Mg Cu  H  C  N  O                       
   1.00000000000000     
    19.1507000000000005    0.0000000000000000    0.0000000000000000
    -0.0000334870000000   19.1864999999999988    0.0000000000000000
     0.0006410970000000    0.0001349690000000   19.3326999890000018
   Mg   Cu   H    C    N    O 
    11     1    73   120    48     1
Direct
  0.8635178476148440  0.0001623809849960  0.9963564329327994
  0.1364709753991136  0.9998595637617953  0.9963760887491233
  0.5000115341924953  0.5000960010574929  0.1339249045127247
  0.0000898029843626  0.6355584560326335  0.5014731519920232
  0.9999091903116266  0.3644985986260068  0.5011333132729732
  0.5001352366475444  0.6248510693108358  0.9999234463369930
  0.4997212498784833  0.3753527265181091  0.9995825731012928
  0.0000021621582462  0.9999616278021932  0.8611471760008982
  0.0000061518623369  0.0000903081109271  0.1282029929296087
  0.8646465937815719  0.5000423628538258  0.4979299324707469
  0.1353427007381072  0.5000866641128923  0.4980328668772813
  0.5003153933946933  0.5007434858224897  0.8528570768377648
  0.8892920829955955  0.2379074148658162  0.7363518809116130
  0.1071948256728064  0.7678359398422145  0.2648031574954786
  0.1106587879809666  0.7618179749275811  0.7366436146064999
  0.8925395983614806  0.2322562361666556  0.2646888434058141
  0.8929384275156238  0.7680178384602954  0.2648191925035306
  0.1100067637868847  0.2373648530656922  0.7353292612045195
  0.8899556681348102  0.7624731312074715  0.7354880595100752
  0.1072032899058186  0.2321306265959322  0.2647483281131073
  0.7359752255633438  0.4012107725153342  0.7373036362282761
  0.2675102441852033  0.6108077963552105  0.2683225831338376
  0.7310528960632610  0.2424454318645175  0.8944389562678197
  0.2668380786102063  0.7666309816989596  0.1086889053880498
  0.2651217700734634  0.5994595421814495  0.7371613901891010
  0.7321717298832340  0.3892249140303790  0.2681130935125040
  0.7330015028499588  0.7593724364459078  0.8946360316893660
  0.2669671703172298  0.2335624183853469  0.1086149374476832
  0.7328634648660497  0.6108541822788496  0.2684446560983673
  0.2641313509122227  0.4001563803237147  0.7380133146491801
  0.2692947004982003  0.7580928929406952  0.8943505050943656
  0.7330185459287648  0.2333841689845926  0.1084825193166665
  0.7353097744748851  0.6001287560719675  0.7381074556641920
  0.2672832347265910  0.3892921476368087  0.2682791334345964
  0.7332246869928483  0.7664407440732646  0.1086459729471372
  0.2666672490188304  0.2410110882229617  0.8946929301050375
  0.6237778922479933  0.4357186858167026  0.7663580363027407
  0.3595932494695120  0.5558997905707059  0.2124059237631784
  0.3813698101838767  0.5687789223814619  0.7646624635157693
  0.6401295485666196  0.4441665433147008  0.2120241871198658
  0.6221842430615467  0.5651117066167615  0.7723328872064243
  0.3583021904698995  0.4442004082680171  0.2138770064374143
  0.3740541101707535  0.4390683782880203  0.7746962404900302
  0.6419311825562986  0.5557887646862767  0.2138739028874710
  0.9450994423793730  0.2908468388312997  0.6455316643355999
  0.0608244183432234  0.7227337311907363  0.3650209233068935
  0.7856657342528663  0.1430699928050956  0.9452766561524300
  0.2223736069572269  0.8628573143112561  0.0603024927021778
  0.9387419397974384  0.2770917433492457  0.3650188542736004
  0.0554251222939115  0.7095136095014141  0.6455652861266756
  0.7788953364322992  0.8620812556038828  0.0591940081132520
  0.2145477495011079  0.1421969923391018  0.9439685098503361
  0.9432433740267641  0.7117698935159424  0.6441335150850875
  0.0587684158549280  0.2797279823359560  0.3635420817577995
  0.2144612319252772  0.8571105945571276  0.9452357927448105
  0.7774570091182014  0.1370683482675261  0.0602802505942321
  0.9409995840328662  0.7208344857967361  0.3640707197652020
  0.0570202166476577  0.2875747605346177  0.6435329781706045
  0.7853056852743947  0.8579210695278263  0.9439167840179152
