  107
Geometry Step: 0
   Zn      7.60064229      5.33932242      5.36863376     11.22481064
   Zn      5.32555640      7.63560221      5.35061128     11.21999674
   Zn      5.31871598      5.32747038      7.63983218     11.21942707
   Zn      7.60590359      7.64431852      7.65559856     11.21760291
   Zn     18.22647790     20.63040696     20.67101603     11.22995175
   Zn     20.47671064     18.31946632     20.69327158     11.21801059
   Zn     18.16786107     18.33306868     18.39140498     11.22049727
   Zn     20.48384565     20.64731465     18.38439624     11.21764415
    O      6.46937811      6.49435027      6.51314013      6.73159172
    O     19.34870825     19.47295795     19.52304569      6.73287043
    O      7.26080163      5.64938011      3.49092772      6.54721250
    C      7.25529366     18.70892382     13.75488336      4.07914735
    H      7.82963757     18.09873153     14.27513296      0.88454755
    O      5.64818254      7.29123145      3.47963065      6.55000823
    C     18.54008188      7.24969092     13.63517636      4.08022505
    H     17.95209792      7.84439345     14.15534543      0.88623069
    O      5.62581655      5.68214459      9.51958255      6.55041157
    C     18.52374914     18.60874274     12.32812117      4.08108970
    H     17.95193656     18.00507124     11.79847916      0.88542186
    O      7.25588923      7.31291799      9.52187126      6.54773007
    C      7.26989358      7.34591760     12.33302763      4.07864238
    H      7.86537945      7.93690366     11.81881660      0.88629953
    O      3.45394547      7.32368747      5.69901138      6.54913612
    C     13.56627457      7.32207661     18.65258250      4.07980856
    H     14.09130898      7.89776833     18.04809032      0.88517047
    O      3.44926927      5.69309867      7.32591915      6.55043439
    C     13.58514612     18.62724065      7.37141150      4.08003074
    H     14.10581521     18.01122220      7.93970252      0.88516365
    O      9.49442003      5.64139913      5.67294868      6.51534169
    N     12.21158299     18.80850721     18.70266652      5.38891485
    O      9.46191919      7.26908930      7.29835114      6.55129854
    C     12.29009427      7.34633193      7.38012663      4.16390765
    H     11.72933951      7.92692983      7.96534635      0.88125916
    O      5.63923751      3.45398466      7.30371481      6.55001937
    C     18.55129943     13.57783675      7.31851319      4.08034914
    H     17.95741054     14.09885985      7.90551855      0.88615202
    O      7.25850297      3.46078161      5.66802093      6.54579123
    C      7.24655008     13.74316419     18.70924863      4.07892175
    H      7.82657204     14.26177239     18.10476254      0.88437650
    O      5.63328055      9.51634779      5.69759377      6.54954999
    C     18.51247524     12.26877131     18.65523853      4.08079625
    H     17.93752317     11.74113320     18.05271182      0.88526114
    O      7.25977078      9.51340976      7.33119377      6.54828340
    C      7.27891620     12.32348402      7.36813263      4.07876593
    H      7.87806373     11.80857389      7.95558900      0.88618299
    O     18.53402655     20.31352061     22.54457185      6.54889108
    C     18.53648762      7.25125894     12.27687960      4.07932775
    H     17.96276252      7.85970083     11.75456875      0.88460683
    O     20.14407490     18.66503346     22.55871669      6.54759635
    C      7.25183760     18.71029025     12.39650500      4.08088333
    H      7.83851970     18.11574537     11.87392082      0.88641948
    O     18.52465915     18.64781646     16.50483646      6.55436058
    C     18.52313556     18.61664448     13.68875957      4.08127222
    H     17.93171624     18.02430612     14.20482805      0.88895096
    O     20.16308853     20.27071412     16.50737729      6.55285867
    C      7.26861040      7.35332250     13.69468385      4.08005349
    H      7.84007356      7.95366957     14.22795259      0.88490066
    O     20.15600436     16.44160587     20.32412039      6.55226404
    C      7.27996692     13.68511718      7.37567791      4.08008252
    H      7.85472134     14.21646957      7.97467330      0.88484724
    O     18.52127823     16.44450999     18.69821606      6.55264104
    C     18.51413513     13.62940145     18.66333721      4.08051562
    H     17.91894512     14.14624826     18.07468328      0.88826819
    O     18.53579440     22.50547395     20.36341585      6.54843559
    C     18.54521664     12.21963432      7.31976433      4.07957537
    H     17.96592078     11.69898072      7.92264740      0.88467876
    O     20.15281731     22.51535453     18.72133913      6.54746746
    C      7.24059989     12.38487392     18.71023803      4.08083558
    H      7.83319388     11.86145917     18.12337473      0.88624675
    O     16.33821809     18.72551835     18.75533755      6.58831770
    C     13.59636984     18.85749103     18.63055067      3.63626380
    N     13.92670054     17.71578762     18.15781845      5.34613906
    O     16.35842741     20.34528569     20.38918604      6.53049479
    C     13.62516952      7.30342822      7.32009297      4.04350992
    H     14.15503659      7.86627521      7.92663798      0.89004142
    O     22.34446183     18.63320009     20.32954728      6.54932571
    C     12.22732813     18.63802777      7.37653424      4.08012306
    H     11.70058601     18.06200527      7.97931112      0.88513079
    O     22.34920639     20.26645903     18.69966100      6.55025480
    C     12.20846158      7.33294480     18.65761750      4.07998296
    H     11.68619304      7.94724678     18.08887256      0.88493097
    C      6.45755887      6.46874852      2.88847912      3.30180186
    C      6.46272477      6.46556786      1.40392369      4.06613123
    C      6.43797175      6.50074284     10.11310204      3.30067302
    C      6.43449775      6.51049310     11.60340452      4.06783318
    C      2.85729622      6.51530233      6.51720650      3.30100766
    C      1.37493852      6.53015168      6.52600630      4.06710875
    C     10.07892343      6.45889354      6.49570249      3.33129737
    C     11.58826855      6.51715732      6.51904901      3.87741002
    C      6.45109622      2.86126096      6.48460392      3.30216110
    C      6.45382654      1.37622839      6.48140786      4.06591717
    C      6.44450954     10.10841388      6.51807195      3.30125268
    C      6.44355756     11.59851669      6.52821483      4.06769666
    C     19.33598890     19.48813706     23.14775836      3.30247121
    C     19.32745513     19.49304115     24.62897814      4.06691423
    C     19.34510391     19.45510702     15.91264617      3.29761578
    C     19.35489664     19.45332715     14.41884988      4.07004580
    C     19.33833745     15.84854191     19.50676696      3.29835944
    C     19.34578384     14.35479343     19.50453222      4.06928592
    C     19.34253783     23.10599305     19.54122306      3.30285774
    C     19.33638761     24.58766664     19.54604745      4.06708514
    C     15.77733744     19.55327957     19.57740833      3.29426066
    C     14.32259961     19.58081816     19.52222500      4.19846514
    C     22.93857865     19.44349622     19.51045508      3.30028254
    C     24.41973347     19.42993620     19.50299350      4.06742068
    H     13.28676595     17.31022240     17.40489261      0.77164378
    H     14.96447550     17.74932597     17.85143784      0.76822146
  107
Geometry Step: 1
   Zn      7.60079917      5.34105712      5.37027072     11.22498616
   Zn      5.32760223      7.63409174      5.35252412     11.22102636
   Zn      5.32063602      5.32937920      7.63841790     11.22036003
   Zn      7.60447193      7.64251240      7.65376023     11.21738533
   Zn     18.22939427     20.62884816     20.66968945     11.23000156
   Zn     20.47467676     18.32072396     20.69075431     11.21910024
   Zn     18.17331477     18.33401082     18.39258395     11.21983416
   Zn     20.48196549     20.64478396     18.38556831     11.21870499
    O      6.46847331      6.49389677      6.51250852      6.72888460
    O     19.34868854     19.47257034     19.52279530      6.73016511
    O      7.25380945      5.65652537      3.48323678      6.54687322
    C      7.24234437     18.72180494     13.75267817      4.06867543
    H      7.84973651     18.07822657     14.29066887      0.89285062
    O      5.65471657      7.28472790      3.47263146      6.54995042
    C     18.55251093      7.23714869     13.63388505      4.07273755
    H     17.93141477      7.86539021     14.17117668      0.89418797
    O      5.63311246      5.68924564      9.52686987      6.54933092
    C     18.53686228     18.62175328     12.33073616      4.07867364
    H     17.93137763     17.98420973     11.78325978      0.89436441
    O      7.24895639      7.30594669      9.52926896      6.54814769
    C      7.25698857      7.33325800     12.33587728      4.06400497
    H      7.88649748      7.95786832     11.80271285      0.89700757
    O      3.44679412      7.31687163      5.70578682      6.54880760
    C     13.56450672      7.30906526     18.66563746      4.07011275
    H     14.10708483      7.91793618     18.02766000      0.89311759
    O      3.44207858      5.69993393      7.31900975      6.55001501
    C     13.58329585     18.64013605      7.35842493      4.07094728
    H     14.12131389     17.99079151      7.95968913      0.89309027
    O      9.50249694      5.64988252      5.68173969      6.51152976
    N     12.18989609     18.83053552     18.70943825      5.35071915
    O      9.46971305      7.26308767      7.29271073      6.55341583
    C     12.28285105      7.33551809      7.36801565      4.14869322
    H     11.71795575      7.94406168      7.98430623      0.88458531
    O      5.64575934      3.44713023      7.29720244      6.54992767
    C     18.56371192     13.57622228      7.30598922      4.07305535
    H     17.93647150     14.11485798      7.92657976      0.89416600
    O      7.25150017      3.45335360      5.67509781      6.54537034
    C      7.23353007     13.74086442     18.72218300      4.06770202
    H      7.84710228     14.27749181     18.08405266      0.89333729
    O      5.64056682      9.52350931      5.70470630      6.54846832
    C     18.52574384     12.27131788     18.66853120      4.07796918
    H     17.91701587     11.72589949     18.03189402      0.89445080
    O      7.25285735      9.52081390      7.32413078      6.54860345
    C      7.26595666     12.32651328      7.35526627      4.06446808
    H      7.89895101     11.79245801      7.97636529      0.89700924
    O     18.54212011     20.30533664     22.55333240      6.54616052
    C     18.54945337      7.23827393     12.27928743      4.06910530
    H     17.94256386      7.88032646     11.73900004      0.89321471
    O     20.13762144     18.67141578     22.56544349      6.54977842
    C      7.23945050     18.72269501     12.39805481      4.07305959
    H      7.85910655     18.09484974     11.85822404      0.89415279
    O     18.53059672     18.65410859     16.49864512      6.55602066
    C     18.53581532     18.62929931     13.68605210      4.06517014
    H     17.91044190     18.00302616     14.22104058      0.89882744
    O     20.15510083     20.26321499     16.50002495      6.54942991
    C      7.25520883      7.34021983     13.69191624      4.07793655
    H      7.86080888      7.97459536     14.24318334      0.89427836
    O     20.14804053     16.43436711     20.31659277      6.54887004
    C      7.26640839     13.68243016      7.36228343      4.07773801
    H      7.87539836     14.23171159      7.99556078      0.89452719
    O     18.52724895     16.43833236     18.70456772      6.55375824
    C     18.52687669     13.62651835     18.67618787      4.06476787
    H     17.89788752     14.16246930     18.05361203      0.89798737
    O     18.54383300     22.51390952     20.35526620      6.54581823
    C     18.55824714     12.22212654      7.30672372      4.06862491
    H     17.94530269     11.68323118      7.94348197      0.89404127
    O     20.14635516     22.52192871     18.72772149      6.54959906
    C      7.22822176     12.38674113     18.72262848      4.07311681
    H      7.85404067     11.84559549     18.10241982      0.89399519
    O     16.33874803     18.72835575     18.75784243      6.58172651
    C     13.54436456     18.86702345     18.65198920      3.65189123
    N     13.97789959     17.66085408     18.10246831      5.44329915
    O     16.35620000     20.34241844     20.38710468      6.53203540
    C     13.63350016      7.29666438      7.30884803      4.04125884
    H     14.17323026      7.88621901      7.94892648      0.89729437
    O     22.35144422     18.64032493     20.32257839      6.54912881
    C     12.22929453     18.65103172      7.36352233      4.07049226
    H     11.68485334     18.04182018      7.99971197      0.89313416
    O     22.35622285     20.25942665     18.70688452      6.54988198
    C     12.21051144      7.32009012     18.67059771      4.07090738
    H     11.67073376      7.96764989     18.06886583      0.89283034
    C      6.45777356      6.46850414      2.89514338      3.29109976
    C      6.46275601      6.46547103      1.40497688      4.07903707
    C      6.43818300      6.50078336     10.10805139      3.29137315
    C      6.43484173      6.51079207     11.60241120      4.07613646
    C      2.86394227      6.51509733      6.51704950      3.28950210
    C      1.37631655      6.53012865      6.52597363      4.08205454
    C     10.07444187      6.45726261      6.49370547      3.32656223
    C     11.58783950      6.50398462      6.50054376      3.88611125
    C      6.45130579      2.86760550      6.48435929      3.29115822
    C      6.45385611      1.37753606      6.48131044      4.07898860
    C      6.44474487     10.10319636      6.51812006      3.29195042
    C      6.44389534     11.59723636      6.52850896      4.07588736
    C     19.33489465     19.48949835     23.14066396      3.29151865
    C     19.32765910     19.49298508     24.62818636      4.07979844
    C     19.34671662     19.45664538     15.91730267      3.28918743
    C     19.35449152     19.45275104     14.42077116      4.07763610
    C     19.33990606     15.85337445     19.50831776      3.28998736
    C     19.34537572     14.35701097     19.50395578      4.07649871
    C     19.34144819     23.09921870     19.54258770      3.29160411
    C     19.33659551     24.58661192     19.54599986      4.08030458
    C     15.77545914     19.55365115     19.57622707      3.28763227
    C     14.32951722     19.59828678     19.53348245      4.17768156
    C     22.93181195     19.44367038     19.51057288      3.28871857
    C     24.41835233     19.42994503     19.50300630      4.08238765
    H     13.29425598     17.31518074     17.41656737      0.76106138
    H     14.95113835     17.74252081     17.85530435      0.74544852
  107
Geometry Step: 2
   Zn      7.60146563      5.34290991      5.37196129     11.22509933
   Zn      5.32989636      7.63254477      5.35475181     11.22097035
   Zn      5.32274101      5.33164523      7.63702443     11.22021193
   Zn      7.60264676      7.64042822      7.65166238     11.21687519
   Zn     18.23381235     20.62722955     20.66850937     11.22987753
   Zn     20.47223916     18.32197466     20.68752063     11.21928788
   Zn     18.18154061     18.33459585     18.39360645     11.21892280
   Zn     20.47977381     20.64147854     18.38669125     11.21875358
    O      6.46734963      6.49311508      6.51145451      6.72553793
    O     19.34885676     19.47220186     19.52261310      6.72638257
    O      7.24874990      5.66182965      3.47683690      6.54447149
    C      7.22456308     18.73917329     13.76753679      4.07600481
    H      7.87065253     18.05734474     14.30592278      0.90109854
    O      5.65972095      7.27990954      3.46679104      6.54738259
    C     18.57299176      7.21666479     13.65473817      4.06495039
    H     17.91005817      7.88718547     14.18696920      0.90576563
    O      5.63936013      5.69506547      9.53315146      6.54766319
    C     18.55783776     18.64168484     12.30852358      4.06209449
    H     17.91001353     17.96296800     11.76873715      0.90868452
    O      7.24368144      7.30049341      9.53581158      6.54736208
    C      7.25211222      7.32862615     12.33083035      4.07856414
    H      7.90849830      7.97968539     11.78727566      0.90036795
    O      3.44090360      7.31173724      5.71074179      6.54510565
    C     13.58397316      7.28698192     18.68704829      4.07157595
    H     14.12263288      7.93891774     18.00682054      0.90540769
    O      3.43611017      5.70492278      7.31374740      6.54610618
    C     13.60319427     18.66168618      7.33570904      4.07100942
    H     14.13659039     17.97004092      7.98059849      0.90587849
    O      9.50922358      5.65682221      5.68926662      6.51080670
    N     12.16076417     18.85368526     18.71535487      5.33703200
    O      9.47871609      7.25790094      7.28822433      6.55641056
    C     12.27222026      7.32373189      7.35392398      4.16251763
    H     11.70674741      7.96313180      8.00634573      0.88893374
    O      5.65079642      3.44138635      7.29226348      6.54731045
    C     18.58452324     13.59757346      7.28499849      4.06439094
    H     17.91488676     14.13071125      7.94846230      0.90622315
    O      7.24637558      3.44721830      5.68039210      6.54274129
    C      7.21626568     13.75655205     18.73889732      4.07575910
    H      7.86853991     14.29272675     18.06285643      0.90229801
    O      5.64679984      9.52959048      5.71053073      6.54684618
    C     18.54609342     12.24929965     18.68819830      4.06222531
    H     17.89578681     11.71139676     18.01070746      0.90845433
    O      7.24762987      9.52730838      7.31855652      6.54773891
    C      7.26109590     12.32155445      7.35027413      4.07832872
    H      7.92055563     11.77700744      7.99800472      0.90043674
    O     18.54838685     20.29920008     22.56091349      6.54128131
    C     18.56725745      7.22070997     12.26468860      4.07671711
    H     17.92157168      7.90133152     11.72381794      0.90154745
    O     20.13264249     18.67616121     22.57089411      6.54914100
    C      7.21888191     18.74306617     12.37754095      4.06533723
    H      7.88040929     18.07313433     11.84263590      0.90568870
    O     18.53568244     18.65980747     16.49271840      6.55611466
    C     18.54037206     18.63381182     13.69154275      4.07972794
    H     17.88816830     17.98081269     14.23654845      0.90236190
    O     20.14846601     20.25736767     16.49392621      6.54621084
    C      7.23385982      7.32021469     13.71422508      4.06175887
    H      7.88234487      7.99589731     14.25754924      0.90882162
    O     20.14146303     16.42845184     20.31071883      6.54570890
    C      7.24568698     13.70456288      7.34251975      4.06207632
    H      7.89678572     14.24605224      8.01682454      0.90878204
    O     18.53241046     16.43247125     18.71032011      6.55389504
    C     18.53141610     13.63194412     18.68103875      4.07854291
    H     17.87599021     14.17798247     18.03161117      0.90160194
    O     18.55003813     22.52112874     20.34905725      6.54060766
    C     18.57552632     12.20669490      7.28981177      4.07695216
    H     17.92380187     11.66806701      7.96481493      0.90305839
    O     20.14129803     22.52726979     18.73257117      6.54887077
    C      7.20731273     12.36571627     18.74350681      4.06469233
    H      7.87557856     11.82994660     18.08062932      0.90600242
    O     16.33970561     18.73298879     18.76188660      6.57757134
    C     13.50492724     18.83566136     18.66718864      3.66126734
    N     14.00676452     17.64221929     18.06346660      5.46454495
    O     16.35496560     20.33977042     20.38590527      6.53357086
    C     13.65504363      7.29275433      7.29909868      4.03281349
    H     14.19361047      7.90908996      7.97463362      0.90219373
    O     22.35707006     18.64586492     20.31736472      6.54530821
    C     12.21004506     18.67315753      7.34207685      4.07195916
    H     11.66941423     18.02082022      8.02054235      0.90550656
    O     22.36191777     20.25417291     18.71255912      6.54588426
    C     12.19082234      7.29850532     18.69335285      4.07107374
    H     11.65556192      7.98838952     18.04793987      0.90570562
    C      6.45736730      6.46889210      2.89528129      3.29269866
    C      6.45842188      6.46938158      1.38928242      4.06434623
    C      6.43759895      6.50005653     10.10902246      3.29094195
    C      6.41821674      6.49435198     11.60909052      4.06348310
    C      2.86378411      6.51488999      6.51692259      3.29410855
    C      1.35630463      6.52969443      6.52659921      4.05989651
    C     10.07475959      6.45564136      6.49072696      3.32424168
    C     11.58473190      6.48967619      6.47761742      3.87907652
    C      6.45097489      2.86745690      6.48463893      3.29282253
    C      6.44862307      1.36081275      6.48627791      4.06386087
    C      6.44419509     10.10390463      6.51738643      3.29121286
    C      6.42800594     11.60318674      6.51270042      4.06358053
    C     19.33477239     19.48992948     23.14038185      3.29300454
    C     19.33229830     19.48893304     24.64429624      4.06496186
    C     19.34823341     19.45802329     15.91661225      3.28887038
    C     19.37107795     19.46877807     14.41505299      4.06477825
    C     19.34132828     15.85298275     19.50972995      3.28936061
    C     19.36121498     14.35201977     19.51934596      4.06436167
    C     19.34126071     23.09922006     19.54315210      3.29316178
    C     19.34213819     24.60372345     19.54090101      4.06477468
    C     15.77537859     19.55361399     19.57336918      3.28559423
    C     14.31726207     19.61956003     19.54493882      4.17328528
    C     22.93183213     19.44385473     19.51066584      3.29323933
    C     24.43850012     19.43035870     19.50234683      4.06038772
    H     13.30407347     17.31635307     17.42421640      0.75507512
    H     14.94964076     17.73265036     17.85214068      0.73610975
  107
Geometry Step: 3
   Zn      7.60238694      5.34347199      5.37240734     11.22404608
   Zn      5.33073851      7.63219258      5.35560784     11.21968515
   Zn      5.32346977      5.33256456      7.63677498     11.21893657
   Zn      7.60208652      7.63962160      7.65088613     11.21552016
   Zn     18.23640312     20.62687629     20.66849146     11.22879403
   Zn     20.47124514     18.32220164     20.68602113     11.21820541
   Zn     18.18659579     18.33429552     18.39360460     11.21795313
   Zn     20.47893079     20.63989299     18.38683246     11.21760616
    O      6.46674583      6.49254560      6.51072174      6.72410495
    O     19.34916758     19.47210983     19.52262091      6.72409328
    O      7.24956387      5.66117029      3.47640250      6.54765235
    C      7.22186688     18.74155609     13.77687702      4.06923282
    H      7.87600263     18.05251544     14.30936849      0.89934253
    O      5.65911032      7.28074608      3.46655650      6.54949702
    C     18.57040369      7.21972260     13.66126736      4.07278057
    H     17.90475112      7.89278369     14.19071987      0.89964755
    O      5.63910924      5.69444555      9.53292657      6.54993294
    C     18.55223043     18.63500776     12.29996011      4.07048039
    H     17.90417084     17.95766739     11.76564672      0.90204660
    O      7.24426455      7.30091553      9.53685188      6.55170917
    C      7.25750650      7.33411920     12.32677557      4.07257191
    H      7.91518475      7.98626798     11.78369780      0.89669093
    O      3.44049451      7.31219688      5.71009663      6.54887189
    C     13.58998808      7.28916146     18.68435978      4.07057708
    H     14.12595931      7.94414783     18.00209917      0.89991211
    O      3.43568019      5.70422508      7.31416286      6.54967351
    C     13.60897722     18.65846669      7.33782637      4.07112570
    H     14.13982856     17.96547933      7.98592343      0.90015348
    O      9.50822782      5.65547661      5.68845229      6.51265986
    N     12.15177539     18.85192602     18.70698792      5.36668089
    O      9.48170727      7.25805361      7.28898863      6.55955784
    C     12.26952346      7.32137447      7.35005849      4.15829403
    H     11.70469054      7.96889842      8.01405625      0.89245212
    O      5.65027108      3.44109207      7.29291534      6.54955616
    C     18.58119255     13.60385956      7.28833562      4.07287224
    H     17.90953595     14.13436337      7.95410998      0.89963862
    O      7.24710282      3.44678793      5.67980975      6.54594965
    C      7.21434622     13.76679619     18.74033563      4.06881385
    H      7.87425088     14.29601380     18.05768859      0.90042103
    O      5.64653081      9.52924321      5.70989759      6.54905740
    C     18.54053548     12.24034223     18.68180253      4.07013374
    H     17.89002785     11.70830333     18.00537655      0.90206208
    O      7.24828606      9.52824126      7.31894203      6.55191477
    C      7.26660519     12.31750778      7.35555749      4.07290311
    H      7.92697996     11.77342298      8.00456125      0.89672666
    O     18.54781507     20.30008549     22.56160841      6.54500336
    C     18.56995047      7.21821100     12.25552363      4.06984746
    H     17.91622654      7.90619273     11.72050369      0.89986709
    O     20.13317724     18.67537749     22.57089147      6.55091687
    C      7.22144573     18.73991016     12.37124908      4.07315163
    H      7.88573974     18.06754013     11.83902837      0.89964921
    O     18.53569948     18.66026850     16.49137085      6.55949228
    C     18.53480040     18.62819710     13.69599558      4.07406245
    H     17.88126453     17.97401682     14.24013042      0.89941015
    O     20.14894922     20.25837604     16.49449771      6.54939526
    C      7.23916824      7.32669633     13.72329939      4.06964353
    H      7.88824246      8.00123417     14.26043703      0.90209655
    O     20.14199197     16.42913575     20.31172662      6.54874033
    C      7.25095375     13.71403572      7.34870585      4.06953485
    H      7.90258942     14.24894029      8.02220650      0.90225468
    O     18.53243865     16.43123047     18.71075582      6.55743307
    C     18.52572583     13.63640124     18.67561944      4.07372968
    H     17.86933379     14.18156779     18.02486048      0.89881045
    O     18.54946268     22.52175643     20.34978597      6.54418852
    C     18.57743846     12.19662305      7.28825634      4.06971795
    H     17.91809982     11.66490714      7.97002586      0.90116122
    O     20.14171593     22.52732026     18.73196349      6.55081638
    C      7.21061659     12.35965647     18.74006866      4.07313151
    H      7.88095701     11.82643752     18.07499501      0.89953616
    O     16.34074655     18.73518589     18.76373016      6.58082784
    C     13.50595711     18.79968151     18.67160701      3.64469188
    N     13.99281688     17.66395358     18.06638408      5.42835393
    O     16.35592017     20.33928947     20.38649954      6.53509406
    C     13.66346163      7.29992753      7.30365471      4.03295216
    H     14.20131734      7.91771723      7.98428276      0.89781131
    O     22.35725761     18.64556762     20.31792424      6.54900573
    C     12.20414049     18.67099035      7.34472863      4.07086056
    H     11.66619250     18.01558732      8.02528198      0.90002335
    O     22.36212127     20.25478469     18.71230578      6.54947275
    C     12.18514902      7.30169667     18.69123590      4.07116018
    H     11.65242605      7.99296589     18.04261687      0.90006193
    C      6.45695835      6.46932762      2.88846592      3.29048425
    C      6.46267405      6.46422480      1.38725212      4.06921700
    C      6.43683334      6.49923095     10.11529282      3.28811179
    C      6.41689409      6.49311936     11.60447872      4.06783083
    C      2.85693470      6.51482833      6.51688111      3.28913542
    C      1.35725746      6.52974941      6.52630624      4.07098158
    C     10.08013074      6.45611017      6.48938373      3.32012992
    C     11.57638933      6.49295255      6.47586950      3.87910156
    C      6.45067211      2.86057318      6.48491944      3.29044903
    C      6.45281546      1.35795453      6.48158271      4.06926709
    C      6.44343693     10.11000967      6.51653545      3.28859955
    C      6.42657793     11.59864073      6.51135177      4.06739297
    C     19.33565437     19.48914721     23.14763269      3.29080561
    C     19.32809848     19.49411223     24.64648111      4.07015600
    C     19.34847406     19.45821327     15.91089740      3.28565008
    C     19.37250125     19.46989037     14.41978236      4.06984400
    C     19.34154211     15.84744103     19.50997393      3.28637855
    C     19.36272817     14.35669656     19.52057337      4.06894522
    C     19.34202974     23.10651269     19.54255767      3.29076250
    C     19.33800004     24.60671866     19.54563137      4.07047961
    C     15.77445096     19.55433379     19.57168408      3.28610986
    C     14.30145312     19.62067914     19.54049364      4.19038453
    C     22.93872926     19.44391387     19.51070692      3.28827727
    C     24.43761793     19.43027612     19.50261576      4.07164781
    H     13.30824761     17.31212128     17.42135913      0.75703698
    H     14.96332109     17.72746814     17.84415129      0.74037712
  107
Geometry Step: 4
   Zn      7.60363027      5.34379034      5.37261048     11.22281938
   Zn      5.33137568      7.63200471      5.35624622     11.21847012
   Zn      5.32401126      5.33327582      7.63669893     11.21763732
   Zn      7.60217407      7.63890557      7.65025365     11.21493889
   Zn     18.23864465     20.62692939     20.66885928     11.22672142
   Zn     20.47056753     18.32227455     20.68486728     11.21705662
   Zn     18.19145795     18.33389135     18.39339638     11.21699370
   Zn     20.47836252     20.63865578     18.38679024     11.21640402
    O      6.46616967      6.49202180      6.51005438      6.72332807
    O     19.34957349     19.47194531     19.52256060      6.72255116
    O      7.25040802      5.66047341      3.47549033      6.54828375
    C      7.22263005     18.74110634     13.77083331      4.06928989
    H      7.87672765     18.05257857     14.31041448      0.89934155
    O      5.65806442      7.28206081      3.46583013      6.55139203
    C     18.57183141      7.21929767     13.65661204      4.06836849
    H     17.90368973      7.89427692     14.19241558      0.90144120
    O      5.63742443      5.69236251      9.53141757      6.55045267
    C     18.54951344     18.63106612     12.30039482      4.06852787
    H     17.90119740     17.95532461     11.76321829      0.90127938
    O      7.24525881      7.30178927      9.53837588      6.55238963
    C      7.25867963      7.33552907     12.33414292      4.07168407
    H      7.91937504      7.99032970     11.78182209      0.89798116
    O      3.43958759      7.31301272      5.70911250      6.54987385
    C     13.58525268      7.28893223     18.68463558      4.06946373
    H     14.12709961      7.94530140     18.00163169      0.90098747
    O      3.43481487      5.70313353      7.31497361      6.55067331
    C     13.60478962     18.65872698      7.33698566      4.06896069
    H     14.14092173     17.96519353      7.98723268      0.90149307
    O      9.50548572      5.65222127      5.68594864      6.51373183
    N     12.14353907     18.84895665     18.70191001      5.36466356
    O      9.48345126      7.25930752      7.29105187      6.55884388
    C     12.27427245      7.32423036      7.35174466      4.15684892
    H     11.70599697      7.96957448      8.01657735      0.89174960
    O      5.64932447      3.44025706      7.29401516      6.55142680
    C     18.58243827     13.59859449      7.28771850      4.06791511
    H     17.90837327     14.13600928      7.95569393      0.90171153
    O      7.24792283      3.44576126      5.67913411      6.54648087
    C      7.21552691     13.76115768     18.73914464      4.06935836
    H      7.87565186     14.29707980     18.05703881      0.90063547
    O      5.64483166      9.52764704      5.70781265      6.54960564
    C     18.53716145     12.24110746     18.67756569      4.06865533
    H     17.88707088     11.70583272     18.00292446      0.90096254
    O      7.24937187      9.52961469      7.31978659      6.55268055
    C      7.26807236     12.32498654      7.35692058      4.07138191
    H      7.93093116     11.77153528      8.00865264      0.89801567
    O     18.54702902     20.30126228     22.56260553      6.54653051
    C     18.56914088      7.21859767     12.26176230      4.06981416
    H     17.91553762      7.90612830     11.71963822      0.89986659
    O     20.13417317     18.67408269     22.57132952      6.55212343
    C      7.21999169     18.74023344     12.37609904      4.06875599
    H      7.88683331     18.06603904     11.83749575      0.90149070
    O     18.53457121     18.65960258     16.49000526      6.55991928
    C     18.53347221     18.62668385     13.68889661      4.07291631
    H     17.87680684     17.96971494     14.24206178      0.90067095
    O     20.15071279     20.26066019     16.49627072      6.54979626
    C      7.24174287      7.33056978     13.72337043      4.06782739
    H      7.89124029      8.00360885     14.26268299      0.90130883
    O     20.14375901     16.43098550     20.31399425      6.54906769
    C      7.25418597     13.71378712      7.35286044      4.06816147
    H      7.90556053     14.25122554      8.02470112      0.90113151
    O     18.53125423     16.42999223     18.71004980      6.55808172
    C     18.52410531     13.62918594     18.67414824      4.07199202
    H     17.86509373     14.18351585     18.02053311      0.90010833
    O     18.54861200     22.52278131     20.35086557      6.54563605
    C     18.57620991     12.20244037      7.28938563      4.07015206
    H     17.91673612     11.66401648      7.97068029      0.90136442
    O     20.14260236     22.52786417     18.73088462      6.55200633
    C      7.20933864     12.36510421     18.74059002      4.06820993
    H      7.88215583     11.82495205     18.07340868      0.90166544
    O     16.34245950     18.73498167     18.76334258      6.58644709
    C     13.50003570     18.79249745     18.68995982      3.63891086
    N     13.98915431     17.67211714     18.06309806      5.42909964
    O     16.35663083     20.33870502     20.38685912      6.53413320
    C     13.66124873      7.30319968      7.30446606      4.03351687
    H     14.20746009      7.92318346      7.98981116      0.89779194
    O     22.35787016     18.64481151     20.31893519      6.55012659
    C     12.20895996     18.67119745      7.34443905      4.06973968
    H     11.66518041     18.01444353      8.02576378      0.90110880
    O     22.36269773     20.25590830     18.71154969      6.55061804
    C     12.18942621      7.30142398     18.69204985      4.06901054
    H     11.65145489      7.99326653     18.04131863      0.90142687
    C      6.45722215      6.46911606      2.88190343      3.29158032
    C      6.46024446      6.46467551      1.38213304      4.06940819
    C      6.43594261      6.49820981     10.11968156      3.29007986
    C      6.41487896      6.49140929     11.60882786      4.06740612
    C      2.85010738      6.51473559      6.51684856      3.29107869
    C      1.35031659      6.52895357      6.52623632      4.06936326
    C     10.08392647      6.45741786      6.48759665      3.32152889
    C     11.57698748      6.49376316      6.47113064      3.88026997
    C      6.45095649      2.85370974      6.48463385      3.29170536
    C      6.44987057      1.35151000      6.48299001      4.06924932
    C      6.44259470     10.11416476      6.51551780      3.29039090
    C      6.42510005     11.60254202      6.51004584      4.06746249
    C     19.33608610     19.48881873     23.15484227      3.29199349
    C     19.33062672     19.49361712     24.65176010      4.07032145
    C     19.34969706     19.45947858     15.90643287      3.28792116
    C     19.37446913     19.47131430     14.41578239      4.06918163
    C     19.34279510     15.84314918     19.51128936      3.28846599
    C     19.36414530     14.35317781     19.52160695      4.06882900
    C     19.34238944     23.11396080     19.54232181      3.29210285
    C     19.34104650     24.61331232     19.54420420      4.07042137
    C     15.76643247     19.55800675     19.57230074      3.28731122
    C     14.29165546     19.61791878     19.53620475      4.19167322
    C     22.94577639     19.44400050     19.51074907      3.29026401
    C     24.44458192     19.43104525     19.50265675      4.07002572
    H     13.31004594     17.30611089     17.41641355      0.75777190
    H     14.97219251     17.72283004     17.83844060      0.74019405
  107
Geometry Step: 5
   Zn      7.60659276      5.34457036      5.37311689     11.22041770
   Zn      5.33308360      7.63110510      5.35794502     11.21597567
   Zn      5.32548314      5.33516041      7.63611131     11.21494625
   Zn      7.60222047      7.63686238      7.64849290     11.21439051
   Zn     18.24498961     20.62699571     20.66977221     11.22214380
   Zn     20.46870400     18.32286007     20.68170027     11.21486211
   Zn     18.20480125     18.33285395     18.39285905     11.21488022
   Zn     20.47677329     20.63527434     18.38704537     11.21407844
    O      6.46477856      6.49064363      6.50828295      6.72054064
    O     19.35086810     19.47161944     19.52251345      6.71785386
    O      7.25060280      5.66074151      3.47012942      6.55019121
    C      7.22104253     18.74403924     13.76605296      4.06477259
    H      7.87819263     18.05347605     14.31263682      0.90178596
    O      5.65772981      7.28315647      3.46088869      6.55374545
    C     18.57344897      7.22077719     13.65174570      4.07018759
    H     17.90196532      7.89734287     14.19600301      0.90306177
    O      5.63538749      5.68921231      9.53009408      6.55137628
    C     18.54230064     18.62054351     12.29795835      4.06805773
    H     17.89260416     17.94848695     11.75599092      0.89819475
    O      7.24556325      7.30175455      9.54481026      6.55380391
    C      7.26191056      7.33946204     12.34535354      4.06815884
    H      7.92930438      7.99993855     11.77822141      0.89963801
    O      3.43402922      7.31283238      5.70887567      6.55266939
    C     13.57937942      7.28993344     18.68427770      4.06603733
    H     14.12943629      7.94777945     18.00124176      0.90192654
    O      3.42942173      5.70258311      7.31479255      6.55322984
    C     13.59898753     18.65668462      7.33784922      4.06840957
    H     14.14315858     17.96531210      7.99019060      0.90170683
    O      9.50154845      5.64741161      5.68321845      6.51507898
    N     12.11765662     18.84736349     18.69636534      5.34737235
    O      9.49042287      7.26024677      7.29423217      6.55677247
    C     12.28203474      7.32958310      7.35365540      4.17524831
    H     11.70983153      7.97143634      8.02356521      0.89011853
    O      5.64923387      3.43498823      7.29453699      6.55410317
    C     18.58195517     13.59083062      7.29022310      4.07090632
    H     17.90642201     14.13934080      7.95890479      0.90252898
    O      7.24801443      3.43992182      5.67945566      6.54847028
    C      7.21515376     13.75813355     18.73974706      4.06300336
    H      7.87911901     14.29936686     18.05582349      0.90362375
    O      5.64273577      9.52605910      5.70464980      6.55039209
    C     18.52995024     12.23797048     18.66811568      4.06694318
    H     17.87843967     11.69840960     17.99569322      0.89848707
    O      7.25000410      9.53554226      7.31970472      6.55384132
    C      7.27201235     12.33635314      7.36061874      4.06952624
    H      7.94025564     11.76785575      8.01844481      0.89961325
    O     18.54756965     20.30171610     22.56874521      6.54870594
    C     18.57063774      7.21544008     12.26706531      4.06518422
    H     17.91417670      7.90522484     11.71794573      0.90210070
    O     20.13447047     18.67296113     22.57549656      6.55393237
    C      7.21831952     18.73845091     12.38153940      4.07070316
    H      7.88865418     18.06294414     11.83439327      0.90323128
    O     18.53423495     18.66045230     16.48363312      6.56070429
    C     18.52976206     18.62238979     13.67865367      4.06911421
    H     17.86610851     17.95944476     14.24583339      0.90258506
    O     20.15298587     20.26438637     16.49823261      6.55047427
    C      7.24851095      7.34083071     13.72692882      4.06735727
    H      7.89992813      8.01057323     14.26947373      0.89820326
    O     20.14608687     16.43320204     20.31771399      6.54945198
    C      7.26095965     13.71805878      7.36202682      4.06645912
    H      7.91425692     14.25820405      8.03208600      0.89860770
    O     18.53074119     16.42399467     18.71080136      6.55878068
    C     18.51968592     13.61879714     18.67007720      4.07003261
    H     17.85494565     14.18737591     18.01009199      0.90207865
    O     18.54896599     22.52911559     20.35106966      6.54807961
    C     18.57648609     12.20594467      7.28856973      4.06357777
    H     17.91337368     11.66224212      7.97190699      0.90411598
    O     20.14261736     22.53235308     18.73035514      6.55411956
    C      7.20976232     12.37341056     18.73779461      4.07132869
    H      7.88421276     11.82209767     18.07018479      0.90263448
    O     16.34377006     18.73774094     18.76535859      6.59557581
    C     13.47869621     18.77023226     18.73371004      3.63790136
    N     13.98783382     17.69081264     18.04970120      5.42997823
    O     16.35547940     20.33622813     20.38660885      6.53504901
    C     13.66230585      7.30960248      7.30413446      4.03031410
    H     14.22355372      7.93669793      8.00278387      0.90015303
    O     22.36277097     18.64526874     20.31915091      6.55311136
    C     12.21506188     18.67013921      7.34474670      4.06627971
    H     11.66321287     18.01198914      8.02620267      0.90208615
    O     22.36745812     20.25644202     18.71200478      6.55341091
    C     12.19546718      7.30342456     18.69111140      4.06847990
    H     11.64957002      7.99319866     18.03838801      0.90172354
    C      6.45732147      6.46903395      2.86775157      3.29529798
    C      6.45892126      6.45973921      1.36464573      4.06363493
    C      6.43365059      6.49551233     10.12827516      3.29253318
    C      6.41182076      6.48904536     11.62065588      4.06839099
    C      2.83525877      6.51439980      6.51667764      3.29290870
    C      1.33321402      6.52788955      6.52393827      4.06841449
    C     10.08909125      6.46007285      6.48109795      3.32713337
    C     11.58272816      6.49268165      6.45475053      3.87377355
    C      6.45119157      2.83850319      6.48429270      3.29490983
    C      6.44879362      1.33156319      6.47930644      4.06510218
    C      6.44044700     10.12217601      6.51284109      3.29343620
    C      6.42175621     11.61458859      6.50698254      4.06721013
    C     19.33720760     19.48815720     23.17022107      3.29595872
    C     19.33225239     19.49839720     24.66980774      4.06429432
    C     19.35259821     19.46261581     15.89794582      3.29078006
    C     19.37750594     19.47299447     14.40487075      4.07012868
    C     19.34570148     15.83511070     19.51446535      3.29192218
    C     19.36743141     14.34210887     19.52401869      4.06856415
    C     19.34325497     23.13024991     19.54192578      3.29552264
    C     19.34242144     24.63375016     19.54780864      4.06604482
    C     15.74795829     19.56469374     19.57107231      3.28960918
    C     14.26760595     19.61916356     19.53536131      4.18698611
    C     22.96097494     19.44433495     19.51094045      3.29216290
    C     24.46177917     19.43202540     19.50487714      4.06920679
    H     13.31548312     17.29057303     17.40398470      0.75952371
    H     14.98964188     17.71019870     17.82503358      0.73785180
  107
Geometry Step: 6
   Zn      7.60782880      5.34473998      5.37320006     11.21967546
   Zn      5.33383688      7.63022217      5.35872381     11.21505420
   Zn      5.32613916      5.33602304      7.63542471     11.21386023
   Zn      7.60224737      7.63570107      7.64758916     11.21413264
   Zn     18.24868510     20.62714838     20.67038460     11.22069841
   Zn     20.46784586     18.32356132     20.68005333     11.21418709
   Zn     18.21241889     18.33220986     18.39243662     11.21397872
   Zn     20.47603572     20.63352563     18.38752893     11.21325937
    O      6.46419652      6.48989030      6.50729470      6.71870394
    O     19.35181217     19.47157115     19.52262342      6.71478770
    O      7.24905973      5.66263216      3.46451213      6.55243716
    C      7.22444666     18.74144920     13.76670514      4.06961083
    H      7.87814061     18.05516555     14.31315811      0.89811772
    O      5.65959106      7.28179493      3.45532936      6.55524761
    C     18.57200159      7.22431491     13.65580618      4.06730234
    H     17.90228443      7.89799157     14.19710157      0.90098817
    O      5.63625694      5.68939059      9.53179645      6.55129154
    C     18.54086553     18.61720999     12.29203333      4.06781509
    H     17.88734932     17.94428500     11.75115197      0.89793141
    O      7.24382335      7.29981719      9.55030589      6.55428394
    C      7.26413419      7.34217614     12.34426767      4.07050872
    H      7.93318323      8.00366340     11.77789581      0.89879865
    O      3.42816730      7.31096403      5.71053522      6.55393286
    C     13.58187348      7.29215585     18.68292483      4.06882867
    H     14.13006933      7.94847153     18.00200024      0.90044857
    O      3.42365798      5.70405462      7.31291546      6.55442474
    C     13.60260972     18.65537991      7.33887922      4.06890532
    H     14.14384053     17.96630005      7.99128614      0.90085682
    O      9.50209295      5.64783398      5.68483656      6.51260844
    N     12.10937213     18.84122857     18.69021711      5.35380147
    O      9.49600257      7.25865935      7.29394029      6.55884787
    C     12.28155527      7.33120654      7.35305879      4.16017648
    H     11.71258769      7.97214827      8.02728441      0.89088658
    O      5.65119213      3.42917158      7.29285800      6.55576719
    C     18.58044834     13.59430564      7.29318046      4.06697791
    H     17.90656340     14.14022090      7.95959180      0.90096542
    O      7.24643169      3.43383806      5.68130900      6.55052945
    C      7.21933822     13.76028634     18.73565096      4.06938665
    H      7.88049698     14.29997652     18.05600663      0.89984607
    O      5.64359931      9.52759526      5.70486183      6.55042411
    C     18.52740899     12.23256644     18.66443367      4.06767619
    H     17.87317133     11.69345923     17.99126994      0.89762501
    O      7.24847223      9.54070205      7.31770332      6.55446914
    C      7.27459033     12.33516083      7.36313574      4.07064439
    H      7.94381328     11.76744567      8.02236898      0.89876992
    O     18.55001846     20.29980849     22.57523205      6.54995204
    C     18.56721394      7.21786692     12.26673857      4.07012907
    H     17.91429916      7.90352184     11.71778172      0.89851494
    O     20.13266925     18.67425339     22.58064054      6.55612006
    C      7.21975961     18.73470656     12.37785695      4.06772288
    H      7.88840268     18.06226397     11.83362297      0.90107016
    O     18.53617090     18.66301404     16.47788368      6.56023664
    C     18.52722111     18.61939201     13.68046355      4.07149657
    H     17.86172334     17.95531559     14.24630232      0.90157874
    O     20.15225533     20.26453779     16.49679538      6.55046590
    C      7.24967202      7.34397623     13.73327338      4.06717826
    H      7.90525156      8.01487769     14.27412246      0.89798418
    O     20.14537701     16.43193716     20.31784412      6.54957951
    C      7.26322429     13.72389520      7.36550537      4.06716695
    H      7.91957564     14.26295918      8.03662681      0.89776961
    O     18.53259986     16.41843737     18.71336979      6.55843244
    C     18.51678350     13.62073945     18.66727213      4.07122956
    H     17.85085353     14.18793232     18.00577058      0.90114433
    O     18.55123933     22.53585932     20.34908114      6.54928986
    C     18.57227434     12.20409234      7.29251902      4.07005872
    H     17.91206219     11.66197543      7.97172301      0.90038548
    O     20.14069024     22.53774915     18.73198742      6.55642099
    C      7.21124884     12.37027643     18.73465223      4.06735716
    H      7.88414260     11.82153942     18.06947658      0.90100994
    O     16.34138162     18.74201412     18.76888095      6.59683065
    C     13.46402871     18.75382310     18.75071864      3.63042023
    N     13.99233957     17.69949921     18.03874373      5.43485679
    O     16.35169155     20.33406035     20.38527099      6.54129635
    C     13.66280883      7.31929023      7.31045913      4.03326620
    H     14.23162944      7.94263714      8.00743411      0.89680364
    O     22.36838700     18.64738623     20.31741142      6.55442521
    C     12.21269991     18.66788599      7.34605738      4.06908183
    H     11.66281637     18.01130559      8.02548443      0.90059331
    O     22.37299841     20.25488791     18.71413582      6.55467430
    C     12.19197252      7.30468790     18.69004452      4.06902705
    H     11.64911368      7.99225214     18.03730301      0.90089100
    C      6.45669000      6.46947098      2.86272425      3.29269460
    C      6.45541811      6.45920480      1.35877791      4.06754077
    C      6.43248179      6.49405954     10.13094825      3.29261757
    C      6.40961108      6.48711615     11.62841844      4.06734857
    C      2.82946258      6.51404129      6.51652495      3.29239653
    C      1.32395661      6.52566281      6.52324665      4.06716414
    C     10.08760693      6.46177015      6.47657272      3.32298956
    C     11.58077732      6.49962303      6.45360934      3.88301766
    C      6.45066706      2.83250589      6.48457937      3.29282207
    C      6.44425856      1.32332778      6.48075959      4.06799883
    C      6.43942863     10.12448779      6.51145959      3.29315879
    C      6.42054732     11.62156376      6.50570021      4.06707888
    C     19.33801571     19.48785812     23.17550360      3.29342526
    C     19.33597007     19.49878214     24.67609546      4.06816936
    C     19.35394899     19.46422983     15.89555514      3.29106796
    C     19.37977716     19.47459395     14.39763719      4.06885867
    C     19.34694910     15.83303329     19.51597993      3.29185039
    C     19.36869604     14.33564148     19.52500286      4.06830762
    C     19.34389386     23.13644159     19.54174947      3.29348090
    C     19.34717693     24.64233795     19.54624394      4.06885676
    C     15.74106700     19.56564010     19.56803230      3.28466349
    C     14.26218062     19.61946086     19.53684755      4.19409817
    C     22.96676035     19.44470652     19.51110604      3.29168282
    C     24.47111964     19.43420105     19.50551589      4.06793098
    H     13.31973854     17.28246588     17.39803916      0.76016006
    H     14.99387133     17.70328515     17.81930436      0.73668887
  107
Geometry Step: 7
   Zn      7.60765774      5.34374956      5.37233012     11.21964302
   Zn      5.33318303      7.62970889      5.35817018     11.21488557
   Zn      5.32554125      5.33546041      7.63498956     11.21360322
   Zn      7.60266334      7.63573493      7.64789716     11.21393879
   Zn     18.24908614     20.62795735     20.67127715     11.22081364
   Zn     20.46847679     18.32404106     20.68041460     11.21408986
   Zn     18.21400407     18.33164535     18.39178727     11.21370288
   Zn     20.47661712     20.63388624     18.38790616     11.21307719
    O      6.46442932      6.48973148      6.50706687      6.71843589
    O     19.35245079     19.47173090     19.52281115      6.71421403
    O      7.24874560      5.66319928      3.46161874      6.55340017
    C      7.22507448     18.74096733     13.76754439      4.06875105
    H      7.87646429     18.05775563     14.31277669      0.89743701
    O      5.66011566      7.28160723      3.45230867      6.55579988
    C     18.57007914      7.22679055     13.65657659      4.06982678
    H     17.90416545      7.89671236     14.19681076      0.89903712
    O      5.63694441      5.68973093      9.53355825      6.55172974
    C     18.54104116     18.61681630     12.29296240      4.06748430
    H     17.88667083     17.94403910     11.74922513      0.89887763
    O      7.24291953      7.29883221      9.55240077      6.55486422
    C      7.26534849      7.34374345     12.34240884      4.07165745
    H      7.93133915      8.00179639     11.78026134      0.89741856
    O      3.42488464      7.31048325      5.71096007      6.55476875
    C     13.58207387      7.29466972     18.68111345      4.07100109
    H     14.12958650      7.94731125     18.00395221      0.89873425
    O      3.42042816      5.70435149      7.31245354      6.55529021
    C     13.60378422     18.65395360      7.34049089      4.06847299
    H     14.14354109     17.96822941      7.99044545      0.89977468
    O      9.50279811      5.64859100      5.68589149      6.51284103
    N     12.10881592     18.83882260     18.69367988      5.35782479
    O      9.49681086      7.25804268      7.29366165      6.55893269
    C     12.27864289      7.33146654      7.35212741      4.16200590
    H     11.71469525      7.97075576      8.02683683      0.89122878
    O      5.65175961      3.42585546      7.29247316      6.55631161
    C     18.57904910     13.59497233      7.29500895      4.06845019
    H     17.90834354     14.13972744      7.95818437      0.89964391
    O      7.24610841      3.43033094      5.68180349      6.55147847
    C      7.22011021     13.76201580     18.73443956      4.07012127
    H      7.87976806     14.29980895     18.05759736      0.89895155
    O      5.64433830      9.52929721      5.70528539      6.55102646
    C     18.52656220     12.23435847     18.66346725      4.06849013
    H     17.87249158     11.69148411     17.99095619      0.89791193
    O      7.24768452      9.54258905      7.31666120      6.55534222
    C      7.27587547     12.33317119      7.36460229      4.07017440
    H      7.94192893     11.76970796      8.02073047      0.89745971
    O     18.55081057     20.29930494     22.57850991      6.55038070
    C     18.56664792      7.21822515     12.26610649      4.06926743
    H     17.91602971      7.90089138     11.71837298      0.89786388
    O     20.13221660     18.67441743     22.58362704      6.55695320
    C      7.22173763     18.73210166     12.37727419      4.07024220
    H      7.88657037     18.06349641     11.83409337      0.89911885
    O     18.53716045     18.66414350     16.47552501      6.56084568
    C     18.52591246     18.61767666     13.68250182      4.07275830
    H     17.86327822     17.95699591     14.24410088      0.90028966
    O     20.15165696     20.26427791     16.49496240      6.55069657
