   T   T
 14.8900107261479491  5.3899351365081625  4.7980047826417698   T   T   T
 13.4347250074974696  1.8973630856931689  6.8952027861698371   T   T   T
 13.4287838065460647  6.3478934881775215  9.2708230043581565   T   T   T
  8.1204325568985389  2.5293179490791169  8.5132357780917207   T   T   T
  5.6996830769134288  2.8967811620401527  8.1689615154082169   T   T   T
  6.5908073785223102  6.8639435048297095  6.7345401719731681   T   T   T
  8.8568377914935592  6.3438795113476720  6.7376219249379199   T   T   T
  3.8348323133323499  2.9263321525629640  8.2433881081999747   T   T   T
  2.5616590674659179  6.8897154975125297  6.9802366048225055   T   T   T
  1.3742440685758290  2.4013787911822639  8.7107852798201542   T   T   T
  0.2207354449762282  6.2804576520515729  7.4256865637406468   T   T   T
  9.9736426442813979  8.3058905390028048  0.4080774897270528   T   T   T
 10.0059084096593516  6.6983895290899076  4.1240060765127007   T   T   T
  5.3788544416348998  8.1999003715127756  4.6817978961506048   T   T   T
  2.8689503257565221  7.9768083392668618  4.7685857189283745   T   T   T
  2.1214391475160839  0.1242678016866524  1.4447803231632319   T   T   T
  4.5773525800703423  0.6723162268552035  1.2298727910163680   T   T   T
 17.4717170268953303  1.0312156509025905  3.9505593947539746   T   T   T
 17.1337286406394291  7.4131089436106024  2.0518474700093310   T   T   T
 15.2040260200411481  1.4753436737833572  3.7797414845277086   T   T   T
 14.6232636712193020  7.9536294233165989  1.5587267569870431   T   T   T
 11.7079452281551042  8.6804785063693615  5.4452399303371104   T   T   T
 11.8507037375631867  9.9801966304679262 10.3210598803355005   T   T   T
  6.6997246772524939  7.7008788699723443  9.1798568098052762   T   T   T
  4.3219586411585116  8.1409380749836195  9.5153750487929560   T   T   T
  4.3006434739183259  0.9901848290481429  6.4449454039720671   T   T   T
  6.8873477945229293  0.8507702948606981  6.1755521066328516   T   T   T
  1.8686768808932390  9.7885610755104118  6.2214478780735964   T   T   T
  1.6671685256085125  9.6968724479860722 10.4461596944943640   T   T   T
 16.9494378511557606  9.4095348641860568  6.0372273644750178   T   T   T
 16.8212378469224362  8.8206283186514352 10.2985325644319481   T   T   T
 11.4856680569040410  7.4126005000806918 17.5032622213847731   T   T   T
 11.7883795028845881  2.3423548023853011 10.6399102145749538   T   T   T
  6.1319436501956783  8.6968268028235993 15.9971485564127320   T   T   T
  3.5703535993660265  9.1893679541665740 16.1356706796570251   T   T   T
  4.1468380341037356  1.7365449962541892 19.4499022845562557   T   T   T
  6.7331567845711113  1.6162579620378750 19.3023989628315817   T   T   T
  0.8887592909289801  2.2029656346863185 16.0717869625388374   T   T   T
  1.3550068372801194  8.8395275759929710 18.5110601699115129   T   T   T
 16.2955598927094094  1.7609408052981101 15.5881531906704698   T   T   T
 16.5320304239150602  8.1914063834524331 17.9694299936041908   T   T   T
 11.9930651582959982  9.4440538909864085 14.8435577547780504   T   T   T
 11.5669632623705105  2.4667680374125869 17.7175256729705595   T   T   T
  6.8435636275260290  1.5241339994836176 15.2961478207064570   T   T   T
  4.5308728704304277  2.0753153438839869 14.9916605694793592   T   T   T
  4.4083858290784015  0.9161666239464675 10.8953121838961753   T   T   T