  0.2212423912828925  0.1378887243351912  0.0592028015047674
  0.9385209859857042  0.1435803577213477  0.7814133570890505
  0.0545053096683432  0.8601277875432132  0.2089687421983797
  0.0613428009679708  0.8562793894256799  0.7816223294520626
  0.9454375467155671  0.1400840079024022  0.2088063230845592
  0.9444711660577099  0.8610909548326475  0.2103824091986226
  0.0595677122050304  0.1428798603953680  0.7820945863021223
  0.9404944576642009  0.8570215736317977  0.7822352805663257
  0.0556057905610245  0.1391083111208147  0.2103348214327880
  0.7783181721872694  0.4415018019181360  0.6347938987820001
  0.2116032359266669  0.5559436003805089  0.3564618498151333
  0.6489918331674716  0.3178214369594627  0.9557733793269207
  0.3638391428515746  0.7222183096143553  0.0622556601346318
  0.7883229562517116  0.4441936730352083  0.3563211555509369
  0.2219026814753278  0.5585439924126092  0.6348833844720971
  0.6532434468063215  0.6888474072785868  0.9574068811149772
  0.3663014113567726  0.2780205558791096  0.0637526057250781
  0.7865378029100398  0.5573560448720372  0.3574529167644442
  0.2190659750289399  0.4434552465134161  0.6365370593347990
  0.3488143606454628  0.6804342020659746  0.9571239408115986
  0.6364853403106636  0.2780695636555564  0.0616209841707516
  0.7801897973190961  0.5569861165656889  0.6362536017730989
  0.2139903750066452  0.4425404172970531  0.3577379261011231
  0.3480576377745734  0.3090986348399696  0.9560909759380252
  0.6335806562401913  0.7223042943877616  0.0641312388184474
  0.4995503411310125  0.4558747962625489  0.7277338399708810
  0.7258056303049329  0.3255361566270452  0.8189352759318780
  0.2747343077858204  0.6852873125850110  0.1850579589004937
  0.2748880035816299  0.6751371792629826  0.8187811329512513
  0.7250691644278930  0.3147512602042966  0.1848282962045218
  0.7266740705494357  0.6761097315110121  0.8197168532598624
  0.2746866620993202  0.3148012933112270  0.1851231334493519
  0.7254917161572507  0.6852570819158075  0.1852115846228060
  0.2729208507398653  0.3242727627581203  0.8197240948763991
  0.8159050823266440  0.3224929826657075  0.7289680183326013
  0.1836871385451957  0.6858068440879919  0.2740325977754949
  0.8147896546867983  0.2330789541460092  0.8197903039419074
  0.1840840422903582  0.7751286176920189  0.1835729102515060
  0.1845851761541368  0.6777078470402600  0.7290026746403271
  0.8159960161264905  0.3142169248089886  0.2739306978856177
  0.8161058518607192  0.7750561716982247  0.1834622169701134
  0.1840038557121275  0.2319495189746377  0.8191080402121855
  0.8158576670410795  0.6782931552038036  0.7288909468422844
  0.1835021648060930  0.3143117831547499  0.2739332841772395
  0.1853347429666812  0.7670418961960479  0.8198818586653047
  0.8156923729870940  0.2248985089036850  0.1834415266371394
  0.8166530356593640  0.6858334253324756  0.2740248389006368
  0.1838858920214932  0.3217315110467993  0.7287843916274852
  0.8159054511070423  0.7680947244607808  0.8192187334935852
  0.1840653312414346  0.2250183849418264  0.1834296296956808
  0.8437588023960032  0.2624630575344327  0.7597790276762950
  0.1544867397904852  0.7451534782911153  0.2429355445784722
  0.1564087740243281  0.7375278155473239  0.7599300671069855
  0.8452277391523637  0.2548894914028565  0.2428201959721648
  0.8457481575784840  0.7451972594274352  0.2428853705210230
  0.1555495170354604  0.2616051677909965  0.7590496934390742
  0.8443387452636060  0.7383440196259485  0.7591924567365709
  0.1544044273912206  0.2549332722080564  0.2428170924222144
  0.7572117409534158  0.3535281308761498  0.7595591928884815
  0.2441647117525605  0.6568085361489722  0.2446574975399827
  0.7552018920808266  0.2651408788363554  0.8485519358048350
  0.2441558402129189  0.7445562772652963  0.1554894040517070
  0.2435511392479768  0.6469964559188028  0.7594226366908714
  0.7555303327566918  0.3432047012136721  0.2445018027843773
  0.7565802107651081  0.7364941739401729  0.8485777987210454