    C      7.24947499      7.34431848     13.73245428      4.06684858
    H      7.90591691      8.01516056     14.27605091      0.89893512
    O     20.14472684     16.43016623     20.31751310      6.54997384
    C      7.26404874     13.72221902      7.36642561      4.06792572
    H      7.92023490     14.26493484      8.03698079      0.89805473
    O     18.53352256     16.41617457     18.71451940      6.55929909
    C     18.51539518     13.62290887     18.66566395      4.07084542
    H     17.85244109     14.18583687     18.00721945      0.89995207
    O     18.55193167     22.53965359     20.34855198      6.54977777
    C     18.57156227     12.20254063      7.29362253      4.07081880
    H     17.91283551     11.66233907      7.97010153      0.89951963
    O     20.14018983     22.54101952     18.73236354      6.55726903
    C      7.21269099     12.36976038     18.73272112      4.06884409
    H      7.88240971     11.82220668     18.07084165      0.89969306
    O     16.33896159     18.74342143     18.76955050      6.59619444
    C     13.46364282     18.74894492     18.74722833      3.63159975
    N     13.99227566     17.70116608     18.03392140      5.42954872
    O     16.34795805     20.33398038     20.38470198      6.54299786
    C     13.66579493      7.32194992      7.31324255      4.03311085
    H     14.23210496      7.94196747      8.00466197      0.89556470
    O     22.37172791     18.64795173     20.31697283      6.55521011
    C     12.21253914     18.66535922      7.34784035      4.07124412
    H     11.66341192     18.01246169      8.02356379      0.89889558
    O     22.37629671     20.25458376     18.71467854      6.55550500
    C     12.19083191      7.30608042     18.68842451      4.06858549
    H     11.64951998      7.99035597     18.03813884      0.89983154
    C      6.45627980      6.46934486      2.86128703      3.29142171
    C      6.45603595      6.45703476      1.36007014      4.06831234
    C      6.43225654      6.49369164     10.13231370      3.29158576
    C      6.40989593      6.48735373     11.62838119      4.06718005
    C      2.82767126      6.51366493      6.51632161      3.29108607
    C      1.32500374      6.52408776      6.52312094      4.06791569
    C     10.08658301      6.46379116      6.47503321      3.32189380
    C     11.57946567      6.50283076      6.45485082      3.88246877
    C      6.45024024      2.83038732      6.48453838      3.29204186
    C      6.44420727      1.32342539      6.47991478      4.06749258
    C      6.43933081     10.12572675      6.51116801      3.29159322
    C      6.42183104     11.62064435      6.50663588      4.06810503
    C     19.33840695     19.48811380     23.17680380      3.29207290
    C     19.33542323     19.50086414     24.67498581      4.06910218
    C     19.35425540     19.46481539     15.89430664      3.28994788
    C     19.37952238     19.47427220     14.39780680      4.06889267
    C     19.34717762     15.83189244     19.51647452      3.29019560
    C     19.36745314     14.33664556     19.52400113      4.06960306
    C     19.34423900     23.13839256     19.54192013      3.29260379
    C     19.34729651     24.64237540     19.54701744      4.06846804
    C     15.74133209     19.56474993     19.56690016      3.28346286
    C     14.26174385     19.62126173     19.54355547      4.19478573
    C     22.96841974     19.44510464     19.51134108      3.29032050
    C     24.47010803     19.43575274     19.50561217      4.06879257
    H     13.32337584     17.28053695     17.39734961      0.76003655
    H     14.99107931     17.70239346     17.81932113      0.73723218
  107
Geometry Step: 8
   Zn      7.60759646      5.34068135      5.36965816     11.21897931
   Zn      5.33129926      7.62816167      5.35661708     11.21388617
   Zn      5.32381779      5.33388513      7.63369408     11.21250166
   Zn      7.60391358      7.63567008      7.64870471     11.21314878
   Zn     18.25072168     20.63058592     20.67421007     11.22015483
   Zn     20.47035696     18.32540935     20.68128402     11.21327812
   Zn     18.22033030     18.32975149     18.38968921     11.21256089
   Zn     20.47836439     20.63474557     18.38894816     11.21217557
    O      6.46482338      6.48901936      6.50611954      6.71766569
    O     19.35443337     19.47222345     19.52340320      6.71239264
    O      7.24847147      5.66424935      3.45322231      6.55536098
    C      7.22599140     18.74007267     13.76774969      4.07154669
    H      7.87274633     18.06440694     14.31288953      0.89579350
    O      5.66093149      7.28188931      3.44350570      6.55749983
    C     18.56854332      7.22975243     13.65939923      4.07082367
    H     17.90819472      7.89460842     14.19749944      0.89703337
    O      5.63806926      5.68964866      9.53807825      6.55331882
    C     18.53773709     18.61141228     12.29603136      4.07038396
    H     17.88365146     17.94254555     11.74295107      0.89833677
    O      7.24088401      7.29652897      9.55890464      6.55719325
    C      7.26785016      7.34739469     12.33920771      4.06956119
    H      7.92866546      7.99900810     11.78559751      0.89494174
    O      3.41526000      7.30965598      5.71152766      6.55739108
    C     13.58299646      7.29805403     18.67935461      4.06818831
    H     14.12952933      7.94541961     18.00838611      0.89719200
    O      3.41103952      5.70442583      7.31173854      6.55750633
    C     13.60348691     18.64866669      7.34562203      4.07426398
    H     14.14393329     17.97274313      7.98948682      0.89604636
    O      9.50374372      5.64968703      5.68795080      6.51309575
    N     12.10467925     18.82979987     18.70114880      5.36486416
    O      9.49912580      7.25726114      7.29398395      6.55930520
    C     12.27452539      7.33346901      7.34990039      4.16173991
    H     11.72050455      7.96794454      8.02742901      0.89230814
    O      5.65272432      3.41614226      7.29208643      6.55873131
    C     18.57433569     13.59307627      7.30075911      4.07314445
    H     17.91219085     14.13963344      7.95555550      0.89554336
    O      7.24569565      3.41989226      5.68273762      6.55457495
    C      7.22169251     13.76501033     18.73112103      4.06800811
    H      7.87902013     14.30056862     18.06111234      0.89692514
    O      5.64555243      9.53358157      5.70539992      6.55237760
    C     18.52505014     12.23567079     18.66129055      4.06772694
    H     17.86935815     11.68496057     17.98910480      0.89948535
    O      7.24615475      9.54829947      7.31428634      6.55724530
    C      7.27867804     12.32962598      7.36790201      4.07293081
    H      7.93906814     11.77471440      8.01866275      0.89494138
    O     18.55239207     20.29879319     22.58784717      6.55142325
    C     18.56589334      7.21873091     12.26657078      4.07210961
    H     17.91994043      7.89410005     11.71897960      0.89627785
    O     20.13160842     18.67404992     22.59217958      6.55899742
    C      7.22339648     18.72874399     12.37509415      4.07126696
    H      7.88271217     18.06544172     11.83400453      0.89713436
    O     18.53935130     18.66694225     16.46840571      6.56293537
    C     18.52306063     18.61354226     13.68638780      4.07069802
    H     17.86501890     17.95915948     14.23925773      0.89789663
    O     20.15088060     20.26473255     16.49040275      6.55187942
    C      7.25262959      7.34949279     13.72989236      4.06961938
    H      7.90890730      8.01678370     14.28227939      0.89843318
    O     20.14386504     16.42585414     20.31780586      6.55084263
    C      7.26542862     13.72138720      7.36841776      4.06720492
    H      7.92331636     14.27141130      8.03897629      0.89963470
    O     18.53536590     16.40951157     18.71724652      6.56081605
    C     18.51221947     13.62712702     18.66189940      4.07382431
    H     17.85434092     14.18133178     18.00865827      0.89757915
    O     18.55328040     22.55071217     20.34782608      6.55227274
    C     18.57013571     12.20011766      7.29659968      4.06867504
    H     17.91374497     11.66225096      7.96648083      0.89756136
    O     20.13940595     22.55045223     18.73271814      6.56013296
    C      7.21752762     12.37220959     18.72662434      4.07348873
    H      7.87872923     11.82288199     18.07332900      0.89561751
    O     16.33325753     18.74659890     18.77037003      6.59658524
    C     13.45915473     18.73592523     18.74697668      3.63263171
    N     13.99247536     17.70810912     18.01791540      5.42250747
    O     16.33859808     20.33436925     20.38392055      6.54685901
    C     13.67013075      7.33014810      7.32119965      4.03400214
    H     14.23691799      7.94359140      8.00008755      0.89248544
    O     22.38135200     18.64899445     20.31643376      6.55778929
    C     12.21177195     18.66192507      7.34951215      4.06840354
    H     11.66385256     18.01434283      8.01922745      0.89739523
    O     22.38572185     20.25455116     18.71560390      6.55769668
    C     12.19127991      7.31128085     18.68323951      4.07434811
    H     11.64949364      7.98594439     18.03908713      0.89615479
    C      6.45516128      6.46881940      2.85481748      3.29006857
    C      6.45444886      6.45404930      1.35929843      4.06653122
    C      6.43128108      6.49221906     10.13771091      3.28853484
    C      6.41283887      6.49023107     11.62921202      4.06926415
    C      2.82009643      6.51256696      6.51551916      3.28864496
    C      1.32486812      6.52426264      6.51828594      4.06851421
    C     10.08529560      6.46995880      6.46983686      3.31949424
    C     11.57630338      6.51214491      6.45662763      3.88317859
    C      6.44919636      2.82193134      6.48415905      3.28905367
    C      6.44527834      1.32273744      6.47626822      4.06937755
    C      6.43866669     10.13075912      6.50982198      3.29004096
    C      6.42280482     11.62280938      6.50663925      4.06645147
    C     19.33985950     19.48871395     23.18330561      3.29065066
    C     19.33729822     19.50352344     24.67637484      4.06748795
    C     19.35556476     19.46696998     15.88906500      3.28687332
    C     19.37666489     19.47107465     14.39747035      4.07145317
    C     19.34834052     15.82691597     19.51847275      3.28866116
    C     19.36657396     14.33489905     19.52370561      4.06823509
    C     19.34542620     23.14674405     19.54236953      3.28946207
    C     19.34646161     24.64351266     19.55043605      4.07068132
    C     15.73782543     19.56414528     19.56469015      3.28112916
    C     14.25641041     19.62163157     19.55811281      4.19572467
    C     22.97582003     19.44627457     19.51223236      3.28780252
    C     24.47033273     19.43548487     19.51036676      4.06961396
    H     13.33397901     17.27196501     17.39260223      0.75992131
    H     14.98649928     17.69794132     17.81723113      0.73789564
  107
Geometry Step: 9
   Zn      7.60796530      5.33974736      5.36891426     11.21835912
   Zn      5.33086039      7.62778604      5.35630954     11.21341943
   Zn      5.32341952      5.33354219      7.63341090     11.21190890
   Zn      7.60414999      7.63552735      7.64885550     11.21283404
   Zn     18.25143660     20.63148873     20.67517674     11.21903581
   Zn     20.47088041     18.32565971     20.68135114     11.21282570
   Zn     18.22327652     18.32909451     18.38899212     11.21199727
   Zn     20.47886164     20.63483894     18.38908497     11.21160253
    O      6.46459495      6.48860535      6.50560653      6.71755205
    O     19.35496477     19.47239802     19.52363491      6.71193675
    O      7.24893420      5.66397410      3.45147776      6.55577930
    C      7.22455563     18.74098906     13.76670742      4.06912905
    H      7.87334196     18.06467746     14.31432418      0.89644659
    O      5.66050358      7.28264963      3.44165570      6.55812917
    C     18.56869318      7.22959388     13.65778732      4.07149890
    H     17.90747699      7.89589761     14.19923904      0.89709174
    O      5.63742244      5.68854120      9.53850942      6.55351939
    C     18.53684880     18.60963483     12.29378798      4.06976965
    H     17.88180621     17.94126860     11.74090745      0.89785509
    O      7.24108854      7.29665097      9.56055767      6.55722915
    C      7.26724684      7.34715844     12.34095342      4.07037504
    H      7.93113049      8.00140491     11.78486317      0.89583322
    O      3.41328678      7.31001546      5.71099513      6.55767284
    C     13.58076759      7.29828314     18.67894163      4.07058761
    H     14.13097567      7.94668810     18.00788870      0.89706227
    O      3.40906060      5.70373778      7.31210814      6.55803942
    C     13.60316269     18.64969707      7.34372195      4.07038849
    H     14.14554624     17.97224156      7.99109177      0.89749898
    O      9.50301835      5.64907816      5.68752196      6.51295762
    N     12.10036782     18.82716798     18.70132737      5.35931856
    O      9.49952832      7.25810917      7.29506900      6.55919514
    C     12.27776890      7.33531754      7.35002458      4.16062076
    H     11.72115732      7.96891294      8.02969307      0.89236099
    O      5.65224290      3.41408301      7.29271384      6.55924455
    C     18.57607573     13.59208461      7.29893392      4.07124864
    H     17.91133757     14.14118761      7.95677846      0.89710011
    O      7.24616751      3.41758742      5.68237281      6.55457206
    C      7.22051268     13.76452446     18.73139699      4.06903363
    H      7.88047789     14.30221188     18.06047506      0.89758860
    O      5.64494894      9.53391676      5.70437748      6.55280338
    C     18.52220152     12.23484169     18.65801167      4.06970233
    H     17.86761526     11.68296419     17.98784948      0.89749996
    O      7.24648252      9.54975542      7.31432871      6.55777875
    C      7.27831203     12.33115730      7.36761404      4.07032860
    H      7.94134986     11.77391687      8.02119725      0.89582814
    O     18.55216007     20.29950504     22.58961569      6.55221135
    C     18.56735129      7.21769582     12.26782107      4.06962529
    H     17.91942615      7.89377138     11.71781408      0.89687381
    O     20.13207631     18.67325542     22.59384074      6.55935477
    C      7.22327135     18.72876516     12.37696799      4.07191859
    H      7.88350005     18.06409048     11.83247537      0.89721685
    O     18.53912001     18.66702877     16.46677558      6.56259104
    C     18.52351638     18.61362188     13.68494901      4.07145676
    H     17.86227734     17.95656202     14.24010780      0.89869079
    O     20.15169277     20.26605746     16.49012471      6.55217147
    C      7.25341351      7.35115778     13.73239845      4.06909344
    H      7.91075318      8.01810822     14.28427280      0.89795523
    O     20.14463642     16.42567694     20.31904962      6.55135410
    C      7.26816938     13.72246438      7.37158242      4.06912699
    H      7.92505325     14.27335826      8.04029011      0.89765824
    O     18.53506215     16.40799761     18.71734577      6.56100735
    C     18.51243286     13.62589532     18.66203511      4.07108794
    H     17.85177296     14.18224414     18.00592912      0.89838898
    O     18.55289585     22.55292635     20.34851836      6.55272141
    C     18.57133269     12.20077712      7.29622165      4.06968267
    H     17.91235739     11.66085785      7.96707601      0.89816565
    O     20.13991302     22.55231555     18.73207309      6.56033469
    C      7.21579046     12.37341429     18.72834748      4.07162638
    H      7.87965158     11.82152908     18.07205283      0.89720552
    O     16.33336610     18.74650504     18.76950090      6.59899054
    C     13.45437324     18.73407911     18.75639091      3.63187055
    N     13.99317525     17.71178721     18.01280175      5.42810166
    O     16.33825224     20.33515837     20.38463532      6.54665090
    C     13.66749778      7.33109468      7.32161269      4.03423124
    H     14.24151693      7.94784402      8.00292472      0.89314937
    O     22.38316644     18.64865263     20.31703664      6.55816036
    C     12.21407948     18.66166416      7.34991011      4.07079418
    H     11.66254324     18.01307219      8.01975408      0.89726238
    O     22.38755964     20.25530573     18.71525833      6.55829518
    C     12.19168219      7.31023551     18.68510642      4.07048390
    H     11.64801257      7.98647366     18.03748280      0.89761148
    C      6.45506785      6.46847636      2.85175747      3.29014182
    C      6.45510014      6.45253549      1.35695886      4.06693583
    C      6.43078093      6.49152600     10.14003710      3.28989075
    C      6.41180652      6.48929031     11.63309980      4.06741673
    C      2.81667611      6.51217591      6.51526508      3.28917550
    C      1.32181855      6.52212403      6.51992901      4.06781029
    C     10.08645285      6.47143500      6.46814638      3.32045009
    C     11.57729803      6.51248172      6.45373116      3.88370449
    C      6.44910284      2.81820415      6.48390707      3.29023734
    C      6.44417733      1.31842228      6.47700404      4.06705662
    C      6.43831018     10.13276820      6.50918570      3.29028838
    C      6.42366804     11.62520141      6.50732734      4.06727729
    C     19.34037530     19.48882075     23.18677528      3.29084019
    C     19.33675813     19.50492234     24.67890477      4.06777992
    C     19.35619347     19.46781404     15.88660056      3.28844397
    C     19.37769207     19.47185926     14.39380158      4.06931746
    C     19.34887944     15.82471014     19.51926913      3.28910788
    C     19.36571686     14.33272142     19.52288031      4.06895037
    C     19.34590070     23.15080878     19.54237244      3.29075922
    C     19.34767580     24.64800288     19.54960120      4.06813783
    C     15.73293209     19.56580077     19.56534567      3.28194911
    C     14.25113556     19.61760798     19.55691676      4.19425324
    C     22.97940839     19.44669206     19.51250143      3.28838709
    C     24.47339206     19.43759676     19.50869587      4.06886493
    H     13.33595957     17.26708120     17.38866090      0.76023679
    H     14.98924172     17.69515036     17.81468667      0.73690649
  107
Geometry Step: 10
   Zn      7.60764135      5.33773994      5.36737220     11.21823057
   Zn      5.32948767      7.62743225      5.35518703     11.21337664
   Zn      5.32219929      5.33229714      7.63311825     11.21183548
   Zn      7.60445139      7.63594926      7.64973522     11.21246772
   Zn     18.25084757     20.63314809     20.67665119     11.21877778
   Zn     20.47243697     18.32590346     20.68248713     11.21277505
   Zn     18.22446003     18.32820325     18.38785739     11.21163624
   Zn     20.48027850     20.63608862     18.38923358     11.21149633
    O      6.46460313      6.48821669      6.50518012      6.71813980
    O     19.35559184     19.47290571     19.52414226      6.71244884
    O      7.24954978      5.66353095      3.44991006      6.55574418
    C      7.22331709     18.74106140     13.76621947      4.06903721
    H      7.87329333     18.06562800     14.31577953      0.89661468
    O      5.66007982      7.28340440      3.43965027      6.55819546
    C     18.56906954      7.22841251     13.65756073      4.07085302
    H     17.90746951      7.89653880     14.20075656      0.89751225
    O      5.63706046      5.68766316      9.53983649      6.55414079
    C     18.53672708     18.60897988     12.29385424      4.06909426
    H     17.88114581     17.94109176     11.73927774      0.89799161
    O      7.24109891      7.29661383      9.56169842      6.55708503
    C      7.26687924      7.34724777     12.34248024      4.07042332
    H      7.93174367      8.00201263     11.78511035      0.89618838
    O      3.41123512      7.31043305      5.71034491      6.55762326
    C     13.58042821      7.29771302     18.67914828      4.07059835
    H     14.13234041      7.94754058     18.00785073      0.89731143
    O      3.40701575      5.70287707      7.31256290      6.55804735
    C     13.60321539     18.64956882      7.34288404      4.06990475
    H     14.14715745     17.97216020      7.99230832      0.89780008
    O      9.50301481      5.64962210      5.68762614      6.51337947
    N     12.09893956     18.82455070     18.70539690      5.35815402
    O      9.49859454      7.25898212      7.29555363      6.55859482
    C     12.27834529      7.33749868      7.35011352      4.16117456
    H     11.72171681      7.96954457      8.03097148      0.89205041
    O      5.65171377      3.41174762      7.29333814      6.55938089
    C     18.57674864     13.59124738      7.29771131      4.07044185
    H     17.91129240     14.14229317      7.95712385      0.89767798
    O      7.24675585      3.41505247      5.68182810      6.55461830
    C      7.21943438     13.76472616     18.73096740      4.06921265
    H      7.88129004     14.30399100     18.06049597      0.89767153
    O      5.64462804      9.53510502      5.70360792      6.55342173
    C     18.52173203     12.23512392     18.65748979      4.06927974
    H     17.86705174     11.68137883     17.98773826      0.89748698
    O      7.24670082      9.55061774      7.31423516      6.55777912
    C      7.27805433     12.33257021      7.36757749      4.07001405
    H      7.94186890     11.77402984      8.02205457      0.89619631
    O     18.55197039     20.30031914     22.59119701      6.55225643
    C     18.56868072      7.21745310     12.26856209      4.06950280
    H     17.91958961      7.89271770     11.71669229      0.89701509
    O     20.13256561     18.67247169     22.59582399      6.55936133
    C      7.22296689     18.72977737     12.37745657      4.07126557
    H      7.88360752     18.06334100     11.83121041      0.89765451
    O     18.53916593     18.66724580     16.46558244      6.56229284
    C     18.52378092     18.61336290     13.68360782      4.07148200
    H     17.86138677     17.95579528     14.24003618      0.89904609
    O     20.15220910     20.26706874     16.48876027      6.55281703
    C      7.25351589      7.35171751     13.73250712      4.06844005
    H      7.91136753      8.01831838     14.28594523      0.89807056
    O     20.14510632     16.42445662     20.31995489      6.55196575
    C      7.26861791     13.72233165      7.37202645      4.06870872
    H      7.92556724     14.27498706      8.04044495      0.89762802
    O     18.53494406     16.40697624     18.71754420      6.56087722
    C     18.51258415     13.62464203     18.66191935      4.07075190
    H     17.85097642     14.18230062     18.00491976      0.89877528
    O     18.55256916     22.55535841     20.34928364      6.55291481
    C     18.57249147     12.20077836      7.29651196      4.06983591
    H     17.91163822     11.65937970      7.96697676      0.89822177
    O     20.14050649     22.55460720     18.73143363      6.56042620
    C      7.21517780     12.37446061     18.72943839      4.07081235
    H      7.87979116     11.82066018     18.07161106      0.89779873
    O     16.33232901     18.74679578     18.76851083      6.59995424
    C     13.45400184     18.73365564     18.75645287      3.63148105
    N     13.99239440     17.71450833     18.00910560      5.42749987
    O     16.33681374     20.33665869     20.38516425      6.54673974
    C     13.66684705      7.33005235      7.32182046      4.03407444
    H     14.24388857      7.95029408      8.00278899      0.89373619
    O     22.38523527     18.64825525     20.31774737      6.55810125
    C     12.21447883     18.66220413      7.34967771      4.07080048
    H     11.66131807     18.01220654      8.01983505      0.89751449
    O     22.38963558     20.25623161     18.71482333      6.55829094
    C     12.19169139      7.31033765     18.68591482      4.06999796
    H     11.64653651      7.98659649     18.03625596      0.89791551
    C      6.45480056      6.46803780      2.85073225      3.29006411
    C      6.45515319      6.45259166      1.35708880      4.06699845
    C      6.43080485      6.49131860     10.14135438      3.28993108
    C      6.41109684      6.48849758     11.63401244      4.06726235
    C      2.81542202      6.51164254      6.51484677      3.28930636
    C      1.32158008      6.52193980      6.51992152      4.06742530
    C     10.08639614      6.47364971      6.46753308      3.32083547
    C     11.57811927      6.51219353      6.45234489      3.88345708
    C      6.44882671      2.81650614      6.48367007      3.29022030
    C      6.44425125      1.31821944      6.47742015      4.06676908
    C      6.43847800     10.13385481      6.50899494      3.29021484
    C      6.42327306     11.62588748      6.50650896      4.06741313
    C     19.34085717     19.48925166     23.18790862      3.29078195
    C     19.33681072     19.50470498     24.67899185      4.06782309
    C     19.35622679     19.46819611     15.88519698      3.28853338
    C     19.37836522     19.47255193     14.39297277      4.06912161
    C     19.34882955     15.82348104     19.51963748      3.28908594
    C     19.36609871     14.33208846     19.52361054      4.06908090
    C     19.34632638     23.15253217     19.54259507      3.29074603
    C     19.34768830     24.64837802     19.54905219      4.06781073
    C     15.73121302     19.56570115     19.56618005      3.28212648
    C     14.24887541     19.61352298     19.55857616      4.19460420
    C     22.98070230     19.44726449     19.51295799      3.28853599
    C     24.47367021     19.43775450     19.50867909      4.06847161
    H     13.33829397     17.26318111     17.38555402      0.76050560
    H     14.98938542     17.69407312     17.81408936      0.73696359
  107
Geometry Step: 11
   Zn      7.60638968      5.33063100      5.36201373     11.21778473
   Zn      5.32461335      7.62635753      5.35116599     11.21322224
   Zn      5.31787563      5.32781173      7.63224231     11.21164292
   Zn      7.60522486      7.63750335      7.65288322     11.21142301
   Zn     18.24837721     20.63898598     20.68165447     11.21809226
   Zn     20.47797112     18.32663773     20.68666896     11.21258198
   Zn     18.22777199     18.32534619     18.38406576     11.21058963
   Zn     20.48529521     20.64071236     18.38964302     11.21117000
    O      6.46456275      6.48684219      6.50373906      6.72030378
    O     19.35773152     19.47478123     19.52598670      6.71447849
    O      7.25128020      5.66225647      3.44481154      6.55550744
    C      7.21938187     18.74112993     13.76597525      4.06901039
    H      7.87211934     18.06983824     14.32005683      0.89686494
    O      5.65890725      7.28557212      3.43314461      6.55824904
    C     18.56926177      7.22560652     13.65815785      4.07017900
    H     17.90881737      7.89728281     14.20486043      0.89780597
    O      5.63628786      5.68510304      9.54440186      6.55556308
    C     18.53565079     18.60625439     12.29323934      4.06914118
    H     17.87985735     17.94139018     11.73436048      0.89752758
    O      7.24092968      7.29632182      9.56544070      6.55719743
    C      7.26563088      7.34748801     12.34450062      4.07011678
    H      7.93222392      8.00254324     11.78712790      0.89665269
    O      3.40459327      7.31145296      5.70840159      6.55749806
    C     13.57994308      7.29675513     18.67908560      4.07029745
    H     14.13611113      7.94920977     18.00896216      0.89752569
    O      3.40035758      5.70021322      7.31370202      6.55810307
    C     13.60352666     18.64809271      7.34134752      4.06949323
    H     14.15180649     17.97307923      7.99524030      0.89792220
    O      9.50298811      5.65215301      5.68824888      6.51420695
    N     12.09636793     18.81406697     18.71824443      5.35689501
    O      9.49562762      7.26192781      7.29671914      6.55765559
    C     12.27945104      7.34355002      7.34892929      4.16045467
    H     11.72377785      7.97151779      8.03457616      0.89191484
    O      5.65016701      3.40411447      7.29509020      6.55967998
    C     18.57745429     13.58927088      7.29530085      4.06990776
    H     17.91255754     14.14492443      7.95682533      0.89807866
    O      7.24841561      3.40668829      5.68020242      6.55478070
    C      7.21615850     13.76663147     18.72928253      4.06908588
    H      7.88282417     14.30934268     18.06172592      0.89751695
    O      5.64397989      9.53917730      5.70142366      6.55483492
    C     18.52020579     12.23471448     18.65587680      4.06931976
    H     17.86607034     11.67659801     17.98827645      0.89704493
    O      7.24723177      9.55342505      7.31372549      6.55819947
    C      7.27718021     12.33416251      7.36740333      4.06965008
    H      7.94201112     11.77561378      8.02340456      0.89663078
    O     18.55177434     20.30280446     22.59635697      6.55223455
    C     18.57295106      7.21678262     12.26969234      4.06942543
    H     17.92116711      7.88813776     11.71357426      0.89725902
    O     20.13397268     18.67019312     22.60234692      6.55928155
    C      7.22304042     18.73199091     12.37773039      4.07056894
    H      7.88262401     18.06219469     11.82798836      0.89799374
    O     18.53948010     18.66806654     16.46171346      6.56210660
    C     18.52469960     18.61254499     13.68216728      4.07110479
    H     17.85999051     17.95477177     14.23861913      0.89944451
    O     20.15346187     20.27001357     16.48394226      6.55412156
    C      7.25453893      7.35410966     13.73361933      4.06856055
    H      7.91247418      8.01812040     14.29105201      0.89757645
    O     20.14620326     16.42015023     20.32252848      6.55316189
    C      7.27009613     13.72314645      7.37338091      4.06881599
    H      7.92635409     14.27995459      8.04004007      0.89716281
    O     18.53469389     16.40367858     18.71834310      6.56108332
    C     18.51311673     13.62353873     18.66157827      4.07035308
    H     17.84992734     14.18128784     18.00310601      0.89919694
    O     18.55189553     22.56338991     20.35160145      6.55347633
    C     18.57606621     12.19958585      7.29770601      4.06965756
    H     17.91042628     11.65506702      7.96546728      0.89806207
    O     20.14229829     22.56217648     18.72961694      6.56066791
    C      7.21470165     12.37713218     18.73138457      4.07023684
    H      7.87886761     11.81885001     18.07155169      0.89823611
    O     16.32854648     18.74842327     18.76567007      6.60241482
    C     13.45238109     18.73317525     18.75451378      3.63018990
    N     13.99023697     17.72178257     17.99538089      5.42760743
    O     16.33100430     20.34110837     20.38597972      6.54700411
    C     13.66623774      7.32735855      7.32420495      4.03436815
    H     14.24995561      7.95622637      7.99956302      0.89452728
    O     22.39202839     18.64731498     20.31988107      6.55791858
    C     12.21516995     18.66305810      7.34964956      4.07048253
    H     11.65802105     18.01048875      8.01887520      0.89774715
    O     22.39649537     20.25909888     18.71376561      6.55826981
    C     12.19158607      7.31172026     18.68735186      4.06957252
    H     11.64234718      7.98582296     18.03328616      0.89805407
    C      6.45394005      6.46670073      2.84790035      3.28989927
    C      6.45584754      6.45224661      1.35724370      4.06680446
    C      6.43054552      6.49025478     10.14519463      3.28974302
    C      6.41057892      6.48762444     11.63689703      4.06689422
    C      2.81182811      6.50992285      6.51345012      3.28930445
    C      1.32137775      6.52160886      6.51938030      4.06693757
    C     10.08591259      6.48050195      6.46538111      3.32120669
    C     11.57982136      6.51406048      6.45198459      3.88375102
    C      6.44791795      2.81153670      6.48301204      3.28995452
    C      6.44557531      1.31777635      6.47772184      4.06629991
    C      6.43874376     10.13699060      6.50799095      3.28996232
    C      6.42315046     11.62841367      6.50491181      4.06716927
    C     19.34237445     19.49066633     23.19100533      3.29059345
    C     19.33645842     19.50450782     24.67953438      4.06764477
    C     19.35674935     19.46993955     15.88111529      3.28846025
    C     19.37875042     19.47311409     14.39035265      4.06868712
    C     19.34903307     15.81991078     19.52131726      3.28895682
    C     19.36616802     14.32971400     19.52493121      4.06884351
    C     19.34765120     23.15747676     19.54330480      3.29040350
    C     19.34663093     24.64934782     19.54831127      4.06731652
    C     15.72659173     19.56486118     19.56923704      3.28208438
    C     14.24360386     19.60115152     19.56589002      4.19465726
    C     22.98439006     19.44912366     19.51448481      3.28855421
    C     24.47401671     19.43799891     19.50914025      4.06800895
    H     13.34650048     17.25077993     17.37586443      0.76084500
    H     14.98824753     17.69121300     17.81308051      0.73727145
  107
Geometry Step: 12
   Zn      7.60547171      5.32577182      5.35859082     11.21751012
   Zn      5.32134949      7.62597155      5.34844706     11.21315694
   Zn      5.31499479      5.32469741      7.63196175     11.21163572
   Zn      7.60508993      7.63864416      7.65508031     11.21089274
   Zn     18.24607103     20.64293735     20.68467252     11.21775330
   Zn     20.48175879     18.32683964     20.68969170     11.21247045
   Zn     18.22893609     18.32385161     18.38180674     11.21001074
   Zn     20.48870266     20.64413098     18.38964496     11.21102604
    O      6.46415913      6.48573582      6.50270836      6.72201959
    O     19.35903586     19.47631197     19.52744476      6.71633011
    O      7.25193011      5.66159645      3.44264985      6.55512588
    C      7.21731890     18.74064986     13.76613267      4.06926352
    H      7.87103592     18.07265560     14.32270125      0.89679299
    O      5.65843176      7.28639224      3.43012007      6.55800136
    C     18.56899087      7.22413400     13.65883908      4.06996352
    H     17.91023755      7.89699243     14.20693897      0.89771022
    O      5.63596117      5.68356266      9.54682881      6.55634447
    C     18.53528405     18.60508564     12.29272458      4.06921832
    H     17.87964179     17.94206119     11.73185528      0.89730320
    O      7.24061002      7.29600059      9.56727544      6.55699512
    C      7.26524171      7.34790940     12.34575764      4.06993538
    H      7.93202143      8.00246732     11.78840913      0.89670397
    O      3.40166971      7.31161005      5.70736581      6.55714548
    C     13.58022792      7.29630129     18.67882414      4.07001565
    H     14.13814184      7.94969474     18.01015090      0.89742102
    O      3.39734235      5.69873084      7.31389712      6.55783297
    C     13.60397074     18.64680437      7.34077888      4.06976497
    H     14.15437086     17.97415989      7.99644838      0.89761840
    O      9.50277380      5.65457551      5.68854103      6.51489908
    N     12.09456270     18.80815771     18.72611191      5.35712054
    O      9.49398727      7.26405865      7.29672568      6.55728959
    C     12.28012479      7.34726522      7.34793630      4.16082135
    H     11.72475827      7.97343780      8.03644567      0.89186816
    O      5.64936940      3.40045200      7.29576058      6.55947239
    C     18.57757526     13.58853295      7.29420444      4.07001285
    H     17.91401243     14.14596230      7.95583743      0.89788979
    O      7.24907365      3.40261017      5.67930821      6.55454579
    C      7.21455939     13.76784810     18.72799979      4.06900292
    H      7.88293692     14.31261459     18.06311968      0.89715846
    O      5.64371020      9.54124130      5.70014388      6.55557831
    C     18.51989705     12.23412712     18.65560799      4.06916441
    H     17.86610448     11.67422633     17.98923134      0.89699354
    O      7.24734787      9.55473020      7.31322579      6.55813633
    C      7.27693814     12.33521084      7.36748137      4.06975968
    H      7.94153482     11.77666039      8.02376699      0.89667324
    O     18.55216980     20.30420362     22.59845649      6.55200101
    C     18.57525729      7.21684613     12.27009451      4.06965074
    H     17.92253479      7.88505108     11.71171553      0.89719443
    O     20.13459220     18.66927994     22.60551065      6.55901791
    C      7.22349606     18.73306977     12.37758201      4.07033675
    H      7.88148518     18.06216411     11.82650823      0.89792827
    O     18.53992527     18.66873700     16.45993750      6.56179301
    C     18.52491105     18.61177414     13.68120312      4.07092073
    H     17.85969992     17.95463844     14.23768881      0.89949396
    O     20.15409896     20.27178403     16.48126979      6.55489789
    C      7.25486815      7.35504072     13.73436119      4.06864532
    H      7.91252801      8.01747895     14.29373049      0.89733133
    O     20.14674136     16.41785175     20.32403021      6.55384952
    C      7.27037790     13.72389052      7.37347275      4.06867781
    H      7.92615231     14.28248976      8.03913802      0.89709234
    O     18.53475812     16.40222911     18.71906405      6.56104298
    C     18.51318062     13.62271631     18.66120013      4.07050556
    H     17.84993242     14.18055549     18.00256596      0.89927844
    O     18.55194933     22.56716567     20.35290258      6.55340386
    C     18.57787948     12.19881273      7.29865517      4.06952918
    H     17.91053459     11.65248638      7.96387289      0.89770101
    O     20.14327153     22.56591222     18.72887909      6.56050066
    C      7.21473900     12.37828742     18.73217785      4.07031173
    H      7.87767214     11.81835839     18.07225694      0.89807171
    O     16.32657370     18.75036281     18.76462076      6.60303807
    C     13.45111298     18.73242052     18.75192734      3.62981560
    N     13.98892515     17.72584970     17.98706990      5.42661900
    O     16.32764051     20.34364619     20.38585841      6.54775692
    C     13.66755503      7.32455355      7.32566503      4.03423687
    H     14.25233324      7.95851869      7.99599451      0.89478813
    O     22.39513938     18.64720768     20.32102735      6.55749510
    C     12.21502627     18.66344063      7.34985279      4.07019008
    H     11.65628781     18.00996663      8.01778846      0.89764973
    O     22.39972888     20.26069884     18.71362314      6.55792340
    C     12.19128270      7.31294814     18.68785343      4.06983909
    H     11.64007351      7.98483832     18.03205017      0.89775885
    C      6.45363253      6.46606726      2.84705404      3.28990608
    C      6.45623876      6.45252910      1.35673288      4.06699664
    C      6.43043887      6.48959768     10.14670847      3.28946286
    C      6.41038386      6.48716963     11.63822751      4.06716818
    C      2.81066672      6.50895869      6.51266028      3.28937043
    C      1.32062115      6.52176414      6.51899759      4.06716418
    C     10.08540795      6.48389602      6.46496037      3.32111899
    C     11.58087338      6.51453563      6.45329553      3.88377471
    C      6.44754627      2.80967871      6.48280512      3.28988618
    C      6.44653366      1.31716953      6.47795146      4.06660862
    C      6.43897081     10.13811199      6.50730751      3.28974623
    C      6.42301269     11.62969422      6.50387645      4.06722036
    C     19.34307391     19.49146162     23.19199151      3.29054528
    C     19.33627708     19.50387515     24.68043235      4.06785423
    C     19.35692634     19.47091398     15.87953083      3.28816729
    C     19.37882665     19.47340306     14.38912132      4.06897000
    C     19.34899477     15.81859006     19.52229652      3.28872388
    C     19.36624511     14.32845331     19.52581703      4.06895086
    C     19.34824703     23.15927581     19.54364159      3.29025558
    C     19.34582451     24.65021560     19.54779921      4.06760451
    C     15.72461921     19.56334535     19.57125711      3.28158041
    C     14.24192942     19.59497943     19.57108889      4.19488322
    C     22.98564917     19.45018086     19.51535796      3.28862427
    C     24.47488690     19.43779555     19.50948061      4.06824903
    H     13.35092454     17.24333836     17.36977215      0.76094110
    H     14.98775713     17.69009661     17.81303210      0.73759127
  107
Geometry Step: 13
   Zn      7.60432161      5.31980646      5.35472934     11.21704124
   Zn      5.31749447      7.62589047      5.34517408     11.21294912
   Zn      5.31159496      5.32083681      7.63199032     11.21158194
   Zn      7.60397132      7.64002725      7.65772402     11.21044568
   Zn     18.24248415     20.64775990     20.68783996     11.21726536
   Zn     20.48635636     18.32677050     20.69356170     11.21217568
   Zn     18.22938790     18.32271696     18.37955004     11.20947811
   Zn     20.49281170     20.64861314     18.38933248     11.21074788
    O      6.46308419      6.48407195      6.50132994      6.72433058
    O     19.36048999     19.47853719     19.52950116      6.71905581
    O      7.25208218      5.66097461      3.44146781      6.55458490
    C      7.21500846     18.74003371     13.76661730      4.06944598
    H      7.86955358     18.07589079     14.32594074      0.89668856
    O      5.65818285      7.28663033      3.42810356      6.55749085
    C     18.56855839      7.22259764     13.65968096      4.07005182
    H     17.91235465      7.89590199     14.20894396      0.89737661
    O      5.63577386      5.68179923      9.54887466      6.55688609
    C     18.53535405     18.60446037     12.29142697      4.06955139
    H     17.87994545     17.94325603     11.72954618      0.89702224
    O      7.24004130      7.29553941      9.56867849      6.55666782
    C      7.26488372      7.34827368     12.34689821      4.06983219
    H      7.93148783      8.00220707     11.78973394      0.89665278
    O      3.39994017      7.31109290      5.70639979      6.55652287
    C     13.58062722      7.29566445     18.67860040      4.06972765
    H     14.14029006      7.94970458     18.01197686      0.89726385
    O      3.39540880      5.69723261      7.31338278      6.55735471
    C     13.60438021     18.64550260      7.34003502      4.07002035
    H     14.15706823     17.97588931      7.99719104      0.89728191
    O      9.50206194      5.65830971      5.68850907      6.51579098
    N     12.09221917     18.80184892     18.73419668      5.35770917
    O      9.49245260      7.26720346      7.29599376      6.55733231
    C     12.28149283      7.35124315      7.34645998      4.16081529
    H     11.72572529      7.97668577      8.03800825      0.89205077
    O      5.64866546      3.39781591      7.29595370      6.55884622
    C     18.57788260     13.58809353      7.29303873      4.07038667
    H     17.91627922     14.14665733      7.95391908      0.89745965
    O      7.24931026      3.39950672      5.67843419      6.55396028
    C      7.21278583     13.76904701     18.72692148      4.06884839
    H      7.88214425     14.31652094     18.06532481      0.89678550
    O      5.64354687      9.54280116      5.69871391      6.55608798
    C     18.52023282     12.23267722     18.65605117      4.06924535
    H     17.86678068     11.67212973     17.99094543      0.89692778
    O      7.24726979      9.55560964      7.31249308      6.55793114
    C      7.27668729     12.33622413      7.36739110      4.06997230
    H      7.94055336     11.77779493      8.02387449      0.89660512
    O     18.55335343     20.30565897     22.59945816      6.55173249
    C     18.57789015      7.21691861     12.27025703      4.06982980
    H     17.92438835      7.88145608     11.70947377      0.89714303
    O     20.13500918     18.66888204     22.60785855      6.55854332
    C      7.22416738     18.73410813     12.37733230      4.07038389
    H      7.87977267     18.06278195     11.82527585      0.89762221
    O     18.54061028     18.66958383     16.45888281      6.56150338
    C     18.52510087     18.61103355     13.68029032      4.07080604
    H     17.85976508     17.95478349     14.23673469      0.89943176
    O     20.15463073     20.27377829     16.47882687      6.55540323
    C      7.25474505      7.35535973     13.73584598      4.06900705
    H      7.91195560      8.01625402     14.29629662      0.89702790
    O     20.14716061     16.41590325     20.32566431      6.55426667
    C      7.27000946     13.72542986      7.37280950      4.06879939
    H      7.92520530     14.28481898      8.03742746      0.89700555
    O     18.53494806     16.40151330     18.72007149      6.56117323
    C     18.51327637     13.62183330     18.66098807      4.07077384
    H     17.85049229     14.17972215     18.00239814      0.89925765
    O     18.55269057     22.56982664     20.35422207      6.55295873
    C     18.57993248     12.19810616      7.29930584      4.06933312
    H     17.91160850     11.64944066      7.96140351      0.89735515
    O     20.14422035     22.56878226     18.72855534      6.55998321
    C      7.21463161     12.37917140     18.73296841      4.07063315
    H      7.87577160     11.81835341     18.07376477      0.89766209
    O     16.32534074     18.75323386     18.76389732      6.60330245
    C     13.44896823     18.73127014     18.74920983      3.62936499
    N     13.98739926     17.72999242     17.97713449      5.42644434
    O     16.32437895     20.34629121     20.38507741      6.54839777
    C     13.67004751      7.32038185      7.32750772      4.03432455
    H     14.25388195      7.95976084      7.99046908      0.89472811
    O     22.39720123     18.64778703     20.32211031      6.55675668
    C     12.21481715     18.66398549      7.35000809      4.06988849
    H     11.65449335     18.00990649      8.01608751      0.89749600
    O     22.40202609     20.26232179     18.71420398      6.55733906
    C     12.19106416      7.31417707     18.68851280      4.07009288
    H     11.63772402      7.98322456     18.03127097      0.89743072
    C      6.45357768      6.46568394      2.84660363      3.29007994
    C      6.45685615      6.45317552      1.35532487      4.06734861
    C      6.43018558      6.48863828     10.14769045      3.28927081
    C      6.41046669      6.48695723     11.63964164      4.06749129
    C      2.80999619      6.50802033      6.51186310      3.28955640
    C      1.31895751      6.52212980      6.51878232      4.06773830
    C     10.08491149      6.48650874      6.46567167      3.32070137
    C     11.58187837      6.51445120      6.45711264      3.88404121
    C      6.44736416      2.80846394      6.48287554      3.29007667
    C      6.44775183      1.31590098      6.47820812      4.06712835
    C      6.43912609     10.13868360      6.50624291      3.28960186
    C      6.42314180     11.63104474      6.50303854      4.06728375
    C     19.34358905     19.49217340     23.19258234      3.29058968
    C     19.33591279     19.50281364     24.68225657      4.06826084
    C     19.35723768     19.47218256     15.87855985      3.28791360
    C     19.37854102     19.47342720     14.38778273      4.06928252
    C     19.34902926     15.81786981     19.52362273      3.28849644
    C     19.36599370     14.32707698     19.52647936      4.06908252
    C     19.34866657     23.16037691     19.54383454      3.29030218
    C     19.34477494     24.65173013     19.54720910      4.06810772
    C     15.72310629     19.56108639     19.57414637      3.28085236
    C     14.24105025     19.58844433     19.57622566      4.19503246
    C     22.98651193     19.45122985     19.51625357      3.28880057
    C     24.47673390     19.43738101     19.50965663      4.06882969
    H     13.35531993     17.23511900     17.36270701      0.76079223
    H     14.98781728     17.68952666     17.81356355      0.73788787
  107
Geometry Step: 14
   Zn      7.60331329      5.31469893      5.35182359     11.21643902
   Zn      5.31443593      7.62615187      5.34247032     11.21256115
   Zn      5.30887068      5.31751683      7.63234975     11.21139487
   Zn      7.60183086      7.64105195      7.65978752     11.21022515
   Zn     18.23864622     20.65187025     20.68992158     11.21668003
   Zn     20.49016033     18.32648717     20.69699315     11.21168610
   Zn     18.22912802     18.32265770     18.37829420     11.20914157
   Zn     20.49619509     20.65271197     18.38880837     11.21031616
    O      6.46141867      6.48219756      6.49997172      6.72637200
    O     19.36167568     19.48092492     19.53163126      6.72167013
    O      7.25144474      5.66065112      3.44159875      6.55414998
    C      7.21329167     18.73961718     13.76708380      4.06959166
    H      7.86810195     18.07852465     14.32896203      0.89655114
    O      5.65828776      7.28604222      3.42787809      6.55711110
    C     18.56859511      7.22127408     13.66018829      4.07010825
    H     17.91446315      7.89432815     14.21038487      0.89712421
    O      5.63581761      5.68026409      9.54967926      6.55719609
    C     18.53607456     18.60475552     12.29002319      4.06972084
    H     17.88058848     17.94450997     11.72797207      0.89696145
    O      7.23924229      7.29495711      9.56917142      6.55624653
    C      7.26474591      7.34845474     12.34804178      4.06981382
    H      7.93091040      8.00199112     11.79061055      0.89659079
    O      3.40003161      7.30980851      5.70585908      6.55599314
    C     13.58108163      7.29488830     18.67875632      4.06960474
    H     14.14195015      7.94913581     18.01398463      0.89711797
    O      3.39523826      5.69621628      7.31204763      6.55697362
    C     13.60471640     18.64490046      7.33916778      4.07015801
    H     14.15905684     17.97786544      7.99710506      0.89705048
    O      9.50094452      5.66238408      5.68795911      6.51677948
    N     12.08945548     18.79765247     18.74019480      5.35815686
    O      9.49165299      7.27079731      7.29472085      6.55765072
    C     12.28330982      7.35435827      7.34542305      4.16107685
    H     11.72683007      7.98049362      8.03832004      0.89215773
    O      5.64835791      3.39721595      7.29542775      6.55822876
    C     18.57881219     13.58798789      7.29191413      4.07055722
    H     17.91862355     14.14693320      7.95166897      0.89714004
    O      7.24883054      3.39847252      5.67797785      6.55324333
    C      7.21146709     13.76968206     18.72663985      4.06888014
    H      7.88049046     14.32001256     18.06779229      0.89649975
    O      5.64354832      9.54313725      5.69749539      6.55637392
    C     18.52129213     12.23108573     18.65719131      4.06932806
    H     17.86782316     11.67077590     17.99284639      0.89699091
    O      7.24687070      9.55576410      7.31161770      6.55756892
    C      7.27655092     12.33736906      7.36711590      4.07009258
    H      7.93942719     11.77862935      8.02379693      0.89653350
    O     18.55520674     20.30671981     22.59904013      6.55173103
    C     18.57991409      7.21680546     12.27033782      4.06996559
    H     17.92619448      7.87847405     11.70739420      0.89705463
    O     20.13504917     18.66925670     22.60854816      6.55815004
    C      7.22436409     18.73494645     12.37731133      4.07039933
    H      7.87810252     18.06383423     11.82459305      0.89739069
    O     18.54150602     18.67052159     16.45899824      6.56116729
    C     18.52512370     18.61056582     13.67925266      4.07078881
    H     17.86005253     17.95503720     14.23612669      0.89937801
    O     20.15490506     20.27551567     16.47761946      6.55578584
    C      7.25394180      7.35475999     13.73733038      4.06918487
    H      7.91098250      8.01488835     14.29813891      0.89694400
    O     20.14735279     16.41516697     20.32704805      6.55458642
    C      7.26889255     13.72699941      7.37145198      4.06889066
    H      7.92383941     14.28640290      8.03545459      0.89704608
    O     18.53533185     16.40188299     18.72127288      6.56131696
    C     18.51332519     13.62068852     18.66105764      4.07096827
    H     17.85139291     14.17906360     18.00258053      0.89925875
    O     18.55413308     22.57037864     20.35510189      6.55239846
    C     18.58151129     12.19785701      7.29918009      4.06930359
    H     17.91352071     11.64674071      7.95868615      0.89707927
    O     20.14478856     22.56974260     18.72890074      6.55940679
    C      7.21389096     12.37961330     18.73373525      4.07076316
    H      7.87381569     11.81873655     18.07556939      0.89735899
    O     16.32568999     18.75606474     18.76370986      6.60299399
    C     13.44629645     18.72889251     18.74783418      3.62903565
    N     13.98624924     17.73362058     17.96830662      5.42647616
    O     16.32241288     20.34839335     20.38410529      6.54881528
    C     13.67257166      7.31580887      7.32869362      4.03430075
    H     14.25461332      7.95971304      7.98489236      0.89464632
    O     22.39750282     18.64912536     20.32274726      6.55610964
    C     12.21457193     18.66467077      7.34979569      4.06975268
    H     11.65315359     18.01042807      8.01418897      0.89734207
    O     22.40260821     20.26343772     18.71560045      6.55686514
    C     12.19093827      7.31471566     18.68929937      4.07023664
    H     11.63605251      7.98134728     18.03132488      0.89720169
    C      6.45391552      6.46572176      2.84631823      3.29024166
    C      6.45724839      6.45412125      1.35362988      4.06775625
    C      6.42988679      6.48766626     10.14799760      3.28919408
    C      6.41065212      6.48697492     11.64047793      4.06778172
    C      2.80960765      6.50741174      6.51133029      3.28975399
    C      1.31687424      6.52257714      6.51881568      4.06828700
    C     10.08463196      6.48740308      6.46766294      3.32020799
    C     11.58243613      6.51289209      6.46200736      3.88415993
    C      6.44753998      2.80793754      6.48318830      3.29037376
    C      6.44848149      1.31455968      6.47860579      4.06761393
    C      6.43919056     10.13867058      6.50509384      3.28951932
    C      6.42345962     11.63176975      6.50265997      4.06741599
    C     19.34374567     19.49249056     23.19301472      3.29061582
    C     19.33577274     19.50151002     24.68428412      4.06870302
    C     19.35749170     19.47327928     15.87839288      3.28773420
    C     19.37812931     19.47324553     14.38699672      4.06954899
    C     19.34901985     15.81788436     19.52481995      3.28827168
    C     19.36553640     14.32630592     19.52669943      4.06928622
    C     19.34876900     23.16081187     19.54377502      3.29047045
    C     19.34420077     24.65323570     19.54652365      4.06853878
    C     15.72241813     19.55872605     19.57676184      3.28034285
    C     14.24066679     19.58349142     19.57942479      4.19538391
    C     22.98718646     19.45193336     19.51686745      3.28898637
    C     24.47904777     19.43689793     19.50959907      4.06936109
    H     13.35834124     17.22854804     17.35663599      0.76053743
    H     14.98855020     17.68968913     17.81452325      0.73801125
  107
Geometry Step: 15
   Zn      7.60231462      5.31006698      5.34964379     11.21568177
   Zn      5.31199743      7.62660800      5.34012660     11.21195781