  6.9228237755958446  0.8046073955732058 10.8324258130807962   T   T   T
  2.3506536806910288  9.9197394943509760 12.6824601135859005   T   T   T
  1.1798102686571963  3.9408292755126166 12.6628964932752837   T   T   T
 17.2000473492306192  9.3258435031788984 12.2756994910664989   T   T   T
 16.4468465853268029  3.2573476467378879 12.6858139429085224   T   T   T
 13.5415873089159451  4.6130107430134224  2.7456901918529506   T   T   T
  6.7797096238140124  4.8494104605047834  2.2675921390052962   T   T   T
 16.8284069588824643  4.0845465023358454  8.1822960961648228   T   T   T
 10.2053110311060511  4.2812143758510954  7.7678424331247555   T   T   T
 13.2984710875826515  9.8991274678115690  2.5067384507842334   T   T   T
  6.5138159904230015  9.6697948433443770  2.6911863632380864   T   T   T
 15.3019570638277411  8.7804334903635510  8.1169275191710373   T   T   T
  8.4500132059993103  9.3231410520534244  7.9014171700142084   T   T   T
 14.7394437805007410  9.9124818647782842 16.9191283218585760   T   T   T
  8.0692357636501182  0.0634163875458890 17.4357388598487937   T   T   T
 15.3294110893816651  1.1278135244714353 12.3440335692656387   T   T   T
  8.4981832761621181  0.9938697822467054 12.9599114574868057   T   T   T
  7.2556715291381657  3.2499436648640856  0.5669511698657568   T   T   T
  1.4912605908532628  4.1654435016400644  3.6356283161240670   T   T   T
  7.0751185518946880  6.5530536883651713  3.7974919664422240   T   T   T
 13.1351474286345038  6.5370083938959649  4.0079936316682527   T   T   T
 13.1010313250000063  2.6682742390000005  1.5687104000000001   F   F   F
 10.5440729112233864  1.9454245216610784  7.1239644069344257   T   T   T
  4.6020000328735131  5.2984292368135169  7.1022107410680579   T   T   T
 10.4400357903138445  6.3689314272926465  8.6694466693343681   T   T   T
 16.4486945833546443  5.9250032767641292  9.6713987293326653   T   T   T
 16.5669927190339870  2.0765437410175127  6.9762430123989052   T   T   T
  6.7289826000000108  8.2059665760000051  0.9790630720000000   F   F   F
  1.1338024420285477  8.6785655904072350  3.3786075576647647   T   T   T
  6.8158302856966948  1.2255192909550812  4.2355741911957692   T   T   T
 12.8087121818771124  1.5950182340498964  3.9500460389664194   T   T   T
 12.7551152174052671  8.3300828737567052  0.7979434994346880   T   T   T
  8.7657712531769096  8.6426811492073465  5.7137600587303972   T   T   T
  3.0574490086678621  0.2571183885598889  8.5680528646922074   T   T   T
  8.8243195786853015 10.0614390856585700 10.0868587831963001   T   T   T
 14.6077210683844427  8.9591411542391732 10.4250508941274980   T   T   T
 14.9120171328638893  8.4517286787819863  5.7903482001699293   T   T   T
  8.2755678621442073  7.8127226441737729 17.4669572700502300   T   T   T
  2.6264079056542142  0.9951983444246536 17.7680471294510518   T   T   T
  8.4857499837964507  2.3259154081625968 17.0088885180743077   T   T   T
 14.3972442445668758  2.1438894391343841 16.7421024572199144   T   T   T
 14.3030629167874732  7.6099157308849401 17.0385128034807423   T   T   T
  8.8743995640376241  9.5693875831932669 14.7036337449328602   T   T   T
  3.1897618453285292  2.3087931816651346 12.9603739999769765   T   T   T
  8.7983420281660241  2.4366232617848116 11.1056869547361288   T   T   T
 14.5691712311783608  2.7704778996898702 10.8280007520639323   T   T   T
 15.2962550685563485  9.6861519288264439 14.1031225075203199   T   T   T