  0.2441628213852027  0.2556010230142292  0.1553833660952293
  0.7562029118898224  0.6568132264996294  0.2447211203138693
  0.2424044331390007  0.3525467086107810  0.7599911035892504
  0.2451513859825027  0.7353136568799883  0.8485079688472652
  0.7556443882934047  0.2554608207951148  0.1553083636382055
  0.7571923967052570  0.6476875625334131  0.7600371395801133
  0.2439720045534486  0.3432844439210001  0.2446243930072285
  0.7560274707835930  0.7444301473498669  0.1554273330527920
  0.2431709981452528  0.2637831534068766  0.8485441769299698
  0.6636947128809680  0.3600169667236415  0.8481055418709857
  0.3357440807589569  0.6533009892034727  0.1524101652473036
  0.3370956558387732  0.6408962311461153  0.8480548505552079
  0.6641795943310527  0.3468063212514068  0.1520149798875536
  0.6653785979028939  0.6424884755312235  0.8510415001195639
  0.3360510762601550  0.3468094395499719  0.1532801937487278
  0.3341071777098605  0.3580395133486647  0.8511371929095546
  0.6640824366849145  0.6532853461139538  0.1534188189796382
  0.8476204145936421  0.3525400668443126  0.6668752945701115
  0.1511207007249524  0.6539975920682224  0.3348901086596143
  0.8469931045114976  0.1703419222939573  0.8498833587315104
  0.1525548309224263  0.8357219790105859  0.1500323287306173
  0.8485829205352999  0.3459924848268585  0.3348166579775693
  0.1527732196638496  0.6476027404982787  0.6669637457435655
  0.8475779904330025  0.8357204156404165  0.1499997414561847
  0.1519276655885307  0.1693922998825954  0.8493676521822096
  0.8474454822577542  0.6479722721111969  0.6668282240626056
  0.1510961468697687  0.3463031202726867  0.3347649321451414
  0.1529825463146821  0.8296846885068021  0.8500023281460969
  0.8473005884806000  0.1643348064181467  0.1499356014239765
  0.8490544575506007  0.6539131576966710  0.3348906259179429
  0.1523178986935179  0.3519453792821068  0.6666745983402933
  0.8480605529581098  0.8306098220049947  0.8494550688390134
  0.1525578358595325  0.1643608660407381  0.1499878445147260
  0.6209141274734904  0.4109576927260576  0.8166950301294520
  0.3705118231699132  0.5914313212633502  0.1700729852462857
  0.3812422830234823  0.5913381726204250  0.8161208733895080
  0.6293490538740514  0.4086481173374494  0.1696441780954601
  0.6221408291011414  0.5901748088549468  0.8226326384337881
  0.3703276370488950  0.4086173506807782  0.1718999416476166
  0.3763223102807487  0.4117321458216381  0.8237757793304397
  0.6298411836401101  0.5914386047101985  0.1719708060380398
  0.9089707266212628  0.3323787373556542  0.6324098551654203
  0.0930317669157787  0.6768561040385919  0.3731217059233529
  0.8278246519569734  0.1325977790491706  0.9091885773844837
  0.1761230958330700  0.8721834443794805  0.0914610996397869
  0.9066363968216535  0.3230505640558476  0.3730689455742748
  0.0914283479542348  0.6678479467641694  0.6325112377969759
  0.8246148115125962  0.8718472739166785  0.0909764285899399
  0.1718794610934893  0.1317435376424854  0.9084680365387712
  0.9080951288624348  0.6691702358941498  0.6317674203266748
  0.0921048414131462  0.3246642039951837  0.3723080585792644
  0.1722180467649466  0.8675145171151826  0.9092263372421598
  0.8237503427063970  0.1278225661096428  0.0913938560576284
  0.9078489941875461  0.6757292734908020  0.3726349658402057
  0.0919327383621749  0.3304284149778098  0.6313748212585466
  0.8280369205747675  0.8683354120611639  0.9084788989635797
  0.1755004239037419  0.1281920997056503  0.0909764285899399
  0.9056235512478992  0.1329230721375012  0.8259410226758490
  0.0907727638603149  0.8709846731732682  0.1672099604214239
  0.0942738080882108  0.8670022411975609  0.8261101661478847
  0.9091483449207729  0.1291636019603928  0.1670827148736578
  0.9088091547381367  0.8714970070222847  0.1679998138825951
  0.0930339239208706  0.1321219864044991  0.8261737889217713
  0.9069840444021438  0.8678293841297773  0.8262741370366768
  0.0912690726267513  0.1286606379730131  0.1679610195082688