   Zn      5.30660812      5.31448567      7.63294280     11.21102827
   Zn      7.59835337      7.64160935      7.66122559     11.21020760
   Zn     18.23433613     20.65560485     20.69107274     11.21593552
   Zn     20.49339156     18.32617685     20.70020630     11.21097141
   Zn     18.22869681     18.32387218     18.37810522     11.20897052
   Zn     20.49907709     20.65669309     18.38819094     11.20968886
    O      6.45897232      6.47985390      6.49849598      6.72809853
    O     19.36280727     19.48377526     19.53407555      6.72409591
    O      7.25006848      5.66044403      3.44238184      6.55400075
    C      7.21172611     18.73981404     13.76761172      4.06959646
    H      7.86645654     18.08100459     14.33226164      0.89645473
    O      5.65864217      7.28472948      3.42882441      6.55684071
    C     18.56944097      7.21992802     13.66039554      4.07017579
    H     17.91676300      7.89218470     14.21166618      0.89698322
    O      5.63611550      5.67867245      9.54957577      6.55734419
    C     18.53750226     18.60582047     12.28837771      4.06977250
    H     17.88152886     17.94590726     11.72658294      0.89709822
    O      7.23810009      7.29416302      9.56903083      6.55582847
    C      7.26468075      7.34834620     12.34922034      4.06988093
    H      7.93030205      8.00185624     11.79133759      0.89652428
    O      3.40119646      7.30768860      5.70554133      6.55567151
    C     13.58139717      7.29376346     18.67958718      4.06957048
    H     14.14349832      7.94796963     18.01644791      0.89707552
    O      3.39608349      5.69538063      7.30982127      6.55681855
    C     13.60488481     18.64522246      7.33787931      4.07008281
    H     14.16071848     17.98035425      7.99626266      0.89702455
    O      9.49935005      5.66725784      5.68685383      6.51781311
    N     12.08593491     18.79441724     18.74516211      5.35849755
    O      9.49141747      7.27550536      7.29302671      6.55820477
    C     12.28540640      7.35663143      7.34478951      4.16111458
    H     11.72881312      7.98531221      8.03717387      0.89219879
    O      5.64837386      3.39795486      7.29420774      6.55763010
    C     18.58069943     13.58797537      7.29060004      4.07055670
    H     17.92123156     14.14710975      7.94896259      0.89697199
    O      7.24770936      3.39870749      5.67780836      6.55260109
    C      7.21012253     13.77000026     18.72749482      4.06897434
    H      7.87787955     14.32367615     18.07080468      0.89637029
    O      5.64371575      9.54253942      5.69624887      6.55651051
    C     18.52310403     12.22924729     18.65899970      4.06942531
    H     17.86920696     11.66958512     17.99506593      0.89717694
    O      7.24610561      9.55538969      7.31048741      6.55713179
    C      7.27640371     12.33869310      7.36652055      4.07013265
    H      7.93808999     11.77946500      8.02361506      0.89646470
    O     18.55789992     20.30766399     22.59789717      6.55215313
    C     18.58180831      7.21601083     12.27035232      4.06996839
    H     17.92822117      7.87561831     11.70511911      0.89701964
    O     20.13486659     18.67022825     22.60823549      6.55785369
    C      7.22378537     18.73572828     12.37758681      4.07040783
    H      7.87634654     18.06532193     11.82418812      0.89726165
    O     18.54272062     18.67169401     16.46009157      6.56088943
    C     18.52509327     18.61043376     13.67810446      4.07083744
    H     17.86046003     17.95532766     14.23562421      0.89932673
    O     20.15494414     20.27730973     16.47729797      6.55605369
    C      7.25237458      7.35335070     13.73901302      4.06925231
    H      7.90958929      8.01326760     14.29982859      0.89705395
    O     20.14733805     16.41533558     20.32844859      6.55481049
    C      7.26697421     13.72875568      7.36939738      4.06898912
    H      7.92202212     14.28783302      8.03306718      0.89720476
    O     18.53589149     16.40322673     18.72285678      6.56161468
    C     18.51342293     13.61926250     18.66151170      4.07107256
    H     17.85261905     14.17832173     18.00300365      0.89928334
    O     18.55640678     22.56963768     20.35574154      6.55188906
    C     18.58312461     12.19788108      7.29787670      4.06933065
    H     17.91639538     11.64391285      7.95541227      0.89695690
    O     20.14512325     22.56951335     18.72982970      6.55882231
    C      7.21221173     12.37992478     18.73463987      4.07071425
    H      7.87167989     11.81929966     18.07772434      0.89720138
    O     16.32759505     18.75880955     18.76376239      6.60239633
    C     13.44286900     18.72472658     18.74821779      3.62850939
    N     13.98517951     17.73772280     17.95871752      5.42706988
    O     16.32101818     20.35030497     20.38306829      6.54874189
    C     13.67481562      7.31075817      7.32933487      4.03441598
    H     14.25549056      7.95882766      7.97891486      0.89456222
    O     22.39683668     18.65130898     20.32315936      6.55566129
    C     12.21453994     18.66569209      7.34891231      4.06970501
    H     11.65195909     18.01154772      8.01183014      0.89728042
    O     22.40226060     20.26436786     18.71790134      6.55663430
    C     12.19105519      7.31432879     18.69049994      4.07017361
    H     11.63474240      7.97895018     18.03213954      0.89717322
    C      6.45450986      6.46619344      2.84578930      3.29029876
    C      6.45756423      6.45514307      1.35186533      4.06811011
    C      6.42944955      6.48649623     10.14801616      3.28921820
    C      6.41083010      6.48715618     11.64097708      4.06792974
    C      2.80897528      6.50695985      6.51092287      3.28983205
    C      1.31455362      6.52305594      6.51904908      4.06872953
    C     10.08439284      6.48714831      6.47095993      3.31970459
    C     11.58257383      6.50986925      6.46850208      3.88420804
    C      6.44791966      2.80753515      6.48374674      3.29065297
    C      6.44884239      1.31336033      6.47907085      4.06795180
    C      6.43913553     10.13838048      6.50367429      3.28948473
    C      6.42391186     11.63202986      6.50257012      4.06751964
    C     19.34375202     19.49245787     23.19369867      3.29051448
    C     19.33578741     19.50013213     24.68639237      4.06909368
    C     19.35783378     19.47447503     15.87867942      3.28763591
    C     19.37767523     19.47286343     14.38657871      4.06964314
    C     19.34905921     15.81835924     19.52614518      3.28804804
    C     19.36491613     14.32602166     19.52658493      4.06945357
    C     19.34875166     23.16112446     19.54349418      3.29062313
    C     19.34404179     24.65458732     19.54576409      4.06880551
    C     15.72217688     19.55640701     19.57923740      3.28018340
    C     14.23997730     19.57846696     19.58094433      4.19596993
    C     22.98824061     19.45247301     19.51735033      3.28905276
    C     24.48170460     19.43638662     19.50934722      4.06976716
    H     13.36094673     17.22258338     17.35067709      0.76013747
    H     14.98976720     17.69043925     17.81595857      0.73798566
  107
Geometry Step: 16
   Zn      7.60149434      5.30714136      5.34874039     11.21503583
   Zn      5.31086958      7.62696278      5.33874410     11.21136792
   Zn      5.30535945      5.31252138      7.63349822     11.21062841
   Zn      7.59418169      7.64132895      7.66139683     11.21041139
   Zn     18.23068822     20.65801749     20.69098410     11.21526438
   Zn     20.49514205     18.32615969     20.70233971     11.21029840
   Zn     18.22876224     18.32635597     18.37928117     11.20900070
   Zn     20.50069283     20.65949090     18.38781534     11.20909801
    O      6.45627096      6.47749819      6.49725310      6.72885030
    O     19.36373313     19.48654971     19.53634016      6.72541557
    O      7.24841514      5.66019006      3.44298404      6.55416023
    C      7.21061449     18.74080307     13.76809477      4.06957675
    H      7.86477929     18.08307017     14.33521061      0.89637237
    O      5.65893577      7.28326870      3.43015410      6.55683222
    C     18.57127337      7.21871105     13.66030819      4.07011401
    H     17.91881848      7.88991915     14.21267655      0.89707140
    O      5.63658418      5.67718217      9.54885105      6.55738989
    C     18.53920056     18.60715108     12.28705423      4.06972182
    H     17.88259836     17.94722589     11.72537485      0.89734526
    O      7.23683852      7.29331084      9.56846561      6.55554390
    C      7.26457899      7.34786287     12.35028628      4.06990096
    H      7.92980179      8.00181701     11.79202036      0.89651035
    O      3.40242897      7.30537235      5.70524207      6.55572325
    C     13.58160863      7.29246922     18.68111547      4.06964581
    H     14.14469725      7.94639259     18.01898870      0.89711763
    O      3.39702988      5.69458018      7.30736424      6.55698753
    C     13.60503005     18.64655850      7.33637015      4.06991931
    H     14.16175814     17.98296480      7.99481579      0.89715560
    O      9.49768224      5.67199233      5.68553463      6.51860675
    N     12.08233944     18.79225949     18.74884133      5.35863083
    O      9.49161416      7.28058780      7.29150453      6.55868826
    C     12.28715023      7.35725703      7.34495423      4.16111478
    H     11.73184947      7.99025413      8.03451947      0.89207412
    O      5.64853634      3.39926716      7.29277976      6.55732425
    C     18.58333753     13.58793640      7.28925723      4.07031716
    H     17.92357089     14.14734672      7.94640151      0.89704445
    O      7.24638956      3.39946736      5.67782000      6.55224472
    C      7.20890302     13.77016519     18.72943583      4.06918177
    H      7.87482203     14.32684683     18.07385148      0.89635565
    O      5.64397561      9.54140709      5.69507610      6.55655083
    C     18.52510024     12.22773938     18.66085421      4.06952600
    H     17.87063833     11.66844841     17.99718664      0.89738317
    O      7.24514131      9.55469824      7.30934789      6.55672584
    C      7.27614420     12.33995587      7.36562161      4.07001887
    H      7.93683469     11.78039224      8.02339795      0.89646065
    O     18.56073794     20.30855486     22.59695060      6.55292114
    C     18.58320981      7.21445568     12.27034195      4.06993610
    H     17.93022859      7.87322793     11.70309167      0.89698021
    O     20.13475281     18.67125338     22.60756884      6.55775091
    C      7.22221764     18.73637777     12.37809953      4.07029471
    H      7.87485141     18.06690224     11.82404113      0.89735347
    O     18.54403845     18.67291198     16.46174505      6.56069800
    C     18.52510272     18.61074993     13.67705112      4.07083371
    H     17.86083392     17.95557012     14.23510145      0.89934277
    O     20.15479576     20.27898657     16.47772864      6.55626538
    C      7.25047664      7.35168829     13.74035809      4.06920060
    H      7.90801864      8.01164735     14.30130993      0.89727840
    O     20.14718576     16.41616515     20.32976310      6.55500095
    C      7.26481408     13.73017122      7.36729940      4.06906262
    H      7.92012169     14.28916400      8.03071072      0.89738616
    O     18.53646272     16.40514134     18.72457122      6.56193691
    C     18.51364590     13.61787844     18.66234043      4.07101065
    H     17.85384572     14.17740689     18.00350841      0.89938362
    O     18.55889475     22.56848518     20.35622145      6.55165352
    C     18.58457004     12.19797985      7.29552083      4.06946394
    H     17.91966194     11.64146252      7.95215087      0.89693135
    O     20.14535666     22.56874466     18.73089045      6.55843592
    C      7.20977349     12.38019510     18.73557185      4.07044085
    H      7.86981651     11.81976614     18.07971840      0.89727986
    O     16.33042710     18.76067799     18.76396808      6.60166177
    C     13.43938886     18.71928477     18.75019790      3.62794910
    N     13.98434137     17.74215068     17.94977419      5.42760615
    O     16.31987067     20.35173199     20.38241460      6.54838599
    C     13.67600503      7.30637194      7.32894351      4.03447574
    H     14.25709828      7.95757356      7.97387131      0.89468221
    O     22.39610218     18.65369281     20.32354493      6.55561717
    C     12.21466945     18.66688967      7.34734431      4.06976880
    H     11.65110864     18.01309257      8.00936338      0.89729701
    O     22.40177872     20.26524805     18.72044186      6.55677181
    C     12.19125201      7.31293729     18.69193081      4.07002519
    H     11.63405000      7.97640024     18.03357433      0.89729766
    C      6.45512245      6.46686911      2.84501046      3.29017894
    C      6.45765982      6.45597647      1.35075488      4.06829285
    C      6.42896332      6.48536183     10.14795946      3.28929709
    C      6.41082511      6.48738669     11.64109122      4.06793258
    C      2.80800109      6.50661915      6.51062481      3.28973073
    C      1.31274053      6.52345159      6.51936648      4.06886218
    C     10.08402591      6.48636227      6.47470321      3.31943856
    C     11.58221956      6.50566784      6.47481616      3.88404264
    C      6.44831162      2.80711760      6.48427674      3.29075093
    C      6.44864598      1.31283500      6.47963617      4.06804458
    C      6.43898587     10.13805055      6.50228684      3.28950063
    C      6.42430505     11.63181003      6.50263993      4.06755314
    C     19.34380333     19.49215910     23.19463220      3.29027156
    C     19.33608173     19.49901293     24.68782050      4.06929110
    C     19.35819375     19.47554563     15.87916850      3.28761322
    C     19.37742759     19.47240954     14.38660486      4.06959287
    C     19.34910849     15.81906635     19.52732179      3.28787914
    C     19.36438304     14.32629229     19.52627265      4.06954034
    C     19.34882043     23.16151033     19.54314199      3.29065022
    C     19.34448184     24.65524912     19.54494476      4.06881735
    C     15.72213054     19.55473346     19.58059657      3.28042116
    C     14.23873221     19.57389721     19.58105559      4.19678842
    C     22.98970005     19.45287738     19.51770126      3.28894804
    C     24.48392083     19.43596111     19.50901396      4.06985175
    H     13.36305309     17.21817675     17.34581078      0.75975502
    H     14.99082838     17.69153362     17.81758926      0.73786731
  107
Geometry Step: 17
   Zn      7.60070625      5.30567480      5.34881401     11.21458895
   Zn      5.31082891      7.62701741      5.33811956     11.21091479
   Zn      5.30483341      5.31140217      7.63389145     11.21030284
   Zn      7.58918930      7.64011392      7.66021292     11.21081317
   Zn     18.22759226     20.65937895     20.68994562     11.21471450
   Zn     20.49564082     18.32667598     20.70356673     11.20979597
   Zn     18.22989310     18.33021340     18.38185099     11.20919323
   Zn     20.50130438     20.66127721     18.38785221     11.20866254
    O      6.45328367      6.47498419      6.49617392      6.72860010
    O     19.36465746     19.48949609     19.53862196      6.72552900
    O      7.24674679      5.65956320      3.44281880      6.55459400
    C      7.20957339     18.74276290     13.76863554      4.06950472
    H      7.86277558     18.08523376     14.33809473      0.89632165
    O      5.65892181      7.28198932      3.43117191      6.55690878
    C     18.57414572      7.21748406     13.66012831      4.07002782
    H     17.92091379      7.88736926     14.21364029      0.89730857
    O      5.63717934      5.67546598      9.54798257      6.55738718
    C     18.54111700     18.60854127     12.28592460      4.06960278
    H     17.88391005     17.94867792     11.72395168      0.89762355
    O      7.23543238      7.29239035      9.56769818      6.55539479
    C      7.26431268      7.34698857     12.35133224      4.06989509
    H      7.92933562      8.00178755     11.79304759      0.89651036
    O      3.40293664      7.30306240      5.70457245      6.55608941
    C     13.58169895      7.29090943     18.68345541      4.06974008
    H     14.14579524      7.94436121     18.02186498      0.89724309
    O      3.39727255      5.69333050      7.30487995      6.55740575
    C     13.60519461     18.64888513      7.33452905      4.06971458
    H     14.16245926     17.98592723      7.99282700      0.89740389
    O      9.49587391      5.67701575      5.68418624      6.51910970
    N     12.07847183     18.78966654     18.75246839      5.35869003
    O      9.49189327      7.28644281      7.29025308      6.55900033
    C     12.28847191      7.35598602      7.34578698      4.16087636
    H     11.73642728      7.99585324      8.03033215      0.89188672
    O      5.64857776      3.40040526      7.29143183      6.55716965
    C     18.58667516     13.58773860      7.28779472      4.07000126
    H     17.92591547     14.14778614      7.94378240      0.89725591
    O      7.24520200      3.39993319      5.67771053      6.55223770
    C      7.20738210     13.77047364     18.73249489      4.06936772
    H      7.87122714     14.32992812     18.07722237      0.89643480
    O      5.64427612      9.54017676      5.69370013      6.55655401
    C     18.52722151     12.22645733     18.66269080      4.06957581
    H     17.87222228     11.66691428     17.99943441      0.89757773
    O      7.24400322      9.55382693      7.30818961      6.55633145
    C      7.27566532     12.34122489      7.36438656      4.06985161
    H      7.93557751     11.78177432      8.02315616      0.89648838
    O     18.56366068     20.30978148     22.59680990      6.55394511
    C     18.58454131      7.21189628     12.27029075      4.06985256
    H     17.93254846      7.87075314     11.70113502      0.89696687
    O     20.13499487     18.67194657     22.60725148      6.55770957
    C      7.21964271     18.73696402     12.37874343      4.07015135
    H      7.87338896     18.06866449     11.82403943      0.89758838
    O     18.54549990     18.67423712     16.46375998      6.56058998
    C     18.52523110     18.61147758     13.67606967      4.07078757
    H     17.86114539     17.95579513     14.23423461      0.89938282
    O     20.15454148     20.28089091     16.47846634      6.55641735
    C      7.24827291      7.34994281     13.74156256      4.06907841
    H      7.90612056      8.00980483     14.30301045      0.89753867
    O     20.14697370     16.41725395     20.33128391      6.55515290
    C      7.26244768     13.73141275      7.36519092      4.06907255
    H      7.91799967     14.29086790      8.02815699      0.89755830
    O     18.53696232     16.40753037     18.72652191      6.56226697
    C     18.51405467     13.61653119     18.66352762      4.07087369
    H     17.85505732     14.17601019     18.00402909      0.89952453
    O     18.56147237     22.56777455     20.35689968      6.55171609
    C     18.58630489     12.19792116      7.29202839      4.06958184
    H     17.92343467     11.63906946      7.94858663      0.89699752
    O     20.14581120     22.56818264     18.73174936      6.55815995
    C      7.20665761     12.38063251     18.73656413      4.07009061
    H      7.86799888     11.82008183     18.08169468      0.89749442
    O     16.33373235     18.76175757     18.76425163      6.60095563
    C     13.43574552     18.71273793     18.75341542      3.62730089
    N     13.98341221     17.74772292     17.94012336      5.42813032
    O     16.31804592     20.35286146     20.38212529      6.54789474
    C     13.67653134      7.30250539      7.32758777      4.03462923
    H     14.26003040      7.95607641      7.96910624      0.89488844
    O     22.39611885     18.65609232     20.32431141      6.55591518
    C     12.21503484     18.66835330      7.34496796      4.06985233
    H     11.65042185     18.01510673      8.00653482      0.89739426
    O     22.40197781     20.26657863     18.72304066      6.55720215
    C     12.19154438      7.31055460     18.69369750      4.06983594
    H     11.63375856      7.97346955     18.03557004      0.89753798
    C      6.45553046      6.46761883      2.84403711      3.28993478
    C      6.45774351      6.45658049      1.35026193      4.06832375
    C      6.42839763      6.48417221     10.14798375      3.28941627
    C      6.41038552      6.48741825     11.64114343      4.06783501
    C      2.80663736      6.50615644      6.51024694      3.28945783
    C      1.31141615      6.52381928      6.51972804      4.06878731
    C     10.08329152      6.48581487      6.47873000      3.31942181
    C     11.58148499      6.50024703      6.48121624      3.88375151
    C      6.44848985      2.80659792      6.48470033      3.29067439
    C      6.44813333      1.31291561      6.48036877      4.06797414
    C      6.43876159     10.13777102      6.50085906      3.28957985
    C      6.42439400     11.63138642      6.50246659      4.06751563
    C     19.34417342     19.49175085     23.19577065      3.28992310
    C     19.33652006     19.49814853     24.68867353      4.06933139
    C     19.35865645     19.47666785     15.87971400      3.28767095
    C     19.37762392     19.47208216     14.38680498      4.06944852
    C     19.34918349     15.81994224     19.52850687      3.28779132
    C     19.36417811     14.32689566     19.52610314      4.06954744
    C     19.34925308     23.16206946     19.54281601      3.29054137
    C     19.34533305     24.65533993     19.54394934      4.06867909
    C     15.72182366     19.55366764     19.58082150      3.28092948
    C     14.23669517     19.56864675     19.58067094      4.19768807
    C     22.99162783     19.45338961     19.51811843      3.28868358
    C     24.48575994     19.43555477     19.50862750      4.06972625
    H     13.36538999     17.21440560     17.34121305      0.75937962
    H     14.99145770     17.69289421     17.81952023      0.73775205
  107
Geometry Step: 18
   Zn      7.59984709      5.30557540      5.34957834     11.21441658
   Zn      5.31165473      7.62659878      5.33809994     11.21074004
   Zn      5.30472956      5.31097402      7.63403206     11.21017851
   Zn      7.58342620      7.63789939      7.65757233     11.21137446
   Zn     18.22499806     20.65986103     20.68828792     11.21434104
   Zn     20.49508479     18.32793628     20.70398955     11.20960950
   Zn     18.23253695     18.33546277     18.38581349     11.20950878
   Zn     20.50115893     20.66211875     18.38845576     11.20852042
    O      6.45007039      6.47227437      6.49524219      6.72736433
    O     19.36574733     19.49278706     19.54106157      6.72437381
    O      7.24528512      5.65831683      3.44152747      6.55508935
    C      7.20836479     18.74564884     13.76925200      4.06949341
    H      7.86018992     18.08791256     14.34098543      0.89626175
    O      5.65837128      7.28122998      3.43135348      6.55697827
    C     18.57803628      7.21606790     13.66007469      4.06988966
    H     17.92326903      7.88441215     14.21463210      0.89764878
    O      5.63784045      5.67325390      9.54739652      6.55736221
    C     18.54311781     18.60978412     12.28494649      4.06952622
    H     17.88561883     17.95046792     11.72208506      0.89781179
    O      7.23388689      7.29142112      9.56685676      6.55538067
    C      7.26367103      7.34565640     12.35247628      4.06977604
    H      7.92881346      8.00163732     11.79476397      0.89654214
    O      3.40214190      7.30099641      5.70319081      6.55664187
    C     13.58184702      7.28903427     18.68662783      4.06983506
    H     14.14689086      7.94183463     18.02524692      0.89738461
    O      3.39620146      5.69121483      7.30261018      6.55792515
    C     13.60558100     18.65209383      7.33231787      4.06959198
    H     14.16297322     17.98937342      7.99035220      0.89765985
    O      9.49382137      5.68263082      5.68308949      6.51934323
    N     12.07420570     18.78539507     18.75723711      5.35868020
    O      9.49187650      7.29320866      7.28933623      6.55901988
    C     12.28963704      7.35258310      7.34728845      4.16062620
    H     11.74281217      8.00253218      8.02460147      0.89170511
    O      5.64821055      3.40083378      7.29049679      6.55709825
    C     18.59057882     13.58738456      7.28607196      4.06967136
    H     17.92848479     14.14843420      7.94094936      0.89752376
    O      7.24445617      3.39952079      5.67724456      6.55248721
    C      7.20528978     13.77114953     18.73647995      4.06955597
    H      7.86702424     14.33310449     18.08114455      0.89650555
    O      5.64456202      9.53923089      5.69189510      6.55654200
    C     18.52931744     12.22534118     18.66439156      4.06964209
    H     17.87410108     11.66470405     18.00201331      0.89765814
    O      7.24272074      9.55284515      7.30705399      6.55593419
    C      7.27477003     12.34251734      7.36273388      4.06962296
    H      7.93426929     11.78392049      8.02286974      0.89656609
    O     18.56656417     20.31163133     22.59782948      6.55501292
    C     18.58607858      7.20833785     12.27024450      4.06981383
    H     17.93546164      7.86774658     11.69923943      0.89693474
    O     20.13583706     18.67194877     22.60779813      6.55761736
    C      7.21611307     18.73762544     12.37935544      4.06995993
    H      7.87176822     18.07068451     11.82418320      0.89792585
    O     18.54713111     18.67569698     16.46598034      6.56052988
    C     18.52563717     18.61263429     13.67512266      4.07062057
    H     17.86139275     17.95607405     14.23273564      0.89946949
    O     20.15426734     20.28330028     16.47915318      6.55652334
    C      7.24587377      7.34829604     13.74272752      4.06898988
    H      7.90373063      8.00754253     14.30519456      0.89771574
    O     20.14678372     16.41829277     20.33323840      6.55527337
    C      7.26000294     13.73260312      7.36315948      4.06908169
    H      7.91550647     14.29324908      8.02521476      0.89762207
    O     18.53731591     16.41033237     18.72877487      6.56253748
    C     18.51479532     13.61529037     18.66510111      4.07066039
    H     17.85620910     14.17387444     18.00452029      0.89972915
    O     18.56397069     22.56812339     20.35807055      6.55201548
    C     18.58862918     12.19753676      7.28755453      4.06969659
    H     17.92780222     11.63659123      7.94446867      0.89705260
    O     20.14679321     22.56834860     18.73205631      6.55791338
    C      7.20302676     12.38128543     18.73771504      4.06973539
    H      7.86603126     11.82029289     18.08377093      0.89776529
    O     16.33691427     18.76214405     18.76465010      6.60033645
    C     13.43179723     18.70551475     18.75705058      3.62670143
    N     13.98217021     17.75505326     17.92908749      5.42830115
    O     16.31481561     20.35377540     20.38212936      6.54763821
    C     13.67695764      7.29883779      7.32517409      4.03477280
    H     14.26457789      7.95426742      7.96398461      0.89513592
    O     22.39747100     18.65828328     20.32581585      6.55643227
    C     12.21550425     18.67013357      7.34175371      4.06993678
    H     11.64985794     18.01763425      8.00317117      0.89750970
    O     22.40345342     20.26878487     18.72547656      6.55777468
    C     12.19177696      7.30728182     18.69583776      4.06972680
    H     11.63377347      7.97002176     18.03807600      0.89778781
    C      6.45557067      6.46819756      2.84306759      3.28966198
    C      6.45789959      6.45716409      1.35018420      4.06828767
    C      6.42773544      6.48288287     10.14814244      3.28955760
    C      6.40939667      6.48710747     11.64138122      4.06772490
    C      2.80500868      6.50536319      6.50961247      3.28910450
    C      1.31038384      6.52424241      6.52013495      4.06860685
    C     10.08205192      6.48618869      6.48279256      3.31964854
    C     11.58047953      6.49332220      6.48756345      3.88335222
    C      6.44830323      2.80609094      6.48486956      3.29048601
    C      6.44743195      1.31335874      6.48152294      4.06787593
    C      6.43846597     10.13755051      6.49936839      3.28974260
    C      6.42406813     11.63101125      6.50179594      4.06742892
    C     19.34508853     19.49143478     23.19694291      3.28956224
    C     19.33706339     19.49730917     24.68918863      4.06929144
    C     19.35927085     19.47793646     15.88025852      3.28779888
    C     19.37837735     19.47199714     14.38697373      4.06931475
    C     19.34926908     15.82100469     19.52978712      3.28781117
    C     19.36441421     14.32763653     19.52628684      4.06950489
    C     19.35029296     23.16273502     19.54263005      3.29035374
    C     19.34649904     24.65513723     19.54249331      4.06852630
    C     15.72083795     19.55302248     19.57982894      3.28149493
    C     14.23394593     19.56231065     19.58088385      4.19856243
    C     22.99389478     19.45422776     19.51878451      3.28835207
    C     24.48744415     19.43507459     19.50817514      4.06950028
    H     13.36834316     17.21068720     17.33632980      0.75906874
    H     14.99138051     17.69450151     17.82186866      0.73772153
  107
Geometry Step: 19
   Zn      7.59894290      5.30671421      5.35058099     11.21453151
   Zn      5.31291251      7.62566027      5.33847990     11.21093020
   Zn      5.30464991      5.31106871      7.63390134     11.21033181
   Zn      7.57770633      7.63497310      7.65377924     11.21196268
   Zn     18.22301536     20.65965225     20.68663887     11.21416186
   Zn     20.49386059     18.32991938     20.70373456     11.20982662
   Zn     18.23665100     18.34141598     18.39061581     11.20985861
   Zn     20.50064301     20.66205344     18.38963136     11.20875173
    O      6.44704933      6.46966602      6.49452529      6.72544307
    O     19.36704452     19.49622849     19.54354698      6.72219976
    O      7.24428062      5.65646582      3.43923100      6.55544907
    C      7.20676786     18.74905985     13.76986565      4.06951905
    H      7.85713637     18.09112323     14.34354601      0.89622708
    O      5.65728188      7.28123071      3.43039506      6.55686727
    C     18.58227490      7.21450942     13.66034489      4.06981895
    H     17.92581748      7.88126223     14.21551443      0.89792363
    O      5.63844083      5.67056946      9.54750062      6.55735162
    C     18.54501227     18.61077555     12.28402650      4.06950119
    H     17.88765080     17.95252890     11.71984880      0.89785800
    O      7.23233587      7.29049830      9.56608875      6.55547499
    C      7.26257482      7.34404631     12.35372892      4.06961952
    H      7.92817861      8.00121525     11.79727049      0.89656463
    O      3.39988471      7.29949306      5.70107445      6.55716047
    C     13.58207673      7.28699310     18.69025621      4.06986769
    H     14.14790813      7.93908766     18.02884858      0.89750256
    O      3.39361992      5.68822692      7.30090386      6.55832274
    C     13.60617573     18.65567807      7.32993557      4.06958944
    H     14.16337098     17.99297016      7.98775671      0.89783990
    O      9.49151585      5.68846969      5.68264565      6.51931012
    N     12.06980742     18.77865347     18.76347343      5.35865704
    O      9.49129329      7.30009861      7.28879427      6.55870830
    C     12.29088217      7.34718354      7.34912805      4.16032591
    H     11.75039426      8.00991956      8.01796248      0.89170804
    O      5.64730548      3.40024524      7.29026417      6.55695948
    C     18.59435327     13.58694172      7.28416741      4.06950767
    H     17.93120420     14.14910256      7.93806041      0.89769535
    O      7.24441545      3.39802476      5.67636005      6.55292918
    C      7.20251616     13.77218520     18.74075028      4.06963195
    H      7.86263609     14.33614123     18.08535859      0.89654270
    O      5.64476703      9.53894633      5.68968400      6.55655685
    C     18.53119409     12.22436899     18.66587630      4.06965608
    H     17.87617943     11.66189352     18.00477432      0.89762398
    O      7.24140107      9.55188778      7.30608296      6.55554424
    C      7.27345633     12.34378730      7.36088466      4.06946507
    H      7.93300764     11.78683043      8.02252077      0.89664381
    O     18.56915296     20.31400654     22.59992524      6.55582629
    C     18.58804676      7.20423479     12.27025060      4.06980277
    H     17.93884713      7.86418849     11.69767664      0.89692639
    O     20.13726972     18.67109047     22.60940695      6.55735710
    C      7.21228415     18.73838538     12.37971315      4.06983747
    H      7.86999007     18.07281426     11.82453801      0.89820138
    O     18.54880404     18.67716518     16.46807289      6.56049466
    C     18.52638091     18.61401599     13.67424910      4.07041391
    H     17.86157478     17.95648176     14.23053814      0.89954708
    O     20.15405843     20.28615337     16.47943865      6.55656076
    C      7.24350440      7.34688451     13.74399328      4.06895617
    H      7.90100420      8.00499876     14.30779908      0.89775952
    O     20.14668275     16.41897078     20.33555692      6.55534030
    C      7.25770133     13.73384140      7.36129441      4.06903977
    H      7.91281135     14.29624897      8.02209555      0.89758207
    O     18.53745513     16.41323067     18.73116025      6.56266360
    C     18.51584204     13.61428536     18.66679210      4.07049505
    H     17.85712453     14.17105870     18.00490384      0.89992633
    O     18.56607861     22.56980451     20.35973725      6.55247174
    C     18.59165863     12.19683875      7.28276678      4.06971309
    H     17.93235208     11.63421570      7.94004092      0.89708479
    O     20.14837814     22.56945711     18.73157255      6.55761029
    C      7.19957074     12.38210009     18.73898288      4.06955093
    H      7.86393499     11.82052392     18.08584237      0.89793905
    O     16.33902109     18.76191557     18.76516202      6.60000848
    C     13.42781147     18.69918777     18.75999245      3.62623145
    N     13.98053966     17.76366414     17.91739614      5.42822385
    O     16.31010389     20.35437107     20.38221161      6.54786726
    C     13.67799359      7.29545425      7.32215307      4.03499354
    H     14.27022589      7.95209624      7.95832987      0.89516578
    O     22.40025762     18.65994607     20.32807910      6.55695521
    C     12.21602041     18.67209663      7.33807276      4.06995811
    H     11.64949005     18.02040324      7.99955057      0.89761173
    O     22.40633484     20.27186468     18.72740434      6.55825385
    C     12.19193035      7.30362537     18.69816302      4.06972962
    H     11.63401989      7.96638432     18.04072728      0.89796825
    C      6.45506416      6.46835828      2.84234820      3.28951416
    C      6.45833077      6.45784964      1.35006524      4.06827104
    C      6.42703851      6.48160143     10.14841977      3.28968969
    C      6.40780776      6.48625737     11.64202818      4.06766776
    C      2.80341446      6.50416208      6.50864065      3.28880759
    C      1.30937413      6.52474688      6.52058863      4.06850203
    C     10.08044468      6.48790948      6.48619757      3.32001691
    C     11.57953511      6.48566679      6.49334115      3.88302909
    C      6.44762279      2.80577621      6.48473175      3.29030250
    C      6.44687906      1.31367835      6.48311795      4.06789097
    C      6.43812621     10.13738860      6.49796951      3.28996884
    C      6.42317199     11.63097145      6.50037423      4.06733799
    C     19.34662942     19.49140909     23.19789432      3.28933276
    C     19.33746390     19.49637868     24.68979568      4.06926726
    C     19.36003498     19.47930555     15.88072341      3.28797984
    C     19.37975184     19.47237460     14.38687977      4.06926145
    C     19.34935349     15.82217982     19.53112292      3.28794842
    C     19.36523995     14.32825151     19.52709287      4.06945008
    C     19.35203078     23.16335069     19.54264533      3.29018102
    C     19.34761847     24.65513849     19.54055665      4.06851978
    C     15.71890472     19.55263522     19.57793747      3.28184369
    C     14.23098369     19.55533628     19.58230304      4.19910198
    C     22.99611578     19.45547405     19.51978494      3.28808737
    C     24.48918151     19.43449402     19.50764876      4.06936655
    H     13.37177102     17.20706747     17.33134208      0.75885426
    H     14.99046707     17.69620067     17.82449570      0.73781792
  107
Geometry Step: 20
   Zn      7.59824399      5.30846322      5.35114176     11.21475870
   Zn      5.31379927      7.62456759      5.33889130     11.21133832
   Zn      5.30419162      5.31137975      7.63367750     11.21064443
   Zn      7.57398710      7.63242232      7.65020687     11.21232948
   Zn     18.22186840     20.65915076     20.68593269     11.21410196
   Zn     20.49278438     18.33193837     20.70316629     11.21028219
   Zn     18.24077490     18.34604090     18.39455202     11.21009283
   Zn     20.50036470     20.66137269     18.39092056     11.20919345
    O      6.44510774      6.46795518      6.49417070      6.72375088
    O     19.36825963     19.49892835     19.54549102      6.72005066
    O      7.24382291      5.65471504      3.43702952      6.55543465
    C      7.20507804     18.75171042     13.77020193      4.06962873
    H      7.85448677     18.09401482     14.34491512      0.89620947
    O      5.65614067      7.28183300      3.42877513      6.55663336
    C     18.58536828      7.21310779     13.66090905      4.06979199
    H     17.92787742      7.87881899     14.21592437      0.89800864
    O      5.63877996      5.66813960      9.54831814      6.55736279
    C     18.54629626     18.61137666     12.28324979      4.06959427
    H     17.88946442     17.95428454     11.71796755      0.89773327
    O      7.23115111      7.28984141      9.56556701      6.55564448
    C      7.26121081      7.34264659     12.35487675      4.06945267
    H      7.92751122      8.00050128     11.79991019      0.89659497
    O      3.39717621      7.29881189      5.69898573      6.55737543
    C     13.58241519      7.28532844     18.69317701      4.06984719
    H     14.14848760      7.93693898     18.03160614      0.89752962
    O      3.39055299      5.68536042      7.30009283      6.55838399
    C     13.60682873     18.65840080      7.32804531      4.06971136
    H     14.16356781     17.99563448      7.98586778      0.89784553
    O      9.48938824      5.69293072      5.68309964      6.51914349
    N     12.06632453     18.77111984     18.76977983      5.35867409
    O      9.49029043      7.30491720      7.28859861      6.55819832
    C     12.29238488      7.34168434      7.35067982      4.16032143
    H     11.75679003      8.01586247      8.01232398      0.89189871
    O      5.64617081      3.39905828      7.29070661      6.55678790
    C     18.59676571     13.58667848      7.28245349      4.06953419
    H     17.93338545     14.14937652      7.93587473      0.89769555
    O      7.24492855      3.39617607      5.67548522      6.55332691
    C      7.19978273     13.77314942     18.74376875      4.06963899
    H      7.85930475     14.33813038     18.08872202      0.89649073
    O      5.64483960      9.53937618      5.68768160      6.55659203
    C     18.53238568     12.22365133     18.66686930      4.06969732
    H     17.87794171     11.65940979     18.00697488      0.89747167
    O      7.24033114      9.55121174      7.30553490      6.55529904
    C      7.27201465     12.34476281      7.35937594      4.06939480
    H      7.93211386     11.78968288      8.02213233      0.89670958
    O     18.57088370     20.31602542     22.60203100      6.55605735
    C     18.59007700      7.20107980     12.27040052      4.06986829
    H     17.94175825      7.86099697     11.69702382      0.89692488
    O     20.13870542     18.66980408     22.61139550      6.55701071
    C      7.20954711     18.73919681     12.37965093      4.06977945
    H      7.86850007     18.07444690     11.82510963      0.89829422
    O     18.55011784     18.67826116     16.46944069      6.56048940
    C     18.52736116     18.61517759     13.67358941      4.07021899
    H     17.86170500     17.95701309     14.22824301      0.89961578
    O     20.15399189     20.28865395     16.47921319      6.55653017
    C      7.24181927      7.34597155     13.74520649      4.06904476
    H      7.89871017      8.00292081     14.31003617      0.89763953
    O     20.14670166     16.41915725     20.33755531      6.55533260
    C      7.25614027     13.73499893      7.35996276      4.06904018
    H      7.91063051     14.29892844      8.01967413      0.89743666
    O     18.53740651     16.41540620     18.73305564      6.56262332
    C     18.51696261     13.61377616     18.66806582      4.07040544
    H     17.85753156     14.16840213     18.00510321      0.90007135
    O     18.56737296     22.57204751     20.36125504      6.55288794
    C     18.59462642     12.19618044      7.27934113      4.06968602
    H     17.93582710     11.63266608      7.93646805      0.89703476
    O     20.15004190     22.57092583     18.73054299      6.55732170
    C      7.19744779     12.38271189     18.74017733      4.06957477
    H      7.86220891     11.82092257     18.08738345      0.89794021
    O     16.33913891     18.76130133     18.76566659      6.60009305
    C     13.42474618     18.69609823     18.76079512      3.62605354
    N     13.97894588     17.77100589     17.90854906      5.42775704
    O     16.30551440     20.35448497     20.38209911      6.54863285
    C     13.67983774      7.29273167      7.31961210      4.03512144
    H     14.27496784      7.94993440      7.95328759      0.89494087
    O     22.40330964     18.66077638     20.33030010      6.55721192
    C     12.21633617     18.67372950      7.33509586      4.06992603
    H     11.64951532     18.02258731      7.99674000      0.89764070
    O     22.40949663     20.27479134     18.72843753      6.55839085
    C     12.19193367      7.30083982     18.70002942      4.06984477
    H     11.63442040      7.96365165     18.04267731      0.89798373
    C      6.45419511      6.46795687      2.84202067      3.28959419
    C      6.45892704      6.45874290      1.34943033      4.06834162
    C      6.42647551      6.48064433     10.14870297      3.28975780
    C      6.40623803      6.48517286     11.64294798      4.06769484
    C      2.80230283      6.50288676      6.50758054      3.28874801
    C      1.30819020      6.52522406      6.52101931      4.06855831
    C     10.07914742      6.49038457      6.48789780      3.32032809
    C     11.57913064      6.47946598      6.49700061      3.88288156
    C      6.44670964      2.80575492      6.48438232      3.29024971
    C      6.44671216      1.31335423      6.48479882      4.06806682
    C      6.43778059     10.13730831      6.49701273      3.29017310
    C      6.42208934     11.63138782      6.49869095      4.06728096
    C     19.34831031     19.49173629     23.19842509      3.28935045
    C     19.33757565     19.49531208     24.69081305      4.06932947
    C     19.36077006     19.48043264     15.88098820      3.28813555
    C     19.38117653     19.47306162     14.38650152      4.06931944
    C     19.34943044     15.82315162     19.53222268      3.28814021
    C     19.36626267     14.32848461     19.52821686      4.06941752
    C     19.35394182     23.16375253     19.54279885      3.29013197
    C     19.34828799     24.65578619     19.53857668      4.06870582
    C     15.71653332     19.55222518     19.57613326      3.28174757
    C     14.22894186     19.55012784     19.58458102      4.19919060
    C     22.99764351     19.45678964     19.52087185      3.28805662
    C     24.49093874     19.43394394     19.50713421      4.06941842
    H     13.37446884     17.20458807     17.32767475      0.75879570
    H     14.98904907     17.69757121     17.82670937      0.73796031
  107
Geometry Step: 21
   Zn      7.59785789      5.31008590      5.35102563     11.21484466
   Zn      5.31391236      7.62374996      5.33906778     11.21164370
   Zn      5.30326697      5.31160354      7.63361733     11.21085223
   Zn      7.57276963      7.63091046      7.64781049     11.21239951
   Zn     18.22124741     20.65878602     20.68636157     11.21397166
   Zn     20.49239158     18.33338148     20.70271616     11.21063309
   Zn     18.24363119     18.34847299     18.39677102     11.21016582
   Zn     20.50065986     20.66059653     18.39184715     11.20952025
    O      6.44429185      6.46730013      6.49410404      6.72287818
    O     19.36917904     19.50057681     19.54672479      6.71875854
    O      7.24352141      5.65366382      3.43582906      6.55521148
    C      7.20353359     18.75312848     13.77019278      4.06971384
    H      7.85277824     18.09597617     14.34498327      0.89623893
    O      5.65547606      7.28241333      3.42735954      6.55641931
    C     18.58679822      7.21206381     13.66150343      4.06983347
    H     17.92910272      7.87744089     14.21578473      0.89789879
    O      5.63885554      5.66643645      9.54935552      6.55742484
    C     18.54705025     18.61186539     12.28257429      4.06966932
    H     17.89070154     17.95535908     11.71685091      0.89760143
    O      7.23034921      7.28942061      9.56525895      6.55581333
    C      7.25994292      7.34177889     12.35587471      4.06939994
    H      7.92689287      7.99963378     11.80206004      0.89661277
    O      3.39521481      7.29854390      5.69765693      6.55732313
    C     13.58271395      7.28422607     18.69493204      4.06979967
    H     14.14852701      7.93568633     18.03311298      0.89750283
    O      3.38821383      5.68348607      7.29978837      6.55820743
    C     13.60726262     18.65985974      7.32685374      4.06982471
    H     14.16353494     17.99700591      7.98490441      0.89775184
    O      9.48765957      5.69541008      5.68406215      6.51898495
    N     12.06403669     18.76482137     18.77470909      5.35872434
    O      9.48943986      7.30704381      7.28850841      6.55774560
    C     12.29406342      7.33758457      7.35150201      4.16043857
    H     11.76083765      8.01931237      8.00846566      0.89218021
    O      5.64529554      3.39809328      7.29126876      6.55666029
    C     18.59766866     13.58669971      7.28113484      4.06968382
    H     17.93471258     14.14910737      7.93465960      0.89757629
    O      7.24540619      3.39494803      5.67510430      6.55364143
    C      7.19760499     13.77364016     18.74519005      4.06958094
    H      7.85741254     14.33884582     18.09076821      0.89643027
    O      5.64482904      9.54003638      5.68629086      6.55667589
    C     18.53305803     12.22315943     18.66756000      4.06968783
    H     17.87911572     11.65785175     18.00826043      0.89736305
    O      7.23950044      9.55087845      7.30533794      6.55521952
    C      7.27083305     12.34552505      7.35850569      4.06943619
    H      7.93164139     11.79183691      8.02171372      0.89673289
    O     18.57192601     20.31705093     22.60322250      6.55590327
    C     18.59189041      7.19942249     12.27066752      4.06992030
    H     17.94363459      7.85880972     11.69729588      0.89696472
    O     20.13957450     18.66882181     22.61288653      6.55673700
    C      7.20837118     18.73995898     12.37933451      4.06980599
    H      7.86755958     18.07534420     11.82581409      0.89819575
    O     18.55100906     18.67892085     16.47005824      6.56049750
    C     18.52830625     18.61584874     13.67306866      4.07015814
    H     17.86183132     17.95760624     14.22640800      0.89964220
    O     20.15402820     20.29031724     16.47879621      6.55649845
    C      7.24082123      7.34532821     13.74631264      4.06912673
    H      7.89727309      8.00173134     14.31145973      0.89751317
    O     20.14677729     16.41916233     20.33882065      6.55531096
    C      7.25523083     13.73601497      7.35902331      4.06901410
    H      7.90928816     14.30068562      8.01833177      0.89734093
    O     18.53734858     16.41663160     18.73428736      6.56249530
    C     18.51784953     13.61357224     18.66866762      4.07042241
    H     17.85749342     14.16651189     18.00518496      0.90012189
    O     18.56812445     22.57376484     20.36203571      6.55322814
    C     18.59699457     12.19591013      7.27767619      4.06962521
    H     17.93785000     11.63212880      7.93422258      0.89698118
    O     20.15121464     22.57193586     18.72960922      6.55714732
    C      7.19676288     12.38295057     18.74117919      4.06973208
    H      7.86110531     11.82153402     18.08821976      0.89781956
    O     16.33779184     18.76055055     18.76602965      6.60044820
    C     13.42277642     18.69619969     18.75993912      3.62606427
    N     13.97774751     17.77565222     17.90382617      5.42736859
    O     16.30251179     20.35419644     20.38168672      6.54950726
    C     13.68199611      7.29067261      7.31826120      4.03521379
    H     14.27777585      7.94806131      7.94959497      0.89455861
    O     22.40540186     18.66115131     20.33172336      6.55721505
    C     12.21646893     18.67484577      7.33328913      4.06986635
    H     11.64993157     18.02387349      7.99516599      0.89762832
    O     22.41175426     20.27668074     18.72892164      6.55826202
    C     12.19193238      7.29933837     18.70122687      4.06994268
    H     11.63489984      7.96220957     18.04368472      0.89790566
    C      6.45332859      6.46730918      2.84176605      3.28979930
    C      6.45953912      6.45965886      1.34821933      4.06844590
    C      6.42610484      6.48007837     10.14892661      3.28974147
    C      6.40511606      6.48417603     11.64380988      4.06775139
    C      2.80155617      6.50190063      6.50672962      3.28886675
    C      1.30681187      6.52553924      6.52137139      4.06870956
    C     10.07858571      6.49246052      6.48809662      3.32047354
    C     11.57935958      6.47576151      6.49866011      3.88293753
    C      6.44592566      2.80578958      6.48412572      3.29029131
    C      6.44690742      1.31241402      6.48605485      4.06828715
    C      6.43744207     10.13732961      6.49652614      3.29026902
    C      6.42116047     11.63202441      6.49726972      4.06727551
    C     19.34962451     19.49215870     23.19880484      3.28950726
    C     19.33741320     19.49430195     24.69222664      4.06943466
    C     19.36135258     19.48117426     15.88105559      3.28821291
    C     19.38221850     19.47382122     14.38606248      4.06940545
    C     19.34950749     15.82375948     19.53299169      3.28828248
    C     19.36711180     14.32844837     19.52925755      4.06941971
    C     19.35547294     23.16407549     19.54287027      3.29015718
    C     19.34844671     24.65699343     19.53710286      4.06895375
    C     15.71446992     19.55162678     19.57519939      3.28136031
    C     14.22804811     19.54764106     19.58635183      4.19896471
    C     22.99855722     19.45780662     19.52175183      3.28819378
    C     24.49263620     19.43357782     19.50670775      4.06957940
    H     13.37571154     17.20372390     17.32595390      0.75881141
    H     14.98775570     17.69850314     17.82817677      0.73800864
  107
Geometry Step: 22
   Zn      7.59760997      5.31160355      5.35044552     11.21470843
   Zn      5.31342712      7.62320253      5.33903849     11.21172208
   Zn      5.30189518      5.31171163      7.63382069     11.21084708
   Zn      7.57301078      7.63005456      7.64613037     11.21228518
   Zn     18.22061983     20.65863300     20.68756156     11.21364973
   Zn     20.49257305     18.33441670     20.70246565     11.21075564
   Zn     18.24550784     18.34971030     18.39802373     11.21015903
   Zn     20.50149594     20.65987281     18.39245384     11.20961906
    O      6.44390136      6.46721868      6.49416868      6.72259787
    O     19.36994765     19.50176860     19.54769704      6.71816332
    O      7.24291586      5.65317764      3.43543313      6.55495569
    C      7.20196641     18.75393782     13.76993388      4.06978995
    H      7.85158715     18.09739295     14.34421093      0.89629276
    O      5.65525883      7.28267632      3.42632958      6.55636220
    C     18.58748355      7.21106506     13.66201134      4.06983968
    H     17.92983884      7.87662087     14.21524967      0.89774282
    O      5.63879861      5.66509032      9.55034177      6.55750941
    C     18.54769352     18.61254335     12.28183186      4.06974098
    H     17.89167664     17.95603977     11.71621388      0.89750814
    O      7.22957998      7.28901808      9.56495507      6.55602041
    C      7.25863726      7.34112820     12.35695902      4.06939214
    H      7.92622797      7.99859088     11.80399486      0.89665900
    O      3.39402199      7.29813625      5.69696869      6.55720227
    C     13.58298292      7.28327905     18.69620763      4.06976242
    H     14.14815946      7.93480461     18.03400168      0.89746771
    O      3.38656460      5.68235649      7.29940479      6.55798514
    C     13.60750868     18.66078565      7.32588581      4.06988834
    H     14.16326869     17.99774936      7.98430945      0.89763780
    O      9.48601473      5.69684271      5.68517466      6.51889008
    N     12.06209804     18.75957249     18.77895468      5.35876652
    O      9.48902540      7.30779630      7.28834820      6.55738584
    C     12.29606713      7.33438128      7.35183119      4.16066618
    H     11.76379843      8.02132105      8.00511158      0.89243854
    O      5.64470062      3.39760827      7.29162411      6.55668008
    C     18.59803751     13.58696722      7.27981826      4.06979733
    H     17.93558147     14.14839343      7.93394693      0.89747137
    O      7.24551654      3.39449140      5.67529559      6.55395747
    C      7.19566032     13.77370683     18.74593402      4.06955476
    H      7.85610970     14.33878122     18.09222795      0.89638717
    O      5.64480123      9.54058090      5.68520706      6.55678443
    C     18.53366187     12.22268463     18.66828054      4.06971474
    H     17.88007341     11.65690755     18.00909322      0.89729894
    O      7.23858350      9.55071538      7.30525921      6.55528082
    C      7.26972879     12.34635331      7.35788585      4.06947062
    H      7.93132813     11.79367364      8.02116435      0.89675991
    O     18.57294123     20.31731352     22.60363950      6.55568249
    C     18.59372064      7.19852701     12.27104557      4.06996779
    H     17.94495664      7.85718199     11.69818911      0.89702440
    O     20.13996438     18.66828791     22.61384664      6.55661246
    C      7.20791360     18.74085410     12.37896559      4.06980955
    H      7.86695247     18.07584296     11.82668472      0.89805295
    O     18.55182908     18.67942932     16.47041126      6.56053996
    C     18.52932008     18.61632843     13.67248367      4.07015217
    H     17.86202056     17.95832464     14.22479297      0.89968052
    O     20.15410847     20.29154369     16.47847103      6.55648889
    C      7.24002106      7.34458498     13.74751459      4.06920995
    H      7.89625169      8.00105146     14.31242293      0.89742155