  0.8242477633619814  0.4092348971704212  0.6271472689742552
  0.1698038881043544  0.5920449383076658  0.3689081196138133
  0.6324477078245039  0.3506859902268147  0.9131616385732357
  0.3722544215538193  0.6758391261233712  0.0934039219057610
  0.8300394881525008  0.4080092889944211  0.3688010471406926
  0.1759835228701760  0.5908250769838332  0.6272584795139764
  0.6358088403494619  0.6543244627019504  0.9164798507234551
  0.3740166083863343  0.3243466582208185  0.0951481169752100
  0.8292340767627522  0.5925833343663882  0.3693824454971733
  0.1742652308618915  0.4098884761584927  0.6279381569520694
  0.3666213613547242  0.6487987192016007  0.9140916690402818
  0.6279327316227636  0.3243977522555923  0.0928090748328430
  0.8252652502808573  0.5902486255745885  0.6278879828946202
  0.1710985389707460  0.4074719274174967  0.3694522753709535
  0.3646239766433155  0.3448709450097880  0.9158663823508633
  0.6260106144460167  0.6758667356929777  0.0953969182291843
  0.5688660381703627  0.4279896747592815  0.8602362840918545
  0.4232481783714590  0.5785017098538816  0.1255391125596006
  0.4319903421967268  0.5735805821128608  0.8606516425262498
  0.5767984477102104  0.4216768633773711  0.1249235751537086
  0.5719750433466757  0.5739307735664525  0.8684436219231060
  0.4242430568052384  0.4214777374244107  0.1288511176099263
  0.4272087758291221  0.4272568051903249  0.8691419206608799
  0.5758785162949849  0.5786340705518001  0.1289581900830470
  0.9206364648267424  0.3731849038240824  0.5767456178570072
  0.0791479316406125  0.6327794307361145  0.4256694618280079
  0.8704576564077371  0.0773760700074604  0.9189725185881272
  0.1323947647012034  0.9248205654519879  0.0757281704486701
  0.9206221946130881  0.3671410919736715  0.4255706654880740
  0.0796044606679871  0.6270076426543625  0.5769044161625629
  0.8682138213246944  0.9247726151720954  0.0757136872155897
  0.1293280918184792  0.0766234582903280  0.9188592390151129
  0.9204901859977141  0.6280302391437260  0.5765521632437327
  0.0788785696565881  0.3687281487545775  0.4250896152464989
  0.1295457462356495  0.9227110708963409  0.9190128647374181
  0.8675455216996326  0.0752466468577140  0.0756474781500813
  0.9211119410594364  0.6316301872978229  0.4253673829666340
  0.0794693161133466  0.3716087993308292  0.5762185316245763
  0.8705787181348086  0.9234631634149579  0.9188416522320892
  0.1318470857750285  0.0753144024025971  0.0757085146323462
  0.9192565754253650  0.0775354030186932  0.8667914988353758
  0.0789925209529017  0.9241327701508482  0.1230319614618409
  0.0806631148923387  0.9224393711000900  0.8669130545415840
  0.9209790634009920  0.0760286352964243  0.1229088539806682
  0.9208588488541380  0.9245804749733537  0.1238575057473810
  0.0798914153854255  0.0768333430794002  0.8673325510425656
  0.9200752373021146  0.9231794716131603  0.8673687591252701
  0.0791758602522421  0.0755830030179965  0.1238254357312769
  0.8675602671456417  0.4212150516961586  0.5735437888297525
  0.1270897784535236  0.5796426084382844  0.4230097195245932
  0.5751619072087593  0.3917418910262356  0.9202692852070840
  0.4240780437246414  0.6311958683082324  0.0775934039659987
  0.8727818286118705  0.4203780222175624  0.4228876465600635
  0.1325894918762742  0.5788534942437238  0.5737072424602232
  0.5792073718221218  0.6129656250499309  0.9263977618330799
  0.4263724333560432  0.3689114270891665  0.0807900604100169
  0.8719586252411275  0.5795910077475810  0.4232812801448347
  0.1310054493931219  0.4213495173734856  0.5740941516867792
  0.4241197244932593  0.6079694384179888  0.9214693245193999
  0.5761603011923171  0.3690792810212642  0.0768671732787212
  0.8686278458452250  0.5786304175773793  0.5741551881690441
  0.1282884035623368  0.4205369855190995  0.4232626588451609
  0.4209219114587981  0.3864902411048377  0.9260574058557083
  0.5736782054734704  0.6312933086885479  0.0810026535812938
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