    O     20.14686686     16.41934938     20.33967618      6.55530298
    C      7.25445932     13.73712672      7.35807744      4.06903267
    H      7.90829454     14.30188168      8.01753030      0.89728915
    O     18.53738996     16.41745402     18.73530798      6.56238376
    C     18.51866626     13.61341576     18.66897255      4.07043090
    H     17.85725354     14.16501826     18.00529323      0.90015207
    O     18.56895390     22.57480239     20.36214997      6.55360520
    C     18.59913739     12.19603151      7.27675767      4.06960866
    H     17.93931153     11.63222752      7.93252551      0.89694126
    O     20.15198904     22.57235930     18.72897186      6.55712734
    C      7.19659790     12.38290218     18.74227508      4.06986448
    H      7.86033507     11.82240380     18.08868116      0.89771201
    O     16.33583422     18.75955722     18.76627003      6.60084712
    C     13.42112720     18.69770164     18.75846352      3.62616054
    N     13.97674766     17.77893978     17.90135544      5.42705486
    O     16.30082027     20.35365373     20.38102949      6.55027605
    C     13.68424137      7.28848905      7.31759685      4.03525639
    H     14.27961621      7.94618794      7.94656401      0.89421053
    O     22.40661818     18.66164021     20.33249245      6.55715125
    C     12.21651264     18.67583345      7.33195986      4.06981450
    H     11.65069939     18.02478162      7.99420206      0.89761273
    O     22.41322747     20.27779333     18.72946978      6.55806579
    C     12.19199853      7.29838204     18.70221354      4.06998586
    H     11.63555376      7.96139934     18.04430318      0.89781065
    C      6.45257727      6.46664344      2.84118434      3.28999410
    C      6.46006098      6.46062058      1.34655940      4.06851588
    C      6.42576387      6.47961020     10.14915168      3.28966890
    C      6.40438129      6.48334874     11.64454738      4.06777125
    C      2.80065215      6.50113439      6.50604661      3.28903217
    C      1.30513462      6.52570372      6.52167417      4.06882076
    C     10.07858271      6.49382770      6.48774583      3.32053333
    C     11.57996771      6.47312581      6.49950762      3.88303229
    C      6.44534005      2.80563263      6.48408088      3.29031940
    C      6.44718512      1.31111205      6.48697296      4.06844602
    C      6.43699093     10.13746718      6.49617127      3.29027943
    C      6.42045089     11.63272764      6.49620494      4.06727228
    C     19.35063854     19.49248628     23.19945534      3.28965831
    C     19.33720694     19.49327808     24.69397556      4.06951165
    C     19.36190702     19.48178232     15.88102472      3.28823417
    C     19.38289140     19.47451110     14.38571373      4.06944442
    C     19.34963132     15.82418021     19.53369915      3.28836709
    C     19.36768341     14.32838737     19.53004713      4.06941442
    C     19.35671774     23.16458754     19.54273264      3.29015684
    C     19.34847086     24.65854784     19.53599464      4.06914099
    C     15.71275430     19.55071799     19.57491826      3.28092528
    C     14.22757203     19.54689140     19.58713591      4.19869332
    C     22.99950482     19.45859935     19.52247523      3.28837459
    C     24.49449832     19.43337822     19.50633598      4.06970220
    H     13.37578792     17.20404624     17.32547062      0.75885844
    H     14.98667706     17.69936603     17.82932924      0.73792393
  107
Geometry Step: 23
   Zn      7.59729059      5.31331197      5.34948039     11.21433089
   Zn      5.31240460      7.62279764      5.33883955     11.21153838
   Zn      5.29990382      5.31175266      7.63435155     11.21058891
   Zn      7.57412875      7.62945861      7.64458443     11.21203726
   Zn     18.21964289     20.65869797     20.68947446     11.21304245
   Zn     20.49325760     18.33536681     20.70239896     11.21062939
   Zn     18.24694812     18.35060081     18.39900712     11.21012054
   Zn     20.50295823     20.65913280     18.39290259     11.20947316
    O      6.44341839      6.46742308      6.49431144      6.72265834
    O     19.37074979     19.50303541     19.54881639      6.71799815
    O      7.24168366      5.65300225      3.43541796      6.55478696
    C      7.19996109     18.75481418     13.76950521      4.06980952
    H      7.85045021     18.09875029     14.34274717      0.89639763
    O      5.65534814      7.28256619      3.42545776      6.55649365
    C     18.58817752      7.20981185     13.66244959      4.06983675
    H     17.93042060      7.87590573     14.21433658      0.89758454
    O      5.63865048      5.66361792      9.55131862      6.55764273
    C     18.54862336     18.61369858     12.28081516      4.06974699
    H     17.89273907     17.95660946     11.71571477      0.89749822
    O      7.22849001      7.28842853      9.56453094      6.55629679
    C      7.25706040      7.34042236     12.35848925      4.06944555
    H      7.92535927      7.99720058     11.80624928      0.89673620
    O      3.39320277      7.29723938      5.69667234      6.55713839
    C     13.58321528      7.28208000     18.69768255      4.06974380
    H     14.14741844      7.93380314     18.03483868      0.89745113
    O      3.38511563      5.68156199      7.29858502      6.55782070
    C     13.60760265     18.66186037      7.32465708      4.06987491
    H     14.16270891     17.99843587      7.98360743      0.89755177
    O      9.48411514      5.69795246      5.68634626      6.51884115
    N     12.05974818     18.75433118     18.78353685      5.35880881
    O      9.48928153      7.30816154      7.28806119      6.55707405
    C     12.29860732      7.33114297      7.35175373      4.16081368
    H     11.76701757      8.02283857      8.00092863      0.89268227
    O      5.64424309      3.39750002      7.29169092      6.55688386
    C     18.59859175     13.58745984      7.27809273      4.06986163
    H     17.93636629     14.14721146      7.93334327      0.89742788
    O      7.24514208      3.39468632      5.67609564      6.55442467
    C      7.19336718     13.77345445     18.74683869      4.06953787
    H      7.85466006     14.33821779     18.09379503      0.89640643
    O      5.64476274      9.54094657      5.68402159      6.55696642
    C     18.53460982     12.22208304     18.66934814      4.06971745
    H     17.88119082     11.65616701     18.00987919      0.89732044
    O      7.23721190      9.55066090      7.30515385      6.55544445
    C      7.26847708     12.34764609      7.35721525      4.06950125
    H      7.93095629     11.79579228      8.02032014      0.89679755
    O     18.57443266     20.31707483     22.60369639      6.55558192
    C     18.59607025      7.19763461     12.27152786      4.06996405
    H     17.94624394      7.85555939     11.69966306      0.89713931
    O     20.14008819     18.66810388     22.61458651      6.55663832
    C      7.20751152     18.74208234     12.37860805      4.06980835
    H      7.86644721     18.07623571     11.82786641      0.89790914
    O     18.55292965     18.68003498     16.47081010      6.56060917
    C     18.53057318     18.61685702     13.67158686      4.07020679
    H     17.86233577     17.95931586     14.22294196      0.89973411
    O     20.15424126     20.29280957     16.47831312      6.55653194
    C      7.23895081      7.34340292     13.74912956      4.06923489
    H      7.89520635      8.00053723     14.31336688      0.89740754
    O     20.14699186     16.41991659     20.34049874      6.55535757
    C      7.25334168     13.73862253      7.35672429      4.06903043
    H      7.90718773     14.30301119      8.01681312      0.89732022
    O     18.53758487     16.41828207     18.73656521      6.56230067
    C     18.51957636     13.61305132     18.66921958      4.07042676
    H     17.85692040     14.16340291     18.00553998      0.90017991
    O     18.57032067     22.57539586     20.36171286      6.55417448
    C     18.60170867     12.19650787      7.27565200      4.06961285
    H     17.94100770     11.63276288      7.93060630      0.89696298
    O     20.15261496     22.57237628     18.72857652      6.55726909
    C      7.19630874     12.38266503     18.74376634      4.06995546
    H      7.85960937     11.82366852     18.08903003      0.89766447
    O     16.33350481     18.75796576     18.76641653      6.60120660
    C     13.41905015     18.69960946     18.75703624      3.62621598
    N     13.97561786     17.78227403     17.89941068      5.42702692
    O     16.29991030     20.35280354     20.38009121      6.55086330
    C     13.68670007      7.28553890      7.31721875      4.03534778
    H     14.28158657      7.94390146      7.94340658      0.89392177
    O     22.40742490     18.66261464     20.33288790      6.55714351
    C     12.21658963     18.67709118      7.33041790      4.06977589
    H     11.65190911     18.02579857      7.99327738      0.89761857
    O     22.41443444     20.27854479     18.73048311      6.55791118
    C     12.19221119      7.29728129     18.70346187      4.06994581
    H     11.63656215      7.96064941     18.04500253      0.89774825
    C      6.45185174      6.46605573      2.83992656      3.29011279
    C      6.46055423      6.46157952      1.34438988      4.06848632
    C      6.42530860      6.47898529     10.14948109      3.28953763
    C      6.40373344      6.48248626     11.64526499      4.06773030
    C      2.79909135      6.50041227      6.50540026      3.28915514
    C      1.30295928      6.52567630      6.52194601      4.06882653
    C     10.07896904      6.49450326      6.48739815      3.32055606
    C     11.58083824      6.47036290      6.50045106      3.88313284
    C      6.44486132      2.80509006      6.48433662      3.29024969
    C      6.44743682      1.30951319      6.48761320      4.06848928
    C      6.43629145     10.13778834      6.49569860      3.29020630
    C      6.41973055     11.63351733      6.49525761      4.06725831
    C     19.35158398     19.49260524     23.20073750      3.28972349
    C     19.33703373     19.49224371     24.69617926      4.06950228
    C     19.36258844     19.48251448     15.88093902      3.28821654
    C     19.38345531     19.47527301     14.38548500      4.06940709
    C     19.34984193     15.82457735     19.53461662      3.28839726
    C     19.36814806     14.32846780     19.53073325      4.06938821
    C     19.35796034     23.16554653     19.54227511      3.29004522
    C     19.34859744     24.66046004     19.53512356      4.06921704
    C     15.71113130     19.54938360     19.57497115      3.28055852
    C     14.22685864     19.54700590     19.58666542      4.19845206
    C     23.00107070     19.45934872     19.52318842      3.28851976
    C     24.49683237     19.43337885     19.50598841      4.06971699
    H     13.37490870     17.20533901     17.32572442      0.75889913
    H     14.98562856     17.70052149     17.83059570      0.73768567
  107
Geometry Step: 24
   Zn      7.59672131      5.31506398      5.34826920     11.21379136
   Zn      5.31093189      7.62253828      5.33847070     11.21111039
   Zn      5.29743577      5.31173977      7.63518525     11.21010745
   Zn      7.57583531      7.62908646      7.64318872     11.21170831
   Zn     18.21830480     20.65906051     20.69187277     11.21221032
   Zn     20.49441329     18.33626843     20.70259026     11.21027734
   Zn     18.24788098     18.35137622     18.39986103     11.21008055
   Zn     20.50497547     20.65848904     18.39320413     11.20911213
    O      6.44260770      6.46781398      6.49453838      6.72295549
    O     19.37150971     19.50443098     19.55011480      6.71821339
    O      7.23983089      5.65297106      3.43539294      6.55475931
    C      7.19759731     18.75600419     13.76899924      4.06979654
    H      7.84928132     18.10011638     14.34077668      0.89652334
    O      5.65556806      7.28214248      3.42463063      6.55683762
    C     18.58930931      7.20826464     13.66274420      4.06977744
    H     17.93092718      7.87516087     14.21313681      0.89752306
    O      5.63840399      5.66195223      9.55220020      6.55778639
    C     18.54986493     18.61525611     12.27958390      4.06972797
    H     17.89397666     17.95716256     11.71525915      0.89754765
    O      7.22702966      7.28762885      9.56400562      6.55663775
    C      7.25526331      7.33953550     12.36044829      4.06949443
    H      7.92431063      7.99555012     11.80883974      0.89687176
    O      3.39254343      7.29583362      5.69665267      6.55720367
    C     13.58338832      7.28053767     18.69954517      4.06975278
    H     14.14638415      7.93252384     18.03582987      0.89747139
    O      3.38370538      5.68096331      7.29731629      6.55778114
    C     13.60756789     18.66332714      7.32305104      4.06980261
    H     14.16184014     17.99931368      7.98257695      0.89751841
    O      9.48223119      5.69879471      5.68729053      6.51884941
    N     12.05693507     18.74955084     18.78836525      5.35888981
    O      9.49049950      7.30860253      7.28773212      6.55683222
    C     12.30135384      7.32806173      7.35123232      4.16096446
    H     11.77074309      8.02396457      7.99577523      0.89279683
    O      5.64382921      3.39761208      7.29148294      6.55728502
    C     18.59977114     13.58811985      7.27593178      4.06981369
    H     17.93714167     14.14566982      7.93272922      0.89751160
    O      7.24429243      3.39543114      5.67743846      6.55500000
    C      7.19075097     13.77297947     18.74827527      4.06956754
    H      7.85284930     14.33728285     18.09563597      0.89649558
    O      5.64469122      9.54108565      5.68265401      6.55719386
    C     18.53594218     12.22137201     18.67069585      4.06976343
    H     17.88257497     11.65556916     18.01074880      0.89738456
    O      7.23534798      9.55076316      7.30500598      6.55569900
    C      7.26707909     12.34942516      7.35633583      4.06946571
    H      7.93043860     11.79828487      8.01915388      0.89687386
    O     18.57638400     20.31653833     22.60378551      6.55569407
    C     18.59887200      7.19646579     12.27204171      4.06993363
    H     17.94759363      7.85387154     11.70155834      0.89727826
    O     20.14012967     18.66816733     22.61528925      6.55681599
    C      7.20675732     18.74364383     12.37835238      4.06975538
    H      7.86600026     18.07662322     11.82928252      0.89786104
    O     18.55435047     18.68075078     16.47132890      6.56069504
    C     18.53203557     18.61757870     13.67038381      4.07025466
    H     17.86279301     17.96054689     14.22083407      0.89983938
    O     20.15446489     20.29419227     16.47836061      6.55662668
    C      7.23757231      7.34184005     13.75108876      4.06923357
    H      7.89400431      8.00005798     14.31439729      0.89744544
    O     20.14719482     16.42086688     20.34138509      6.55548833
    C      7.25182007     13.74047774      7.35501363      4.06906654
    H      7.90581031     14.30416717      8.01600455      0.89738560
    O     18.53791589     16.41913867     18.73810275      6.56227328
    C     18.52058927     13.61244892     18.66957996      4.07035377
    H     17.85661322     14.16158797     18.00599626      0.90024448
    O     18.57222878     22.57561790     20.36084939      6.55489897
    C     18.60470645     12.19726148      7.27395032      4.06966816
    H     17.94317452     11.63365284      7.92828125      0.89705126
    O     20.15320670     22.57221322     18.72838332      6.55755689
    C      7.19547677     12.38231031     18.74564421      4.06994153
    H      7.85888766     11.82525259     18.08935080      0.89774442
    O     16.33129544     18.75564849     18.76645969      6.60135872
    C     13.41650245     18.70088988     18.75626438      3.62619572
    N     13.97429326     17.78592678     17.89746676      5.42715722
    O     16.29971393     20.35165026     20.37898540      6.55115094
    C     13.68905913      7.28185149      7.31688347      4.03542792
    H     14.28410793      7.94134024      7.94033693      0.89384842
    O     22.40807629     18.66408760     20.33303405      6.55724707
    C     12.21672815     18.67869431      7.32847856      4.06976071
    H     11.65347666     18.02706738      7.99220404      0.89765902
    O     22.41559644     20.27908186     18.73196778      6.55786011
    C     12.19255158      7.29579668     18.70507223      4.06984420
    H     11.63793593      7.95973364     18.04598501      0.89774024
    C      6.45123814      6.46572433      2.83798553      3.29008335
    C      6.46086035      6.46229738      1.34209263      4.06832967
    C      6.42469482      6.47811037     10.14992564      3.28936536
    C      6.40317525      6.48167154     11.64591007      4.06762482
    C      2.79682556      6.49974835      6.50484355      3.28916299
    C      1.30057716      6.52537777      6.52205592      4.06866919
    C     10.07962780      6.49419599      6.48746893      3.32057096
    C     11.58175926      6.46712946      6.50165211      3.88311777
    C      6.44453842      2.80416926      6.48492413      3.29003698
    C      6.44748205      1.30798692      6.48783103      4.06837411
    C      6.43531558     10.13830773      6.49501212      3.29006144
    C      6.41903389     11.63431903      6.49454798      4.06721899
    C     19.35241184     19.49237891     23.20265033      3.28963651
    C     19.33707708     19.49141998     24.69846884      4.06937701
    C     19.36338526     19.48342568     15.88085374      3.28816747
    C     19.38389699     19.47601954     14.38544837      4.06928898
    C     19.35014813     15.82499159     19.53577939      3.28836805
    C     19.36844614     14.32877828     19.53120159      4.06932781
    C     19.35914380     23.16692040     19.54148147      3.28978630
    C     19.34904186     24.66236145     19.53462911      4.06913574
    C     15.70979115     19.54772553     19.57503105      3.28039456
    C     14.22563662     19.54769896     19.58484573      4.19840985
    C     23.00334569     19.46003675     19.52384478      3.28856233
    C     24.49937248     19.43366402     19.50580490      4.06956211
    H     13.37309155     17.20739970     17.32651492      0.75892477
    H     14.98455103     17.70205158     17.83200952      0.73731966
  107
Geometry Step: 25
   Zn      7.59578121      5.31644608      5.34703646     11.21329202
   Zn      5.30923133      7.62241720      5.33793851     11.21059425
   Zn      5.29492844      5.31166094      7.63612539     11.20957497
   Zn      7.57778342      7.62900759      7.64220487     11.21136215
   Zn     18.21690781     20.65977411     20.69430961     11.21137282
   Zn     20.49589591     18.33707665     20.70310122     11.20984973
   Zn     18.24817910     18.35201073     18.40049800     11.21003964
   Zn     20.50723353     20.65814029     18.39337947     11.20869501
    O      6.44147859      6.46831306      6.49485898      6.72337534
    O     19.37205244     19.50574947     19.55139099      6.71872137
    O      7.23780807      5.65283069      3.43490752      6.55486485
    C      7.19518349     18.75752770     13.76858950      4.06972174
    H      7.84815779     18.10140953     14.33871809      0.89665986
    O      5.65562926      7.28169813      3.42367682      6.55724431
    C     18.59093408      7.20666994     13.66287342      4.06973685
    H     17.93141046      7.87434877     14.21186853      0.89756737
    O      5.63803545      5.66024030      9.55293330      6.55791545
    C     18.55123423     18.61687921     12.27837617      4.06967131
    H     17.89528778     17.95771380     11.71478824      0.89762848
    O      7.22541538      7.28674718      9.56353458      6.55694926
    C      7.25359422      7.33855216     12.36252168      4.06953852
    H      7.92325832      7.99395012     11.81145992      0.89702870
    O      3.39174737      7.29429582      5.69669052      6.55736293
    C     13.58345694      7.27883830     18.70160045      4.06978565
    H     14.14529600      7.93105225     18.03699244      0.89752181
    O      3.38221116      5.68039428      7.29597854      6.55785167
    C     13.60745040     18.66509659      7.32122365      4.06970320
    H     14.16081325     18.00043966      7.98123327      0.89754894
    O      9.48090871      5.69920549      5.68773032      6.51889583
    N     12.05413544     18.74588594     18.79264674      5.35902107
    O      9.49265319      7.30929505      7.28753055      6.55670556
    C     12.30369622      7.32564568      7.35015806      4.16096004
    H     11.77449357      8.02465494      7.99053462      0.89278228
    O      5.64331424      3.39757419      7.29122254      6.55773595
    C     18.60158998     13.58879251      7.27369627      4.06971440
    H     17.93790517     14.14405773      7.93205267      0.89768334
    O      7.24328860      3.39635593      5.67896261      6.55552406
    C      7.18812504     13.77249720     18.75024706      4.06959282
    H      7.85083202     14.33620352     18.09759736      0.89666126
    O      5.64453968      9.54110665      5.68119427      6.55744436
    C     18.53747114     12.22071736     18.67206463      4.06979735
    H     17.88409792     11.65509346     18.01166287      0.89747946
    O      7.23327552      9.55108878      7.30487988      6.55595652
    C      7.26577464     12.35145809      7.35531507      4.06940768
    H      7.92980120     11.80091198      8.01782583      0.89696641
    O     18.57831869     20.31604936     22.60437291      6.55598751
    C     18.60176536      7.19497250     12.27242397      4.06985414
    H     17.94891635      7.85224325     11.70348191      0.89743273
    O     20.14034149     18.66821432     22.61618956      6.55702685
    C      7.20555828     18.74526116     12.37822718      4.06972079
    H      7.86557730     18.07707414     11.83067999      0.89791297
    O     18.55587305     18.68143871     16.47186857      6.56074401
    C     18.53342222     18.61844588     13.66908192      4.07029166
    H     17.86332998     17.96180798     14.21871467      0.89996234
    O     20.15482390     20.29557852     16.47850653      6.55676150
    C      7.23608112      7.34022332     13.75305598      4.06919021
    H      7.89271199      7.99956550     14.31550566      0.89751021
    O     20.14752261     16.42191148     20.34231306      6.55569656
    C      7.25009073     13.74237897      7.35324212      4.06908987
    H      7.90424880     14.30533520      8.01509485      0.89747042
    O     18.53826509     16.41984362     18.73967863      6.56227236
    C     18.52151762     13.61168561     18.67006495      4.07026018
    H     17.85644068     14.15975384     18.00662720      0.90032222
    O     18.57422184     22.57569050     20.35989570      6.55558829
    C     18.60778971     12.19805787      7.27165297      4.06972154
    H     17.94563338     11.63471972      7.92575091      0.89721875
    O     20.15388712     22.57229452     18.72821746      6.55786193
    C      7.19406081     12.38196976     18.74755752      4.06987243
    H      7.85819495     11.82688345     18.08970735      0.89791445
    O     16.32973278     18.75283101     18.76642032      6.60124150
    C     13.41387723     18.70091283     18.75664114      3.62607188
    N     13.97282349     17.78951079     17.89530949      5.42754339
    O     16.30001829     20.35028040     20.37790697      6.55109285
    C     13.69092715      7.27823612      7.31650327      4.03551926
    H     14.28710930      7.93895452      7.93792835      0.89398810
    O     22.40889951     18.66566856     20.33314082      6.55740917
    C     12.21692807     18.68043438      7.32635067      4.06977034
    H     11.65507930     18.02848849      7.99099407      0.89772184
    O     22.41692150     20.27958648     18.73350814      6.55789684
    C     12.19292860      7.29402376     18.70687372      4.06971857
    H     11.63944487      7.95862248     18.04722229      0.89779228
    C      6.45079080      6.46578134      2.83579039      3.28992825
    C      6.46092091      6.46242413      1.34021687      4.06807053
    C      6.42400329      6.47707689     10.15042028      3.28918915
    C      6.40265483      6.48093180     11.64642945      4.06750583
    C      2.79430542      6.49919098      6.50445190      3.28904813
    C      1.29855199      6.52477148      6.52186430      4.06839466
    C     10.08037725      6.49287366      6.48813480      3.32057420
    C     11.58252750      6.46384525      6.50300886      3.88301437
    C      6.44436171      2.80313421      6.48572792      3.28973977
    C      6.44729712      1.30695782      6.48749036      4.06813726
    C      6.43421552     10.13895065      6.49419917      3.28987581
    C      6.41832041     11.63502932      6.49406123      4.06717901
    C     19.35304336     19.49179292     23.20476848      3.28942612
    C     19.33736818     19.49115774     24.70030999      4.06915531
    C     19.36416019     19.48441126     15.88082156      3.28810562
    C     19.38427777     19.47672951     14.38559060      4.06914084
    C     19.35049309     15.82539688     19.53701373      3.28829040
    C     19.36864963     14.32928347     19.53150256      4.06925466
    C     19.36012523     23.16836980     19.54052208      3.28944321
    C     19.34979289     24.66378058     19.53467991      4.06893405
    C     15.70891630     19.54612499     19.57477071      3.28047339
    C     14.22402044     19.54852034     19.58218193      4.19856925
    C     23.00590514     19.46060750     19.52436227      3.28849278
    C     24.50154548     19.43427689     19.50594289      4.06928262
    H     13.37065000     17.20965021     17.32751692      0.75889236
    H     14.98342110     17.70376027     17.83334802      0.73692588
  107
Geometry Step: 26
   Zn      7.59438611      5.31725547      5.34584242     11.21297888
   Zn      5.30737792      7.62238552      5.33721357     11.21015781
   Zn      5.29257671      5.31148720      7.63701356     11.20916171
   Zn      7.57988686      7.62927381      7.64176314     11.21101142
   Zn     18.21572438     20.66085901     20.69662530     11.21069394
   Zn     20.49764272     18.33783112     20.70396641     11.20950810
   Zn     18.24787200     18.35242746     18.40084428     11.20997861
   Zn     20.50957467     20.65818432     18.39350913     11.20838644
    O      6.44014773      6.46892875      6.49531003      6.72386972
    O     19.37231318     19.50686003     19.55251421      6.71943829
    O      7.23599360      5.65237994      3.43371858      6.55496555
    C      7.19288271     18.75923789     13.76831722      4.06964163
    H      7.84706040     18.10267010     14.33677308      0.89677251
    O      5.65530749      7.28154299      3.42238291      6.55757303
    C     18.59298404      7.20510792     13.66290353      4.06970670
    H     17.93197139      7.87339704     14.21060684      0.89770715
    O      5.63751242      5.65853962      9.55362817      6.55797720
    C     18.55255502     18.61830359     12.27733399      4.06965242
    H     17.89666612     17.95832548     11.71425803      0.89766833
    O      7.22382538      7.28589471      9.56321359      6.55720113
    C      7.25216721      7.33747478     12.36445607      4.06953023
    H      7.92230051      7.99256110     11.81399451      0.89719650
    O      3.39052656      7.29300009      5.69655302      6.55750388
    C     13.58346138      7.27708076     18.70367822      4.06981822
    H     14.14429917      7.92946187     18.03831866      0.89758767
    O      3.38044977      5.67964560      7.29495488      6.55791227
    C     13.60733966     18.66700744      7.31929334      4.06963947
    H     14.15974937     18.00180952      7.97963451      0.89760865
    O      9.48039410      5.69910137      5.68771566      6.51899855
    N     12.05161012     18.74331928     18.79617656      5.35918865
    O      9.49549242      7.31013379      7.28754904      6.55666954
    C     12.30552901      7.32409370      7.34851743      4.16094964
    H     11.77785835      8.02498545      7.98587833      0.89267581
    O      5.64251230      3.39705203      7.29119567      6.55809658
    C     18.60389505     13.58940507      7.27155654      4.06959598
    H     17.93872426     14.14249321      7.93121908      0.89788812
    O      7.24246971      3.39713990      5.68038725      6.55582553
    C      7.18562908     13.77216069     18.75253461      4.06962168
    H      7.84873180     14.33509143     18.09959229      0.89685736
    O      5.64427640      9.54122468      5.67967408      6.55765920
    C     18.53897944     12.22019646     18.67325374      4.06987479
    H     17.88571638     11.65470152     18.01261908      0.89753151
    O      7.23120682      9.55164502      7.30487496      6.55618807
    C      7.26458660     12.35347428      7.35414445      4.06932351
    H      7.92909263     11.80358284      8.01644895      0.89707580
    O     18.57984466     20.31584586     22.60571612      6.55629782
    C     18.60455973      7.19328396     12.27264004      4.06977924
    H     17.95023162      7.85065470     11.70524383      0.89756298
    O     20.14091472     18.66797526     22.61752148      6.55714938
    C      7.20395979     18.74683688     12.37816447      4.06969803
    H      7.86508695     18.07768216     11.83195748      0.89805329
    O     18.55733907     18.68198856     16.47233490      6.56074364
    C     18.53464273     18.61946900     13.66788979      4.07027706
    H     17.86390232     17.96298581     14.21668077      0.90009935
    O     20.15535546     20.29691667     16.47858893      6.55688902
    C      7.23465772      7.33881254     13.75484378      4.06917399
    H      7.89132371      7.99898664     14.31670916      0.89753308
    O     20.14801067     16.42277105     20.34327403      6.55593733
    C      7.24836530     13.74417963      7.35163096      4.06915497
    H      7.90252580     14.30655432      8.01405732      0.89750146
    O     18.53851824     16.42029492     18.74111408      6.56226957
    C     18.52234818     13.61096661     18.67071927      4.07015117
    H     17.85641908     14.15798229     18.00737638      0.90041456
    O     18.57589861     22.57586119     20.35911594      6.55606100
    C     18.61081032     12.19873975      7.26898075      4.06977806
    H     17.94825178     11.63588100      7.92312374      0.89742036
    O     20.15480875     22.57296891     18.72783975      6.55805709
    C      7.19220646     12.38170419     18.74933830      4.06977833
    H      7.85748135     11.82845245     18.09019474      0.89812104
    O     16.32881562     18.74970548     18.76639402      6.60088739
    C     13.41148416     18.69979365     18.75793200      3.62597156
    N     13.97115225     17.79283272     17.89295336      5.42790819
    O     16.30049905     20.34868357     20.37688808      6.55089540
    C     13.69246932      7.27517984      7.31589605      4.03553955
    H     14.29039072      7.93685669      7.93632175      0.89427408
    O     22.41019432     18.66698118     20.33343589      6.55751588
    C     12.21712604     18.68220299      7.32421082      4.06978357
    H     11.65652687     18.02998256      7.98966804      0.89779122
    O     22.41863174     20.28027673     18.73470559      6.55790647
    C     12.19322999      7.29212590     18.70874251      4.06963397
    H     11.64092661      7.95733089     18.04865197      0.89786712
    C      6.45044362      6.46613147      2.83376606      3.28973332
    C      6.46071742      6.46198324      1.33888209      4.06780032
    C      6.42326915      6.47595266     10.15089080      3.28903502
    C      6.40214614      6.48024846     11.64688197      4.06742282
    C      2.79199004      6.49867363      6.50419657      3.28888295
    C      1.29705324      6.52391183      6.52129541      4.06810830
    C     10.08115877      6.49077493      6.48929738      3.32056227
    C     11.58319254      6.46065556      6.50419428      3.88282926
    C      6.44423427      2.80230067      6.48657302      3.28945841
    C      6.44692713      1.30647078      6.48673970      4.06788354
    C      6.43307235     10.13962711      6.49334678      3.28968762
    C      6.41757168     11.63569139      6.49370656      4.06715193
    C     19.35352384     19.49098641     23.20669350      3.28918153
    C     19.33791363     19.49144317     24.70159244      4.06892055
    C     19.36485689     19.48540647     15.88089067      3.28804486
    C     19.38463387     19.47742598     14.38581438      4.06902242
    C     19.35084202     15.82581660     19.53820581      3.28819199
    C     19.36880227     14.32986532     19.53173781      4.06918330
    C     19.36092478     23.16956767     19.53959428      3.28911728
    C     19.35078479     24.66465320     19.53514454      4.06871892
    C     15.70843157     19.54473070     19.57396011      3.28068180
    C     14.22232192     19.54930709     19.57954257      4.19887538
    C     23.00829856     19.46112426     19.52476545      3.28837909
    C     24.50317301     19.43516457     19.50648585      4.06898511
    H     13.36775198     17.21166013     17.32848161      0.75880415
    H     14.98206940     17.70551656     17.83447582      0.73659381
  107
Geometry Step: 27
   Zn      7.59242581      5.31751699      5.34459412     11.21287456
   Zn      5.30524511      7.62240423      5.33621221     11.20987253
   Zn      5.29028011      5.31117908      7.63781067     11.20894149
   Zn      7.58234714      7.62994284      7.64187451     11.21059507
   Zn     18.21489058     20.66235868     20.69897372     11.21018867
   Zn     20.49974354     18.33864207     20.70524888     11.20932315
   Zn     18.24704553     18.35256317     18.40087940     11.20985695
   Zn     20.51208123     20.65864919     18.39369138     11.20826395
    O      6.43866997      6.46975131      6.49595465      6.72447300
    O     19.37232883     19.50776743     19.55348735      6.72034603
    O      7.23447169      5.65151906      3.43175263      6.55496816
    C      7.19052473     18.76110369     13.76815385      4.06954502
    H      7.84587904     18.10403832     14.33488119      0.89687907
    O      5.65451852      7.28183631      3.42053753      6.55771592
    C     18.59540672      7.20351775     13.66292890      4.06974316
    H     17.93275622      7.87215352     14.20924372      0.89787354
    O      5.63677305      5.65675178      9.55445734      6.55797680
    C     18.55388648     18.61956194     12.27643629      4.06965003
    H     17.89820235     17.95906298     11.71359022      0.89766883
    O      7.22224663      7.28505771      9.56307151      6.55738227
    C      7.25094728      7.33627441     12.36625623      4.06949956
    H      7.92143507      7.99136808     11.81657885      0.89735093
    O      3.38865862      7.29208937      5.69611078      6.55752282
    C     13.58344502      7.27519398     18.70577512      4.06984131
    H     14.14340086      7.92770715     18.03986126      0.89764859
    O      3.37820847      5.67855328      7.29442249      6.55785454
    C     13.60729435     18.66904992      7.31717128      4.06962740
    H     14.15867452     18.00345523      7.97775701      0.89767726
    O      9.48062531      5.69843489      5.68748120      6.51917903
    N     12.04933846     18.74125150     18.79911769      5.35931667
    O      9.49891124      7.31086176      7.28778412      6.55671519
    C     12.30719431      7.32326869      7.34617374      4.16088644
    H     11.78074298      8.02507978      7.98194043      0.89258179
    O      5.64126323      3.39583502      7.29158845      6.55827090
    C     18.60659739     13.58997106      7.26943879      4.06952926
    H     17.93974435     14.14087660      7.93006448      0.89805480
    O      7.24200070      3.39767023      5.68168731      6.55584454
    C      7.18307073     13.77202308     18.75503887      4.06961876
    H      7.84651489     14.33391832     18.10168556      0.89707303
    O      5.64387531      9.54163144      5.67800277      6.55785144
    C     18.54048806     12.21982897     18.67433732      4.06993367
    H     17.88749440     11.65430826     18.01363733      0.89756072
    O      7.22909751      9.55244075      7.30505595      6.55637361
    C      7.26343771     12.35547953      7.35279950      4.06927027
    H      7.92833656     11.80643903      8.01501854      0.89718475
    O     18.58084881     20.31597031     22.60791682      6.55651115
    C     18.60744489      7.19142631     12.27271140      4.06969933
    H     17.95167437      7.84894833     11.70689140      0.89768595
    O     20.14192598     18.66730796     22.61948827      6.55709175
    C      7.20203148     18.74842709     12.37806065      4.06974299
    H      7.86439264     18.07859143     11.83319997      0.89821211
    O     18.55877477     18.68239031     16.47269368      6.56068208
    C     18.53571995     18.62067630     13.66684094      4.07024412
    H     17.86450452     17.96409577     14.21464133      0.90022099
    O     20.15610844     20.29826233     16.47850839      6.55700163
    C      7.23323742      7.33757933     13.75651313      4.06916681
    H      7.88975035      7.99826025     14.31813226      0.89751902
    O     20.14869891     16.42333315     20.34430448      6.55621408
    C      7.24659392     13.74593245      7.35008983      4.06920613
    H      7.90056003     14.30799271      8.01284553      0.89750037
    O     18.53863365     16.42049602     18.74241849      6.56221388
    C     18.52311920     13.61035909     18.67154671      4.07008269
    H     17.85649924     14.15621838     18.00822066      0.90049460
    O     18.57713897     22.57629100     20.35855861      6.55625951
    C     18.61399834     12.19927797      7.26601020      4.06980895
    H     17.95110002     11.63718244      7.92029667      0.89764927
    O     20.15610416     22.57444246     18.72707654      6.55806281
    C      7.19003768     12.38152000     18.75103576      4.06972737
    H      7.85662579     11.83006306     18.09094389      0.89829304
    O     16.32822326     18.74618756     18.76647312      6.60039148
    C     13.40925985     18.69805488     18.75988075      3.62595793
    N     13.96907277     17.79596001     17.89034940      5.42830546
    O     16.30095885     20.34669146     20.37578365      6.55077037
    C     13.69414042      7.27287869      7.31493336      4.03551710
    H     14.29391868      7.93481339      7.93533958      0.89454975
    O     22.41218562     18.66789109     20.33405528      6.55747008
    C     12.21728271     18.68407122      7.32206030      4.06979190
    H     11.65782173     18.03158955      7.98817297      0.89784787
    O     22.42094157     20.28131578     18.73539351      6.55778801
    C     12.19340076      7.29011307     18.71076518      4.06960486
    H     11.64236648      7.95582935     18.05028950      0.89794451
    C      6.45002450      6.46662184      2.83201796      3.28958765
    C      6.46034169      6.46107888      1.33777453      4.06757258
    C      6.42246947      6.47473390     10.15132517      3.28889202
    C      6.40150298      6.47942245     11.64738901      4.06741380
    C      2.79001325      6.49805749      6.50397358      3.28874573
    C      1.29582354      6.52278656      6.52032308      4.06790134
    C     10.08210027      6.48805275      6.49078134      3.32050189
    C     11.58399358      6.45753005      6.50509137      3.88267161
    C      6.44400106      2.80180725      6.48737468      3.28927183
    C      6.44648354      1.30626215      6.48574048      4.06769135
    C      6.43186522     10.14032367      6.49250155      3.28949156
    C      6.41660924     11.63641578      6.49320675      4.06716559
    C     19.35400077     19.49008917     23.20835078      3.28898440
    C     19.33864569     19.49217473     24.70263181      4.06872299
    C     19.36551320     19.48642548     15.88107512      3.28798214
    C     19.38510675     19.47831154     14.38602696      4.06897439
    C     19.35118694     15.82629493     19.53935383      3.28807846
    C     19.36905573     14.33047035     19.53216815      4.06913504
    C     19.36170608     23.17042990     19.53879300      3.28887826
    C     19.35194217     24.66527073     19.53584433      4.06857514
    C     15.70809056     19.54348024     19.57251437      3.28087072
    C     14.22076804     19.54995261     19.57739532      4.19920185
    C     23.01039822     19.46172508     19.52516504      3.28829766
    C     24.50451502     19.43633960     19.50745887      4.06876080
    H     13.36423585     17.21331869     17.32934018      0.75865121
    H     14.98024276     17.70733464     17.83535416      0.73634459
  107
Geometry Step: 28
   Zn      7.59009304      5.31729413      5.34339801     11.21294841
   Zn      5.30300171      7.62247997      5.33500066     11.20978240
   Zn      5.28825853      5.31074948      7.63840827     11.20895232
   Zn      7.58504303      7.63098520      7.64251751     11.21010416
   Zn     18.21462799     20.66405699     20.70117362     11.20989191
   Zn     20.50198445     18.33948192     20.70682660     11.20932380
   Zn     18.24583556     18.35235611     18.40061536     11.20966780
   Zn     20.51447569     20.65949152     18.39398323     11.20835337
    O      6.43728879      6.47077646      6.49676565      6.72515555
    O     19.37215996     19.50836410     19.55419145      6.72132009
    O      7.23338302      5.65038792      3.42938911      6.55480614
    C      7.18829966     18.76278691     13.76803529      4.06948930
    H      7.84465370     18.10544043     14.33320054      0.89695009
    O      5.65339866      7.28256051      3.41832869      6.55763741
    C     18.59787542      7.20197558     13.66299292      4.06980586
    H     17.93379208      7.87062211     14.20782535      0.89801977
    O      5.63587607      5.65505218      9.55539472      6.55788361
    C     18.55513483     18.62057122     12.27575982      4.06971060
    H     17.89982429     17.95990937     11.71286112      0.89761525
    O      7.22085318      7.28430942      9.56310108      6.55750951
    C      7.24999646      7.33501599     12.36766547      4.06943108
    H      7.92076120      7.99049595     11.81898033      0.89747639
    O      3.38635958      7.29169831      5.69541256      6.55737048
    C     13.58344397      7.27329669     18.70765001      4.06983457
    H     14.14269419      7.92594613     18.04145888      0.89769804
    O      3.37574556      5.67723148      7.29449838      6.55761667
    C     13.60734201     18.67095494      7.31502610      4.06967673
    H     14.15773167     18.00518325      7.97578773      0.89773006
    O      9.48141743      5.69723113      5.68733826      6.51946520
    N     12.04755586     18.73957627     18.80129509      5.35935983
    O      9.50233875      7.31103222      7.28816248      6.55683087
    C     12.30886328      7.32315946      7.34339232      4.16092229
    H     11.78269166      8.02495671      7.97925766      0.89255925
    O      5.63966005      3.39405973      7.29241408      6.55820555
    C     18.60932315     13.59043941      7.26746242      4.06951796
    H     17.94097849     14.13929646      7.92856023      0.89813804
    O      7.24197304      3.39792952      5.68279639      6.55556254
    C      7.18062081     13.77207904     18.75732045      4.06960853
    H      7.84440565     14.33278372     18.10366337      0.89724963
    O      5.64339269      9.54236439      5.67634803      6.55796434
    C     18.54181924     12.21963817     18.67527454      4.07001297
    H     17.88930232     11.65395710     18.01461905      0.89754000
    O      7.22714095      9.55332551      7.30545420      6.55651870
    C      7.26232610     12.35715578      7.35136346      4.06924029
    H      7.92764677     11.80922358      8.01369685      0.89728607
    O     18.58119829     20.31630871     22.61058751      6.55652426
    C     18.61018038      7.18973514     12.27270086      4.06966799
    H     17.95319784      7.84722507     11.70827399      0.89776453
    O     20.14319832     18.66630861     22.62187526      6.55684774
    C      7.20005294     18.74995394     12.37786319      4.06981747
    H      7.86346465     18.07983776     11.83434326      0.89834338
    O     18.56004716     18.68260224     16.47291995      6.56060232
    C     18.53659880     18.62200709     13.66612918      4.07018688
    H     17.86507253     17.96502984     14.21280816      0.90031686
    O     20.15700402     20.29944834     16.47828735      6.55705611
    C      7.23192174      7.33661440     13.75792057      4.06921618
    H      7.88807205      7.99740568     14.31965463      0.89745761
    O     20.14950741     16.42353482     20.34525198      6.55646637
    C      7.24495408     13.74750231      7.34870738      4.06928628
    H      7.89848417     14.30957150      8.01154676      0.89744534
    O     18.53858828     16.42049222     18.74345051      6.56210417
    C     18.52383821     13.61007248     18.67251683      4.07005414
    H     17.85664034     14.15467460     18.00905170      0.90055511
    O     18.57778027     22.57692502     20.35821542      6.55615490
    C     18.61714075     12.19964674      7.26322312      4.06983742
    H     17.95390857     11.63851907      7.91754066      0.89784326
    O     20.15763728     22.57653915     18.72598271      6.55785173
    C      7.18790022     12.38143205     18.75256163      4.06972183
    H      7.85562313     11.83162916     18.09199807      0.89838481
    O     16.32771168     18.74262058     18.76671145      6.59987637
    C     13.40747748     18.69647075     18.76180170      3.62611860
    N     13.96663406     17.79850782     17.88798831      5.42850180
    O     16.30130975     20.34443096     20.37459285      6.55091573
    C     13.69617433      7.27169400      7.31348323      4.03540776
    H     14.29712566      7.93280292      7.93493226      0.89469691
    O     22.41464110     18.66827550     20.33493247      6.55724087
    C     12.21734735     18.68592509      7.32014598      4.06977774
    H     11.65882436     18.03316886      7.98665753      0.89788641
    O     22.42357961     20.28259498     18.73544637      6.55749649
    C     12.19340079      7.28825038     18.71278714      4.06964220
    H     11.64358271      7.95428758     18.05197595      0.89799830
    C      6.44943940      6.46700263      2.83074082      3.28956356
    C      6.45986512      6.46007483      1.33667230      4.06746332
    C      6.42164726      6.47354666     10.15165839      3.28877518
    C      6.40078230      6.47846722     11.64797791      4.06747685
    C      2.78863662      6.49728797      6.50371357      3.28871138
    C      1.29469254      6.52155774      6.51906031      4.06785500
    C     10.08327142      6.48514048      6.49221534      3.32038180
    C     11.58512358      6.45473965      6.50542919      3.88257802
    C      6.44355714      2.80175252      6.48796728      3.28925330
    C      6.44608126      1.30607953      6.48486120      4.06763015
    C      6.43068849     10.14093919      6.49178838      3.28931657
    C      6.41551429     11.63720746      6.49247040      4.06721298
    C     19.35452960     19.48936803     23.20959056      3.28890958
    C     19.33946863     19.49302188     24.70365795      4.06862919
    C     19.36611710     19.48735989     15.88136551      3.28792478
    C     19.38565935     19.47937748     14.38612921      4.06900856
    C     19.35149751     15.82681848     19.54032751      3.28797486
    C     19.36939676     14.33097511     19.53288085      4.06911239
    C     19.36252060     23.17087330     19.53828927      3.28879941
    C     19.35309096     24.66586177     19.53643269      4.06856683
    C     15.70779030     19.54237631     19.57063696      3.28091205
    C     14.21976276     19.55040897     19.57638576      4.19944542
    C     23.01193170     19.46246711     19.52561128      3.28831320
    C     24.50573105     19.43763244     19.50874706      4.06869162
    H     13.36028027     17.21443484     17.33003177      0.75846275
    H     14.97794171     17.70900932     17.83581072      0.73622198
  107
Geometry Step: 29
   Zn      7.58797513      5.31686151      5.34254687     11.21306111
   Zn      5.30114559      7.62262432      5.33386471     11.20982093
   Zn      5.28693654      5.31030967      7.63870001     11.20910444
   Zn      7.58740891      7.63212117      7.64341829     11.20960506
   Zn     18.21501610     20.66543773     20.70276443     11.20976749
   Zn     20.50381352     18.34021041     20.70830065     11.20942098
   Zn     18.24463535     18.35193195     18.40024396     11.20945179
   Zn     20.51618673     20.66046689     18.39437623     11.20854776
    O      6.43632680      6.47180785      6.49755630      6.72575901
    O     19.37197082     19.50858392     19.55451898      6.72208151
    O      7.23274915      5.64940380      3.42744148      6.55457201
    C      7.18655628     18.76392042     13.76793108      4.06946454
    H      7.84357073     18.10661601     14.33206829      0.89698655
    O      5.65238272      7.28337299      3.41636743      6.55741688
    C     18.59981985      7.20073460     13.66308365      4.06989308
    H     17.93491938      7.86903640     14.20660257      0.89807016
    O      5.63503563      5.65378748      9.55619707      6.55774894
    C     18.55618715     18.62129429     12.27540529      4.06976926
    H     17.90125269     17.96071222     11.71223058      0.89757116
    O      7.21986988      7.28372587      9.56324976      6.55758408
    C      7.24946589      7.33396264     12.36845792      4.06937721
    H      7.92039898      7.99008073     11.82072835      0.89753453
    O      3.38430563      7.29172432      5.69475103      6.55712610
    C     13.58347974      7.27169605     18.70896079      4.06980895
    H     14.14230251      7.92448853     18.04278985      0.89772507
    O      3.37373104      5.67610353      7.29498860      6.55729953
    C     13.60745501     18.67234336      7.31322362      4.06975062
    H     14.15713794     18.00661636      7.97411277      0.89775863
    O      9.48229188      5.69579163      5.68757273      6.51980166
    N     12.04656832     18.73837233     18.80242315      5.35926306
    O      9.50487247      7.31034485      7.28852375      6.55701648
    C     12.31048182      7.32357201      7.34088814      4.16099912
    H     11.78340408      8.02464560      7.97819402      0.89263822
    O      5.63814314      3.39231609      7.29335298      6.55796849
    C     18.61146759     13.59071509      7.26592280      4.06957872
    H     17.94225477     14.13803932      7.92691600      0.89810361
    O      7.24223401      3.39800089      5.68367391      6.55515403
    C      7.17865316     13.77226412     18.75887246      4.06958157
    H      7.84279234     14.33194734     18.10513808      0.89734553
    O      5.64297489      9.54319665      5.67506374      6.55799045
    C     18.54280165     12.21965020     18.67606336      4.07003298
    H     17.89079621     11.65370798     18.01535747      0.89753036
    O      7.22563971      9.55402780      7.30594740      6.55660404
    C      7.26142164     12.35821265      7.35014451      4.06926378
    H      7.92717567     11.81137554      8.01275219      0.89734691
    O     18.58101075     20.31657032     22.61285659      6.55638767
    C     18.61231452      7.18857618     12.27266539      4.06967380
    H     17.95457115      7.84580319     11.70911251      0.89779640
    O     20.14426233     18.66540056     22.62401186      6.55653108
    C      7.19849678     18.75116154     12.37761089      4.06991872
    H      7.86245095     18.08124209     11.83519307      0.89837480
    O     18.56097633     18.68266059     16.47301957      6.56055261
    C     18.53712570     18.62318359     13.66584983      4.07015472
    H     17.86549569     17.96562952     14.21156994      0.90035049
    O     20.15781194     20.30021102     16.47810372      6.55705988
    C      7.23083174      7.33595629     13.75882686      4.06926474
    H      7.88657989      7.99657705     14.32097937      0.89741582
    O     20.15021865     16.42349293     20.34586479      6.55664608
    C      7.24365650     13.74859913      7.34758358      4.06931908
    H      7.89668268     14.31102494      8.01040864      0.89740679
    O     18.53845641     16.42041412     18.74408156      6.56196359
    C     18.52438671     13.61012977     18.67342171      4.07009141
    H     17.85679778     14.15370158     18.00969243      0.90056718
    O     18.57787901     22.57753347     20.35796541      6.55588996
    C     18.61973077     12.19982771      7.26123387      4.06985193
    H     17.95614918     11.63959011      7.91539990      0.89795543
    O     20.15896848     22.57857925     18.72494245      6.55752333
    C      7.18629765     12.38146182     18.75370446      4.06977974
    H      7.85462184     11.83288215     18.09321237      0.89835954
    O     16.32714185     18.73971114     18.76703722      6.59952246
    C     13.40637886     18.69583742     18.76300148      3.62637135
    N     13.96429185     17.79994150     17.88645590      5.42856393
    O     16.30156636     20.34239936     20.37348727      6.55132510
    C     13.69829788      7.27184025      7.31171946      4.03527894
    H     14.29926271      7.93105211      7.93498226      0.89463302
    O     22.41684296     18.66825536     20.33573828      6.55693785
    C     12.21730354     18.68747340      7.31881718      4.06975263
    H     11.65935796     18.03446076      7.98540787      0.89789879
    O     22.42581416     20.28370209     18.73504333      6.55715658
    C     12.19326732      7.28690372     18.71447851      4.06971188
    H     11.64431415      7.95302088     18.05340127      0.89802039
    C      6.44871051      6.46705283      2.82996410      3.28965941
    C      6.45948482      6.45938711      1.33547147      4.06747854
    C      6.42094426      6.47263422     10.15185507      3.28869233
    C      6.40010074      6.47750195     11.64854591      4.06758435
    C      2.78791570      6.49645815      6.50338480      3.28878510
    C      1.29355543      6.52051547      6.51784957      4.06796470
    C     10.08455968      6.48277259      6.49311984      3.32020991
    C     11.58651337      6.45285316      6.50521834      3.88262007
    C      6.44291509      2.80195818      6.48823461      3.28938844
    C      6.44588886      1.30571745      6.48444539      4.06768528
    C      6.42976292     10.14136091      6.49136126      3.28918707
    C      6.41447395     11.63791130      6.49150354      4.06728961
    C     19.35508370     19.48908715     23.21041698      3.28896801
    C     19.34013245     19.49361282     24.70479892      4.06864662
    C     19.36661361     19.48802398     15.88166375      3.28787488
    C     19.38621147     19.48048258     14.38608706      4.06910098
    C     19.35171831     15.82727946     19.54094924      3.28789861
    C     19.36979797     14.33128580     19.53385200      4.06912226
    C     19.36331253     23.17104233     19.53817687      3.28888084
    C     19.35391884     24.66656900     19.53661269      4.06867307
    C     15.70750011     19.54148892     19.56896401      3.28076671
    C     14.21955869     19.55048738     19.57667758      4.19951700
    C     23.01281251     19.46326796     19.52609106      3.28841801
    C     24.50691995     19.43873265     19.50999544      4.06877741
    H     13.35660640     17.21487471     17.33049443      0.75828744
    H     14.97557401     17.71016654     17.83568703      0.73621931
  107
Geometry Step: 30
   Zn      7.58631045      5.31654702      5.34213345     11.21307170
   Zn      5.29981797      7.62284740      5.33294110     11.20984017
   Zn      5.28630694      5.30993663      7.63875885     11.20923552
   Zn      7.58922131      7.63312981      7.64427451     11.20913581
   Zn     18.21585690     20.66627407     20.70367948     11.20968926
   Zn     20.50505699     18.34081763     20.70949056     11.20946918
   Zn     18.24367494     18.35153588     18.40001100     11.20925961
   Zn     20.51712643     20.66139613     18.39485618     11.20869037
    O      6.43574742      6.47274984      6.49822720      6.72619721
    O     19.37192087     19.50857293     19.55458589      6.72251754
    O      7.23224726      5.64880367      3.42625322      6.55439776
    C      7.18525507     18.76457438     13.76780865      4.06948354
    H      7.84260534     18.10754750     14.33148254      0.89698588
    O      5.65172529      7.28394348      3.41493114      6.55723402
    C     18.60129058      7.19970708     13.66314590      4.06992924
    H     17.93604430      7.86747551     14.20565511      0.89806510
    O      5.63434519      5.65295559      9.55672370      6.55759865
    C     18.55713474     18.62188589     12.27526246      4.06983393
    H     17.90250103     17.96146532     11.71174300      0.89755752
    O      7.21920367      7.28322819      9.56342864      6.55767332
    C      7.24921675      7.33310530     12.36877433      4.06932738
    H      7.92026925      7.98999031     11.82185675      0.89754622
    O      3.38282601      7.29180780      5.69434335      6.55694732
    C     13.58354413      7.27033758     18.70984671      4.06977092
    H     14.14217250      7.92328546     18.04385143      0.89774853
    O      3.37239199      5.67539963      7.29549177      6.55705494
    C     13.60755637     18.67328941      7.31173609      4.06981033
    H     14.15687983     18.00773123      7.97272695      0.89777695
    O      9.48288682      5.69433367      5.68824083      6.52014129
    N     12.04612288     18.73764963     18.80290347      5.35910814
    O      9.50639314      7.30893367      7.28880841      6.55725525
    C     12.31205775      7.32419087      7.33897945      4.16117416
    H     11.78336216      8.02416036      7.97811191      0.89273456
    O      5.63693509      3.39100239      7.29408973      6.55772509
    C     18.61311729     13.59081491      7.26468012      4.06963774
    H     17.94352223     14.13715215      7.92521359      0.89802508
    O      7.24246046      3.39806209      5.68451652      6.55482886
    C      7.17711966     13.77247999     18.75981168      4.06957048
    H      7.84158248     14.33147352     18.10616625      0.89735653
    O      5.64268927      9.54388595      5.67417589      6.55793113
    C     18.54353088     12.21974748     18.67682095      4.07004048
    H     17.89200045     11.65356735     18.01589661      0.89753331
    O      7.22448872      9.55445746      7.30641729      6.55668321
    C      7.26065220     12.35875367      7.34912818      4.06928604
    H      7.92687821     11.81289024      8.01213723      0.89738277
    O     18.58067430     20.31653732     22.61435345      6.55624894
    C     18.61388862      7.18787700     12.27266183      4.06972280
    H     17.95581396      7.84469633     11.70943375      0.89777906
    O     20.14488564     18.66489509     22.62559258      6.55630251
    C      7.19731346     18.75213180     12.37738836      4.06997182
    H      7.86145010     18.08270773     11.83573270      0.89835127
    O     18.56166492     18.68268989     16.47308410      6.56058550
    C     18.53740859     18.62419761     13.66587678      4.07013422
    H     17.86579935     17.96597851     14.21090095      0.90034622
    O     20.15844338     20.30057889     16.47814441      6.55703024
    C      7.22986348      7.33544994     13.75934910      4.06932418
    H      7.88526014      7.99578095     14.32205504      0.89741235
    O     20.15074994     16.42349552     20.34612475      6.55674187
    C      7.24260466     13.74932926      7.34660767      4.06934961
    H      7.89514140     14.31230356      8.00940694      0.89738881
    O     18.53835096     16.42041945     18.74446018      6.56185009
    C     18.52483095     13.61041772     18.67427590      4.07013640
    H     17.85698686     14.15326654     18.01017009      0.90055639
    O     18.57781297     22.57796952     20.35760272      6.55567684
    C     18.62179349     12.19991421      7.25994537      4.06987814
    H     17.95788222     11.64030995      7.91384604      0.89797478
    O     20.15991470     22.58013279     18.72423833      6.55722646
    C      7.18513486     12.38159680     18.75460884      4.06983239
    H      7.85367005     11.83380088     18.09450283      0.89829041
    O     16.32645042     18.73747277     18.76733236      6.59934014
    C     13.40581376     18.69610579     18.76333074      3.62663780
    N     13.96216936     17.80045170     17.88570326      5.42843534
    O     16.30188501     20.34080081     20.37251181      6.55183635
    C     13.70032490      7.27280589      7.30967931      4.03512739
    H     14.30045231      7.92953953      7.93523147      0.89447409
    O     22.41844605     18.66820523     20.33625462      6.55672997
    C     12.21720167     18.68878291      7.31793050      4.06972122
    H     11.65950849     18.03553831      7.98439989      0.89790677
    O     22.42736806     20.28441045     18.73459868      6.55692439
    C     12.19312106      7.28598978     18.71588434      4.06977379
    H     11.64460817      7.95201745     18.05460372      0.89802826
    C      6.44789889      6.46676359      2.82932253      3.28978099
    C      6.45922334      6.45917040      1.33410636      4.06755218
    C      6.42033517      6.47195526     10.15198718      3.28863592
    C      6.39955430      6.47663643     11.64904806      4.06767190
    C      2.78741229      6.49561556      6.50297411      3.28888455
    C      1.29226979      6.51972376      6.51683067      4.06812816
    C     10.08589406      6.48105379      6.49347030      3.32002945
    C     11.58805445      6.45171539      6.50470059      3.88270415
    C      6.44215300      2.80208000      6.48828926      3.28956706
    C      6.44587312      1.30514936      6.48451251      4.06776742
    C      6.42905120     10.14163644      6.49112614      3.28910242
    C      6.41362580     11.63848810      6.49044172      4.06735329
    C     19.35564202     19.48922499     23.21118599      3.28906863
    C     19.34062673     19.49379143     24.70613367      4.06871207
    C     19.36707410     19.48846806     15.88190530      3.28783062
    C     19.38667270     19.48150041     14.38595081      4.06918949
    C     19.35188606     15.82765177     19.54132033      3.28785092
    C     19.37014996     14.33144459     19.53492274      4.06913531
    C     19.36408637     23.17128518     19.53830704      3.28901882
    C     19.35444890     24.66742783     19.53635510      4.06879544
    C     15.70726072     19.54065234     19.56784913      3.28054262
    C     14.21985668     19.55021404     19.57775958      4.19948375
    C     23.01346864     19.46408950     19.52660660      3.28853008
    C     24.50824444     19.43956440     19.51105047      4.06891836
    H     13.35337224     17.21488315     17.33084012      0.75815646
    H     14.97331310     17.71080284     17.83505138      0.73628105
  107
Geometry Step: 31
   Zn      7.58478630      5.31650098      5.34207813     11.21292142
   Zn      5.29871869      7.62318450      5.33207885     11.20972958
   Zn      5.28609097      5.30959484      7.63869210     11.20925346
   Zn      7.59079999      7.63407788      7.64505941     11.20862263
   Zn     18.21710248     20.66670589     20.70418970     11.20953952
   Zn     20.50599857     18.34147780     20.71060403     11.20937629
   Zn     18.24288130     18.35129976     18.40004292     11.20908410
   Zn     20.51760879     20.66238211     18.39551661     11.20870501
    O      6.43526355      6.47376437      6.49886883      6.72650856
    O     19.37210688     19.50849629     19.55456262      6.72269488
    O      7.23146829      5.64849799      3.42552893      6.55437691
    C      7.18390238     18.76517286     13.76767538      4.06949941
    H      7.84146509     18.10851353     14.33123603      0.89697879
    O      5.65133927      7.28420527      3.41371062      6.55716521
    C     18.60283245      7.19856234     13.66315271      4.06993043
    H     17.93735773      7.86561854     14.20482589      0.89803715
    O      5.63365793      5.65223551      9.55704107      6.55745683
    C     18.55833089     18.62264659     12.27517851      4.06986547
    H     17.90392575     17.96236510     11.71124666      0.89760440
    O      7.21853221      7.28259448      9.56364911      6.55781580
    C      7.24905478      7.33222608     12.36899258      4.06928602
    H      7.92021730      7.99001549     11.82280937      0.89753204
    O      3.38162318      7.29165151      5.69418284      6.55692470
    C     13.58364442      7.26880442     18.71075406      4.06973437
    H     14.14219899      7.92191294     18.04499670      0.89777974
    O      3.37135775      5.67502035      7.29578733      6.55696419
    C     13.60761651     18.67421420      7.31009639      4.06984294
    H     14.15682695     18.00889201      7.97119105      0.89780552
    O      9.48319351      5.69262318      5.68937357      6.52049433
    N     12.04580540     18.73722050     18.80326955      5.35893593
    O      9.50748297      7.30681559      7.28911773      6.55756798
    C     12.31389805      7.32484923      7.33725807      4.16132214
    H     11.78320992      8.02339742      7.97824567      0.89282286
    O      5.63581248      3.38996851      7.29458678      6.55754387
    C     18.61492120     13.59081016      7.26328355      4.06969060
    H     17.94505449     14.13643883      7.92311235      0.89794345
    O      7.24244560      3.39819866      5.68567078      6.55467970
    C      7.17548639     13.77273354     18.76071652      4.06955082
    H      7.84028248     14.33127400     18.10717390      0.89732322
    O      5.64246883      9.54441414      5.67337170      6.55783157
    C     18.54436660     12.21986762     18.67784498      4.06999647
    H     17.89329932     11.65345706     18.01646588      0.89758625
    O      7.22322105      9.55476525      7.30686668      6.55678739
    C      7.25980514     12.35923273      7.34804386      4.06930218
    H      7.92657027     11.81428526      8.01156564      0.89740905
    O     18.58044541     20.31614555     22.61543992      6.55623412
    C     18.61549399      7.18719957     12.27267793      4.06977590
    H     17.95728853      7.84356501     11.70940122      0.89774707
    O     20.14518833     18.66481919     22.62694632      6.55620165
    C      7.19605443     18.75317776     12.37721948      4.06999286
    H      7.86030721     18.08449947     11.83608605      0.89830404
    O     18.56242517     18.68281546     16.47318043      6.56069922
    C     18.53761861     18.62528868     13.66597043      4.07012628
    H     17.86611321     17.96629719     14.21049266      0.90031642
    O     20.15904947     20.30078040     16.47852044      6.55701173
    C      7.22864278      7.33481221     13.75978211      4.06935780
    H      7.88373606      7.99481221     14.32319482      0.89747630
    O     20.15123323     16.42378335     20.34618880      6.55682042
    C      7.24135753     13.75001533      7.34540944      4.06934326
    H      7.89339870     14.31375195      8.00822066      0.89742322
    O     18.53834395     16.42057128     18.74487079      6.56175238
    C     18.52529284     13.61074364     18.67528191      4.07018074
    H     17.85729704     14.15311543     18.01069011      0.90053062
    O     18.57791580     22.57834077     20.35693031      6.55563798
    C     18.62399919     12.19999011      7.25868442      4.06989940
    H     17.95972867     11.64081869      7.91231784      0.89794430
    O     20.16069276     22.58140039     18.72385042      6.55699387
    C      7.18389062     12.38185313     18.75562973      4.06987499
    H      7.85256750     11.83461947     18.09609916      0.89822060
    O     16.32550975     18.73519472     18.76755116      6.59924001
    C     13.40533035     18.69689714     18.76316414      3.62685384
    N     13.95982906     17.80053040     17.88514996      5.42829997
    O     16.30247632     20.33934165     20.37145694      6.55234259
    C     13.70247103      7.27424318      7.30703869      4.03497690
    H     14.30143546      7.92793145      7.93553292      0.89430800
    O     22.41977101     18.66844008     20.33652524      6.55669977
    C     12.21707064     18.69026655      7.31703197      4.06969546
    H     11.65943828     18.03680685      7.98327686      0.89792052
    O     22.42862945     20.28482385     18.73436358      6.55687612
    C     12.19302631      7.28508795     18.71745985      4.06981358
    H     11.64465350      7.95092155     18.05599264      0.89804445
    C      6.44689724      6.46621104      2.82832033      3.28986007
    C      6.45903676      6.45923744      1.33230739      4.06761200
    C      6.41964736      6.47125134     10.15217995      3.28857345
    C      6.39900700      6.47569412     11.64957357      4.06773427
    C      2.78654829      6.49462300      6.50240251      3.28893768
    C      1.29049453      6.51893115      6.51579947      4.06827078
    C     10.08743818      6.47945993      6.49353299      3.31983552
    C     11.58988416      6.45087660      6.50408593      3.88280354
    C      6.44119716      2.80185892      6.48834196      3.28971834
    C      6.44597449      1.30433385      6.48484547      4.06780004
    C      6.42831819     10.14192284      6.49088847      3.28902066
    C      6.41276835     11.63905398      6.48912830      4.06741229
    C     19.35630103     19.48963968     23.21239270      3.28913956
    C     19.34107455     19.49371030     24.70793452      4.06876220
    C     19.36766515     19.48889887     15.88210403      3.28777518
    C     19.38715443     19.48262573     14.38577115      4.06925996
    C     19.35207818     15.82801465     19.54168264      3.28780674
    C     19.37051643     14.33158838     19.53623531      4.06914872
    C     19.36501192     23.17194183     19.53848452      3.28913733
    C     19.35489264     24.66857307     19.53580844      4.06886722
    C     15.70706542     19.53953342     19.56720846      3.28032590
    C     14.22025622     19.54952213     19.57914861      4.19941512
    C     23.01450841     19.46507273     19.52726338      3.28858606
    C     24.51007626     19.44038175     19.51211348      4.06903743
    H     13.34985920     17.21470371     17.33124225      0.75804388
    H     14.97073976     17.71113452     17.83384662      0.73635650
  107
Geometry Step: 32
   Zn      7.58325131      5.31685838      5.34241712     11.21259413
   Zn      5.29771117      7.62365704      5.33120585     11.20941582
   Zn      5.28618804      5.30927747      7.63852665     11.20909708
   Zn      7.59225983      7.63496547      7.64574709     11.20804563
   Zn     18.21878687     20.66675243     20.70437464     11.20926525
   Zn     20.50677422     18.34230838     20.71175384     11.20908172
   Zn     18.24224067     18.35134384     18.40045082     11.20893739
   Zn     20.51776937     20.66349608     18.39644612     11.20854120
    O      6.43471784      6.47497508      6.49951284      6.72667405
    O     19.37263826     19.50842892     19.55453576      6.72260977
    O      7.23013884      5.64841335      3.42506885      6.55457243
    C      7.18220046     18.76597516     13.76755882      4.06951268
    H      7.83991598     18.10971116     14.33128020      0.89696426
    O      5.65112286      7.28410784      3.41248527      6.55728772
    C     18.60485228      7.19705214     13.66307265      4.06986051
    H     17.93897744      7.86324601     14.20411437      0.89803830
    O      5.63286479      5.65144392      9.55716704      6.55731165
    C     18.55999791     18.62374854     12.27504075      4.06989060
    H     17.90580654     17.96358784     11.71065049      0.89769881
    O      7.21767829      7.28168085      9.56394666      6.55805675
    C      7.24882039      7.33116807     12.36933367      4.06922772
    H      7.92011880      7.98998952     11.82385339      0.89751022
    O      3.38049502      7.29105445      5.69424710      6.55714611
    C     13.58377644      7.26681672     18.71198567      4.06969534
    H     14.14236269      7.92005381     18.04646799      0.89783365
    O      3.37037556      5.67491931      7.29571784      6.55710211
    C     13.60758808     18.67537103      7.30800432      4.06984240
    H     14.15694368     18.01034712      7.96918436      0.89785485
    O      9.48326549      5.69039352      5.69099622      6.52082834
    N     12.04532158     18.73721850     18.80390607      5.35883920
    O      9.50846794      7.30397190      7.28961075      6.55794780
    C     12.31611822      7.32549624      7.33548105      4.16147626
    H     11.78342926      8.02216652      7.97811565      0.89284521
    O      5.63457529      3.38912077      7.29480382      6.55748583
    C     18.61738754     13.59074217      7.26141048      4.06970248
    H     17.94705701     14.13587040      7.92035282      0.89791274
    O      7.24203132      3.39841827      5.68735214      6.55476925
    C      7.17343607     13.77304250     18.76198748      4.06952808
    H      7.83852465     14.33137108     18.10846382      0.89724976
    O      5.64226197      9.54472985      5.67245382      6.55768064
    C     18.54552743     12.21992647     18.67930166      4.06994634
    H     17.89498789     11.65335587     18.01726380      0.89766935
    O      7.22153865      9.55506795      7.30730200      6.55696602
    C      7.25870815     12.35991532      7.34666842      4.06927532
    H      7.92607627     11.81588141      8.01080855      0.89744246
    O     18.58045923     20.31537174     22.61637216      6.55642547
    C     18.61749019      7.18627050     12.27269554      4.06983531
    H     17.95928235      7.84217832     11.70903842      0.89769921
    O     20.14528719     18.66522303     22.62829641      6.55627342
    C      7.19437336     18.75453270     12.37714506      4.06994813
    H      7.85893153     18.08681506     11.83623201      0.89828652
    O     18.56344164     18.68311501     16.47333030      6.56091222
    C     18.53790256     18.62663927     13.66600098      4.07010738
    H     17.86655654     17.96677015     14.21018036      0.90027908
    O     20.15975129     20.30094667     16.47933323      6.55700961
    C      7.22693368      7.33389208     13.76032958      4.06939104
    H      7.88171488      7.99349055     14.32459697      0.89759358
    O     20.15177306     16.42456196     20.34614192      6.55689203
    C      7.23963066     13.75090487      7.34378749      4.06934635
    H      7.89109310     14.31559327      8.00657067      0.89748646
    O     18.53849078     16.42088322     18.74548009      6.56168796
    C     18.52587864     13.61100751     18.67663790      4.07019079
    H     17.85785947     14.15312107     18.01144682      0.90050659
    O     18.57839847     22.57876760     20.35583204      6.55585432
    C     18.62675980     12.20010601      7.25699000      4.06992187
    H     17.96213878     11.64114261      7.91043493      0.89786644
    O     20.16149234     22.58250611     18.72378923      6.55685358
    C      7.18214738     12.38225543     18.75702590      4.06987329
    H      7.85117360     11.83542081     18.09818108      0.89820765
    O     16.32422328     18.73242359     18.76764365      6.59915163
    C     13.40471521     18.69788511     18.76264311      3.62699425
    N     13.95696820     17.80042008     17.88445674      5.42809107
    O     16.30354530     20.33788863     20.37019493      6.55274933
    C     13.70484016      7.27584670      7.30355498      4.03479909
    H     14.30271249      7.92608911      7.93580007      0.89425149
    O     22.42102968     18.66918545     20.33659873      6.55692732
    C     12.21694130     18.69220286      7.31581413      4.06967010
    H     11.65919063     18.03857996      7.98178437      0.89795536
    O     22.42986197     20.28500470     18.73451378      6.55708327
    C     12.19305710      7.28394032     18.71950390      4.06982488
    H     11.64451460      7.94947512     18.05788321      0.89808171
    C      6.44567059      6.46545388      2.82664129      3.28983830
    C      6.45885258      6.45946260      1.32995537      4.06761962
    C      6.41875705      6.47032547     10.15252408      3.28849894
    C      6.39842462      6.47462084     11.65019544      4.06775271
    C      2.78491512      6.49340583      6.50162024      3.28888116
    C      1.28803911      6.51795403      6.51459409      4.06834347
    C     10.08920351      6.47763703      6.49349494      3.31965973
    C     11.59203786      6.45011696      6.50338551      3.88283384
    C      6.44002630      2.80111380      6.48857065      3.28978377
    C      6.44612540      1.30330980      6.48525898      4.06773402
    C      6.42739712     10.14232271      6.49047353      3.28893216
    C      6.41183698     11.63970374      6.48753853      4.06745156
    C     19.35708219     19.49023302     23.21435655      3.28912669
    C     19.34159360     19.49346501     24.71033009      4.06876372
    C     19.36851530     19.48946872     15.88227486      3.28770928
    C     19.38768520     19.48392885     14.38556876      4.06929393
    C     19.35236797     15.82842372     19.54222438      3.28776406
    C     19.37087299     14.33178234     19.53781560      4.06914698
    C     19.36616811     23.17324170     19.53854138      3.28918115
    C     19.35541997     24.67003191     19.53510927      4.06884296
    C     15.70696955     19.53784727     19.56708686      3.28019983
    C     14.22043785     19.54841390     19.58056190      4.19938906
    C     23.01635293     19.46630098     19.52812439      3.28852805
    C     24.51262651     19.44136432     19.51334175      4.06908703
    H     13.34558443     17.21444943     17.33182712      0.75795133
    H     14.96755435     17.71119093     17.83186990      0.73642559
  107
Geometry Step: 33
   Zn      7.58199453      5.31762958      5.34313523     11.21219519
   Zn      5.29693933      7.62414360      5.33047408     11.20894321
   Zn      5.28652367      5.30905969      7.63827082     11.20878303
   Zn      7.59329125      7.63556195      7.64618119     11.20753802
   Zn     18.22061004     20.66640216     20.70421909     11.20891816
   Zn     20.50731265     18.34321524     20.71275531     11.20863633
   Zn     18.24193941     18.35173224     18.40119556     11.20885863
   Zn     20.51767148     20.66453946     18.39751696     11.20822763
    O      6.43416164      6.47621498      6.50000158      6.72661201
    O     19.37350821     19.50840284     19.55455278      6.72225007
    O      7.22841512      5.64844511      3.42476664      6.55499010
    C      7.18026217     18.76700919     13.76755797      4.06948546
    H      7.83811538     18.11103031     14.33164345      0.89696418
    O      5.65096270      7.28367779      3.41128382      6.55758641
    C     18.60714734      7.19537369     13.66293440      4.06975896
    H     17.94061673      7.86073520     14.20377991      0.89808103
    O      5.63203731      5.65063399      9.55711522      6.55721732
    C     18.56191765     18.62505414     12.27481873      4.06988503
    H     17.90792092     17.96499265     11.70999156      0.89781621
    O      7.21673600      7.28058759      9.56433479      6.55833880
    C      7.24844992      7.33011077     12.36994615      4.06916260
    H      7.91988616      7.98975993     11.82493822      0.89749334
    O      3.37946745      7.29005104      5.69443322      6.55760720
    C     13.58394157      7.26465264     18.71346503      4.06967143
    H     14.14266514      7.91788433     18.04810174      0.89789328
    O      3.36940364      5.67504612      7.29522493      6.55748522
    C     13.60746959     18.67663989      7.30573970      4.06981532
    H     14.15722849     18.01193655      7.96693045      0.89790585
    O      9.48320850      5.68784205      5.69275001      6.52100033
    N     12.04458843     18.73777712     18.80485641      5.35889921
    O      9.50932248      7.30101095      7.29038666      6.55828172
    C     12.31826740      7.32594111      7.33379301      4.16150082
    H     11.78434420      8.02056365      7.97750422      0.89279354
    O      5.63327373      3.38850651      7.29468826      6.55757109
    C     18.62030815     13.59068226      7.25929210      4.06969347
    H     17.94925087     14.13564485      7.91735244      0.89795714
    O      7.24122960      3.39859497      5.68927314      6.55511398
    C      7.17118197     13.77338415     18.76366447      4.06947247
    H      7.83641605     14.33183415     18.10999070      0.89717296
    O      5.64205235      9.54473740      5.67146981      6.55753013
    C     18.54693897     12.21986562     18.68098406      4.06987126
    H     17.89689442     11.65325176     18.01826479      0.89777583
    O      7.21961520      9.55543716      7.30762230      6.55719066
    C      7.25752168     12.36092809      7.34518927      4.06921592
    H      7.92533963     11.81753485      8.00983748      0.89747585
    O     18.58074015     20.31444317     22.61721156      6.55682381
    C     18.61974219      7.18507949     12.27265677      4.06985757
    H     17.96158299      7.84066783     11.70838104      0.89766812
    O     20.14533366     18.66603091     22.62957025      6.55650116
    C      7.19243644     18.75602701     12.37719214      4.06986975
    H      7.85757413     18.08929008     11.83603295      0.89831713
    O     18.56459434     18.68357461     16.47346211      6.56116022
    C     18.53830288     18.62802862     13.66581746      4.07007571
    H     17.86713375     17.96746063     14.20993493      0.90024554
    O     20.16051720     20.30114005     16.48043334      6.55704509
    C      7.22495419      7.33280952     13.76100823      4.06939831
    H      7.87945002      7.99198734     14.32611802      0.89773477
    O     20.15235941     16.42579111     20.34606661      6.55696360
    C      7.23757286     13.75196797      7.34197126      4.06933124
    H      7.88848534     14.31760787      8.00461465      0.89757494
    O     18.53880325     16.42122573     18.74625461      6.56165729
    C     18.52649068     13.61099840     18.67815443      4.07016875
    H     17.85868400     14.15321882     18.01245076      0.90048530
    O     18.57925715     22.57933382     20.35452777      6.55631548
    C     18.62977253     12.20024710      7.25487685      4.06990731
    H     17.96491868     11.64116702      7.90832966      0.89778144
    O     20.16235744     22.58335935     18.72405196      6.55682785
    C      7.18001684     12.38271710     18.75863164      4.06984721
    H      7.84968600     11.83602397     18.10042667      0.89827484
    O     16.32277616     18.72949413     18.76756960      6.59906300
    C     13.40389210     18.69862351     18.76208969      3.62696374
    N     13.95402557     17.80024853     17.88350413      5.42797484
    O     16.30500780     20.33668366     20.36890754      6.55289672
    C     13.70697176      7.27701771      7.29998762      4.03466211
    H     14.30437201      7.92441284      7.93585833      0.89436320
    O     22.42216646     18.67040552     20.33656894      6.55739820
    C     12.21683281     18.69432551      7.31434589      4.06965831
    H     11.65879325     18.04070602      7.98007399      0.89800035
    O     22.43105827     20.28501034     18.73510330      6.55754061
    C     12.19323651      7.28265591     18.72175200      4.06981198
    H     11.64421390      7.94781617     18.06008673      0.89812645
    C      6.44448942      6.46474931      2.82450623      3.28969418
    C      6.45869585      6.45961641      1.32752187      4.06755055
    C      6.41780851      6.46925281     10.15301216      3.28842041
    C      6.39788235      6.47359280     11.65082667      4.06773517
    C      2.78262449      6.49221169      6.50076931      3.28869406
    C      1.28534611      6.51684172      6.51334762      4.06830128
    C     10.09068895      6.47576409      6.49350942      3.31956470
    C     11.59397594      6.44965887      6.50268902      3.88279151
    C      6.43890535      2.79993039      6.48909654      3.28971715
    C      6.44628176      1.30235273      6.48542838      4.06755965
    C      6.42640011     10.14281840      6.48983929      3.28884225
    C      6.41093679     11.64036124      6.48597902      4.06747682
    C     19.35779362     19.49076751     23.21679160      3.28901121
    C     19.34210361     19.49325423     24.71285464      4.06870163
    C     19.36951228     19.49015698     15.88239390      3.28764494
    C     19.38820735     19.48519195     14.38541589      4.06929090
    C     19.35274079     15.82882773     19.54296530      3.28772648
    C     19.37117579     14.33203307     19.53937063      4.06914088
    C     19.36732396     23.17499973     19.53830241      3.28911160
    C     19.35599450     24.67148047     19.53461002      4.06870943
    C     15.70699916     19.53576460     19.56761623      3.28023912
    C     14.22010926     19.54714714     19.58144883      4.19941441
    C     23.01883973     19.46753848     19.52903676      3.28833947
    C     24.51544299     19.44245269     19.51459121      4.06903146
    H     13.34117300     17.21416630     17.33253649      0.75790106
    H     14.96425966     17.71084474     17.82925144      0.73646133
  107
Geometry Step: 34
   Zn      7.58134947      5.31855749      5.34400818     11.21192281
   Zn      5.29652152      7.62445622      5.33003741     11.20850765
   Zn      5.28691422      5.30900135      7.63794875     11.20846470
   Zn      7.59365640      7.63572001      7.64632442     11.20725345
   Zn     18.22212992     20.66582566     20.70384258     11.20864674
   Zn     20.50760217     18.34398165     20.71339542     11.20823255
   Zn     18.24202471     18.35228721     18.40197183     11.20885989
   Zn     20.51749375     20.66525163     18.39845173     11.20792378
    O      6.43378335      6.47722486      6.50018844      6.72635131
    O     19.37448991     19.50836822     19.55458949      6.72175963
    O      7.22685427      5.64840726      3.42451447      6.55544539
    C      7.17852396     18.76799746     13.76769753      4.06943953
    H      7.83647614     18.11218327     14.33221848      0.89697742
    O      5.65067655      7.28317530      3.41021993      6.55792435
    C     18.60912849      7.19394763     13.66282181      4.06964996
    H     17.94183916      7.85873731     14.20398544      0.89816129
    O      5.63132722      5.64999447      9.55699999      6.55718780
    C     18.56355229     18.62619382     12.27453558      4.06988347
    H     17.90976315     17.96624370     11.70941442      0.89788294
    O      7.21599760      7.27962431      9.56475246      6.55856537
    C      7.24793911      7.32932940     12.37071240      4.06910088
    H      7.91950147      7.98926666     11.82585922      0.89748800
    O      3.37861111      7.28903466      5.69450458      6.55811537
    C     13.58410611      7.26289082     18.71482166      4.06965576
    H     14.14306270      7.91592931     18.04946744      0.89793951
    O      3.36849929      5.67521747      7.29456630      6.55793933
    C     13.60729884     18.67767388      7.30389848      4.06978132
    H     14.15762024     18.01323969      7.96498971      0.89793377
    O      9.48324285      5.68543715      5.69412771      6.52092178
    N     12.04371379     18.73884991     18.80583990      5.35912026
    O      9.50986823      7.29871646      7.29139432      6.55843643
    C     12.31979145      7.32607332      7.33244074      4.16143907
    H     11.78577819      8.01893977      7.97666631      0.89271105
    O      5.63204087      3.38810566      7.29439212      6.55772639
    C     18.62294915     13.59072428      7.25747407      4.06967331
    H     17.95109662     14.13588025      7.91488565      0.89806084
    O      7.24035537      3.39861240      5.69081317      6.55552787
    C      7.16929180     13.77367163     18.76534978      4.06940349
    H      7.83441085     14.33255468     18.11145980      0.89711279
    O      5.64184111      9.54450890      5.67061306      6.55741009
    C     18.54823831     12.21966489     18.68239197      4.06983382
    H     17.89857961     11.65317300     18.01926593      0.89783832
    O      7.21796359      9.55586617      7.30777683      6.55741335
    C      7.25650856     12.36204989      7.34394927      4.06913680
    H      7.92446446     11.81888156      8.00879447      0.89750281
    O     18.58106345     20.31376553     22.61795682      6.55723850
    C     18.62174671      7.18395325     12.27255838      4.06984884
    H     17.96365635      7.83936888     11.70761657      0.89766069
    O     20.14554675     18.66690511     22.63061157      6.55676301
    C      7.19074506     18.75730519     12.37731203      4.06977729
    H      7.85658986     18.09130280     11.83547795      0.89839759
    O     18.56554114     18.68403602     16.47349216      6.56135249
    C     18.53881261     18.62910088     13.66547184      4.07003314
    H     17.86775962     17.96829863     14.20976198      0.90022787
    O     20.16123287     20.30134653     16.48141688      6.55709310
    C      7.22326020      7.33188833     13.76172106      4.06940928
    H      7.87750878      7.99069070     14.32739946      0.89781813
    O     20.15291953     16.42708377     20.34603011      6.55700242
    C      7.23571330     13.75301768      7.34049770      4.06934500
    H      7.88620675     14.31929937      8.00281924      0.89762472
    O     18.53917184     16.42140550     18.74695550      6.56166217
    C     18.52700574     13.61073078     18.67947462      4.07011907
    H     17.85961651     14.15334614     18.01353838      0.90047501
    O     18.58014888     22.57999646     20.35348370      6.55680250
    C     18.63228791     12.20039465      7.25285218      4.06986171
    H     17.96745696     11.64088942      7.90644163      0.89771177
    O     20.16327523     22.58391847     18.72444176      6.55686806
    C      7.17803146     12.38306098     18.76003991      4.06981042
    H      7.84846101     11.83624795     18.10226654      0.89840275
    O     16.32150323     18.72713370     18.76742781      6.59899478
    C     13.40304703     18.69887528     18.76170997      3.62680620
    N     13.95169559     17.80004678     17.88259201      5.42788335
    O     16.30648500     20.33595030     20.36789286      6.55280596
    C     13.70839230      7.27721871      7.29746902      4.03457359
    H     14.30604280      7.92339424      7.93558471      0.89461125
    O     22.42307357     18.67166754     20.33664189      6.55790659
    C     12.21676287     18.69606735      7.31299078      4.06964987
    H     11.65831573     18.04267552      7.97859009      0.89804283
    O     22.43210583     20.28500846     18.73585133      6.55804268
    C     12.19351000      7.28157933     18.72361547      4.06979063
    H     11.64381737      7.94637406     18.06206304      0.89815724
    C      6.44371818      6.46435544      2.82264984      3.28949884
    C      6.45855759      6.45956133      1.32572371      4.06745768
    C      6.41707191      6.46829027     10.15350330      3.28836834
    C      6.39751563      6.47287597     11.65132843      4.06769658
    C      2.78041954      6.49138876      6.50009216      3.28845793
    C      1.28322562      6.51581304      6.51231318      4.06819227
    C     10.09138491      6.47424575      6.49366085      3.31959420
    C     11.59510773      6.44971275      6.50192153      3.88267690
    C      6.43817638      2.79880400      6.48982375      3.28956994
    C      6.44637298      1.30176981      6.48517973      4.06736866
    C      6.42556960     10.14327763      6.48910837      3.28878100
    C      6.41028174     11.64090156      6.48491824      4.06747957
    C     19.35818666     19.49102172     23.21887475      3.28886004
    C     19.34249860     19.49320502     24.71476970      4.06862841
    C     19.37038051     19.49080574     15.88246880      3.28760685
    C     19.38860057     19.48608705     14.38536709      4.06926352
    C     19.35311790     15.82915309     19.54374753      3.28771101
    C     19.37133873     14.33227573     19.54045684      4.06913071
    C     19.36812960     23.17656483     19.53777796      3.28898295
    C     19.35650739     24.67249321     19.53456699      4.06854906
    C     15.70709757     19.53381742     19.56859853      3.28039718
    C     14.21937199     19.54629706     19.58159902      4.19947053
    C     23.02115677     19.46843631     19.52974658      3.28810601
    C     24.51767433     19.44342977     19.51560566      4.06892848
    H     13.33766339     17.21390850     17.33322439      0.75791713
    H     14.96167510     17.71007204     17.82649328      0.73647333
  107
Geometry Step: 35
   Zn      7.58126143      5.31943057      5.34486615     11.21184552
   Zn      5.29632024      7.62454473      5.32981168     11.20822571
   Zn      5.28721900      5.30907292      7.63754671     11.20825661
   Zn      7.59351497      7.63557454      7.64635133     11.20715901
   Zn     18.22336327     20.66521200     20.70341212     11.20850981
   Zn     20.50781259     18.34458013     20.71375630     11.20798092
   Zn     18.24234620     18.35278856     18.40255088     11.20889670
   Zn     20.51742648     20.66565890     18.39919193     11.20774178
    O      6.43365823      6.47802823      6.50010934      6.72600061
    O     19.37545259     19.50824115     19.55458576      6.72127799
    O      7.22570086      5.64817994      3.42421163      6.55580835
    C      7.17703688     18.76880019     13.76794470      4.06937495
    H      7.83507020     18.11313462     14.33290117      0.89701258
    O      5.65013509      7.28280389      3.40919224      6.55816664
    C     18.61059936      7.19288057     13.66280833      4.06958857
    H     17.94265245      7.85728111     14.20462624      0.89822427
    O      5.63072083      5.64956533      9.55694949      6.55721725
    C     18.56478065     18.62707950     12.27424920      4.06987606
    H     17.91123390     17.96725677     11.70891684      0.89789181
    O      7.21555773      7.27887636      9.56518706      6.55868358
    C      7.24729959      7.32885364     12.37154536      4.06905660
    H      7.91899616      7.98854575     11.82659771      0.89749114
    O      3.37779418      7.28827257      5.69429863      6.55850203
    C     13.58429492      7.26163578     18.71591951      4.06964927
    H     14.14354631      7.91431236     18.05045904      0.89795870
    O      3.36759208      5.67527535      7.29401405      6.55829839
    C     13.60715486     18.67838425      7.30257235      4.06975990
    H     14.15807888     18.01415058      7.96347336      0.89792853
    O      9.48351783      5.68317373      5.69513511      6.52065365
    N     12.04279955     18.74021321     18.80650901      5.35938700
    O      9.51008472      7.29699512      7.29258018      6.55842431
    C     12.32076845      7.32596416      7.33128189      4.16128966
    H     11.78740462      8.01741220      7.97601152      0.89267765
    O      5.63080111      3.38772835      7.29411123      6.55783727
    C     18.62504031     13.59092087      7.25609930      4.06968684
    H     17.95255274     14.13649732      7.91303337      0.89815613
    O      7.23964632      3.39848666      5.69180278      6.55584854
    C      7.16783812     13.77388317     18.76684482      4.06931661
    H      7.83261997     14.33341534     18.11281181      0.89708081
    O      5.64160940      9.54423688      5.66989948      6.55734172
    C     18.54933069     12.21940128     18.68342335      4.06980331
    H     17.89993931     11.65309943     18.02017262      0.89786422
    O      7.21671678      9.55635362      7.30782414      6.55759821
    C      7.25569925     12.36317448      7.34301459      4.06907892
    H      7.92352497     11.81988363      8.00773233      0.89751660
    O     18.58120398     20.31346162     22.61871230      6.55752406
    C     18.62344348      7.18305167     12.27241612      4.06980998
    H     17.96541495      7.83832233     11.70684660      0.89768526
    O     20.14605486     18.66764909     22.63152025      6.55694735
    C      7.18948173     18.75828649     12.37741276      4.06972458
    H      7.85595243     18.09283949     11.83466773      0.89847130
    O     18.56617991     18.68441596     16.47340389      6.56145059
    C     18.53942841     18.62981663     13.66505416      4.06999598
    H     17.86840159     17.96924084     14.20964833      0.90022066
    O     20.16191203     20.30153368     16.48209130      6.55713919
    C      7.22198379      7.33121187     13.76241850      4.06941072
    H      7.87601645      7.98971018     14.32842279      0.89783635
    O     20.15347039     16.42818628     20.34603984      6.55701744
    C      7.23417606     13.75398227      7.33946883      4.06935488
    H      7.88440680     14.32063755      8.00133489      0.89764304
    O     18.53951422     16.42135961     18.74747213      6.56166464
    C     18.52741125     13.61031317     18.68051854      4.07008240
    H     17.86056782     14.15349502     18.01464612      0.90046278
    O     18.58082139     22.58071344     20.35283612      6.55714864
    C     18.63421678     12.20055830      7.25112690      4.06978452
    H     17.96964334     11.64041531      7.90483040      0.89767330
    O     20.16431930     22.58437778     18.72477626      6.55688557
    C      7.17643275     12.38321924     18.76113285      4.06980585
    H      7.84750545     11.83614491     18.10366118      0.89852195
    O     16.32042410     18.72542523     18.76737867      6.59898425
    C     13.40221736     18.69890603     18.76155946      3.62659831
    N     13.94997185     17.79972441     17.88196288      5.42785971
    O     16.30780362     20.33550861     20.36713604      6.55265106
    C     13.70930196      7.27658860      7.29619735      4.03454903
    H     14.30749531      7.92298782      7.93497004      0.89485749
    O     22.42388495     18.67269594     20.33697835      6.55827848
    C     12.21667925     18.69731883      7.31188438      4.06964614
    H     11.65776139     18.04435153      7.97745666      0.89806880
    O     22.43309425     20.28515429     18.73648042      6.55841603
    C     12.19376986      7.28080378     18.72499267      4.06977955
    H     11.64335257      7.94527693     18.06368294      0.89816189
    C      6.44333556      6.46425693      2.82138832      3.28933948
    C      6.45843922      6.45929177      1.32456866      4.06740342
    C      6.41660967      6.46752693     10.15392029      3.28833964
    C      6.39727015      6.47240428     11.65169584      4.06767472
    C      2.77871672      6.49093909      6.49960767      3.28826817
    C      1.28178104      6.51488916      6.51148023      4.06809837
    C     10.09139442      6.47310764      6.49391968      3.31969763
    C     11.59551416      6.45033313      6.50088400      3.88258235
    C      6.43780878      2.79804910      6.49060802      3.28943733
    C      6.44642076      1.30149003      6.48457755      4.06724693
    C      6.42495683     10.14364656      6.48839340      3.28873869
    C      6.40978991     11.64132140      6.48429628      4.06748606
    C     19.35826919     19.49101609     23.22029004      3.28875163
    C     19.34274628     19.49332474     24.71605286      4.06860061
    C     19.37103690     19.49134417     15.88254342      3.28758782
    C     19.38891715     19.48667741     14.38542532      4.06924766
    C     19.35346176     15.82941751     19.54446344      3.28770697
    C     19.37144042     14.33250615     19.54114935      4.06913557
    C     19.36857700     23.17762168     19.53710932      3.28887964
    C     19.35691355     24.67312329     19.53493649      4.06844904
    C     15.70713663     19.53222100     19.56973184      3.28054674
    C     14.21854040     19.54603775     19.58129255      4.19946906
    C     23.02288557     19.46898992     19.53024227      3.28792235
    C     24.51919718     19.44428146     19.51640241      4.06885668
    H     13.33502450     17.21364285     17.33386898      0.75798751
    H     14.95980035     17.70889707     17.82365543      0.73648945
  107
Geometry Step: 36
   Zn      7.58158233      5.32020538      5.34568047     11.21192337
   Zn      5.29613589      7.62443546      5.32963279     11.20810394
   Zn      5.28736869      5.30923541      7.63701777     11.20818358
   Zn      7.59305587      7.63529879      7.64644597     11.20715736
   Zn     18.22456485     20.66463394     20.70301690     11.20848395
   Zn     20.50814282     18.34509878     20.71402696     11.20788241
   Zn     18.24274660     18.35313537     18.40287364     11.20892896
   Zn     20.51761238     20.66590418     18.39982074     11.20770188
    O      6.43377234      6.47878315      6.49983303      6.72563791
    O     19.37643156     19.50795758     19.55449550      6.72086433
    O      7.22486547      5.64774110      3.42383317      6.55604240
    C      7.17561265     18.76941458     13.76823509      4.06932172
    H      7.83369283     18.11402691     14.33368220      0.89706120
    O      5.64926665      7.28259631      3.40803035      6.55828460
    C     18.61173848      7.19200052     13.66291969      4.06955237
    H     17.94328951      7.85603324     14.20558980      0.89825596
    O      5.63012022      5.64930234      9.55701800      6.55727472
    C     18.56577230     18.62783321     12.27395357      4.06988608
    H     17.91254794     17.96815810     11.70842081      0.89784572
    O      7.21538044      7.27825778      9.56565203      6.55870227
    C      7.24645837      7.32854309     12.37241055      4.06902420
    H      7.91835709      7.98758773     11.82726947      0.89749921
    O      3.37684487      7.28778940      5.69374375      6.55871468
    C     13.58452476      7.26066911     18.71685611      4.06963778
    H     14.14416240      7.91282875     18.05120198      0.89795767
    O      3.36657766      5.67516894      7.29365758      6.55849282
    C     13.60706028     18.67888054      7.30152478      4.06974944
    H     14.15861276     18.01478041      7.96215675      0.89789846
    O      9.48409370      5.68073634      5.69607855      6.52028783
    N     12.04178057     18.74183186     18.80669210      5.35962411
    O      9.50998326      7.29531066      7.29398328      6.55831529
    C     12.32155800      7.32573039      7.33007093      4.16117551
    H     11.78912664      8.01586824      7.97576399      0.89271396
    O      5.62936950      3.38721682      7.29392070      6.55786255
    C     18.62677049     13.59131279      7.25496335      4.06972228
    H     17.95388876     14.13743516      7.91145623      0.89821277
    O      7.23913222      3.39833224      5.69241086      6.55600629
    C      7.16659052     13.77400720     18.76820425      4.06923663
    H      7.83082162     14.33441193     18.11422018      0.89706366
    O      5.64133677      9.54404906      5.66922894      6.55730256
    C     18.55031277     12.21910721     18.68421806      4.06980213
    H     17.90114911     11.65300413     18.02105057      0.89784740
    O      7.21573344      9.55689888      7.30783837      6.55776486
    C      7.25490961     12.36428269      7.34221103      4.06903834
    H      7.92248272     11.82071253      8.00656826      0.89752701
    O     18.58106998     20.31344133     22.61957833      6.55763210
    C     18.62505029      7.18237119     12.27228072      4.06977312
    H     17.96711884      7.83736926     11.70604881      0.89772520
    O     20.14691434     18.66830264     22.63247521      6.55703221
    C      7.18850034     18.75913846     12.37744505      4.06969401
    H      7.85545814     18.09424338     11.83365273      0.89852261
    O     18.56658161     18.68472955     16.47324461      6.56147204
    C     18.54023341     18.63035406     13.66466525      4.06996869
    H     17.86911750     17.97035367     14.20956930      0.90022076
    O     20.16265131     20.30167850     16.48248711      6.55716802
    C      7.22095711      7.33068601     13.76317821      4.06942361
    H      7.87476202      7.98893272     14.32936555      0.89779462
    O     20.15408663     16.42908777     20.34607102      6.55701379
    C      7.23280046     13.75496449      7.33873661      4.06938731
    H      7.88285527     14.32186593      8.00001908      0.89762092
    O     18.53981819     16.42113811     18.74782409      6.56164555
    C     18.52782593     13.60990121     18.68146427      4.07006266
    H     17.86157653     14.15368893     18.01585948      0.90044998
    O     18.58123705     22.58144089     20.35246225      6.55730306
    C     18.63587409     12.20080490      7.24960356      4.06970363
    H     17.97178745     11.63981014      7.90325469      0.89765190
    O     20.16561667     22.58493577     18.72501693      6.55684044
    C      7.17511323     12.38319322     18.76207161      4.06982174
    H      7.84662336     11.83581963     18.10488160      0.89860481
    O     16.31937688     18.72404041     18.76755405      6.59902440
    C     13.40135498     18.69903856     18.76150434      3.62642781
    N     13.94844579     17.79918339     17.88177306      5.42776064
    O     16.30902734     20.33507650     20.36648827      6.55260649
    C     13.71014964      7.27533154      7.29577736      4.03454497
    H     14.30873615      7.92291146      7.93395627      0.89503448
    O     22.42479277     18.67349982     20.33767069      6.55845929
    C     12.21655106     18.69828687      7.31093024      4.06963561
    H     11.65706328     18.04592444      7.97655042      0.89808255
    O     22.43418177     20.28552304     18.73691177      6.55859796
    C     12.19397947      7.28021862     18.72611059      4.06977922
    H     11.64279576      7.94441702     18.06515495      0.89814538
    C      6.44316261      6.46430761      2.82063060      3.28925105
    C      6.45828274      6.45891490      1.32370666      4.06742953
    C      6.41633878      6.46689435     10.15426542      3.28832879
    C      6.39705493      6.47201416     11.65201516      4.06767452
    C      2.77749963      6.49069545      6.49919980      3.28816454
    C      1.28070791      6.51396451      6.51069675      4.06808024
    C     10.09103761      6.47214722      6.49424510      3.31982571
    C     11.59555108      6.45144252      6.49927339      3.88253329
    C      6.43762052      2.79771021      6.49136338      3.28937351
    C      6.44642757      1.30130011      6.48379460      4.06723431
    C      6.42446079     10.14394238      6.48769640      3.28870479
    C      6.40932801     11.64171055      6.48389559      4.06750021
    C     19.35814592     19.49087323     23.22117958      3.28871914
    C     19.34291997     19.49350173     24.71705934      4.06865166
    C     19.37155669     19.49180000     15.88267228      3.28757806
    C     19.38924745     19.48715465     14.38556720      4.06925326
    C     19.35379898     15.82969541     19.54511821      3.28770691
    C     19.37153744     14.33274627     19.54167960      4.06915348
    C     19.36882876     23.17821383     19.53640821      3.28884808
    C     19.35727910     24.67363650     19.53552395      4.06845246
    C     15.70704949     19.53086860     19.57082364      3.28060411
    C     14.21780494     19.54635399     19.58090700      4.19936945
    C     23.02407469     19.46937526     19.53065303      3.28782607
    C     24.52032031     19.44511405     19.51713912      4.06887305
    H     13.33261571     17.21332233     17.33457813      0.75811408
    H     14.95816358     17.70726576     17.82039268      0.73654589
  107
Geometry Step: 37
   Zn      7.58220656      5.32075259      5.34631437     11.21206957
   Zn      5.29585492      7.62416449      5.32939794     11.20813376
   Zn      5.28728033      5.30945239      7.63640914     11.20824220
   Zn      7.59242083      7.63505243      7.64671570     11.20716493
   Zn     18.22573227     20.66420627     20.70276453     11.20852234
   Zn     20.50869014     18.34552141     20.71430508     11.20791718
   Zn     18.24304524     18.35323482     18.40288384     11.20892433
   Zn     20.51814544     20.66603889     18.40029145     11.20779019
    O      6.43406866      6.47945773      6.49943021      6.72537517
    O     19.37732520     19.50752808     19.55430185      6.72062278
    O      7.22434639      5.64720674      3.42347814      6.55613330
    C      7.17430323     18.76979266     13.76848635      4.06928398
    H      7.83237373     18.11482919     14.33444951      0.89711891
    O      5.64820536      7.28252865      3.40684094      6.55825668
    C     18.61252624      7.19132419     13.66314501      4.06955852
    H     17.94385189      7.85489195     14.20664434      0.89822522
    O      5.62956326      5.64923204      9.55718698      6.55734381
    C     18.56654874     18.62847545     12.27371200      4.06988893
    H     17.91367671     17.96890431     11.70793656      0.89778376
    O      7.21545792      7.27777119      9.56607026      6.55862043
    C      7.24549160      7.32833703     12.37319256      4.06901881
    H      7.91766383      7.98652676     11.82785901      0.89750826
    O      3.37582626      7.28760578      5.69290653      6.55870707
    C     13.58477670      7.25994689     18.71759265      4.06962610
    H     14.14485056      7.91151429     18.05169220      0.89793998
    O      3.36559621      5.67493348      7.29354317      6.55846486
    C     13.60705876     18.67921697      7.30070170      4.06974295
    H     14.15912702     18.01512428      7.96103233      0.89786242
    O      9.48487228      5.67827206      5.69709247      6.51995427
    N     12.04078255     18.74345235     18.80614709      5.35972808
    O      9.50955724      7.29346375      7.29539810      6.55820734
    C     12.32232658      7.32540121      7.32885029      4.16109321
    H     11.79069729      8.01445918      7.97609295      0.89284477
    O      5.62788029      3.38659377      7.29382885      6.55779540
    C     18.62802768     13.59187000      7.25407599      4.06977851
    H     17.95512264     14.13853073      7.91012936      0.89819327
    O      7.23885701      3.39832892      5.69272899      6.55597104
    C      7.16552272     13.77401053     18.76932441      4.06917758
    H      7.82908156     14.33540961     18.11563010      0.89706593
    O      5.64106838      9.54404208      5.66863130      6.55730537
    C     18.55114663     12.21889100     18.68480941      4.06979252
    H     17.90215420     11.65285915     18.02181240      0.89782185
    O      7.21504129      9.55737919      7.30784105      6.55789090
    C      7.25412538     12.36522938      7.34155355      4.06903909
    H      7.92146526     11.82136935      8.00541763      0.89753466
    O     18.58067435     20.31357346     22.62044424      6.55755715
    C     18.62650517      7.18196391     12.27220690      4.06974359
    H     17.96873116      7.83654268     11.70532383      0.89777221
    O     20.14798794     18.66888613     22.63341179      6.55701451
    C      7.18781897     18.75984260     12.37738776      4.06970391
    H      7.85501602     18.09559837     11.83264083      0.89851602
    O     18.56675156     18.68497471     16.47311950      6.56142900
    C     18.54116448     18.63076849     13.66440282      4.06996753
    H     17.86984714     17.97152354     14.20952739      0.90022284
    O     20.16339748     20.30172837     16.48261278      6.55717523
    C      7.22016769      7.33027972     13.76392791      4.06942476
    H      7.87376826      7.98839781     14.33023036      0.89773262
    O     20.15471692     16.42967278     20.34608951      6.55701804
    C      7.23163381     13.75586073      7.33826083      4.06940713
    H      7.88161831     14.32300777      7.99897379      0.89759090
    O     18.54004801     16.42087262     18.74799558      6.56158546
    C     18.52826775     13.60963894     18.68228665      4.07007790
    H     17.86251483     14.15392117     18.01706185      0.90043110
    O     18.58136820     22.58196266     20.35225892      6.55725141
    C     18.63728560     12.20115772      7.24838337      4.06963974
    H     17.97383833     11.63920246      7.90175022      0.89765342
    O     20.16701871     22.58560417     18.72517404      6.55674207
    C      7.17418257     12.38299558     18.76284709      4.06985653
    H      7.84579194     11.83539130     18.10595370      0.89861182
    O     16.31844272     18.72288613     18.76802269      6.59911130
    C     13.40051758     18.69950876     18.76147665      3.62634236
    N     13.94702305     17.79839838     17.88215136      5.42760870
    O     16.31001647     20.33451007     20.36596670      6.55276327
    C     13.71105203      7.27381687      7.29593965      4.03457250
    H     14.30961144      7.92293892      7.93262174      0.89506621
    O     22.42576359     18.67404684     20.33865142      6.55840832
    C     12.21637395     18.69900280      7.31017046      4.06962629
    H     11.65627781     18.04733213      7.97590373      0.89808315
    O     22.43527231     20.28606880     18.73709813      6.55853988
    C     12.19406994      7.27977996     18.72700372      4.06978267
    H     11.64223167      7.94383626     18.06645113      0.89812122
    C      6.44305769      6.46437091      2.82032941      3.28925631
    C      6.45809499      6.45855033      1.32297451      4.06754054
    C      6.41623729      6.46644722     10.15449727      3.28832795
    C      6.39679489      6.47161382     11.65228961      4.06770428
    C      2.77685651      6.49055333      6.49881905      3.28818318
    C      1.27988314      6.51310363      6.50999257      4.06815778
    C     10.09065769      6.47135954      6.49454982      3.31991026
    C     11.59549267      6.45283402      6.49718854      3.88257140
    C      6.43747072      2.79779359      6.49188066      3.28940752
    C      6.44640378      1.30106375      6.48308730      4.06733783
    C      6.42408506     10.14413941      6.48713949      3.28866733
    C      6.40882154     11.64204749      6.48356107      4.06753691
    C     19.35794118     19.49072757     23.22161869      3.28877388
    C     19.34302103     19.49364216     24.71794133      4.06877736
    C     19.37192684     19.49211854     15.88287312      3.28756646
    C     19.38964925     19.48761573     14.38577645      4.06928633
    C     19.35409580     15.83000081     19.54560024      3.28769566
    C     19.37170206     14.33301421     19.54219327      4.06918671
    C     19.36900399     23.17837520     19.53589245      3.28890631
    C     19.35758923     24.67417021     19.53608555      4.06856741
    C     15.70682262     19.52992943     19.57154660      3.28050995
    C     14.21740050     19.54704876     19.58066782      4.19916935
    C     23.02467954     19.46968788     19.53103878      3.28785017
    C     24.52116912     19.44587682     19.51779744      4.06898844
    H     13.33029311     17.21301367     17.33537464      0.75827393
    H     14.95659996     17.70537926     17.81690962      0.73665575
  107
Geometry Step: 38
   Zn      7.58307986      5.32093991      5.34664461     11.21217748
   Zn      5.29562106      7.62384628      5.32918689     11.20826225
   Zn      5.28709456      5.30972802      7.63586629     11.20836906
   Zn      7.59181311      7.63497379      7.64717010     11.20715612
   Zn     18.22669698     20.66393546     20.70263780     11.20859494
   Zn     20.50923096     18.34565574     20.71446747     11.20802271
   Zn     18.24303582     18.35293810     18.40252081     11.20888583
   Zn     20.51878387     20.66596889     18.40042694     11.20792891
    O      6.43453139      6.47988107      6.49902105      6.72529809
    O     19.37784242     19.50693877     19.55392746      6.72061643
    O      7.22427151      5.64692295      3.42341070      6.55611543
    C      7.17363908     18.76972516     13.76858150      4.06928823
    H      7.83156619     18.11516156     14.33496060      0.89714981
    O      5.64738827      7.28250786      3.40610754      6.55815047
    C     18.61268189      7.19111766     13.66336797      4.06957625
    H     17.94412819      7.85421962     14.20746063      0.89815314
    O      5.62923718      5.64955155      9.55728190      6.55739360
    C     18.56683756     18.62877037     12.27366990      4.06988813
    H     17.91422232     17.96920018     11.70767974      0.89773209
    O      7.21585471      7.27756686      9.56633634      6.55847382
    C      7.24475792      7.32831101     12.37354859      4.06903754
    H      7.91718624      7.98576406     11.82804135      0.89751570
    O      3.37517218      7.28774993      5.69216607      6.55853271
    C     13.58493388      7.25972030     18.71780845      4.06961516
    H     14.14539493      7.91079901     18.05167568      0.89791623
    O      3.36514635      5.67485562      7.29368183      6.55826454
    C     13.60711390     18.67922870      7.30040154      4.06973137
    H     14.15943211     18.01496078      7.96044632      0.89783805
    O      9.48565420      5.67628318      5.69800655      6.51976428
    N     12.04029367     18.74504821     18.80455956      5.35968478
    O      9.50885904      7.29160430      7.29641105      6.55819535
    C     12.32273522      7.32519737      7.32809637      4.16112450
    H     11.79146547      8.01331364      7.97718101      0.89299035
    O      5.62690090      3.38614921      7.29375744      6.55772179
    C     18.62834959     13.59241129      7.25376849      4.06980823
    H     17.95582058     14.13952569      7.90951792      0.89811617
    O      7.23883818      3.39860624      5.69277849      6.55580331
    C      7.16506839     13.77384883     18.76977170      4.06917463
    H      7.82802960     14.33605250     18.11648258      0.89708124
    O      5.64092060      9.54418480      5.66840339      6.55733653
    C     18.55148484     12.21889686     18.68496089      4.06979089
    H     17.90255567     11.65277470     18.02210733      0.89779047
    O      7.21491419      9.55760161      7.30783373      6.55795851
    C      7.25359484     12.36560010      7.34128927      4.06906445
    H      7.92085934     11.82150498      8.00469422      0.89754359
    O     18.58007976     20.31361844     22.62091514      6.55735896
    C     18.62719935      7.18206595     12.27224681      4.06974627
    H     17.96969863      7.83626324     11.70487995      0.89778710
    O     20.14882303     18.66940438     22.63391558      6.55697316
    C      7.18766223     18.76014051     12.37729274      4.06972428
    H      7.85479836     18.09652015     11.83191747      0.89846429
    O     18.56657149     18.68507371     16.47305825      6.56136221
    C     18.54189632     18.63094165     13.66443678      4.06999290
    H     17.87034678     17.97234131     14.20968401      0.90023032
    O     20.16390578     20.30149917     16.48253231      6.55715132
    C      7.21991071      7.33017840     13.76435613      4.06941754
    H      7.87341212      7.98835705     14.33067956      0.89767688
    O     20.15514526     16.42978252     20.34595642      6.55702501
    C      7.23112334     13.75630636      7.33828055      4.06942071
    H      7.88117704     14.32366442      7.99864247      0.89755648
    O     18.54014952     16.42063961     18.74785114      6.56150684
    C     18.52859287     13.60971387     18.68272894      4.07011048
    H     17.86305125     14.15427836     18.01785509      0.90041703
    O     18.58114861     22.58196285     20.35211770      6.55705624
    C     18.63789868     12.20155237      7.24796030      4.06963051
    H     17.97506429     11.63882581      7.90093500      0.89766865
    O     20.16796167     22.58608825     18.72534660      6.55669468
    C      7.17399908     12.38269489     18.76318610      4.06987176
    H      7.84532795     11.83491676     18.10651209      0.89855338
    O     16.31793410     18.72224232     18.76865052      6.59921916
    C     13.40014410     18.70031400     18.76137709      3.62637468
    N     13.94613070     17.79719742     17.88349181      5.42734354
    O     16.31059685     20.33395791     20.36581487      6.55304824
    C     13.71161297      7.27285817      7.29649020      4.03460916
    H     14.30967686      7.92312179      7.93164293      0.89495848
    O     22.42637808     18.67421908     20.33949872      6.55819524
    C     12.21621493     18.69920939      7.30993781      4.06962084
    H     11.65560714     18.04811141      7.97582323      0.89807379
    O     22.43586328     20.28643188     18.73700027      6.55830767
    C     12.19402403      7.27968344     18.72734934      4.06978024
    H     11.64182199      7.94382787     18.06717252      0.89810036
    C      6.44299534      6.46434221      2.82046206      3.28931861
    C      6.45787614      6.45832905      1.32258648      4.06768446
    C      6.41634042      6.46638439     10.15455097      3.28834124
    C      6.39659283      6.47135050     11.65242201      4.06773818
    C      2.77691489      6.49055107      6.49856229      3.28829774
    C      1.27953570      6.51257095      6.50957463      4.06828593
    C     10.09051634      6.47094692      6.49456370      3.31991118
    C     11.59543926      6.45434451      6.49501349      3.88265606
    C      6.43734390      2.79816111      6.49190109      3.28949416
    C      6.44632585      1.30086048      6.48273641      4.06749561
    C      6.42395032     10.14418622      6.48696455      3.28863748
    C      6.40844862     11.64221429      6.48340523      4.06757786
    C     19.35771907     19.49071153     23.22160921      3.28887039
    C     19.34304424     19.49369797     24.71844051      4.06891616
    C     19.37203171     19.49212861     15.88306964      3.28755384
    C     19.38999232     19.48791295     14.38598941      4.06932563
    C     19.35426811     15.83020370     19.54566645      3.28767567
    C     19.37186954     14.33321927     19.54254925      4.06921829
    C     19.36906152     23.17818557     19.53582050      3.28900548
    C     19.35775829     24.67455999     19.53640315      4.06872930
    C     15.70665204     19.52979913     19.57161785      3.28031317
    C     14.21750971     19.54797738     19.58063775      4.19895543
    C     23.02459507     19.46984763     19.53129938      3.28796189
    C     24.52149733     19.44633657     19.51819014      4.06914456
    H     13.32854919     17.21296772     17.33626382      0.75843248
    H     14.95546602     17.70367864     17.81402955      0.73679765
  107
Geometry Step: 39
   Zn      7.58387408      5.32083549      5.34661443     11.21213570
   Zn      5.29521756      7.62353170      5.32881157     11.20834443
   Zn      5.28663101      5.30990049      7.63546511     11.20844238
   Zn      7.59117067      7.63501664      7.64764576     11.20707622
   Zn     18.22726940     20.66393635     20.70275961     11.20856214
   Zn     20.50994505     18.34572589     20.71476066     11.20806507
   Zn     18.24287981     18.35265184     18.40215379     11.20881993
   Zn     20.51968967     20.66594265     18.40038893     11.20799875
    O      6.43474378      6.48000016      6.49861866      6.72539853
    O     19.37821253     19.50656532     19.55367237      6.72081333
    O      7.22420359      5.64684157      3.42342464      6.55610400
    C      7.17311637     18.76967326     13.76857330      4.06930790
    H      7.83086229     18.11545317     14.33532937      0.89716285
    O      5.64682253      7.28239194      3.40562717      6.55804949
    C     18.61285279      7.19095067     13.66357173      4.06959173
    H     17.94447360      7.85355520     14.20799733      0.89807942
    O      5.62906105      5.64985478      9.55731651      6.55744427
    C     18.56707207     18.62901516     12.27363146      4.06986380
    H     17.91460891     17.96937294     11.70741041      0.89772144
    O      7.21621503      7.27739165      9.56647701      6.55832411
    C      7.24412752      7.32820530     12.37382487      4.06906866
    H      7.91680276      7.98519646     11.82825119      0.89753168
    O      3.37465148      7.28780239      5.69152937      6.55834144
    C     13.58502161      7.25947829     18.71800755      4.06960900
    H     14.14581445      7.91020828     18.05167760      0.89790092
    O      3.36491590      5.67481111      7.29371538      6.55803050
    C     13.60721218     18.67936531      7.30007771      4.06970057
    H     14.15955339     18.01481402      7.95993312      0.89784488
    O      9.48616167      5.67495645      5.69888355      6.51975634
    N     12.03983372     18.74606222     18.80300004      5.35956570
    O      9.50819387      7.29005462      7.29702506      6.55829332
    C     12.32318763      7.32490097      7.32767953      4.16116843
    H     11.79221915      8.01273023      7.97815624      0.89311087
    O      5.62627132      3.38581939      7.29359524      6.55769707
    C     18.62847980     13.59290330      7.25350513      4.06980005
    H     17.95641082     14.14030758      7.90909859      0.89802728
    O      7.23883711      3.39905850      5.69286010      6.55564952
    C      7.16461431     13.77365641     18.77012522      4.06921400
    H      7.82711398     14.33656133     18.11728841      0.89710542
    O      5.64087013      9.54440852      5.66819711      6.55741553
    C     18.55171045     12.21897525     18.68506881      4.06977187
    H     17.90279562     11.65255176     18.02229820      0.89778395
    O      7.21490094      9.55760613      7.30774805      6.55797859
    C      7.25308328     12.36579498      7.34111277      4.06909777
    H      7.92047000     11.82163966      8.00422322      0.89756628
    O     18.57969816     20.31355124     22.62121823      6.55721681
    C     18.62772736      7.18214368     12.27238888      4.06975956
    H     17.97051266      7.83603492     11.70463488      0.89778303
    O     20.14944488     18.66993739     22.63426479      6.55695319
    C      7.18748192     18.76037526     12.37721624      4.06973835
    H      7.85454085     18.09735938     11.83155065      0.89840523
    O     18.56640652     18.68524347     16.47318624      6.56129998
    C     18.54252804     18.63113544     13.66451453      4.07002906
    H     17.87071180     17.97294184     14.20974793      0.90024915
    O     20.16427340     20.30131990     16.48242024      6.55713997
    C      7.21971539      7.33007022     13.76475040      4.06938856
    H      7.87318912      7.98842849     14.33111630      0.89765929
    O     20.15544956     16.42969319     20.34589206      6.55708120
    C      7.23078434     13.75662913      7.33832694      4.06940854
    H      7.88096006     14.32428832      7.99853156      0.89754517
    O     18.54022054     16.42067162     18.74776203      6.56142508
    C     18.52893972     13.60990895     18.68304567      4.07014428
    H     17.86331501     14.15448525     18.01837719      0.90041992
    O     18.58102198     22.58166778     20.35190346      6.55690021
    C     18.63845781     12.20195753      7.24764383      4.06966509
    H     17.97612696     11.63855811      7.90018039      0.89769429
    O     20.16861822     22.58652715     18.72558034      6.55671548
    C      7.17395614     12.38242129     18.76349643      4.06985298
    H      7.84492259     11.83458691     18.10692081      0.89847728
    O     16.31775086     18.72162721     18.76928965      6.59926585
    C     13.39976943     18.70098244     18.76125639      3.62644717
    N     13.94527850     17.79632445     17.88451254      5.42710336
    O     16.31068530     20.33341180     20.36583832      6.55335534
    C     13.71210509      7.27212808      7.29675965      4.03464796
    H     14.30973954      7.92307859      7.93059945      0.89482612
    O     22.42692935     18.67445806     20.34024139      6.55796931
    C     12.21611937     18.69940618      7.30972202      4.06962226
    H     11.65510395     18.04872018      7.97578401      0.89806553
    O     22.43631025     20.28674554     18.73701003      6.55805009
    C     12.19392538      7.27947751     18.72767853      4.06975808
    H     11.64161746      7.94387577     18.06776151      0.89810257
    C      6.44279089      6.46417419      2.82046981      3.28937010
    C      6.45766555      6.45825347      1.32218305      4.06779589
    C      6.41642479      6.46640399     10.15458265      3.28835101
    C      6.39629339      6.47105137     11.65257010      4.06776422
    C      2.77697156      6.49044160      6.49825221      3.28842265
    C      1.27915135      6.51224073      6.50933322      4.06839358
    C     10.09070535      6.47071255      6.49455836      3.31984436
    C     11.59557862      6.45525386      6.49343336      3.88272732
    C      6.43708011      2.79842719      6.49158920      3.28956137
    C      6.44619956      1.30059389      6.48274996      4.06762844
    C      6.42385199     10.14421197      6.48692179      3.28860338
    C      6.40804973     11.64234840      6.48316543      4.06761754
    C     19.35770584     19.49084262     23.22174103      3.28893305
    C     19.34307897     19.49363718     24.71896140      4.06901105
    C     19.37209994     19.49209766     15.88324171      3.28753595
    C     19.39039393     19.48821929     14.38615290      4.06935521
    C     19.35438918     15.83038635     19.54561234      3.28764198
    C     19.37210230     14.33341258     19.54295416      4.06924102
    C     19.36928709     23.17811472     19.53605997      3.28906849
    C     19.35793328     24.67500788     19.53638401      4.06886392
    C     15.70646971     19.52999149     19.57117307      3.28012078
    C     14.21767956     19.54836898     19.58074220      4.19880494
    C     23.02459762     19.47010836     19.53163457      3.28808116
    C     24.52189437     19.44661750     19.51842196      4.06926540
    H     13.32705116     17.21294520     17.33693136      0.75855407
    H     14.95433832     17.70244261     17.81187965      0.73694269
  107
Geometry Step: 40
   Zn      7.58461426      5.32060320      5.34634238     11.21195836
   Zn      5.29462321      7.62321353      5.32823933     11.20833068
   Zn      5.28591290      5.30998882      7.63514392     11.20841844
   Zn      7.59041478      7.63510198      7.64809371     11.20694277
   Zn     18.22757154     20.66408620     20.70307462     11.20841217
   Zn     20.51086363     18.34582428     20.71522239     11.20800374
   Zn     18.24265806     18.35250241     18.40191443     11.20874873
   Zn     20.52088107     20.66599370     18.40027940     11.20796364
    O      6.43463696      6.47989674      6.49817716      6.72559879
    O     19.37860670     19.50642195     19.55355968      6.72112523
    O      7.22396837      5.64691274      3.42340284      6.55615515
    C      7.17248967     18.76981012     13.76851766      4.06933201
    H      7.83003546     18.11584990     14.33564527      0.89716422
    O      5.64637870      7.28211779      3.40521905      6.55800010
    C     18.61331171      7.19064555     13.66375718      4.06958563
    H     17.94497619      7.85271534     14.20839169      0.89803301
    O      5.62894049      5.65006958      9.55725976      6.55749768
    C     18.56742085     18.62932216     12.27352093      4.06983583
    H     17.91507326     17.96958637     11.70706770      0.89773438
    O      7.21647241      7.27712985      9.56659974      6.55819655
    C      7.24348207      7.32793717     12.37421055      4.06908989
    H      7.91639470      7.98467305     11.82864195      0.89756370
    O      3.37409921      7.28760522      5.69093829      6.55822298
    C     13.58505960      7.25901778     18.71839173      4.06960267
    H     14.14615121      7.90945958     18.05187314      0.89790011
    O      3.36471298      5.67480950      7.29350352      6.55784224
    C     13.60730781     18.67974862      7.29953473      4.06965405
    H     14.15952634     18.01484308      7.95922612      0.89787649
    O      9.48647362      5.67392909      5.69979889      6.51983703
    N     12.03923971     18.74678987     18.80164691      5.35949370
    O      9.50765673      7.28866653      7.29747111      6.55846375
    C     12.32373946      7.32441683      7.32747700      4.16121666
    H     11.79336118      8.01246211      7.97881052      0.89318043
    O      5.62577109      3.38556404      7.29327186      6.55774772
    C     18.62877702     13.59338585      7.25306598      4.06974877
    H     17.95708685     14.14100245      7.90864393      0.89796103
    O      7.23872391      3.39959677      5.69308974      6.55558023
    C      7.16391652     13.77345954     18.77068641      4.06927361
    H      7.82603483     14.33707372     18.11828795      0.89713960
    O      5.64087272      9.54462706      5.66788303      6.55752597
    C     18.55198319     12.21905148     18.68526259      4.06975871
    H     17.90310356     11.65219045     18.02255960      0.89778405
    O      7.21480588      9.55750043      7.30755726      6.55798507
    C      7.25246622     12.36603894      7.34088906      4.06911209
    H      7.92012429     11.82194945      8.00381911      0.89760899
    O     18.57956859     20.31335755     22.62153284      6.55717953
    C     18.62836345      7.18200792     12.27261055      4.06977385
    H     17.97144471      7.83570566     11.70450247      0.89776626
    O     20.14999531     18.67060022     22.63462416      6.55698802
    C      7.18703632     18.76070886     12.37719112      4.06972801
    H      7.85418822     18.09830898     11.83140819      0.89837022
    O     18.56635514     18.68557345     16.47346197      6.56125380
    C     18.54317193     18.63146161     13.66452455      4.07005595
    H     17.87106464     17.97349900     14.20966757      0.90028733
    O     20.16462432     20.30125155     16.48239523      6.55714556
    C      7.21940693      7.32987048     13.76525932      4.06935714
    H      7.87285648      7.98845739     14.33168326      0.89766181
    O     20.15573312     16.42961715     20.34592992      6.55718190
    C      7.23039374     13.75701541      7.33827734      4.06939730
    H      7.88067690     14.32505216      7.99840109      0.89753679
    O     18.54033933     16.42094228     18.74783054      6.56134328
    C     18.52937095     13.61011458     18.68339038      4.07015605
    H     17.86345882     14.15452899     18.01881883      0.90044561
    O     18.58112083     22.58125432     20.35153995      6.55685675
    C     18.63927303     12.20241625      7.24710368      4.06972011
    H     17.97737998     11.63832272      7.89922149      0.89773089
    O     20.16920681     22.58698300     18.72593364      6.55681407
    C      7.17376603     12.38220621     18.76396036      4.06979356
    H      7.84445456     11.83436709     18.10734958      0.89842108
    O     16.31773890     18.72077364     18.76989862      6.59921464
    C     13.39924728     18.70135737     18.76108524      3.62649775
    N     13.94420068     17.79574984     17.88503335      5.42685785
    O     16.31045505     20.33284744     20.36593853      6.55360594
    C     13.71264357      7.27143699      7.29655710      4.03469050
    H     14.31013095      7.92278421      7.92934718      0.89473803
    O     22.42758800     18.67497481     20.34096445      6.55781718
    C     12.21609563     18.69979256      7.30931776      4.06962523
    H     11.65472698     18.04944893      7.97559052      0.89806558
    O     22.43682543     20.28704455     18.73728330      6.55784513
    C     12.19384980      7.27902779     18.72819162      4.06972164
    H     11.64159000      7.94379143     18.06850161      0.89812290
    C      6.44240450      6.46388487      2.82015839      3.28937264
    C      6.45743206      6.45822152      1.32166575      4.06785897
    C      6.41640901      6.46636704     10.15466972      3.28835665
    C      6.39587817      6.47069300     11.65280760      4.06777765
    C      2.77669227      6.49017773      6.49781744      3.28850422
    C      1.27855008      6.51196874      6.50914552      4.06845048
    C     10.09108648      6.47047164      6.49460366      3.31974995
    C     11.59590359      6.45563261      6.49234718      3.88274574
    C      6.43664538      2.79846762      6.49110951      3.28957001
    C      6.44600821      1.30028361      6.48295840      4.06771212
    C      6.42368180     10.14427872      6.48685360      3.28856537
    C      6.40757789     11.64253953      6.48282472      4.06765581
    C     19.35791153     19.49108817     23.22222243      3.28893348
    C     19.34317176     19.49353161     24.71963327      4.06905188
    C     19.37224910     19.49213744     15.88340410      3.28751539
    C     19.39088614     19.48857213     14.38626740      4.06937221
    C     19.35453225     15.83059591     19.54558859      3.28760215
    C     19.37239043     14.33361077     19.54343997      4.06925648
    C     19.36974715     23.17832326     19.53645464      3.28906289
    C     19.35819520     24.67555574     19.53616366      4.06895061
    C     15.70631759     19.53020977     19.57042966      3.27999610
    C     14.21764967     19.54819575     19.58077954      4.19874826
    C     23.02503009     19.47054536     19.53212158      3.28815690
    C     24.52256249     19.44685203     19.51860938      4.06932468
    H     13.32540374     17.21295167     17.33749674      0.75864536
    H     14.95294034     17.70150232     17.81004900      0.73709008
  107
Geometry Step: 41
   Zn      7.58536940      5.32026691      5.34587775     11.21169524
   Zn      5.29388620      7.62287566      5.32748383     11.20822312
   Zn      5.28500424      5.30998276      7.63485067     11.20829849
   Zn      7.58944022      7.63514963      7.64848269     11.20679590
   Zn     18.22760789     20.66430375     20.70351744     11.20817722
   Zn     20.51194905     18.34595378     20.71582679     11.20784543
   Zn     18.24244992     18.35252828     18.40183731     11.20868389
   Zn     20.52230609     20.66613157     18.40012691     11.20782601
    O      6.43421707      6.47955573      6.49763450      6.72584784
    O     19.37909546     19.50650460     19.55358785      6.72149783
    O      7.22360523      5.64709636      3.42327704      6.55627701
    C      7.17172119     18.77014620     13.76847809      4.06934592
    H      7.82906075     18.11635987     14.33599252      0.89715881
    O      5.64596941      7.28168809      3.40481932      6.55799534
    C     18.61405017      7.19019953     13.66393993      4.06957072
    H     17.94560161      7.85173788     14.20877702      0.89801538
    O      5.62884833      5.65021565      9.55709172      6.55757360
    C     18.56788613     18.62967246     12.27332818      4.06979462
    H     17.91562096     17.96985873     11.70665151      0.89776729
    O      7.21665598      7.27677771      9.56681248      6.55808541
    C      7.24284186      7.32755385     12.37477277      4.06910325
    H      7.91592158      7.98415727     11.82920610      0.89760225
    O      3.37345442      7.28714426      5.69034143      6.55820649
    C     13.58506738      7.25835424     18.71894551      4.06960451
    H     14.14643070      7.90851910     18.05227760      0.89790140
    O      3.36445696      5.67485564      7.29301908      6.55774064
    C     13.60738111     18.68032256      7.29879777      4.06959891
    H     14.15940037     18.01505147      7.95831118      0.89791779
    O      9.48666417      5.67306782      5.70066971      6.51992989
    N     12.03850599     18.74744438     18.80057672      5.35950959
    O      9.50723203      7.28749553      7.29787136      6.55865672
    C     12.32434947      7.32377163      7.32750838      4.16122308
    H     11.79498708      8.01239105      7.97917584      0.89319342
    O      5.62530487      3.38537958      7.29276675      6.55786211
    C     18.62927783     13.59387034      7.25246322      4.06967851
    H     17.95785282     14.14171551      7.90816027      0.89792342
    O      7.23848173      3.40004841      5.69339122      6.55561718
    C      7.16297711     13.77330651     18.77148389      4.06933416
    H      7.82477823     14.33767880     18.11950186      0.89717368
    O      5.64090242      9.54477879      5.66745444      6.55766927
    C     18.55232656     12.21908842     18.68554887      4.06973433
    H     17.90349266     11.65171185     18.02292831      0.89779562
    O      7.21463403      9.55736430      7.30722324      6.55797955
    C      7.25178675     12.36641656      7.34065812      4.06911279
    H      7.91976112     11.82240830      8.00345099      0.89765839
    O     18.57964659     20.31309634     22.62193222      6.55724765
    C     18.62913564      7.18164176     12.27287510      4.06977521
    H     17.97251936      7.83527967     11.70442120      0.89774357
    O     20.15056981     18.67141241     22.63504477      6.55707138
    C      7.18632556     18.76113814     12.37723071      4.06970458
    H      7.85378123     18.09934608     11.83138206      0.89836248
    O     18.56639499     18.68609219     16.47378908      6.56122189
    C     18.54380957     18.63187446     13.66440241      4.07007260
    H     17.87144378     17.97405120     14.20946842      0.90033455
    O     20.16500543     20.30130304     16.48247293      6.55717432
    C      7.21898557      7.32960120     13.76589085      4.06931596
    H      7.87240309      7.98842740     14.33238062      0.89768090
    O     20.15603359     16.42961868     20.34607834      6.55731658
    C      7.22992099     13.75748634      7.33814423      4.06937223
    H      7.88030267     14.32593703      7.99821432      0.89753760
    O     18.54054922     16.42136128     18.74805630      6.56126812
    C     18.52983833     13.61023359     18.68374463      4.07015156
    H     17.86354518     14.15444217     18.01923211      0.90048175
    O     18.58143806     22.58088811     20.35108122      6.55693868
    C     18.64033866     12.20289685      7.24632047      4.06977376
    H     17.97882894     11.63804963      7.89806346      0.89776829
    O     20.16983990     22.58745873     18.72642082      6.55697877
    C      7.17339016     12.38205877     18.76457289      4.06971552
    H      7.84392924     11.83418715     18.10780076      0.89839161
    O     16.31784484     18.71976130     18.77041767      6.59907374
    C     13.39854546     18.70134510     18.76080774      3.62649314
    N     13.94292442     17.79535356     17.88495937      5.42665404
    O     16.30994265     20.33237018     20.36609598      6.55375474
    C     13.71315458      7.27070967      7.29591629      4.03472953
    H     14.31092656      7.92237800      7.92787452      0.89474225
    O     22.42841187     18.67580663     20.34172637      6.55776759
    C     12.21613810     18.70035278      7.30873850      4.06963768
    H     11.65444946     18.05033989      7.97521849      0.89806282
    O     22.43749153     20.28734722     18.73784922      6.55773150
    C     12.19383217      7.27838328     18.72886802      4.06967898
    H     11.64169016      7.94355540     18.06942209      0.89814757
    C      6.44187151      6.46351733      2.81956409      3.28931885
    C      6.45718933      6.45814333      1.32111905      4.06787463
    C      6.41629885      6.46625548     10.15484718      3.28835773
    C      6.39536926      6.47031486     11.65314773      4.06778634
    C      2.77601350      6.48980137      6.49725628      3.28852189
    C      1.27775992      6.51171604      6.50899887      4.06844858
    C     10.09147581      6.47023666      6.49470257      3.31966681
    C     11.59630415      6.45565519      6.49173396      3.88270552
    C      6.43607880      2.79827508      6.49056257      3.28951026
    C      6.44576689      1.30000417      6.48321837      4.06774566
    C      6.42344737     10.14440269      6.48669438      3.28852581
    C      6.40704798     11.64280735      6.48243961      4.06769786
    C     19.35830413     19.49142198     23.22301101      3.28887061
    C     19.34329943     19.49346015     24.72038992      4.06904352
    C     19.37250208     19.49228142     15.88353602      3.28749192
    C     19.39145788     19.48893203     14.38632413      4.06938415
    C     19.35472721     15.83081140     19.54565296      3.28756004
    C     19.37272645     14.33378401     19.54396141      4.06927397
    C     19.37040531     23.17879820     19.53690490      3.28898412
    C     19.35852420     24.67613949     19.53588330      4.06898642
    C     15.70619087     19.53031700     19.56961661      3.27995781
    C     14.21732697     19.54746103     19.58065769      4.19879189
    C     23.02595091     19.47113496     19.53276212      3.28816923
    C     24.52348117     19.44707366     19.51876140      4.06931760
    H     13.32360430     17.21288720     17.33791541      0.75870732
    H     14.95129376     17.70073551     17.80839994      0.73722630
  107
Geometry Step: 42
   Zn      7.58601600      5.31991033      5.34534991     11.21147242
   Zn      5.29324784      7.62258026      5.32676754     11.20808324
   Zn      5.28418487      5.30988350      7.63462018     11.20814348
   Zn      7.58842065      7.63507771      7.64868599     11.20671331
   Zn     18.22733990     20.66446718     20.70393093     11.20796102
   Zn     20.51287786     18.34606074     20.71636641     11.20766680
   Zn     18.24234797     18.35272148     18.40193934     11.20864865
   Zn     20.52355437     20.66629563     18.39997086     11.20765158
    O      6.43363381      6.47903397      6.49707817      6.72605204
    O     19.37956343     19.50677155     19.55373360      6.72180794
    O      7.22332891      5.64730418      3.42306211      6.55639884
    C      7.17104546     18.77052054     13.76849444      4.06934860
    H      7.82823442     18.11679316     14.33630379      0.89714994
    O      5.64561362      7.28124815      3.40452689      6.55800377
    C     18.61477947      7.18976073     13.66409639      4.06955217
    H     17.94611574      7.85097032     14.20912916      0.89803347
    O      5.62880579      5.65031960      9.55684663      6.55765022
    C     18.56829004     18.62993027     12.27308930      4.06976740
    H     17.91605146     17.97008455     11.70631676      0.89779578
    O      7.21679441      7.27647607      9.56712424      6.55801763
    C      7.24239202      7.32720012     12.37534410      4.06910424
    H      7.91549146      7.98378266     11.82974753      0.89762838
    O      3.37286975      7.28660291      5.68981384      6.55828125
    C     13.58505550      7.25772196     18.71945621      4.06961249
    H     14.14657935      7.90768399     18.05272051      0.89789981
    O      3.36419106      5.67492028      7.29242915      6.55773820
    C     13.60740947     18.68085383      7.29813424      4.06955571
    H     14.15922695     18.01530881      7.95748856      0.89795056
    O      9.48676073      5.67254408      5.70117347      6.51996177
    N     12.03784141     18.74799577     18.79999825      5.35963593
    O      9.50697518      7.28690163      7.29816763      6.55878482
    C     12.32480359      7.32313009      7.32780545      4.16118343
    H     11.79663832      8.01249284      7.97928757      0.89316055
    O      5.62493095      3.38534346      7.29222144      6.55797438
    C     18.62977922     13.59425392      7.25191097      4.06961505
    H     17.95844883     14.14231815      7.90786114      0.89793222
    O      7.23821627      3.40017944      5.69354388      6.55572762
    C      7.16211200     13.77323821     18.77223665      4.06937380
    H      7.82373994     14.33823845     18.12056479      0.89719172
    O      5.64093447      9.54478981      5.66705868      6.55779608
    C     18.55261027     12.21904158     18.68580541      4.06972557
    H     17.90381461     11.65128985     18.02329662      0.89779988
    O      7.21451304      9.55726952      7.30680855      6.55796860
    C      7.25126610     12.36680407      7.34053673      4.06909587
    H      7.91946638     11.82281497      8.00323551      0.89769489
    O     18.57982171     20.31290929     22.62231733      6.55736096
    C     18.62978613      7.18121694     12.27310163      4.06976486
    H     17.97339689      7.83494404     11.70441514      0.89772533
    O     20.15111484     18.67214588     22.63540964      6.55715460
    C      7.18560846     18.76152502     12.37731905      4.06967400
    H      7.85349218     18.10012717     11.83143520      0.89838749
    O     18.56644209     18.68666249     16.47401017      6.56121268
    C     18.54426241     18.63221513     13.66418790      4.07007281
    H     17.87176319     17.97445125     14.20924091      0.90037114
    O     20.16533917     20.30143807     16.48261000      6.55720811
    C      7.21862337      7.32937251     13.76647832      4.06929220
    H      7.87200465      7.98838587     14.33295839      0.89769512
    O     20.15628914     16.42970016     20.34629324      6.55742836
    C      7.22954244     13.75791084      7.33803287      4.06935947
    H      7.87999371     14.32660831      7.99806451      0.89753325
    O     18.54081550     16.42174250     18.74833321      6.56122883
    C     18.53018847     13.61021768     18.68398093      4.07012846
    H     17.86356270     14.15428252     18.01951343      0.90051514
    O     18.58181702     22.58074584     20.35073723      6.55709636
    C     18.64127974     12.20327051      7.24559658      4.06980333
    H     17.98000387     11.63779274      7.89709714      0.89779080
    O     20.17044043     22.58779741     18.72690236      6.55713624
    C      7.17297192     12.38199461     18.76514398      4.06964618
    H      7.84352726     11.83404878     18.10810760      0.89840341
    O     16.31802274     18.71901000     18.77069088      6.59890783
    C     13.39789874     18.70097983     18.76042273      3.62643563
    N     13.94182752     17.79508139     17.88439551      5.42654142
    O     16.30927027     20.33217483     20.36626143      6.55375563
    C     13.71350733      7.27011257      7.29510427      4.03476732
    H     14.31184360      7.92206167      7.92656386      0.89482398
    O     22.42919687     18.67669113     20.34241155      6.55781842
    C     12.21623026     18.70088000      7.30820125      4.06965432
    H     11.65434593     18.05111530      7.97482553      0.89805444
    O     22.43815900     20.28760975     18.73851981      6.55772132
    C     12.19388852      7.27779090     18.72945892      4.06964754
    H     11.64187237      7.94329542     18.07023273      0.89816307
    C      6.44138279      6.46319865      2.81899009      3.28924381
    C      6.45699918      6.45801628      1.32079613      4.06785039
    C      6.41615170      6.46612644     10.15506566      3.28836186
    C      6.39493704      6.47006932     11.65350186      4.06778743
    C      2.77520411      6.48947166      6.49673629      3.28848224
    C      1.27707292      6.51155110      6.50896091      4.06840014
    C     10.09163889      6.47010623      6.49481741      3.31964099
    C     11.59658686      6.45547506      6.49172184      3.88261583
    C      6.43557729      2.79799625      6.49013272      3.28941486
    C      6.44552765      1.29988761      6.48340472      4.06773937
    C      6.42324067     10.14453522      6.48646262      3.28850550
    C      6.40664878     11.64307863      6.48221330      4.06772480
    C     19.35874077     19.49174639     23.22374407      3.28878405
    C     19.34340638     19.49346371     24.72093142      4.06900142
    C     19.37278119     19.49248927     15.88359657      3.28747762
    C     19.39193325     19.48914746     14.38629427      4.06938806
    C     19.35494212     15.83095795     19.54579783      3.28753570
    C     19.37299590     14.33385138     19.54429275      4.06928573
    C     19.37103504     23.17929233     19.53724245      3.28887152
    C     19.35881568     24.67653877     19.53568842      4.06897895
    C     15.70608646     19.53023587     19.56910110      3.28000942
    C     14.21681006     19.54644485     19.58034976      4.19889237
    C     23.02702121     19.47167932     19.53336882      3.28812630
    C     24.52432768     19.44722038     19.51880761      4.06925938
    H     13.32214176     17.21271937     17.33804073      0.75871820
    H     14.94993507     17.70026824     17.80733015      0.73731289
  107
Geometry Step: 43
   Zn      7.58666344      5.31956465      5.34494362     11.21139276
   Zn      5.29302465      7.62235736      5.32634730     11.20801174
   Zn      5.28379459      5.30979826      7.63442162     11.20804394
   Zn      7.58738670      7.63484631      7.64869846     11.20676498
   Zn     18.22688477     20.66439759     20.70404853     11.20789032
   Zn     20.51330191     18.34599976     20.71657102     11.20756682
   Zn     18.24232526     18.35292899     18.40209747     11.20865920
   Zn     20.52421329     20.66632495     18.39976525     11.20752834
    O      6.43318950      6.47837520      6.49654734      6.72613381
    O     19.37982635     19.50700025     19.55381882      6.72196306
    O      7.22345203      5.64755272      3.42296789      6.55645715
    C      7.17089110     18.77060494     13.76856955      4.06934670
    H      7.82793431     18.11679080     14.33655177      0.89713374
    O      5.64537105      7.28088945      3.40459512      6.55797074
    C     18.61500895      7.18965873     13.66421089      4.06954895
    H     17.94623155      7.85079452     14.20946016      0.89806042
    O      5.62888434      5.65063508      9.55648100      6.55771183
    C     18.56833851     18.62989375     12.27296995      4.06974876
    H     17.91604438     17.97004838     11.70628347      0.89781322
    O      7.21709071      7.27642621      9.56748232      6.55796303
    C      7.24233520      7.32708926     12.37563173      4.06910030
    H      7.91526713      7.98373253     11.82986272      0.89763117
    O      3.37263541      7.28627051      5.68942980      6.55837439
    C     13.58502745      7.25750362     18.71955126      4.06962564
    H     14.14658156      7.90736224     18.05283232      0.89789300
    O      3.36420515      5.67508955      7.29198625      6.55778843
    C     13.60739861     18.68099793      7.29796737      4.06953792
    H     14.15904683     18.01527242      7.95715175      0.89796328
    O      9.48688332      5.67240486      5.70113788      6.51991000
    N     12.03765901     18.74876431     18.79932427      5.35980640
    O      9.50668702      7.28687426      7.29827629      6.55881559
    C     12.32480189      7.32268587      7.32849724      4.16110307
    H     11.79759594      8.01263814      7.97967725      0.89312064
    O      5.62481716      3.38560833      7.29172059      6.55802040
    C     18.62978950     13.59448596      7.25183606      4.06958557
    H     17.95853959     14.14281325      7.90807733      0.89796047
    O      7.23807520      3.39999311      5.69330027      6.55583141
    C      7.16183509     13.77321154     18.77250905      4.06938704
    H      7.82341315     14.33860061     18.12099094      0.89719282
    O      5.64098130      9.54462070      5.66698283      6.55787308
    C     18.55259642     12.21898788     18.68580901      4.06971597
    H     17.90375438     11.65113061     18.02341345      0.89779956
    O      7.21475512      9.55717410      7.30637930      6.55792671
    C      7.25116731     12.36691229      7.34074750      4.06908277
    H      7.91940308     11.82273746      8.00336103      0.89769852
    O     18.57984543     20.31284846     22.62241850      6.55743173
    C     18.62982002      7.18109807     12.27323962      4.06974897
    H     17.97363606      7.83509234     11.70447338      0.89770874
    O     20.15152438     18.67270308     22.63542432      6.55719578
    C      7.18530242     18.76158404     12.37742595      4.06965644
    H      7.85353277     18.10033019     11.83150055      0.89841844
    O     18.56626070     18.68709936     16.47403542      6.56121521
    C     18.54435339     18.63227106     13.66403657      4.07006326
    H     17.87190816     17.97451075     14.20924971      0.90038727
    O     20.16550986     20.30143154     16.48274574      6.55722168
    C      7.21862796      7.32938024     13.76672018      4.06927820
    H      7.87200009      7.98853329     14.33305525      0.89770019
    O     20.15640372     16.42974713     20.34640817      6.55746978
    C      7.22956619     13.75799770      7.33820118      4.06934096
    H      7.88012134     14.32664651      7.99824153      0.89753123
    O     18.54107027     16.42192979     18.74840333      6.56122730
    C     18.53024835     13.61014012     18.68391393      4.07010931
    H     17.86345509     14.15427239     18.01952576      0.90052799
    O     18.58196576     22.58071308     20.35066006      6.55722035
    C     18.64147975     12.20346905      7.24543784      4.06980062
    H     17.98030969     11.63761252      7.89688869      0.89779662
    O     20.17081546     22.58776681     18.72734051      6.55723814
    C      7.17290069     12.38195683     18.76532569      4.06961392
    H      7.84349041     11.83384144     18.10803760      0.89842729
    O     16.31837080     18.71901879     18.77071952      6.59878345
    C     13.39766807     18.70053064     18.75993231      3.62636268
    N     13.94137909     17.79447244     17.88409225      5.42652107
    O     16.30858329     20.33238689     20.36652941      6.55363644
    C     13.71342496      7.27000619      7.29454325      4.03480288
    H     14.31225304      7.92212663      7.92586151      0.89491405
    O     22.42959391     18.67728498     20.34290095      6.55790292
    C     12.21632956     18.70101287      7.30808622      4.06967373
    H     11.65438572     18.05139021      7.97477023      0.89804050
    O     22.43845983     20.28770054     18.73901189      6.55776788
    C     12.19397437      7.27760377     18.72956144      4.06964003
    H     11.64205273      7.94334386     18.07056229      0.89815982
    C      6.44113563      6.46301591      2.81887642      3.28919472
    C      6.45687807      6.45788268      1.32100251      4.06782183
    C      6.41612655      6.46619122     10.15519392      3.28838168
    C      6.39474224      6.47010990     11.65369124      4.06778925
    C      2.77479201      6.48939871      6.49643721      3.28842957
    C      1.27690367      6.51160090      6.50912944      4.06834257
    C     10.09145643      6.47023440      6.49482303      3.31966993
    C     11.59653898      6.45553541      6.49205977      3.88253161
    C      6.43531672      2.79789977      6.48981366      3.28933858
    C      6.44532067      1.30005410      6.48350040      4.06772938
    C      6.42324333     10.14455205      6.48632638      3.28852029
    C      6.40653615     11.64318226      6.48233283      4.06773734
    C     19.35902492     19.49201782     23.22394239      3.28872725
    C     19.34341567     19.49354379     24.72090201      4.06895980
    C     19.37291298     19.49257316     15.88359325      3.28747886
    C     19.39216941     19.48906610     14.38622555      4.06939319
    C     19.35510564     15.83097107     19.54582713      3.28753822
    C     19.37314191     14.33378050     19.54426090      4.06929960
    C     19.37136480     23.17944099     19.53747101      3.28878653
    C     19.35892796     24.67652136     19.53565472      4.06895783
    C     15.70607408     19.53020414     19.56900370      3.28010129
    C     14.21645221     19.54565952     19.57990509      4.19899033
    C     23.02764249     19.47194040     19.53373497      3.28806912
    C     24.52463482     19.44716927     19.51865263      4.06919166
    H     13.32144899     17.21252054     17.33793062      0.75868442
    H     14.94939473     17.70001122     17.80696402      0.73734659
  107
Geometry Step: 44
   Zn      7.58732058      5.31928933      5.34448536     11.21139147
   Zn      5.29283185      7.62211508      5.32594810     11.20797364
   Zn      5.28345321      5.30971259      7.63417956     11.20797034
   Zn      7.58639667      7.63448500      7.64859745     11.20685310
   Zn     18.22633592     20.66415273     20.70416717     11.20786687
   Zn     20.51365545     18.34595482     20.71667386     11.20750999
   Zn     18.24233844     18.35316112     18.40233245     11.20867659
   Zn     20.52479970     20.66628155     18.39960413     11.20743457
    O      6.43274454      6.47767696      6.49596064      6.72616856
    O     19.38008535     19.50724135     19.55390940      6.72204686
    O      7.22376679      5.64779768      3.42281599      6.55645086
    C      7.17073346     18.77057327     13.76865526      4.06934264
    H      7.82773252     18.11662673     14.33663209      0.89712660
    O      5.64498701      7.28053554      3.40465503      6.55789323
    C     18.61509920      7.18956592     13.66436561      4.06955670
    H     17.94622447      7.85076982     14.20974776      0.89808194
    O      5.62893205      5.65107188      9.55607946      6.55777947
    C     18.56832273     18.62981539     12.27283615      4.06974642
    H     17.91594741     17.96992599     11.70639328      0.89782159
    O      7.21747714      7.27644987      9.56799736      6.55793977
    C      7.24235780      7.32700045     12.37590539      4.06909727
    H      7.91502430      7.98374364     11.82996929      0.89761849
    O      3.37231476      7.28599167      5.68891840      6.55846598
    C     13.58502241      7.25729702     18.71954833      4.06964567
    H     14.14643463      7.90710226     18.05284065      0.89788380
    O      3.36412397      5.67525833      7.29158689      6.55784525
    C     13.60736986     18.68103804      7.29786100      4.06953198
    H     14.15877662     18.01510712      7.95685884      0.89796314
    O      9.48712861      5.67214823      5.70091513      6.51980778
    N     12.03751218     18.74971590     18.79852595      5.35998787
    O      9.50645117      7.28685999      7.29837125      6.55879172
    C     12.32485956      7.32218445      7.32932054      4.16101683
    H     11.79849636      8.01262727      7.98023970      0.89309586
    O      5.62458420      3.38599155      7.29119456      6.55801445
    C     18.62968664     13.59475984      7.25182912      4.06958307
    H     17.95851000     14.14322310      7.90845341      0.89799747
    O      7.23796700      3.39956442      5.69284924      6.55593693
    C      7.16158513     13.77316970     18.77266418      4.06938540
    H      7.82324694     14.33879652     18.12129288      0.89718858
    O      5.64098596      9.54437663      5.66695503      6.55793491
    C     18.55253899     12.21889178     18.68580008      4.06972217
    H     17.90362545     11.65111406     18.02347954      0.89779406
    O      7.21509589      9.55715421      7.30588449      6.55790555
    C      7.25114611     12.36698773      7.34106809      4.06906767
    H      7.91937866     11.82258927      8.00357231      0.89768308
    O     18.57973300     20.31282485     22.62253153      6.55745007
    C     18.62980642      7.18110420     12.27339020      4.06972778
    H     17.97372964      7.83544536     11.70474406      0.89770634
    O     20.15211041     18.67327941     22.63544308      6.55720126
    C      7.18509139     18.76164444     12.37751942      4.06964759
    H      7.85369291     18.10041013     11.83166784      0.89844389
    O     18.56598127     18.68759230     16.47390871      6.56124435
    C     18.54438560     18.63228726     13.66388156      4.07005343
    H     17.87207502     17.97451464     14.20926724      0.90038848
    O     20.16575195     20.30137611     16.48290375      6.55722788
    C      7.21871245      7.32940956     13.76695259      4.06928359
    H      7.87205866      7.98875739     14.33300665      0.89769512
    O     20.15656346     16.42985822     20.34651827      6.55748086
    C      7.22964661     13.75806447      7.33842494      4.06933799
    H      7.88032567     14.32644198      7.99854366      0.89752736
    O     18.54141215     16.42199056     18.74842628      6.56124628
    C     18.53024151     13.61003674     18.68377594      4.07008713
    H     17.86329045     14.15426639     18.01950726      0.90052371
    O     18.58203207     22.58084867     20.35065956      6.55735230
    C     18.64161195     12.20368767      7.24544637      4.06977876
    H     17.98042282     11.63760200      7.89687646      0.89780003
    O     20.17137815     22.58763907     18.72778876      6.55729903
    C      7.17290002     12.38188826     18.76549564      4.06960998
    H      7.84353362     11.83370484     18.10789863      0.89845555
    O     16.31859129     18.71915839     18.77064472      6.59869625
    C     13.39746965     18.70023541     18.75921033      3.62631270
    N     13.94091355     17.79350642     17.88399514      5.42655865
    O     16.30786839     20.33263809     20.36671849      6.55352120
    C     13.71344779      7.27011690      7.29386776      4.03484720
    H     14.31263552      7.92221527      7.92527735      0.89497406
    O     22.43008130     18.67787597     20.34353576      6.55799381
    C     12.21643790     18.70113085      7.30806070      4.06969864
    H     11.65461046     18.05160145      7.97481697      0.89802448
    O     22.43887264     20.28783408     18.73947622      6.55782114
    C     12.19411085      7.27751629     18.72959558      4.06964441
    H     11.64234759      7.94351692     18.07084753      0.89814284
    C      6.44090170      6.46284309      2.81892907      3.28917576
    C      6.45672731      6.45772868      1.32134334      4.06779670
    C      6.41610520      6.46630448     10.15534905      3.28839709
    C      6.39459651      6.47020761     11.65388956      4.06778358
    C      2.77441541      6.48939164      6.49613837      3.28838001
    C      1.27679348      6.51164087      6.50933204      4.06828408
    C     10.09118210      6.47031458      6.49476111      3.31972267
    C     11.59644035      6.45572563      6.49244040      3.88246048
    C      6.43507500      2.79792055      6.48957054      3.28927998
    C      6.44506664      1.30030611      6.48353567      4.06772918
    C      6.42325721     10.14456220      6.48614561      3.28853976
    C      6.40645853     11.64329117      6.48260016      4.06773697
    C     19.35932906     19.49231420     23.22396078      3.28869984
    C     19.34342514     19.49366707     24.72074922      4.06892160
    C     19.37307183     19.49268482     15.88355613      3.28747915
    C     19.39237114     19.48892910     14.38612902      4.06939258
    C     19.35534595     15.83094565     19.54589294      3.28755009
    C     19.37329382     14.33365214     19.54410166      4.06930730
    C     19.37168600     23.17944115     19.53760001      3.28871640
    C     19.35904208     24.67641678     19.53571891      4.06894153
    C     15.70595922     19.52995638     19.56915196      3.28018328
    C     14.21613989     19.54508086     19.57922042      4.19903832
    C     23.02824433     19.47218266     19.53412088      3.28801717
    C     24.52491061     19.44713814     19.51846729      4.06912170
    H     13.32041742     17.21238262     17.33780208      0.75861110
    H     14.94893089     17.69980237     17.80672530      0.73733334
  107
Geometry Step: 45
   Zn      7.58796079      5.31902980      5.34399265     11.21144383
   Zn      5.29255774      7.62184570      5.32549456     11.20797391
   Zn      5.28312130      5.30962072      7.63383140     11.20793743
   Zn      7.58544625      7.63402804      7.64848632     11.20693266
   Zn     18.22582183     20.66376543     20.70428294     11.20787308
   Zn     20.51407352     18.34599104     20.71676365     11.20749653
   Zn     18.24234276     18.35338960     18.40260313     11.20868097
   Zn     20.52541423     20.66624290     18.39955345     11.20738318
    O      6.43232567      6.47701940      6.49528783      6.72617768
    O     19.38039027     19.50744803     19.55399374      6.72208169
    O      7.22422660      5.64802550      3.42259561      6.55638323
    C      7.17043407     18.77041153     13.76874779      4.06934611
    H      7.82748587     18.11636834     14.33658896      0.89712413
    O      5.64436100      7.28013851      3.40460083      6.55776372
    C     18.61513310      7.18939895     13.66457227      4.06957406
    H     17.94621915      7.85069666     14.21001871      0.89808431
    O      5.62888051      5.65165756      9.55567675      6.55785847
    C     18.56834381     18.62978032     12.27270561      4.06974196
    H     17.91587039     17.96978162     11.70658808      0.89783494
    O      7.21796649      7.27650057      9.56868659      6.55793450
    C      7.24238310      7.32688305     12.37620075      4.06909828
    H      7.91473220      7.98378821     11.83012253      0.89759315
    O      3.37177811      7.28576011      5.68817132      6.55852394
    C     13.58506894      7.25699009     18.71949992      4.06967176
    H     14.14621433      7.90677708     18.05278539      0.89787223
    O      3.36386651      5.67539593      7.29125754      6.55787393
    C     13.60735373     18.68102456      7.29767713      4.06953345
    H     14.15846345     18.01484160      7.95647546      0.89795587
    O      9.48760553      5.67156663      5.70066657      6.51971899
    N     12.03729350     18.75095759     18.79737375      5.36010466
    O      9.50620265      7.28653436      7.29848627      6.55875008
    C     12.32516057      7.32171219      7.33009011      4.16093787
    H     11.79938380      8.01232027      7.98119480      0.89311074
    O      5.62409390      3.38641086      7.29060978      6.55793800
    C     18.62960714     13.59511619      7.25179717      4.06960333
    H     17.95853782     14.14358071      7.90878152      0.89802773
    O      7.23786333      3.39896998      5.69224586      6.55600609
    C      7.16123758     13.77309753     18.77277883      4.06938197
    H      7.82305739     14.33887260     18.12161468      0.89717303
    O      5.64091970      9.54411740      5.66691691      6.55799100
    C     18.55253489     12.21878165     18.68586913      4.06972043
    H     17.90351919     11.65121964     18.02355022      0.89780267
    O      7.21548035      9.55721942      7.30532363      6.55790881
    C      7.25110523     12.36707889      7.34140764      4.06905879
    H      7.91932277     11.82245003      8.00380244      0.89765437
    O     18.57942993     20.31280165     22.62271678      6.55741189
    C     18.62989214      7.18124420     12.27356740      4.06971192
    H     17.97385186      7.83593318     11.70519816      0.89771063
    O     20.15297542     18.67399009     22.63556026      6.55716899
    C      7.18489639     18.76179397     12.37759366      4.06964573
    H      7.85386415     18.10059179     11.83191055      0.89845163
    O     18.56561410     18.68818193     16.47366207      6.56129736
    C     18.54444584     18.63234087     13.66373801      4.07004767
    H     17.87232263     17.97452765     14.20929983      0.90037721
    O     20.16616168     20.30123944     16.48307435      6.55723499
    C      7.21877840      7.32939516     13.76721090      4.06928985
    H      7.87207279      7.98900855     14.33292868      0.89769421
    O     20.15684133     16.43003122     20.34661926      6.55748100
    C      7.22964440     13.75815173      7.33863018      4.06932968
    H      7.88047667     14.32613065      7.99888775      0.89754033
    O     18.54186810     16.42193009     18.74840504      6.56127560
    C     18.53022794     13.60992632     18.68368737      4.07007181
    H     17.86313994     14.15428757     18.01955856      0.90050344
    O     18.58201802     22.58110192     20.35066896      6.55746350
    C     18.64184276     12.20397695      7.24553588      4.06975118
    H     17.98057384     11.63777620      7.89690330      0.89779514
    O     20.17226135     22.58752299     18.72830253      6.55730053
    C      7.17286853     12.38177880     18.76574235      4.06962672
    H      7.84352512     11.83366737     18.10787955      0.89847545
    O     16.31861693     18.71925681     18.77055167      6.59863938
    C     13.39717942     18.70019603     18.75828297      3.62631102
    N     13.94014656     17.79206847     17.88420590      5.42662710
    O     16.30720438     20.33276466     20.36675152      6.55349536
    C     13.71371486      7.27045303      7.29300511      4.03488277
    H     14.31306069      7.92225837      7.92470334      0.89498302
    O     22.43079225     18.67852195     20.34444644      6.55805357
    C     12.21653576     18.70134255      7.30806784      4.06972888
    H     11.65494450     18.05187931      7.97491296      0.89800707
    O     22.43951203     20.28808257     18.73990108      6.55784507
    C     12.19427722      7.27746915     18.72970003      4.06965717
    H     11.64271279      7.94376891     18.07122958      0.89811748
    C      6.44064080      6.46265175      2.81909260      3.28919394
    C      6.45647382      6.45756862      1.32167005      4.06779469
    C      6.41607561      6.46644489     10.15554832      3.28840362
    C      6.39443643      6.47025219     11.65413292      4.06777934
    C      2.77405590      6.48939293      6.49577840      3.28835478
    C      1.27659927      6.51157578      6.50946415      4.06825028
    C     10.09097432      6.47019729      6.49469486      3.31976336
    C     11.59640913      6.45613055      6.49261747      3.88242419
    C      6.43478348      2.79807292      6.48937045      3.28925923
    C      6.44472760      1.30056314      6.48354678      4.06775662
    C      6.42324591     10.14457388      6.48590331      3.28854877
    C      6.40630341     11.64342309      6.48290658      4.06773589
    C     19.35966108     19.49266841     23.22388262      3.28870894
    C     19.34349860     19.49380687     24.72063204      4.06890374
    C     19.37328411     19.49284660     15.88351197      3.28746896
    C     19.39261485     19.48885651     14.38602087      4.06939565
    C     19.35570180     15.83091699     19.54600053      3.28755657
    C     19.37352525     14.33350716     19.54394781      4.06931703
    C     19.37205211     23.17931796     19.53766260      3.28867876
    C     19.35922842     24.67633336     19.53584148      4.06894799
    C     15.70570350     19.52944315     19.56944832      3.28020840
    C     14.21594011     19.54476130     19.57839730      4.19902996
    C     23.02885987     19.47248845     19.53459787      3.28799165
    C     24.52530893     19.44721971     19.51835721      4.06907555
    H     13.31864353     17.21221955     17.33767683      0.75850916
    H     14.94829717     17.69947058     17.80625358      0.73730101
  107
Geometry Step: 46
   Zn      7.58845583      5.31881329      5.34356049     11.21150951
   Zn      5.29220015      7.62159396      5.32506443     11.20800997
   Zn      5.28282668      5.30955734      7.63342429     11.20795062
   Zn      7.58471885      7.63354833      7.64839977     11.20696771
   Zn     18.22545270     20.66332413     20.70436803     11.20788774
   Zn     20.51453284     18.34614527     20.71683245     11.20752305
   Zn     18.24233877     18.35357345     18.40284635     11.20866916
   Zn     20.52598382     20.66622078     18.39966266     11.20738364
    O      6.43205167      6.47655601      6.49463382      6.72616804
    O     19.38069136     19.50757050     19.55406939      6.72206653
    O      7.22472578      5.64823198      3.42238978      6.55627750
    C      7.16999161     18.77012629     13.76881110      4.06936115
    H      7.82719899     18.11605330     14.33640977      0.89712887
    O      5.64358888      7.27969801      3.40444608      6.55761745
    C     18.61511201      7.18915822     13.66478425      4.06959157
    H     17.94625251      7.85052109     14.21021625      0.89806344
    O      5.62872084      5.65232916      9.55537665      6.55794169
    C     18.56842242     18.62983213     12.27261435      4.06973937
    H     17.91585554     17.96965538     11.70682913      0.89785361
    O      7.21847880      7.27656270      9.56938560      6.55794480
    C      7.24234922      7.32673275     12.37643607      4.06910741
    H      7.91442998      7.98385334     11.83032225      0.89756381
    O      3.37109391      7.28559720      5.68728685      6.55851974
    C     13.58516738      7.25660085     18.71942406      4.06969556
    H     14.14598727      7.90642812     18.05264819      0.89786790
    O      3.36347861      5.67548138      7.29105783      6.55785437
    C     13.60737739     18.68097817      7.29739576      4.06953611
    H     14.15818266     18.01449621      7.95604055      0.89795144
    O      9.48825849      5.67075702      5.70052109      6.51970133
    N     12.03699141     18.75225083     18.79598101      5.36011330
    O      9.50589789      7.28581857      7.29856087      6.55872891
    C     12.32565554      7.32138987      7.33060197      4.16090683
    H     11.80012981      8.01169576      7.98245966      0.89315849
    O      5.62342315      3.38678785      7.29001560      6.55781402
    C     18.62959557     13.59549378      7.25172046      4.06963255
    H     17.95866735     14.14380417      7.90894089      0.89804203
    O      7.23774579      3.39840096      5.69162422      6.55601673
    C      7.16080526     13.77297924     18.77285600      4.06938607
    H      7.82282336     14.33879153     18.12192948      0.89715229
    O      5.64078688      9.54393331      5.66687100      6.55803548
    C     18.55260740     12.21869176     18.68602692      4.06972446
    H     17.90347551     11.65142859     18.02362839      0.89782250
    O      7.21584408      9.55731663      7.30478528      6.55794474
    C      7.25098819     12.36712487      7.34165302      4.06905577
    H      7.91922165     11.82238133      8.00399721      0.89762620
    O     18.57899612     20.31273332     22.62290541      6.55733546
    C     18.63011467      7.18151624     12.27375975      4.06970763
    H     17.97402288      7.83647742     11.70578863      0.89772311
    O     20.15398734     18.67480439     22.63574185      6.55711595
    C      7.18473792     18.76204348     12.37764413      4.06964428
    H      7.85397778     18.10092378     11.83220250      0.89843751
    O     18.56521851     18.68879245     16.47339080      6.56136378
    C     18.54458648     18.63245629     13.66367849      4.07005239
    H     17.87263132     17.97456443     14.20933162      0.90035977
    O     20.16670126     20.30101174     16.48320135      6.55725203
    C      7.21879141      7.32930757     13.76745399      4.06929827
    H      7.87201049      7.98923027     14.33286028      0.89769995
    O     20.15720813     16.43020875     20.34668850      6.55748179
    C      7.22952552     13.75823861      7.33877188      4.06933164
    H      7.88051027     14.32578809      7.99920013      0.89756614
    O     18.54237667     16.42179154     18.74833776      6.56131073
    C     18.53026494     13.60988197     18.68373636      4.07006422
    H     17.86305456     14.15431370     18.01971042      0.90047768
    O     18.58194776     22.58133817     20.35063137      6.55753144
    C     18.64218814     12.20431474      7.24567391      4.06973126
    H     17.98079939     11.63814891      7.89694217      0.89778804
    O     20.17333096     22.58745052     18.72885709      6.55724796
    C      7.17278536     12.38164407     18.76605885      4.06964972
    H      7.84342506     11.83376828     18.10805569      0.89847978
    O     16.31841451     18.71919414     18.77047408      6.59862263
    C     13.39682908     18.70050695     18.75728903      3.62637393
    N     13.93911217     17.79035671     17.88477975      5.42668007
    O     16.30673710     20.33265196     20.36661013      6.55358118
    C     13.71422729      7.27095124      7.29213810      4.03491866
    H     14.31348036      7.92221550      7.92417757      0.89491380
    O     22.43162207     18.67915596     20.34551713      6.55805243
    C     12.21661156     18.70165108      7.30809276      4.06975495
    H     11.65531814     18.05219659      7.97505732      0.89800054
    O     22.44026830     20.28841826     18.74022231      6.55781959
    C     12.19443433      7.27744882     18.72991231      4.06966847
    H     11.64308101      7.94407052     18.07167449      0.89809766
    C      6.44039536      6.46246270      2.81929917      3.28923798
    C      6.45611982      6.45746882      1.32187759      4.06781717
    C      6.41605646      6.46660725     10.15575593      3.28839746
    C      6.39427945      6.47018846     11.65437744      4.06776891
    C      2.77377478      6.48937876      6.49539501      3.28836514
    C      1.27632446      6.51139757      6.50946990      4.06824977
    C     10.09097527      6.46986514      6.49466284      3.31976203
    C     11.59650417      6.45670775      6.49246615      3.88242469
    C      6.43446275      2.79831694      6.48919555      3.28927904
    C      6.44434047      1.30075080      6.48358916      4.06780459
    C      6.42320527     10.14457546      6.48565717      3.28853864
    C      6.40606585     11.64353678      6.48316740      4.06772750
    C     19.35996515     19.49303622     23.22376627      3.28874400
    C     19.34365982     19.49390377     24.72061659      4.06891085
    C     19.37350437     19.49302822     15.88347646      3.28744575
    C     19.39287772     19.48891027     14.38593672      4.06939296
    C     19.35613401     15.83090336     19.54610975      3.28754876
    C     19.37382562     14.33339622     19.54386736      4.06931872
    C     19.37242331     23.17911560     19.53768941      3.28867784
    C     19.35948135     24.67631288     19.53595311      4.06897549
    C     15.70535692     19.52879744     19.56972373      3.28016346
    C     14.21590827     19.54478237     19.57758249      4.19895961
    C     23.02938591     19.47284069     19.53511316      3.28800360
    C     24.52579718     19.44742078     19.51837488      4.06906447
    H     13.31631807     17.21208508     17.33759676      0.75840435
    H     14.94745239     17.69901413     17.80553023      0.73726937
  107
Geometry Step: 47
   Zn      7.58863908      5.31868498      5.34331454     11.21153006
   Zn      5.29182126      7.62143769      5.32478386     11.20804436
   Zn      5.28260159      5.30954812      7.63310239     11.20798015
   Zn      7.58441184      7.63317742      7.64834343     11.20693771
   Zn     18.22529041     20.66302274     20.70440999     11.20787196
   Zn     20.51494541     18.34640815     20.71688372     11.20755318
   Zn     18.24236959     18.35370679     18.40300947     11.20864744
   Zn     20.52638686     20.66623705     18.39991621     11.20741188
    O      6.43197958      6.47641720      6.49418683      6.72615059
    O     19.38091427     19.50761926     19.55416536      6.72201705
    O      7.22504319      5.64838797      3.42226736      6.55619936
    C      7.16948351     18.76986563     13.76883473      4.06938299
    H      7.82690166     18.11582014     14.33615799      0.89713704
    O      5.64292526      7.27927877      3.40425412      6.55753001
    C     18.61511785      7.18888258     13.66492926      4.06960493
    H     17.94635716      7.85023431     14.21028744      0.89802858
    O      5.62849780      5.65285268      9.55528602      6.55801479
    C     18.56857371     18.62998365     12.27258258      4.06972906
    H     17.91594738     17.96962188     11.70700484      0.89787634
    O      7.21881388      7.27658854      9.56982810      6.55796433
    C      7.24222321      7.32657633     12.37658487      4.06912292
    H      7.91419089      7.98389928     11.83056588      0.89754578
    O      3.37046460      7.28546981      5.68654710      6.55846993
    C     13.58528796      7.25621228     18.71939189      4.06971120
    H     14.14584790      7.90611876     18.05250868      0.89787174
    O      3.36307940      5.67549326      7.29098013      6.55780827
    C     13.60745116     18.68096746      7.29704412      4.06953569
    H     14.15803650     18.01422313      7.95563585      0.89795496
    O      9.48884035      5.67005129      5.70055095      6.51977958
    N     12.03664010     18.75308542     18.79489806      5.36002670
    O      9.50560352      7.28498121      7.29855296      6.55874555
    C     12.32619638      7.32131849      7.33067230      4.16091369
    H     11.80064631      8.01097590      7.98355776      0.89321399
    O      5.62280336      3.38700110      7.28953624      6.55771400
    C     18.62973412     13.59576832      7.25157606      4.06965517
    H     17.95890091     14.14381886      7.90883325      0.89803684
    O      7.23759267      3.39809442      5.69122549      6.55598582
    C      7.16035078     13.77285777     18.77296255      4.06940090
    H      7.82253071     14.33859689     18.12220922      0.89713479
    O      5.64062601      9.54389801      5.66679396      6.55807303
    C     18.55277270     12.21865251     18.68625314      4.06972121
    H     17.90354282     11.65162968     18.02373341      0.89785273
    O      7.21604313      9.55737160      7.30440691      6.55799651
    C      7.25078955     12.36714910      7.34169270      4.06906263
    H      7.91907376     11.82247626      8.00407677      0.89761329
    O     18.57864742     20.31261078     22.62303146      6.55728470
    C     18.63047319      7.18177027     12.27390521      4.06971446
    H     17.97425117      7.83686150     11.70633926      0.89773784
    O     20.15482916     18.67553693     22.63592211      6.55707877
    C      7.18459693     18.76234616     12.37766932      4.06964391
    H      7.85396091     18.10135630     11.83246053      0.89840941
    O     18.56495259     18.68928196     16.47324637      6.56141672
    C     18.54480413     18.63261736     13.66369256      4.07006594
    H     17.87291900     17.97463190     14.20930739      0.90034767
    O     20.16722034     20.30079174     16.48324026      6.55729011
    C      7.21870572      7.32914497     13.76763189      4.06929743
    H      7.87184620      7.98931612     14.33287901      0.89771428
    O     20.15756053     16.43033209     20.34674099      6.55750673
    C      7.22928084     13.75830689      7.33877916      4.06933185
    H      7.88036650     14.32558005      7.99934228      0.89760141
    O     18.54280150     16.42168504     18.74828853      6.56133639
    C     18.53037604     13.60989197     18.68394686      4.07006871
    H     17.86308150     14.15427634     18.01994347      0.90046047
    O     18.58192030     22.58142481     20.35051188      6.55756044
    C     18.64262162     12.20459282      7.24572376      4.06972870
    H     17.98112073     11.63859930      7.89691217      0.89778353
    O     20.17424976     22.58745869     18.72933680      6.55717940
    C      7.17260761     12.38153677     18.76638976      4.06966532
    H      7.84323313     11.83399184     18.10841393      0.89846885
    O     16.31806859     18.71888159     18.77042092      6.59862567
    C     13.39643852     18.70095702     18.75656346      3.62645742
    N     13.93806677     17.78902733     17.88539619      5.42668006
    O     16.30658586     20.33229782     20.36635291      6.55373366
    C     13.71477313      7.27134634      7.29153436      4.03493524
    H     14.31391068      7.92208946      7.92376682      0.89481946
    O     22.43232731     18.67967918     20.34641773      6.55800453
    C     12.21665939     18.70200149      7.30807721      4.06976930
    H     11.65561572     18.05250113      7.97516273      0.89800746
    O     22.44091125     20.28874143     18.74042114      6.55776821
    C     12.19453400      7.27740665     18.73022742      4.06967072
    H     11.64334737      7.94428010     18.07209629      0.89809431
    C      6.44022869      6.46233100      2.81938250      3.28927524
    C      6.45576661      6.45745744      1.32185793      4.06784078
    C      6.41604812      6.46672808     10.15592062      3.28837857
    C      6.39414863      6.47000248     11.65455890      4.06775511
    C      2.77355655      6.48931550      6.49507708      3.28839597
    C      1.27600018      6.51115824      6.50933525      4.06826634
    C     10.09120947      6.46943430      6.49471936      3.31971370
    C     11.59669577      6.45719937      6.49209672      3.88245479
    C      6.43418262      2.79849466      6.48905994      3.28931529
    C      6.44402161      1.30078970      6.48367223      4.06783883
    C      6.42313543     10.14457242      6.48547818      3.28850861
    C      6.40578115     11.64359298      6.48325234      4.06771734
    C     19.36017500     19.49330577     23.22375044      3.28877403
    C     19.34387924     19.49392848     24.72075485      4.06892392
    C     19.37367201     19.49319742     15.88345991      3.28741594
    C     19.39310446     19.48910457     14.38590722      4.06938503
    C     19.35652205     15.83091981     19.54619410      3.28752464
    C     19.37413862     14.33337114     19.54393200      4.06931373
    C     19.37272932     23.17898452     19.53770344      3.28869646
    C     19.35973842     24.67638552     19.53599485      4.06899747
    C     15.70504830     19.52825853     19.56976157      3.28008295
    C     14.21595568     19.54503022     19.57699733      4.19889124
    C     23.02977060     19.47317400     19.53554110      3.28803801
    C     24.52629082     19.44768355     19.51852633      4.06907666
    H     13.31421763     17.21202506     17.33754943      0.75834118
    H     14.94653412     17.69856400     17.80477052      0.73726026
  107
Geometry Step: 48
   Zn      7.58860818      5.31857150      5.34318873     11.21149652
   Zn      5.29141789      7.62134899      5.32461741     11.20805231
   Zn      5.28238758      5.30957098      7.63286884     11.20799473
   Zn      7.58430076      7.63284298      7.64825799     11.20687753
   Zn     18.22516060     20.66288621     20.70441534     11.20780882
   Zn     20.51534518     18.34676422     20.71693591     11.20755921
   Zn     18.24250478     18.35388862     18.40316129     11.20862713
   Zn     20.52669604     20.66629996     18.40026863     11.20743389
    O      6.43199248      6.47643485      6.49386021      6.72612608
    O     19.38109725     19.50769781     19.55434339      6.72194879
    O      7.22520305      5.64853291      3.42219339      6.55617182
    C      7.16891812     18.76969153     13.76884424      4.06940347
    H      7.82656121     18.11568585     14.33591047      0.89714439
    O      5.64236111      7.27882082      3.40408456      6.55750931
    C     18.61521633      7.18856704     13.66500765      4.06960973
    H     17.94653190      7.84985241     14.21031115      0.89800088
    O      5.62824731      5.65323284      9.55533528      6.55808365
    C     18.56879022     18.63019235     12.27255848      4.06971774
    H     17.91611952     17.96968252     11.70709605      0.89789576
    O      7.21898442      7.27657580      9.57004647      6.55798964
    C      7.24201928      7.32641187     12.37670548      4.06913964
    H      7.91398549      7.98393000     11.83087556      0.89753914
    O      3.36989693      7.28528103      5.68592728      6.55841456
    C     13.58540961      7.25582325     18.71942447      4.06971734
    H     14.14580158      7.90582328     18.05241266      0.89788223
    O      3.36269262      5.67545226      7.29090347      6.55777019
    C     13.60756447     18.68101899      7.29662457      4.06952970
    H     14.15801638     18.01405977      7.95523298      0.89796720
    O      9.48928975      5.66959262      5.70065243      6.51991606
    N     12.03617485     18.75344782     18.79424657      5.35990256
    O      9.50529005      7.28427263      7.29847053      6.55877887
    C     12.32668797      7.32140454      7.33046601      4.16092004
    H     11.80114480      8.01031695      7.98442098      0.89325933
    O      5.62226978      3.38711133      7.28908728      6.55766128
    C     18.63004132     13.59593343      7.25136397      4.06966130
    H     17.95921093     14.14370565      7.90853647      0.89803016
    O      7.23737161      3.39797675      5.69097979      6.55595044
    C      7.15985473     13.77275117     18.77316529      4.06942099
    H      7.82214628     14.33838208     18.12251242      0.89711973
    O      5.64044889      9.54395640      5.66666974      6.55811118
    C     18.55300861     12.21861412     18.68651924      4.06972504
    H     17.90369421     11.65176511     18.02390341      0.89787766
    O      7.21612592      9.55734687      7.30409655      6.55805232
    C      7.25051828     12.36717204      7.34157336      4.06906965
    H      7.91886978     11.82272534      8.00408642      0.89761755
    O     18.57845376     20.31246328     22.62310286      6.55729389
    C     18.63094252      7.18193150     12.27401690      4.06972212
    H     17.97454783      7.83708647     11.70683078      0.89775382
    O     20.15554279     18.67623946     22.63607053      6.55706761
    C      7.18439961     18.76268779     12.37771073      4.06963674
    H      7.85383912     18.10185401     11.83268012      0.89838873
    O     18.56480458     18.68973436     16.47324967      6.56145384
    C     18.54508393     18.63280434     13.66372240      4.07008071
    H     17.87318732     17.97471295     14.20920348      0.90034319
    O     20.16771900     20.30063001     16.48321508      6.55735113
    C      7.21853367      7.32893399     13.76779385      4.06929552
    H      7.87159569      7.98926982     14.33299810      0.89772730
    O     20.15789549     16.43041093     20.34683469      6.55755698
    C      7.22894795     13.75837308      7.33870072      4.06934132
    H      7.88008514     14.32549948      7.99933274      0.89763068
    O     18.54318687     16.42167191     18.74829690      6.56136219
    C     18.53056190     13.60990295     18.68428676      4.07007415
    H     17.86320147     14.15412717     18.02023193      0.90045855
    O     18.58199538     22.58138262     20.35033819      6.55758516
    C     18.64313700     12.20480532      7.24563715      4.06973509
    H     17.98154617     11.63904774      7.89679791      0.89778281
    O     20.17504032     22.58751974     18.72980284      6.55712023
    C      7.17229797     12.38148111     18.76674800      4.06966355
    H      7.84297697     11.83428298     18.10889753      0.89845927
    O     16.31770387     18.71838180     18.77033515      6.59862880
    C     13.39596175     18.70129876     18.75610909      3.62652670
    N     13.93702543     17.78815369     17.88574536      5.42666613
    O     16.30656739     20.33181039     20.36604880      6.55387165
    C     13.71526122      7.27154191      7.29114856      4.03495290
    H     14.31448036      7.92193213      7.92332641      0.89473762
    O     22.43293155     18.68021225     20.34718669      6.55794892
    C     12.21672270     18.70238487      7.30799806      4.06977050
    H     11.65585455     18.05281047      7.97519558      0.89802520
    O     22.44145480     20.28905975     18.74062564      6.55772508
    C     12.19460938      7.27731389     18.73063303      4.06966231
    H     11.64353671      7.94436921     18.07251791      0.89810664
    C      6.44011923      6.46224814      2.81931299      3.28928794
    C      6.45542881      6.45749026      1.32170041      4.06784772
    C      6.41603976      6.46680225     10.15606598      3.28835928
    C      6.39402988      6.46974482     11.65471695      4.06773425
    C      2.77328745      6.48919306      6.49478751      3.28842464
    C      1.27562309      6.51090711      6.50912217      4.06827683
    C     10.09153773      6.46902416      6.49488039      3.31965163
    C     11.59691456      6.45752277      6.49175509      3.88248308
    C      6.43392175      2.79854449      6.48891804      3.28934264
    C      6.44375727      1.30074143      6.48379133      4.06784419
    C      6.42304550     10.14456609      6.48532639      3.28847501
    C      6.40547733     11.64361360      6.48321320      4.06769979
    C     19.36034795     19.49350576     23.22386529      3.28877973
    C     19.34414193     19.49392000     24.72098674      4.06892672
    C     19.37380871     19.49338884     15.88344674      3.28739122
    C     19.39330838     19.48937547     14.38589339      4.06936765
    C     19.35688957     15.83095480     19.54628140      3.28749677
    C     19.37446272     14.33338608     19.54408926      4.06929820
    C     19.37301675     23.17897298     19.53773761      3.28871015
    C     19.35999201     24.67650034     19.53597933      4.06899862
    C     15.70477862     19.52785213     19.56955284      3.28002063
    C     14.21590488     19.54523735     19.57654826      4.19884480
    C     23.03016104     19.47351987     19.53592701      3.28807264
    C     24.52682246     19.44796049     19.51875025      4.06908731
    H     13.31252553     17.21195804     17.33739950      0.75830978
    H     14.94553982     17.69813134     17.80406891      0.73727618
  107
Geometry Step: 49
   Zn      7.58848982      5.31836381      5.34310165     11.21142815
   Zn      5.29096292      7.62128917      5.32453678     11.20803638
   Zn      5.28214700      5.30962005      7.63267319     11.20798863
   Zn      7.58413971      7.63240228      7.64807360     11.20682929
   Zn     18.22486006     20.66287788     20.70435498     11.20770542
   Zn     20.51578727     18.34722556     20.71697014     11.20753996
   Zn     18.24281994     18.35420752     18.40336787     11.20861484
   Zn     20.52697583     20.66640402     18.40072240     11.20744066
    O      6.43201886      6.47642834      6.49350060      6.72608373
    O     19.38127209     19.50788822     19.55466430      6.72185691
    O      7.22535916      5.64874873      3.42214398      6.55618634
    C      7.16829412     18.76954207     13.76887318      4.06942555
    H      7.82616391     18.11555382     14.33567912      0.89714411
    O      5.64177700      7.27819235      3.40401852      6.55753332
    C     18.61536672      7.18822728     13.66505458      4.06961302
    H     17.94674521      7.84940848     14.21036595      0.89798211
    O      5.62797109      5.65361868      9.55544222      6.55817140
    C     18.56904373     18.63040464     12.27253675      4.06969660
    H     17.91629225     17.96979097     11.70715739      0.89791687
    O      7.21908461      7.27656371      9.57013859      6.55800780
    C      7.24178236      7.32626109     12.37683814      4.06915505
    H      7.91377523      7.98400603     11.83124335      0.89753984
    O      3.36933739      7.28495735      5.68528869      6.55836300
    C     13.58554217      7.25545065     18.71944656      4.06972046
    H     14.14582111      7.90554906     18.05230599      0.89789316
    O      3.36232161      5.67539739      7.29074215      6.55775444
    C     13.60773222     18.68107390      7.29616606      4.06952260
    H     14.15810639     18.01393458      7.95480788      0.89798246
    O      9.48967183      5.66944293      5.70067905      6.52009173
    N     12.03554250     18.75351140     18.79392418      5.35977091
    O      9.50486076      7.28381899      7.29827974      6.55879557
    C     12.32710221      7.32164702      7.33019130      4.16092643
    H     11.80177203      8.00971593      7.98529473      0.89328339
    O      5.62178196      3.38723933      7.28850819      6.55764216
    C     18.63046228     13.59602091      7.25115117      4.06965302
    H     17.95954757     14.14351764      7.90816439      0.89802912
    O      7.23704300      3.39790649      5.69068823      6.55591901
    C      7.15931868     13.77265119     18.77345050      4.06944880
    H      7.82168536     14.33815523     18.12284440      0.89710034
    O      5.64023214      9.54404708      5.66652788      6.55816722
    C     18.55328919     12.21855349     18.68680985      4.06972509
    H     17.90384579     11.65185247     18.02414628      0.89790319
    O      7.21623490      9.55720368      7.30369060      6.55809340
    C      7.25021261     12.36717524      7.34140436      4.06907614
    H      7.91860142     11.82305780      8.00413143      0.89763292
    O     18.57837843     20.31230533     22.62309573      6.55736812
    C     18.63146606      7.18205535     12.27411875      4.06972711
    H     17.97487407      7.83729878     11.70735515      0.89776813
    O     20.15630541     18.67708599     22.63613080      6.55706931
    C      7.18413861     18.76304740     12.37779397      4.06962527
    H      7.85366466     18.10239976     11.83290195      0.89837877
    O     18.56467686     18.69030635     16.47337417      6.56147114
    C     18.54540466     18.63297409     13.66372678      4.07009279
    H     17.87346900     17.97475509     14.20903520      0.90034660
    O     20.16827833     20.30049375     16.48313559      6.55745037
    C      7.21832438      7.32870647     13.76793634      4.06928531
    H      7.87131533      7.98914396     14.33316745      0.89774028
    O     20.15826048     16.43044451     20.34701257      6.55764390
    C      7.22857056     13.75837695      7.33862451      4.06934646
    H      7.87975350     14.32541122      7.99927703      0.89766093
    O     18.54366332     16.42175794     18.74835210      6.56139296
    C     18.53080006     13.60985176     18.68471772      4.07007916
    H     17.86339524     14.15383911     18.02056844      0.90047180
    O     18.58217207     22.58122763     20.35014695      6.55761721
    C     18.64368134     12.20497252      7.24549228      4.06974498
    H     17.98201607     11.63952549      7.89670340      0.89778238
    O     20.17585598     22.58757203     18.73040549      6.55706155
    C      7.17186484     12.38146436     18.76713238      4.06964682
    H      7.84269186     11.83462566     18.10948477      0.89845456
    O     16.31738197     18.71781300     18.77014174      6.59860953
    C     13.39530872     18.70136496     18.75575783      3.62656872
    N     13.93590882     17.78752710     17.88576399      5.42660824
    O     16.30649218     20.33124241     20.36571555      6.55398921
    C     13.71565313      7.27157270      7.29089175      4.03496606
    H     14.31528577      7.92183102      7.92272835      0.89468779
    O     22.43352257     18.68091680     20.34799741      6.55789516
    C     12.21684264     18.70277462      7.30792085      4.06976444
    H     11.65611667     18.05311215      7.97521251      0.89804759
    O     22.44195941     20.28941342     18.74094989      6.55770339
    C     12.19469784      7.27722205     18.73108720      4.06964834
    H     11.64370772      7.94440732     18.07296096      0.89812659
    C      6.44005400      6.46219990      2.81918082      3.28927257
    C      6.45506094      6.45752916      1.32154000      4.06784226
    C      6.41605125      6.46689325     10.15621236      3.28834284
    C      6.39392125      6.46946360     11.65487721      4.06771186
    C      2.77292688      6.48902366      6.49446506      3.28844299
    C      1.27519746      6.51067527      6.50887975      4.06827515
    C     10.09182626      6.46872087      6.49514259      3.31959314
    C     11.59707798      6.45774274      6.49158104      3.88249838
    C      6.43363812      2.79850333      6.48869318      3.28935241
    C      6.44348779      1.30068338      6.48395537      4.06782796
    C      6.42297379     10.14452276      6.48516763      3.28844188
    C      6.40515477     11.64357593      6.48314312      4.06767951
    C     19.36055025     19.49370879     23.22402224      3.28875654
    C     19.34445995     19.49392848     24.72121466      4.06892199
    C     19.37392786     19.49363461     15.88342333      3.28737055
    C     19.39351122     19.48966579     14.38586526      4.06934770
    C     19.35731886     15.83098844     19.54637240      3.28746384
    C     19.37485551     14.33339207     19.54427525      4.06928211
    C     19.37333939     23.17901486     19.53783262      3.28871058
    C     19.36024461     24.67658013     19.53594464      4.06898142
    C     15.70450093     19.52752596     19.56907627      3.27998467
    C     14.21567521     19.54529034     19.57607174      4.19885778
    C     23.03064791     19.47393259     19.53635796      3.28809935
    C     24.52744186     19.44823026     19.51900259      4.06908851
    H     13.31115011     17.21178554     17.33696521      0.75830332
    H     14.94439404     17.69762992     17.80344069      0.73731916
  107
Geometry Step: 50
   Zn      7.58835958      5.31801330      5.34304453     11.21135219
   Zn      5.29049713      7.62126746      5.32458914     11.20800215
   Zn      5.28191821      5.30972591      7.63252041     11.20796187
   Zn      7.58385941      7.63181183      7.64775691     11.20683264
   Zn     18.22428953     20.66298280     20.70418806     11.20758348
   Zn     20.51624010     18.34775584     20.71694053     11.20749932
   Zn     18.24334184     18.35466236     18.40362908     11.20862078
   Zn     20.52717898     20.66652093     18.40125200     11.20743083
    O      6.43205535      6.47631870      6.49307564      6.72601856
    O     19.38140548     19.50820007     19.55512327      6.72174029
    O      7.22564496      5.64909183      3.42213771      6.55623599
    C      7.16769177     18.76937947     13.76893603      4.06943839
    H      7.82577347     18.11531789     14.33546555      0.89713977
    O      5.64114644      7.27735901      3.40417013      6.55759244
    C     18.61550737      7.18793096     13.66507903      4.06962477
    H     17.94691232      7.84900601     14.21048908      0.89798129
    O      5.62767628      5.65409552      9.55554515      6.55827287
    C     18.56928343     18.63053986     12.27251200      4.06967637
    H     17.91637775     17.96990372     11.70725182      0.89793098
    O      7.21916299      7.27660124      9.57011506      6.55801605
    C      7.24158157      7.32617324     12.37694079      4.06917022
    H      7.91357213      7.98418285     11.83159731      0.89754243
    O      3.36885000      7.28448943      5.68462925      6.55832549
    C     13.58567865      7.25519465     18.71935545      4.06972194
    H     14.14588990      7.90538169     18.05210309      0.89789949
    O      3.36204837      5.67538246      7.29048417      6.55777544
    C     13.60795441     18.68104768      7.29576896      4.06951838
    H     14.15832110     18.01377491      7.95441967      0.89799610
    O      9.48997732      5.66967453      5.70050302      6.52025358
    N     12.03481637     18.75333177     18.79390625      5.35968108
    O      9.50427093      7.28376114      7.29798080      6.55877425
    C     12.32731702      7.32207031      7.32996417      4.16089375
    H     11.80245084      8.00917183      7.98633353      0.89328900
    O      5.62137265      3.38746692      7.28776087      6.55765527
    C     18.63090326     13.59602341      7.25103355      4.06963969
    H     17.95978837     14.14327721      7.90785781      0.89804047
    O      7.23661307      3.39782345      5.69022429      6.55589286
    C      7.15882834     13.77255839     18.77375547      4.06947320
    H      7.82125894     14.33788764     18.12309570      0.89708020
    O      5.63995943      9.54412257      5.66643562      6.55823177
    C     18.55354395     12.21844625     18.68706224      4.06973577
    H     17.90390188     11.65192846     18.02442867      0.89791474
    O      7.21648308      9.55689349      7.30312356      6.55811122
    C      7.24992977     12.36707838      7.34127825      4.06908106
    H      7.91829695     11.82336512      8.00429602      0.89765573
    O     18.57837186     20.31215033     22.62294996      6.55750081
    C     18.63192929      7.18218877     12.27420447      4.06971863
    H     17.97512083      7.83762950     11.70793561      0.89778748
    O     20.15716379     18.67811218     22.63600838      6.55707403
    C      7.18385004     18.76336200     12.37792176      4.06961741
    H      7.85351231     18.10289525     11.83311305      0.89838751
    O     18.56449380     18.69104430     16.47360395      6.56146804
    C     18.54571258     18.63306700     13.66371363      4.07010226
    H     17.87375353     17.97469704     14.20884422      0.90035340
    O     20.16891184     20.30034563     16.48301779      6.55758166
    C      7.21814633      7.32853636     13.76803008      4.06927956
    H      7.87109381      7.98898323     14.33329985      0.89774276
    O     20.15865978     16.43041622     20.34727402      6.55775607
    C      7.22825097     13.75825473      7.33865302      4.06936018
    H      7.87948313     14.32517779      7.99927642      0.89767859
    O     18.54428665     16.42194135     18.74840812      6.56143552
    C     18.53106531     13.60973099     18.68518238      4.07008242
    H     17.86363933     14.15342511     18.02091918      0.90049892
    O     18.58239529     22.58094427     20.34998022      6.55764918
    C     18.64412510     12.20506445      7.24539754      4.06974693
    H     17.98237050     11.64004136      7.89680394      0.89778808
    O     20.17671019     22.58754721     18.73118927      6.55700220
    C      7.17136672     12.38147137     18.76748962      4.06962415
    H      7.84247603     11.83496590     18.11008858      0.89845927
    O     16.31716689     18.71728204     18.76974216      6.59857415
    C     13.39455268     18.70110396     18.75547787      3.62655809
    N     13.93478421     17.78703391     17.88547433      5.42653624
    O     16.30628766     20.33064946     20.36537684      6.55403411
    C     13.71586345      7.27151087      7.29080242      4.03499564
    H     14.31626737      7.92187974      7.92200844      0.89466964
    O     22.43404935     18.68181893     20.34886229      6.55785691
    C     12.21704405     18.70307266      7.30794878      4.06975162
    H     11.65644116     18.05331513      7.97530505      0.89806965
    O     22.44235592     20.28976853     18.74141378      6.55771724
    C     12.19481691      7.27722218     18.73148541      4.06963240
    H     11.64386525      7.94447698     18.07335584      0.89814928
    C      6.44003319      6.46217884      2.81908830      3.28923232
    C      6.45468207      6.45752727      1.32152208      4.06781399
    C      6.41609668      6.46705234     10.15633955      3.28833894
    C      6.39386285      6.46924592     11.65501041      4.06768201
    C      2.77250394      6.48882857      6.49410767      3.28844604
    C      1.27480849      6.51050707      6.50864860      4.06825191
    C     10.09193590      6.46864788      6.49542528      3.31956014
    C     11.59709064      6.45796715      6.49168758      3.88250364
    C      6.43332775      2.79840721      6.48833554      3.28934492
    C      6.44322802      1.30069930      6.48413954      4.06777851
    C      6.42295687     10.14440592      6.48501277      3.28842299
    C      6.40487629     11.64343429      6.48313118      4.06764644
    C     19.36080474     19.49395412     23.22410761      3.28870917
    C     19.34480004     19.49402126     24.72129848      4.06890089
    C     19.37402079     19.49392752     15.88338412      3.28736257
    C     19.39368116     19.48989251     14.38581645      4.06931884
    C     19.35783981     15.83099446     19.54644537      3.28743622
    C     19.37530814     14.33335419     19.54441512      4.06925786
    C     19.37368828     23.17903832     19.53803098      3.28870098
    C     19.36043589     24.67651532     19.53594573      4.06893388
    C     15.70422790     19.52732304     19.56831699      3.28000526
    C     14.21522814     19.54513641     19.57546759      4.19891731
    C     23.03121587     19.47441001     19.53684261      3.28811235
    C     24.52808038     19.44845830     19.51924557      4.06907046
    H     13.31026316     17.21150739     17.33616284      0.75831417
    H     14.94315833     17.69702549     17.80297289      0.73739395
  107
Geometry Step: 51
   Zn      7.58820984      5.31769566      5.34300300     11.21132967
   Zn      5.29017894      7.62132286      5.32483592     11.20797692
   Zn      5.28175950      5.30991310      7.63254282     11.20793383
   Zn      7.58376413      7.63129990      7.64736399     11.20689967
   Zn     18.22356271     20.66319241     20.70404806     11.20749976
   Zn     20.51652653     18.34815500     20.71680269     11.20747201
   Zn     18.24387036     18.35504373     18.40383152     11.20864493
   Zn     20.52721159     20.66653546     18.40165389     11.20742414
    O      6.43208913      6.47617019      6.49281386      6.72596956
    O     19.38135776     19.50853457     19.55556392      6.72165894
    O      7.22604821      5.64946677      3.42215970      6.55627260
    C      7.16738107     18.76925310     13.76897813      4.06943878
    H      7.82561338     18.11496949     14.33516782      0.89713529
    O      5.64068928      7.27663883      3.40455248      6.55766211
    C     18.61555788      7.18782730     13.66508212      4.06964114
    H     17.94687159      7.84890552     14.21052707      0.89801000
    O      5.62744627      5.65448807      9.55561738      6.55833531
    C     18.56940475     18.63051481     12.27249160      4.06966073
    H     17.91628922     17.96993783     11.70741515      0.89793315
    O      7.21914967      7.27671190      9.56992521      6.55801842
    C      7.24151918      7.32619602     12.37698494      4.06917640
    H      7.91346573      7.98442162     11.83181628      0.89755551
    O      3.36865162      7.28405694      5.68422325      6.55830232
    C     13.58576538      7.25522346     18.71913097      4.06971991
    H     14.14588878      7.90547935     18.05178566      0.89789846
    O      3.36198785      5.67541779      7.29025846      6.55781482
    C     13.60815327     18.68091716      7.29564394      4.06952570
    H     14.15854305     18.01358309      7.95426723      0.89799866
    O      9.49003719      5.67029615      5.70006835      6.52032670
    N     12.03429437     18.75282149     18.79440521      5.35966910
    O      9.50386005      7.28427200      7.29764414      6.55866476
    C     12.32723428      7.32250259      7.32989784      4.16086860
    H     11.80281085      8.00888526      7.98711226      0.89327502
    O      5.62122191      3.38774271      7.28715524      6.55770154
    C     18.63113544     13.59593417      7.25109778      4.06962260
    H     17.95969669     14.14293294      7.90786732      0.89807297
    O      7.23625286      3.39776215      5.68969906      6.55587478
    C      7.15860931     13.77247449     18.77391079      4.06948635
    H      7.82113586     14.33748169     18.12304688      0.89707143
    O      5.63969187      9.54415124      5.66646052      6.55827485
    C     18.55365134     12.21833484     18.68715979      4.06974443
    H     17.90378526     11.65201467     18.02460461      0.89791038
    O      7.21680616      9.55649233      7.30258627      6.55808870
    C      7.24980236     12.36689798      7.34129559      4.06908459
    H      7.91811524     11.82351968      8.00456650      0.89768208
    O     18.57841294     20.31205205     22.62269072      6.55761718
    C     18.63210564      7.18231841     12.27424579      4.06970021
    H     17.97507144      7.83805301     11.70851046      0.89780867
    O     20.15782966     18.67889029     22.63569931      6.55706195
    C      7.18366603     18.76349524     12.37801097      4.06961904
    H      7.85350461     18.10303458     11.83331574      0.89842060
    O     18.56430670     18.69169778     16.47385772      6.56143715
    C     18.54587364     18.63302493     13.66365583      4.07010306
    H     17.87391663     17.97451374     14.20865549      0.90036967
    O     20.16940233     20.30024052     16.48290378      6.55768985
    C      7.21809601      7.32851789     13.76801914      4.06927695
    H      7.87107821      7.98888327     14.33326751      0.89773298
    O     20.15895892     16.43032087     20.34754216      6.55784782
    C      7.22816887     13.75800054      7.33880977      4.06936623
    H      7.87944912     14.32475368      7.99943273      0.89768017
    O     18.54487044     16.42215755     18.74842806      6.56146239
    C     18.53126279     13.60955659     18.68545591      4.07008246
    H     17.86378582     14.15297650     18.02112007      0.90053555
    O     18.58253980     22.58061021     20.34991467      6.55765798
    C     18.64423520     12.20503497      7.24547571      4.06974270
    H     17.98233178     11.64054220      7.89721604      0.89780299
    O     20.17728688     22.58741972     18.73183470      6.55695770
    C      7.17103623     12.38146133     18.76767281      4.06960563
    H      7.84251605     11.83522728     18.11039178      0.89848067
    O     16.31709993     18.71695483     18.76918032      6.59853242
    C     13.39397732     18.70062496     18.75537366      3.62651338
    N     13.93414854     17.78692197     17.88505877      5.42645946
    O     16.30601069     20.33017178     20.36510516      6.55399836
    C     13.71578680      7.27138570      7.29091752      4.03500163
    H     14.31705183      7.92203318      7.92152447      0.89471209
    O     22.43428472     18.68256797     20.34943771      6.55783807
    C     12.21727149     18.70310769      7.30812662      4.06973407
    H     11.65684596     18.05323757      7.97553746      0.89808296
    O     22.44246288     20.28997737     18.74182495      6.55775200
    C     12.19493282      7.27736472     18.73161268      4.06962451
    H     11.64403162      7.94463105     18.07347342      0.89816278
    C      6.44005173      6.46218865      2.81915910      3.28918655
    C      6.45444842      6.45745524      1.32174497      4.06777058
    C      6.41614966      6.46725189     10.15635371      3.28834500
    C      6.39389819      6.46922038     11.65502086      4.06766113
    C      2.77221880      6.48867890      6.49386331      3.28843705
    C      1.27466353      6.51048475      6.50851878      4.06821168
    C     10.09176384      6.46890362      6.49554251      3.31958569
    C     11.59691118      6.45801670      6.49209292      3.88248644
    C      6.43310433      2.79836232      6.48795189      3.28931956
    C      6.44308814      1.30084001      6.48425102      4.06771418
    C      6.42300047     10.14421924      6.48494768      3.28842571
    C      6.40476454     11.64319371      6.48322131      4.06761633
    C     19.36105544     19.49415576     23.22397590      3.28865941
    C     19.34502906     19.49422728     24.72109193      4.06886953
    C     19.37404929     19.49416121     15.88336168      3.28737106
    C     19.39373117     19.48993842     14.38578471      4.06929578
    C     19.35828145     15.83097564     19.54646516      3.28742605
    C     19.37566960     14.33329115     19.54442123      4.06923664
    C     19.37393959     23.17893899     19.53827789      3.28868353
    C     19.36046090     24.67623953     19.53603051      4.06887552
    C     15.70404574     19.52732256     19.56741072      3.28006822
    C     14.21474601     19.54498813     19.57483975      4.19901702
    C     23.03161010     19.47477566     19.53719636      3.28811265
    C     24.52844804     19.44855768     19.51938748      4.06903446
    H     13.31028148     17.21141073     17.33528538      0.75833764
    H     14.94234201     17.69664082     17.80307934      0.73745370
  107
Geometry Step: 52
   Zn      7.58820929      5.31744542      5.34297370     11.21135330
   Zn      5.28990313      7.62139842      5.32509475     11.20795750
   Zn      5.28162958      5.31017917      7.63258871     11.20790681
   Zn      7.58368391      7.63090657      7.64704115     11.20699431
   Zn     18.22292518     20.66337424     20.70395206     11.20745031
   Zn     20.51681927     18.34844636     20.71669007     11.20744817
   Zn     18.24430613     18.35530115     18.40397647     11.20866853
   Zn     20.52726925     20.66650875     18.40194946     11.20741506
    O      6.43206008      6.47601095      6.49261496      6.72594305
    O     19.38129905     19.50879997     19.55588429      6.72162085
    O      7.22652541      5.64985316      3.42214709      6.55629858
    C      7.16713728     18.76919083     13.76900259      4.06942470
    H      7.82541373     18.11463313     14.33491924      0.89713593
    O      5.64021214      7.27600491      3.40494467      6.55770901
    C     18.61568729      7.18778500     13.66513536      4.06966621
    H     17.94678744      7.84882288     14.21060682      0.89804959
    O      5.62718712      5.65485626      9.55558077      6.55835638
    C     18.56957489     18.63043435     12.27243437      4.06965332
    H     17.91622658     17.96999293     11.70756629      0.89792771
    O      7.21912476      7.27679408      9.56976809      6.55801044
    C      7.24150396      7.32624543     12.37706911      4.06917717
    H      7.91335274      7.98460773     11.83198127      0.89756676
    O      3.36850625      7.28363754      5.68388102      6.55830204
    C     13.58583820      7.25533068     18.71889477      4.06971778
    H     14.14589170      7.90554946     18.05146531      0.89788938
    O      3.36197827      5.67551565      7.29004613      6.55786094
    C     13.60831367     18.68076655      7.29559347      4.06953987
    H     14.15878445     18.01340834      7.95407431      0.89799114
    O      9.49000328      5.67073715      5.69964128      6.52027773
    N     12.03384650     18.75244191     18.79495964      5.35974227
    O      9.50359448      7.28477465      7.29750101      6.55852472
    C     12.32711692      7.32282700      7.32994492      4.16082856
    H     11.80307552      8.00859171      7.98790084      0.89326739
    O      5.62103807      3.38799748      7.28664589      6.55775220
    C     18.63132224     13.59590012      7.25117551      4.06962057
    H     17.95953196     14.14270712      7.90795522      0.89810685
    O      7.23593661      3.39767775      5.68917466      6.55586870
    C      7.15841961     13.77238622     18.77406052      4.06948098
    H      7.82101940     14.33711258     18.12296273      0.89707294
    O      5.63939935      9.54410962      5.66651343      6.55828489
    C     18.55372654     12.21820686     18.68722918      4.06975332
    H     17.90364857     11.65208414     18.02476548      0.89789045
    O      7.21711040      9.55609280      7.30204715      6.55805141
    C      7.24968914     12.36673605      7.34140089      4.06908518
    H      7.91794923     11.82357319      8.00481863      0.89770410
    O     18.57835167     20.31196041     22.62249187      6.55768795
    C     18.63221828      7.18241365     12.27428612      4.06967325
    H     17.97504280      7.83847104     11.70897177      0.89783133
    O     20.15851139     18.67959453     22.63541907      6.55703556
    C      7.18342656     18.76357852     12.37803216      4.06963401
    H      7.85353383     18.10314570     11.83341011      0.89846057
    O     18.56410681     18.69236073     16.47406564      6.56139744
    C     18.54599357     18.63297074     13.66356141      4.07010111
    H     17.87408272     17.97436632     14.20851018      0.90038338
    O     20.16990096     20.30013741     16.48290321      6.55775654
    C      7.21802246      7.32858909     13.76805197      4.06928148
    H      7.87109691      7.98880610     14.33323874      0.89771568
    O     20.15928427     16.43027636     20.34778045      6.55790763
    C      7.22814862     13.75778050      7.33901587      4.06937181
    H      7.87947731     14.32435967      7.99964552      0.89766457
    O     18.54548708     16.42236674     18.74842017      6.56146340
    C     18.53146052     13.60937716     18.68564462      4.07008015
    H     17.86390982     14.15261699     18.02132175      0.90056658
    O     18.58258060     22.58033237     20.34985832      6.55765335
    C     18.64431233     12.20499982      7.24557865      4.06972656
    H     17.98227156     11.64094474      7.89767149      0.89782501
    O     20.17786957     22.58732772     18.73241021      6.55692373
    C      7.17077070     12.38138809     18.76784206      4.06960595
    H      7.84264087     11.83533131     18.11060235      0.89850166
    O     16.31702830     18.71662391     18.76855897      6.59849521
    C     13.39348793     18.70014819     18.75530373      3.62644128
    N     13.93359581     17.78679122     17.88471336      5.42639104
    O     16.30571119     20.32970539     20.36479433      6.55394902
    C     13.71573331      7.27130702      7.29089840      4.03500759
    H     14.31769535      7.92217966      7.92108621      0.89477011
    O     22.43450947     18.68328443     20.34995469      6.55784483
    C     12.21748118     18.70305726      7.30833122      4.06971930
    H     11.65721312     18.05315976      7.97580371      0.89808398
    O     22.44255335     20.29012080     18.74221504      6.55779702
    C     12.19505545      7.27754791     18.73165286      4.06962626
    H     11.64415096      7.94480691     18.07359512      0.89816276
    C      6.43994964      6.46211328      2.81931598      3.28914906
    C      6.45430455      6.45727535      1.32202798      4.06773561
    C      6.41613334      6.46742529     10.15631629      3.28836129
    C      6.39392409      6.46930692     11.65500103      4.06765094
    C      2.77192928      6.48849475      6.49359082      3.28842343
    C      1.27452085      6.51044822      6.50837290      4.06817442
    C     10.09141146      6.46929724      6.49542548      3.31965181
    C     11.59668840      6.45817580      6.49246093      3.88247191
    C      6.43282693      2.79839248      6.48755344      3.28929138
    C      6.44303013      1.30103389      6.48425979      4.06765958
    C      6.42301118     10.14401051      6.48487520      3.28844391
    C      6.40470490     11.64295609      6.48333300      4.06759701
    C     19.36136986     19.49442729     23.22377373      3.28862488
    C     19.34516513     19.49454928     24.72083043      4.06884643
    C     19.37413799     19.49438180     15.88339305      3.28738839
    C     19.39378872     19.48990573     14.38577966      4.06928297
    C     19.35871809     15.83098352     19.54650245      3.28743128
    C     19.37598221     14.33323045     19.54442767      4.06922255
    C     19.37422186     23.17878166     19.53857207      3.28866962
    C     19.36039671     24.67592189     19.53621495      4.06882979
    C     15.70387882     19.52728050     19.56651790      3.28013157
    C     14.21427118     19.54480949     19.57420233      4.19908874
    C     23.03203016     19.47516793     19.53757743      3.28810480
    C     24.52880899     19.44867737     19.51954740      4.06899872
    H     13.31035400     17.21139583     17.33450153      0.75837114
    H     14.94160017     17.69617172     17.80308447      0.73751460
  107
Geometry Step: 53
   Zn      7.58836276      5.31725071      5.34296162     11.21141476
   Zn      5.28962550      7.62148776      5.32534209     11.20795877
   Zn      5.28153715      5.31053900      7.63260474     11.20789928
   Zn      7.58360848      7.63062940      7.64683322     11.20709606
   Zn     18.22242935     20.66347341     20.70387577     11.20743622
   Zn     20.51717396     18.34865593     20.71661769     11.20743852
   Zn     18.24459947     18.35540959     18.40405648     11.20868476
   Zn     20.52738120     20.66645880     18.40217961     11.20741736
    O      6.43199192      6.47587007      6.49244819      6.72594035
    O     19.38124895     19.50895375     19.55605823      6.72162446
    O      7.22711980      5.65028073      3.42213072      6.55629722
    C      7.16689715     18.76911935     13.76898563      4.06940931
    H      7.82511046     18.11427942     14.33470684      0.89714128
    O      5.63962102      7.27538585      3.40532106      6.55772371
    C     18.61589267      7.18777687     13.66525353      4.06969222
    H     17.94669876      7.84866737     14.21073539      0.89809052
    O      5.62684766      5.65528495      9.55542792      6.55833645
    C     18.56983442     18.63033405     12.27237626      4.06965628
    H     17.91623022     17.97007998     11.70771456      0.89792181
    O      7.21913043      7.27684387      9.56967754      6.55799130
    C      7.24151408      7.32630364     12.37716467      4.06916867
    H      7.91322115      7.98475801     11.83209219      0.89757552
    O      3.36833779      7.28324459      5.68349722      6.55830167
    C     13.58592254      7.25547222     18.71862887      4.06971450
    H     14.14591569      7.90555106     18.05109947      0.89787754
    O      3.36197487      5.67567475      7.28988270      6.55789266
    C     13.60844964     18.68058161      7.29556475      4.06955939
    H     14.15907104     18.01320191      7.95377782      0.89797954
    O      9.48995896      5.67088414      5.69929774      6.52015650
    N     12.03342908     18.75234724     18.79532898      5.35983180
    O      9.50341812      7.28503790      7.29753625      6.55838168
    C     12.32708621      7.32309815      7.33009267      4.16080656
    H     11.80322860      8.00813614      7.98891803      0.89327000
    O      5.62072154      3.38825283      7.28617782      6.55778923
    C     18.63148787     13.59595357      7.25124765      4.06962572
    H     17.95936237     14.14260946      7.90803900      0.89813707
    O      7.23563471      3.39758758      5.68861821      6.55585047
    C      7.15821504     13.77224915     18.77418384      4.06947010
    H      7.82084864     14.33675452     18.12287293      0.89707915
    O      5.63904335      9.54400019      5.66660262      6.55825828
    C     18.55381396     12.21809271     18.68732518      4.06975695
    H     17.90351679     11.65217164     18.02492960      0.89786740
    O      7.21741270      9.55569177      7.30147295      6.55800338
    C      7.24955356     12.36656055      7.34158459      4.06908328
    H      7.91777401     11.82350436      8.00505557      0.89772078
    O     18.57810499     20.31183903     22.62233940      6.55769948
    C     18.63231444      7.18255567     12.27435575      4.06964996
    H     17.97509560      7.83892569     11.70934874      0.89785323
    O     20.15931175     18.68035695     22.63519726      6.55699277
    C      7.18311935     18.76365364     12.37797340      4.06965483
    H      7.85356222     18.10334754     11.83339610      0.89849810
    O     18.56385014     18.69308909     16.47422275      6.56135782
    C     18.54611559     18.63294223     13.66348129      4.07009272
    H     17.87429532     17.97426917     14.20843561      0.90039342
    O     20.17049168     20.29997222     16.48303181      6.55778065
    C      7.21789894      7.32872793     13.76811510      4.06929519
    H      7.87111508      7.98875383     14.33323239      0.89769852
    O     20.15969946     16.43030008     20.34796836      6.55793442
    C      7.22813357     13.75757457      7.33925673      4.06937261
    H      7.87952768     14.32398666      7.99992272      0.89764504
    O     18.54620318     16.42255223     18.74835028      6.56143953
    C     18.53168653     13.60923385     18.68580466      4.07007674
    H     17.86404003     14.15238871     18.02157817      0.90058841
    O     18.58248391     22.58007926     20.34977661      6.55762180
    C     18.64440722     12.20501510      7.24574987      4.06970938
    H     17.98226482     11.64130178      7.89816505      0.89784800
    O     20.17857757     22.58727986     18.73299927      6.55688658
    C      7.17054954     12.38122762     18.76804499      4.06961668
    H      7.84279554     11.83528986     18.11083168      0.89851695
    O     16.31688026     18.71623105     18.76786652      6.59846187
    C     13.39302452     18.69979341     18.75518616      3.62637759
    N     13.93297383     17.78640571     17.88461199      5.42632592
    O     16.30543447     20.32916452     20.36436164      6.55394114
    C     13.71579160      7.27138396      7.29064083      4.03499835
    H     14.31817606      7.92228325      7.92066907      0.89482232
    O     22.43481543     18.68400719     20.35054238      6.55785537
    C     12.21766146     18.70296401      7.30857671      4.06970661
    H     11.65753783     18.05312164      7.97614044      0.89807779
    O     22.44270862     20.29024449     18.74256589      6.55783346
    C     12.19518530      7.27778392     18.73165498      4.06963654
    H     11.64420928      7.94504808     18.07378108      0.89815403
    C      6.43970786      6.46191673      2.81958399      3.28912911
    C      6.45417943      6.45701935      1.32233637      4.06772324
    C      6.41603667      6.46759765     10.15622691      3.28838188
    C      6.39392967      6.46947961     11.65494330      4.06765341
    C      2.77166506      6.48826057      6.49324709      3.28841804
    C      1.27433984      6.51033760      6.50815115      4.06815763
    C     10.09100128      6.46974516      6.49508731      3.31972715
    C     11.59647366      6.45855179      6.49263945      3.88247365
    C      6.43245575      2.79854848      6.48711723      3.28927487
    C      6.44299363      1.30127109      6.48420555      4.06763101
    C      6.42297722     10.14376188      6.48478391      3.28846891
    C      6.40465446     11.64269564      6.48345916      4.06759005
    C     19.36175522     19.49482535     23.22349783      3.28861286
    C     19.34525642     19.49496433     24.72055531      4.06884298
    C     19.37431081     19.49459524     15.88349930      3.28740466
    C     19.39388245     19.48983584     14.38583277      4.06928252
    C     19.35920413     15.83103552     19.54655481      3.28744240
    C     19.37628813     14.33320537     19.54447587      4.06921731
    C     19.37455452     23.17853327     19.53892995      3.28866996
    C     19.36029968     24.67558035     19.53648203      4.06880970
    C     15.70369135     19.52709627     19.56563552      3.28016333
    C     14.21389034     19.54469188     19.57354552      4.19911531
    C     23.03247256     19.47563624     19.53804435      3.28810002
    C     24.52922142     19.44888370     19.51978857      4.06897931
    H     13.31011469     17.21144103     17.33381166      0.75841306
    H     14.94079638     17.69550829     17.80279772      0.73757531
  107
Geometry Step: 54
   Zn      7.58865543      5.31711831      5.34296847     11.21149516
   Zn      5.28930291      7.62158826      5.32559774     11.20798602
   Zn      5.28146559      5.31102416      7.63257471     11.20791761
   Zn      7.58356655      7.63045269      7.64674553     11.20719091
   Zn     18.22206499     20.66346000     20.70381327     11.20744187
   Zn     20.51764144     18.34881375     20.71657414     11.20744600
   Zn     18.24473853     18.35535716     18.40406679     11.20869125
   Zn     20.52757601     20.66637862     18.40238329     11.20743558
    O      6.43191328      6.47577807      6.49230185      6.72596128
    O     19.38121137     19.50897683     19.55608805      6.72166995
    O      7.22786873      5.65079813      3.42216099      6.55626308
    C      7.16659234     18.76898601     13.76889692      4.06939452
    H      7.82465023     18.11387620     14.33448103      0.89715464
    O      5.63884321      7.27467589      3.40568996      6.55771457
    C     18.61616148      7.18779812     13.66543732      4.06971939
    H     17.94661886      7.84837952     14.21090983      0.89812101
    O      5.62637311      5.65583317      9.55517491      6.55827581
    C     18.57022454     18.63024979     12.27233850      4.06966164
    H     17.91632920     17.97020709     11.70786379      0.89792401
    O      7.21917314      7.27686469      9.56963218      6.55796150
    C      7.24151588      7.32637828     12.37725758      4.06915809
    H      7.91306367      7.98488336     11.83216433      0.89758120
    O      3.36810013      7.28286331      5.68299048      6.55828229
    C     13.58603902      7.25563919     18.71831090      4.06970862
    H     14.14596967      7.90547854     18.05062290      0.89786751
    O      3.36193699      5.67588989      7.28978437      6.55789732
    C     13.60857803     18.68034086      7.29552483      4.06958250
    H     14.15944291     18.01291367      7.95334217      0.89796705
    O      9.48992856      5.67073747      5.69907821      6.52000248
    N     12.03294753     18.75253282     18.79542548      5.35989995
    O      9.50329527      7.28496571      7.29770749      6.55825782
    C     12.32719138      7.32332105      7.33030472      4.16077949
    H     11.80328286      8.00740830      7.99029456      0.89329543
    O      5.62021633      3.38854733      7.28568057      6.55780996
    C     18.63164036     13.59610574      7.25131455      4.06964211
    H     17.95922302     14.14261447      7.90806205      0.89815564
    O      7.23528720      3.39753932      5.68799294      6.55581448
    C      7.15794829     13.77201798     18.77427301      4.06945371
    H      7.82057391     14.33634625     18.12278755      0.89709241
    O      5.63856905      9.54382258      5.66674078      6.55818860
    C     18.55395992     12.21800686     18.68749020      4.06975485
    H     17.90340968     11.65230192     18.02512842      0.89784931
    O      7.21773152      9.55526185      7.30082018      6.55794961
    C      7.24936265     12.36633680      7.34184222      4.06908013
    H      7.91756539     11.82329676      8.00528731      0.89773308
    O     18.57763827     20.31165014     22.62218478      6.55765130
    C     18.63245170      7.18281336     12.27448056      4.06963288
    H     17.97526739      7.83945192     11.70969800      0.89787832
    O     20.16031776     18.68131608     22.63503199      6.55694475
    C      7.18274307     18.76374850     12.37782816      4.06968045
    H      7.85355947     18.10371911     11.83327595      0.89852127
    O     18.56350002     18.69394998     16.47435141      6.56132021
    C     18.54629378     18.63295133     13.66344452      4.07008372
    H     17.87458727     17.97423013     14.20842552      0.90039770
    O     20.17125701     20.29970192     16.48329020      6.55776249
    C      7.21770160      7.32891463     13.76820370      4.06931126
    H      7.87111724      7.98872951     14.33326307      0.89769006
    O     20.16026939     16.43040614     20.34810992      6.55792254
    C      7.22808085     13.75735899      7.33953249      4.06936820
    H      7.87957248     14.32360135      8.00028144      0.89763114
    O     18.54710130     16.42271541     18.74819192      6.56139463
    C     18.53198119     13.60915138     18.68598595      4.07007264
    H     17.86419964     14.15229436     18.02193712      0.90060050
    O     18.58224401     22.57979240     20.34963377      6.55756341
    C     18.64456566     12.20511495      7.24602876      4.06969148
    H     17.98236377     11.64167798      7.89871404      0.89787448
    O     20.17950017     22.58725640     18.73370353      6.55684491
    C      7.17036045     12.38095607     18.76831925      4.06964136
    H      7.84294255     11.83511964     18.11117678      0.89851726
    O     16.31658145     18.71570896     18.76703634      6.59843067
    C     13.39251419     18.69961838     18.75500390      3.62633934
    N     13.93216129     17.78564367     17.88482616      5.42629185
    O     16.30522247     20.32845535     20.36370790      6.55400485
    C     13.71598341      7.27165586      7.29014372      4.03498498
    H     14.31850864      7.92231992      7.92022698      0.89484338
    O     22.43526273     18.68479289     20.35130816      6.55785399
    C     12.21781624     18.70284512      7.30888119      4.06969364
    H     11.65784602     18.05313020      7.97660351      0.89806926
    O     22.44298697     20.29038800     18.74288566      6.55784798
    C     12.19533020      7.27809945     18.73165036      4.06965276
    H     11.64420210      7.94540402     18.07405843      0.89813995
    C      6.43933444      6.46158295      2.81995906      3.28912924
    C      6.45402115      6.45669514      1.32264264      4.06773690
    C      6.41584646      6.46779894     10.15608099      3.28840719
    C      6.39389549      6.46971538     11.65484578      4.06766521
    C      2.77142808      6.48796631      6.49280059      3.28843281
    C      1.27408228      6.51010465      6.50779620      4.06816841
    C     10.09064061      6.47020892      6.49455224      3.31979390
    C     11.59630756      6.45923303      6.49257382      3.88249503
    C      6.43196873      2.79884320      6.48662523      3.28927556
    C      6.44293874      1.30153367      6.48408763      4.06763119
    C      6.42288403     10.14344932      6.48466070      3.28849919
    C      6.40457900     11.64238960      6.48360566      4.06759225
    C     19.36220962     19.49538986     23.22316323      3.28862318
    C     19.34534135     19.49548179     24.72029139      4.06886204
    C     19.37458688     19.49481617     15.88369690      3.28741875
    C     19.39404956     19.48977128     14.38596345      4.06929026
    C     19.35980629     15.83114567     19.54663094      3.28745776
    C     19.37663771     14.33323124     19.54459521      4.06921769
    C     19.37494154     23.17818572     19.53936187      3.28868720
    C     19.36020225     24.67522556     19.53686235      4.06881622
    C     15.70343773     19.52670017     19.56470319      3.28015013
    C     14.21360622     19.54470421     19.57277621      4.19908516
    C     23.03295525     19.47622082     19.53864500      3.28810980
    C     24.52974489     19.44923785     19.52017067      4.06898234
    H     13.30935485     17.21157083     17.33317994      0.75845960
    H     14.93984738     17.69456232     17.80211035      0.73763387
  107
Geometry Step: 55
   Zn      7.58892288      5.31711732      5.34299691     11.21155058
   Zn      5.28899842      7.62167212      5.32580641     11.20802954
   Zn      5.28141089      5.31150594      7.63252335     11.20795725
   Zn      7.58364599      7.63045049      7.64680716     11.20723385
   Zn     18.22192770     20.66333431     20.70379633     11.20744768
   Zn     20.51811952     18.34890035     20.71657851     11.20746658
   Zn     18.24464866     18.35515755     18.40400949     11.20868592
   Zn     20.52782070     20.66629687     18.40252583     11.20746364
    O      6.43184306      6.47580637      6.49225884      6.72600026
    O     19.38119112     19.50885912     19.55597624      6.72174987
    O      7.22853614      5.65127426      3.42224841      6.55620514
    C      7.16624632     18.76883194     13.76874051      4.06939104
    H      7.82412226     18.11355294     14.33426757      0.89717378
    O      5.63808197      7.27401158      3.40592743      6.55769978
    C     18.61645460      7.18782270     13.66562855      4.06973195
    H     17.94658825      7.84799071     14.21105926      0.89813195
    O      5.62586071      5.65632048      9.55493618      6.55819117
    C     18.57066347     18.63024144     12.27235244      4.06967528
    H     17.91655414     17.97036808     11.70794173      0.89793177
    O      7.21918674      7.27683458      9.56959277      6.55793463
    C      7.24146748      7.32644018     12.37730546      4.06914130
    H      7.91294011      7.98495442     11.83220632      0.89759059
    O      3.36782893      7.28258193      5.68248559      6.55824156
    C     13.58616867      7.25576335     18.71804977      4.06970206
    H     14.14604923      7.90534603     18.05015470      0.89786792
    O      3.36181799      5.67607147      7.28978748      6.55787214
    C     13.60867810     18.68013220      7.29543561      4.06960059
    H     14.15983044     18.01263448      7.95286300      0.89796289
    O      9.48991310      5.67043826      5.69908976      6.51990134
    N     12.03248048     18.75283410     18.79527282      5.35990538
    O      9.50330361      7.28459079      7.29792178      6.55821409
    C     12.32742652      7.32343921      7.33049328      4.16078657
    H     11.80325855      8.00659650      7.99156793      0.89331998
    O      5.61965172      3.38879396      7.28527511      6.55781603
    C     18.63179016     13.59630802      7.25132192      4.06965492
    H     17.95918591     14.14268567      7.90794969      0.89816140
    O      7.23493892      3.39760517      5.68750137      6.55576889
    C      7.15764219     13.77174037     18.77432350      4.06944600
    H      7.82022152     14.33596229     18.12274637      0.89710969
    O      5.63807051      9.54363958      5.66688123      6.55809514
    C     18.55417476     12.21799706     18.68771591      4.06975178
    H     17.90341402     11.65243287     18.02535486      0.89784525
    O      7.21793674      9.55491465      7.30026907      6.55790594
    C      7.24914281     12.36611437      7.34206624      4.06907195
    H      7.91736999     11.82302293      8.00544084      0.89774193
    O     18.57710300     20.31143004     22.62205800      6.55756977
    C     18.63266596      7.18312298     12.27462946      4.06963450
    H     17.97554914      7.83986834     11.70993213      0.89790074
    O     20.16125832     18.68226164     22.63500115      6.55691474
    C      7.18237560     18.76387152     12.37762557      4.06969706
    H      7.85348697     18.10420482     11.83307296      0.89852196
    O     18.56317453     18.69472762     16.47445147      6.56129305
    C     18.54653000     18.63302514     13.66349010      4.07006860
    H     17.87488090     17.97426584     14.20845148      0.90040200
    O     20.17201744     20.29940530     16.48360097      6.55771209
    C      7.21746398      7.32907515     13.76828590      4.06932977
    H      7.87106196      7.98871468     14.33336200      0.89769268
    O     20.16086892     16.43057650     20.34818105      6.55787852
    C      7.22795819     13.75718614      7.33973867      4.06936329
    H      7.87953909     14.32332866      8.00058972      0.89763129
    O     18.54797129     16.42282426     18.74799702      6.56134100
    C     18.53229735     13.60918103     18.68618557      4.07006355
    H     17.86435797     14.15234828     18.02232181      0.90060353
    O     18.58194864     22.57952022     20.34944193      6.55750144
    C     18.64480846     12.20527833      7.24631954      4.06968871
    H     17.98260636     11.64198827      7.89913464      0.89789650
    O     20.18039194     22.58726999     18.73437100      6.55681458
    C      7.17021242     12.38064265     18.76863183      4.06966278
    H      7.84300395     11.83487716     18.11161753      0.89850645
    O     16.31616167     18.71512038     18.76623452      6.59840743
    C     13.39203187     18.69962335     18.75483368      3.62634263
    N     13.93133904     17.78477985     17.88523688      5.42629524
    O     16.30517370     20.32771301     20.36292628      6.55411670
    C     13.71628456      7.27202519      7.28952455      4.03496506
    H     14.31864231      7.92223794      7.91987424      0.89482910
    O     22.43577039     18.68544172     20.35206605      6.55783490
    C     12.21789907     18.70276579      7.30913767      4.06968334
    H     11.65806168     18.05319011      7.97707320      0.89806690
    O     22.44336725     20.29053994     18.74308944      6.55783529
    C     12.19544426      7.27839471     18.73168905      4.06966624
    H     11.64412142      7.94577356     18.07436341      0.89813109
    C      6.43895467      6.46120806      2.82029102      3.28914446
    C      6.45383846      6.45641229      1.32281147      4.06776908
    C      6.41558724      6.46796984     10.15591389      3.28842435
    C      6.39382228      6.46993298     11.65472173      4.06768298
    C      2.77126737      6.48767982      6.49236939      3.28846248
    C      1.27379795      6.50977674      6.50735711      4.06820522
    C     10.09052494      6.47051505      6.49404468      3.31980610
    C     11.59625824      6.45994660      6.49228362      3.88253115
    C      6.43150344      2.79917850      6.48622753      3.28929064
    C      6.44283929      1.30171964      6.48394568      4.06765673
    C      6.42273241     10.14315256      6.48453083      3.28851942
    C      6.40447539     11.64210468      6.48371833      4.06760335
    C     19.36259205     19.49596534     23.22291277      3.28864375
    C     19.34543882     19.49595058     24.72014993      4.06889483
    C     19.37490118     19.49499523     15.88394833      3.28742171
    C     19.39425802     19.48976474     14.38616383      4.06930163
    C     19.36038507     15.83130468     19.54672611      3.28746638
    C     19.37695685     14.33333692     19.54478317      4.06922391
    C     19.37526282     23.17786019     19.53974057      3.28870935
    C     19.36018679     24.67497706     19.53725391      4.06884266
    C     15.70317695     19.52614838     19.56393465      3.28009842
    C     14.21346671     19.54485987     19.57208486      4.19901392
    C     23.03336891     19.47677532     19.53922787      3.28812926
    C     24.53026251     19.44968894     19.52063851      4.06900658
    H     13.30820680     17.21177753     17.33274811      0.75849768
    H     14.93898179     17.69362032     17.80123416      0.73766449
  107
Geometry Step: 56
   Zn      7.58908144      5.31722992      5.34300785     11.21155201
   Zn      5.28872360      7.62170074      5.32596270     11.20807054
   Zn      5.28130409      5.31190478      7.63248337     11.20799640
   Zn      7.58378714      7.63054514      7.64691875     11.20722668
   Zn     18.22187059     20.66314747     20.70383763     11.20742140
   Zn     20.51857511     18.34895806     20.71661481     11.20748513
   Zn     18.24443225     18.35493782     18.40395347     11.20867376
   Zn     20.52812684     20.66622165     18.40261870     11.20748290
    O      6.43175553      6.47589393      6.49230078      6.72604019
    O     19.38120534     19.50870680     19.55583435      6.72184288
    O      7.22904102      5.65166909      3.42238126      6.55614292
    C      7.16584348     18.76870005     13.76854599      4.06939388
    H      7.82356826     18.11336794     14.33407890      0.89719757
    O      5.63741704      7.27338422      3.40603579      6.55770178
    C     18.61674441      7.18783425     13.66578818      4.06973079
    H     17.94661273      7.84755268     14.21118347      0.89812257
    O      5.62537450      5.65665384      9.55479182      6.55811314
    C     18.57109557     18.63032956     12.27240107      4.06968528
    H     17.91688310     17.97055718     11.70790845      0.89794438
    O      7.21912207      7.27676451      9.56950523      6.55791915
    C      7.24134302      7.32650014     12.37732652      4.06913036
    H      7.91285819      7.98497223     11.83227336      0.89760127
    O      3.36754113      7.28236103      5.68200955      6.55819243
    C     13.58629746      7.25582735     18.71788889      4.06969499
    H     14.14614943      7.90518988     18.04975465      0.89787959
    O      3.36159033      5.67615569      7.28982647      6.55783471
    C     13.60876332     18.67999543      7.29528166      4.06961018
    H     14.16021324     18.01241896      7.95240623      0.89796735
    O      9.48985045      5.67029312      5.69926107      6.51988822
    N     12.03197191     18.75293156     18.79508586      5.35986513
    O      9.50339951      7.28423420      7.29808202      6.55824122
    C     12.32773759      7.32337738      7.33065270      4.16079146
    H     11.80332810      8.00594522      7.99242811      0.89333891
    O      5.61913145      3.38899254      7.28494583      6.55782194
    C     18.63194047     13.59650094      7.25126600      4.06966383
    H     17.95925294     14.14278292      7.90771751      0.89815700
    O      7.23457728      3.39777340      5.68715392      6.55574342
    C      7.15727928     13.77146069     18.77437450      4.06944271
    H      7.81979945     14.33564929     18.12278735      0.89713059
    O      5.63758531      9.54348245      5.66698494      6.55800796
    C     18.55445983     12.21804977     18.68798330      4.06974928
    H     17.90354815     11.65250434     18.02564523      0.89785454
    O      7.21801696      9.55464928      7.29982999      6.55787530
    C      7.24891697     12.36591853      7.34222506      4.06906257
    H      7.91719162     11.82275639      8.00552540      0.89774616
    O     18.57665673     20.31123418     22.62194111      6.55749997
    C     18.63298947      7.18341918     12.27478488      4.06964652
    H     17.97591326      7.84009547     11.71006227      0.89792274
    O     20.16205151     18.68313557     22.63508528      6.55691703
    C      7.18204803     18.76402071     12.37742033      4.06970343
    H      7.85333952     18.10472680     11.83282946      0.89850161
    O     18.56292692     18.69539071     16.47457044      6.56127537
    C     18.54682848     18.63313115     13.66358859      4.07005422
    H     17.87513847     17.97435491     14.20843852      0.90040413
    O     20.17269839     20.29916942     16.48388091      6.55765649
    C      7.21721932      7.32916372     13.76836644      4.06934021
    H      7.87094435      7.98868853     14.33354378      0.89770532
    O     20.16143677     16.43077363     20.34824704      6.55782165
    C      7.22776723     13.75706241      7.33985591      4.06935806
    H      7.87941220     14.32318628      8.00079230      0.89764548
    O     18.54875486     16.42292126     18.74782923      6.56129844
    C     18.53261677     13.60929200     18.68639659      4.07004925
    H     17.86450077     14.15245091     18.02268193      0.90060031
    O     18.58170064     22.57927584     20.34924608      6.55747346
    C     18.64514937     12.20546251      7.24655393      4.06969331
    H     17.98298599     11.64218814      7.89935983      0.89791471
    O     20.18115801     22.58728835     18.73498520      6.55680757
    C      7.17008549     12.38035155     18.76896596      4.06968028
    H      7.84295645     11.83461117     18.11212767      0.89848878
    O     16.31567779     18.71454031     18.76548081      6.59839131
    C     13.39153752     18.69962504     18.75470264      3.62636784
    N     13.93058499     17.78411644     17.88549555      5.42633402
    O     16.30519555     20.32704053     20.36208990      6.55423408
    C     13.71658709      7.27229456      7.28894405      4.03495019
    H     14.31871044      7.92205749      7.91951823      0.89479310
    O     22.43630060     18.68595831     20.35277241      6.55781023
    C     12.21793652     18.70274924      7.30929616      4.06967426
    H     11.65820634     18.05328282      7.97747956      0.89807328
    O     22.44383610     20.29073073     18.74323725      6.55780777
    C     12.19552601      7.27862267     18.73179342      4.06967163
    H     11.64400124      7.94609091     18.07465024      0.89813059
    C      6.43866000      6.46086616      2.82048303      3.28916418
    C      6.45364534      6.45621359      1.32283315      4.06779759
    C      6.41529160      6.46809757     10.15576971      3.28843483
    C      6.39369416      6.47008486     11.65460676      4.06769996
    C      2.77112423      6.48742849      6.49199305      3.28849738
    C      1.27350536      6.50942008      6.50690566      4.06824649
    C     10.09065187      6.47070396      6.49374099      3.31977343
    C     11.59630015      6.46044587      6.49201135      3.88257122
    C      6.43112217      2.79944719      6.48595426      3.28930568
    C      6.44268134      1.30180243      6.48380499      4.06768724
    C      6.42254285     10.14290888      6.48439144      3.28853246
    C      6.40433864     11.64187062      6.48378947      4.06761689
    C     19.36286689     19.49647279     23.22282044      3.28865942
    C     19.34555981     19.49631482     24.72013917      4.06892197
    C     19.37521157     19.49514804     15.88420018      3.28741817
    C     19.39451101     19.48983581     14.38639269      4.06930738
    C     19.36090874     15.83148407     19.54685312      3.28747029
    C     19.37725339     14.33349605     19.54501237      4.06922966
    C     19.37549324     23.17764389     19.54002414      3.28872017
    C     19.36027690     24.67485625     19.53761685      4.06886820
    C     15.70289140     19.52551987     19.56334228      3.28003864
    C     14.21334529     19.54499257     19.57149431      4.19894063
    C     23.03375010     19.47725230     19.53974545      3.28815248
    C     24.53075261     19.45016571     19.52111581      4.06903247
    H     13.30698483     17.21199067     17.33239236      0.75851880
    H     14.93829498     17.69285348     17.80044430      0.73766326
  107
Geometry Step: 57
   Zn      7.58911500      5.31741446      5.34297604     11.21150638
   Zn      5.28846361      7.62165640      5.32611782     11.20810345
   Zn      5.28109535      5.31223550      7.63248082     11.20802312
   Zn      7.58393006      7.63064579      7.64698183     11.20720310
   Zn     18.22169971     20.66292291     20.70391217     11.20735531
   Zn     20.51903336     18.34903015     20.71664705     11.20749625
   Zn     18.24417717     18.35478341     18.40395035     11.20866453
   Zn     20.52851300     20.66613509     18.40269031     11.20748364
    O      6.43161993      6.47596014      6.49239993      6.72607008
    O     19.38124098     19.50859558     19.55574233      6.72194260
    O      7.22948241      5.65205086      3.42255092      6.55607752
    C      7.16538100     18.76857012     13.76832592      4.06940718
    H      7.82298225     18.11326649     14.33388630      0.89721587
    O      5.63679475      7.27266668      3.40610536      6.55772869
    C     18.61702128      7.18785685     13.66592246      4.06971476
    H     17.94665147      7.84710688     14.21131461      0.89810243
    O      5.62489669      5.65686885      9.55475467      6.55805466
    C     18.57149825     18.63047770     12.27248688      4.06970131
    H     17.91729198     17.97077656     11.70777924      0.89795092
    O      7.21895179      7.27668418      9.56932064      6.55791305
    C      7.24114587      7.32659277     12.37732524      4.06911513
    H      7.91281998      7.98499081     11.83237841      0.89762008
    O      3.36723867      7.28211378      5.68152437      6.55813912
    C     13.58642840      7.25589084     18.71776150      4.06968893
    H     14.14626328      7.90506861     18.04936552      0.89789794
    O      3.36125308      5.67614658      7.28983787      6.55780209
    C     13.60886632     18.67988569      7.29509277      4.06961441
    H     14.16063176     18.01224383      7.95198378      0.89797502
    O      9.48969979      5.67057901      5.69946337      6.51995258
    N     12.03135371     18.75263902     18.79507897      5.35979771
    O      9.50354160      7.28421613      7.29813289      6.55829327
    C     12.32803614      7.32313603      7.33086640      4.16081552
    H     11.80358679      8.00555112      7.99288036      0.89333512
    O      5.61868902      3.38920247      7.28460433      6.55783868
    C     18.63207574     13.59665990      7.25119505      4.06965859
    H     17.95935183     14.14288485      7.90743481      0.89815277
    O      7.23414409      3.39800457      5.68682862      6.55574590
    C      7.15686197     13.77117636     18.77441897      4.06944976
    H      7.81932237     14.33536376     18.12287377      0.89714687
    O      5.63706322      9.54334054      5.66707775      6.55794259
    C     18.55480449     12.21815592     18.68827198      4.06975814
    H     17.90378139     11.65250536     18.02604792      0.89786651
    O      7.21804839      9.55439071      7.29939481      6.55784170
    C      7.24870376     12.36570165      7.34236810      4.06904646
    H      7.91702224     11.82246577      8.00562067      0.89774834
    O     18.57632969     20.31108255     22.62178462      6.55746313
    C     18.63340168      7.18372975     12.27494765      4.06967186
    H     17.97631735      7.84019561     11.71014875      0.89793863
    O     20.16278213     18.68404695     22.63521694      6.55694567
    C      7.18174847     18.76417884     12.37722357      4.06969636
    H      7.85313398     18.10523910     11.83254917      0.89846984
    O     18.56272441     18.69605453     16.47475515      6.56125625
    C     18.54720499     18.63323297     13.66372057      4.07003240
    H     17.87536304     17.97444260     14.20834906      0.90041325
    O     20.17335434     20.29900263     16.48410506      6.55761165
    C      7.21700874      7.32921266     13.76842312      4.06935127
    H      7.87079235      7.98864689     14.33378494      0.89771610
    O     20.16200806     16.43096766     20.34837618      6.55776567
    C      7.22755059     13.75691180      7.33995687      4.06935705
    H      7.87922764     14.32307333      8.00093771      0.89766452
    O     18.54956415     16.42305544     18.74769652      6.56127316
    C     18.53295754     13.60945044     18.68661982      4.07002802
    H     17.86462949     14.15252792     18.02301174      0.90059958
    O     18.58151145     22.57902487     20.34907386      6.55748646
    C     18.64555034     12.20563920      7.24678836      4.06970949
    H     17.98344759     11.64229824      7.89949032      0.89792299
    O     20.18184192     22.58726299     18.73565448      6.55682506
    C      7.16996512     12.38008169     18.76932317      4.06968707
    H      7.84284143     11.83430386     18.11270885      0.89847158
    O     16.31514387     18.71399563     18.76463148      6.59836748
    C     13.39094951     18.69940948     18.75457743      3.62640203
    N     13.92989880     17.78374460     17.88536758      5.42638518
    O     16.30515445     20.32643204     20.36116164      6.55433273
    C     13.71684067      7.27237288      7.28844247      4.03494210
    H     14.31883141      7.92183639      7.91905900      0.89475993
    O     22.43687343     18.68646293     20.35349069      6.55778261
    C     12.21798095     18.70275063      7.30941679      4.06966459
    H     11.65835955     18.05335476      7.97787175      0.89808557
    O     22.44439926     20.29098387     18.74342431      6.55778193
    C     12.19559758      7.27883939     18.73193035      4.06967094
    H     11.64387127      7.94638818     18.07489396      0.89813497
    C      6.43847188      6.46056370      2.82057100      3.28917820
    C      6.45342705      6.45608327      1.32279096      4.06781831
    C      6.41495742      6.46822340     10.15564021      3.28843838
    C      6.39352748      6.47022311     11.65450229      4.06771522
    C      2.77094727      6.48719813      6.49163959      3.28852915
    C      1.27320642      6.50907535      6.50645563      4.06828332
    C     10.09089621      6.47092464      6.49369184      3.31971915
    C     11.59637210      6.46059885      6.49194223      3.88258178
    C      6.43079906      2.79964238      6.48573066      3.28930942
    C      6.44244017      1.30181902      6.48367798      4.06771750
    C      6.42233034     10.14267783      6.48423844      3.28854042
    C      6.40418256     11.64165037      6.48386987      4.06762953
    C     19.36307731     19.49694949     23.22282993      3.28865697
    C     19.34572495     19.49662249     24.72017839      4.06894410
    C     19.37551666     19.49530902     15.88445057      3.28741160
    C     19.39480478     19.48994324     14.38663161      4.06931037
    C     19.36145003     15.83167798     19.54701360      3.28746875
    C     19.37757935     14.33367684     19.54525111      4.06923934
    C     19.37566006     23.17750410     19.54027333      3.28870991
    C     19.36046483     24.67479423     19.53797987      4.06889065
    C     15.70253706     19.52484059     19.56275885      3.27999867
    C     14.21310618     19.54495266     19.57091553      4.19890127
    C     23.03417234     19.47769506     19.54025090      3.28817261
    C     24.53125390     19.45064744     19.52159148      4.06905329
    H     13.30589607     17.21217975     17.33188747      0.75852443
    H     14.93773078     17.69226888     17.79991610      0.73763240
  107
Geometry Step: 58
   Zn      7.58902798      5.31768909      5.34291603     11.21142935
   Zn      5.28823262      7.62151294      5.32633439     11.20813442
   Zn      5.28077222      5.31254294      7.63252913     11.20803772
   Zn      7.58408633      7.63074543      7.64697695     11.20718641
   Zn     18.22133247     20.66260320     20.70396863     11.20726095
   Zn     20.51951691     18.34911764     20.71663850     11.20750365
   Zn     18.24383732     18.35467480     18.40399304     11.20866190
   Zn     20.52899416     20.66599754     18.40274114     11.20746298
    O      6.43143615      6.47598580      6.49258846      6.72607891
    O     19.38127134     19.50848711     19.55567846      6.72205047
    O      7.23000922      5.65251193      3.42277750      6.55600372
    C      7.16486666     18.76838416     13.76806613      4.06942152
    H      7.82236059     18.11314736     14.33366720      0.89723208
    O      5.63613240      7.27171745      3.40621929      6.55778218
    C     18.61724841      7.18797461     13.66603872      4.06968982
    H     17.94662448      7.84670240     14.21150867      0.89807474
    O      5.62436675      5.65703451      9.55482226      6.55801686
    C     18.57186920     18.63067147     12.27265512      4.06971604
    H     17.91778829     17.97102353     11.70756746      0.89795400
    O      7.21864783      7.27662185      9.56898911      6.55790833
    C      7.24090837      7.32680378     12.37725226      4.06910044
    H      7.91286150      7.98507649     11.83245924      0.89764495
    O      3.36693809      7.28179306      5.68100503      6.55808258
    C     13.58656979      7.25606140     18.71754359      4.06968508
    H     14.14640008      7.90506743     18.04885635      0.89792016
    O      3.36081001      5.67608436      7.28981259      6.55778676
    C     13.60901429     18.67970869      7.29493065      4.06961959
    H     14.16116226     18.01203101      7.95160989      0.89798153
    O      9.48944009      5.67150169      5.69962669      6.52007007
    N     12.03064187     18.75187257     18.79524802      5.35973128
    O      9.50374916      7.28474842      7.29808143      6.55835017
    C     12.32824441      7.32269192      7.33121347      4.16083487
    H     11.80400027      8.00541317      7.99301315      0.89331257
    O      5.61833597      3.38948232      7.28419546      6.55787234
    C     18.63212370     13.59678029      7.25120201      4.06964703
    H     17.95937864     14.14303637      7.90717416      0.89814831
    O      7.23357389      3.39830393      5.68641188      6.55578387
    C      7.15641235     13.77086000     18.77439931      4.06945586
    H      7.81883073     14.33504436     18.12290019      0.89716360
    O      5.63641105      9.54318778      5.66724262      6.55789982
    C     18.55521146     12.21836225     18.68856989      4.06977445
    H     17.90408936     11.65245371     18.02660312      0.89787990
    O      7.21810885      9.55407977      7.29887106      6.55778957
    C      7.24854309     12.36535866      7.34258568      4.06902527
    H      7.91687400     11.82200118      8.00581162      0.89774486
    O     18.57604965     20.31097173     22.62153375      6.55745573
    C     18.63386951      7.18415092     12.27511862      4.06970197
    H     17.97670979      7.84027582     11.71018586      0.89795307
    O     20.16354564     18.68514544     22.63533908      6.55700206
    C      7.18149231     18.76429980     12.37701737      4.06968377
    H      7.85289379     18.10571114     11.83214612      0.89842705
    O     18.56249750     18.69682324     16.47503185      6.56122758
    C     18.54766876     18.63328125     13.66391925      4.07000513
    H     17.87556027     17.97447879     14.20821065      0.90042621
    O     20.17407037     20.29884950     16.48428632      6.55757835
    C      7.21688079      7.32927503     13.76839784      4.06935491
    H      7.87065604      7.98862277     14.33405092      0.89772767
    O     20.16265531     16.43114532     20.34859000      6.55770546
    C      7.22735979     13.75661787      7.34014455      4.06935413
    H      7.87904340     14.32287151      8.00112049      0.89768846
    O     18.55054968     16.42323713     18.74754361      6.56126887
    C     18.53333564     13.60968699     18.68684591      4.06999844
    H     17.86474623     14.15261925     18.02331715      0.90059993
    O     18.58129777     22.57871476     20.34893121      6.55753681
    C     18.64595645     12.20579328      7.24714993      4.06972660
    H     17.98391862     11.64231126      7.89969227      0.89792584
    O     20.18248398     22.58713637     18.73651296      6.55687551
    C      7.16989714     12.37979924     18.76968605      4.06969284
    H      7.84272538     11.83383748     18.11337914      0.89845176
    O     16.31451226     18.71349368     18.76348657      6.59830621
    C     13.39024760     18.69883668     18.75441399      3.62643254
    N     13.92927933     17.78358460     17.88477487      5.42646950
    O     16.30499442     20.32584574     20.36002126      6.55440759
    C     13.71696551      7.27228337      7.28803378      4.03493446
    H     14.31897900      7.92164722      7.91850638      0.89474142
    O     22.43751471     18.68702896     20.35428166      6.55775797
    C     12.21806293     18.70268436      7.30962105      4.06965492
    H     11.65856566     18.05332472      7.97837672      0.89810081
    O     22.44507264     20.29128839     18.74369484      6.55776729
    C     12.19566942      7.27916525     18.73203117      4.06966792
    H     11.64371216      7.94676962     18.07505229      0.89814029
    C      6.43840145      6.46027876      2.82061915      3.28918322
    C      6.45316974      6.45596901      1.32278021      4.06782861
    C      6.41455277      6.46841164     10.15549330      3.28843712
    C      6.39331592      6.47042172     11.65437106      4.06773530
    C      2.77072242      6.48697973      6.49127605      3.28855114
    C      1.27292157      6.50873770      6.50596436      4.06831232
    C     10.09117691      6.47131000      6.49390956      3.31965437
    C     11.59641886      6.46040811      6.49217595      3.88257286
    C      6.43049223      2.79979631      6.48548259      3.28929473
    C      6.44208589      1.30182777      6.48351362      4.06774639
    C      6.42208985     10.14240876      6.48408839      3.28854937
    C      6.40401609     11.64138530      6.48402302      4.06764515
    C     19.36323897     19.49747176     23.22286414      3.28863384
    C     19.34594017     19.49697881     24.72016521      4.06895928
    C     19.37582864     19.49548165     15.88472607      3.28740205
    C     19.39517229     19.49006689     14.38690706      4.06931352
    C     19.36210847     15.83188828     19.54719268      3.28746368
    C     19.37800033     14.33387604     19.54549815      4.06925731
    C     19.37575735     23.17737454     19.54057419      3.28867393
    C     19.36074403     24.67469872     19.53845569      4.06890600
    C     15.70208208     19.52409332     19.56200229      3.27999257
    C     14.21268046     19.54465214     19.57025851      4.19890291
    C     23.03468008     19.47814456     19.54080418      3.28818184
    C     24.53178244     19.45117230     19.52211506      4.06906347
    H     13.30500597     17.21237439     17.33107563      0.75850727
    H     14.93727372     17.69181077     17.79971675      0.73757171
  107
Geometry Step: 59
   Zn      7.58888071      5.31806820      5.34290531     11.21135261
   Zn      5.28805325      7.62123187      5.32659624     11.20815960
   Zn      5.28036991      5.31283480      7.63256341     11.20803408
   Zn      7.58420014      7.63079198      7.64690501     11.20719295
   Zn     18.22085945     20.66209193     20.70387885     11.20716951
   Zn     20.52001910     18.34926770     20.71657183     11.20750474
   Zn     18.24341013     18.35462092     18.40408554     11.20866561
   Zn     20.52954892     20.66579202     18.40282759     11.20741898
    O      6.43126157      6.47599417      6.49283701      6.72603146
    O     19.38132884     19.50829324     19.55559228      6.72211670
    O      7.23070590      5.65308007      3.42301485      6.55593913
    C      7.16430722     18.76809699     13.76781188      4.06943546
    H      7.82170498     18.11292801     14.33346554      0.89723659
    O      5.63533970      7.27049556      3.40637838      6.55785587
    C     18.61741551      7.18819749     13.66614689      4.06965824
    H     17.94649528      7.84636057     14.21185631      0.89804744
    O      5.62374716      5.65725353      9.55497053      6.55800920
    C     18.57218971     18.63089559     12.27292931      4.06974336
    H     17.91839689     17.97130725     11.70732411      0.89793683
    O      7.21826979      7.27660257      9.56856628      6.55791221
    C      7.24065355      7.32715291     12.37707661      4.06908180
    H      7.91297443      7.98526254     11.83246044      0.89766977
    O      3.36660830      7.28138409      5.68042465      6.55803927
    C     13.58671284      7.25634796     18.71715818      4.06968036
    H     14.14657640      7.90518146     18.04817818      0.89794335
    O      3.36027788      5.67603767      7.28974344      6.55780994
    C     13.60921283     18.67941203      7.29480617      4.06962511
    H     14.16180943     18.01172169      7.95125179      0.89798417
    O      9.48917052      5.67288498      5.69972722      6.52019931
    N     12.02992734     18.75086848     18.79535772      5.35970965
    O      9.50394574      7.28577285      7.29805683      6.55836901
    C     12.32831276      7.32209015      7.33165342      4.16083840
    H     11.80455150      8.00539010      7.99303890      0.89328238
    O      5.61802066      3.38982282      7.28369879      6.55792389
    C     18.63209586     13.59687842      7.25132025      4.06962817
    H     17.95929853     14.14335085      7.90696391      0.89814763
    O      7.23287109      3.39862219      5.68585589      6.55586313
    C      7.15594287     13.77053486     18.77431121      4.06945766
    H      7.81833729     14.33471457     18.12282308      0.89716540
    O      5.63560222      9.54302810      5.66752128      6.55789182
    C     18.55565302     12.21869424     18.68885584      4.06980626
    H     17.90446636     11.65239762     18.02731042      0.89787592
    O      7.21826398      9.55372117      7.29823224      6.55773437
    C      7.24843718     12.36483700      7.34289976      4.06900262
    H      7.91672694     11.82129681      8.00611235      0.89773021
    O     18.57569429     20.31088977     22.62122951      6.55747717
    C     18.63435586      7.18473223     12.27527331      4.06973020
    H     17.97707982      7.84044658     11.71013893      0.89795744
    O     20.16443294     18.68652133     22.63541568      6.55708488
    C      7.18125924     18.76438140     12.37681476      4.06966905
    H      7.85264570     18.10616563     11.83154163      0.89838394
    O     18.56218346     18.69772505     16.47537420      6.56120406
    C     18.54822046     18.63328022     13.66421332      4.06997113
    H     17.87577077     17.97446033     14.20810339      0.90043914
    O     20.17490998     20.29862941     16.48444241      6.55756036
    C      7.21687471      7.32938761     13.76826176      4.06936669
    H      7.87052813      7.98862652     14.33429570      0.89772416
    O     20.16341666     16.43129961     20.34886636      6.55765049
    C      7.22721783     13.75612796      7.34049700      4.06936032
    H      7.87886568     14.32253432      8.00137132      0.89770034
    O     18.55175590     16.42343738     18.74731814      6.56129753
    C     18.53374907     13.61003088     18.68711453      4.06996322
    H     17.86489592     14.15279964     18.02364122      0.90059492
    O     18.58096797     22.57835062     20.34880417      6.55761931
    C     18.64634609     12.20591703      7.24767489      4.06973941
    H     17.98438026     11.64221614      7.90005036      0.89791065
    O     20.18314973     22.58690038     18.73762478      6.55696145
    C      7.16986215     12.37950571     18.77005440      4.06969691
    H      7.84264408     11.83312593     18.11415290      0.89843495
    O     16.31376157     18.71297158     18.76202234      6.59824357
    C     13.38953063     18.69794834     18.75409563      3.62645183
    N     13.92863584     17.78337290     17.88386003      5.42653533
    O     16.30472287     20.32524708     20.35867686      6.55441161
    C     13.71693232      7.27209472      7.28770263      4.03492618
    H     14.31915691      7.92158931      7.91791899      0.89475970
    O     22.43824884     18.68771047     20.35518853      6.55775066
    C     12.21821301     18.70254714      7.30998051      4.06964401
    H     11.65880830     18.05321889      7.97902442      0.89811842
    O     22.44584901     20.29161242     18.74406898      6.55777987
    C     12.19575869      7.27964839     18.73208908      4.06966325
    H     11.64351851      7.94727690     18.07517674      0.89814494
    C      6.43842408      6.45999860      2.82063979      3.28918334
    C      6.45285145      6.45581925      1.32284557      4.06782232
    C      6.41408938      6.46868797     10.15535933      3.28843714
    C      6.39307075      6.47070730     11.65424247      4.06774879
    C      2.77037706      6.48676345      6.49086358      3.28855682
    C      1.27261658      6.50839804      6.50540569      4.06831965
    C     10.09140804      6.47187559      6.49438156      3.31962782
    C     11.59643842      6.45999671      6.49259613      3.88252515
    C      6.43013255      2.79990493      6.48514050      3.28926747
    C      6.44161484      1.30188428      6.48328447      4.06776085
    C      6.42181761     10.14211940      6.48396461      3.28856475
    C      6.40381773     11.64109010      6.48425855      4.06765781
    C     19.36336595     19.49808329     23.22289401      3.28859973
    C     19.34621428     19.49745224     24.72006554      4.06895931
    C     19.37615041     19.49566556     15.88500634      3.28739905
    C     19.39562347     19.49020065     14.38718830      4.06931561
    C     19.36294471     15.83208428     19.54735201      3.28746253
    C     19.37856676     14.33405377     19.54577228      4.06927764
    C     19.37582293     23.17723493     19.54100134      3.28862563
    C     19.36110204     24.67451924     19.53909343      4.06890716
    C     15.70153627     19.52336447     19.56100421      3.28003377
    C     14.21205276     19.54401839     19.56954263      4.19893495
    C     23.03534763     19.47863767     19.54145350      3.28817832
    C     24.53238860     19.45175441     19.52271555      4.06905704
    H     13.30419940     17.21256077     17.32998351      0.75847051
    H     14.93673333     17.69134974     17.79965808      0.73749958
  107
Geometry Step: 60
   Zn      7.58868522      5.31852182      5.34297505     11.21132078
   Zn      5.28790619      7.62084564      5.32683648     11.20817105
   Zn      5.27991761      5.31307413      7.63257534     11.20800792
   Zn      7.58437779      7.63081554      7.64682308     11.20722165
   Zn     18.22042001     20.66141735     20.70361787     11.20711739
   Zn     20.52052870     18.34948730     20.71647714     11.20749730
   Zn     18.24285581     18.35455568     18.40415810     11.20866420
   Zn     20.53014115     20.66553676     18.40296960     11.20735777
    O      6.43114955      6.47605736      6.49315078      6.72595317
    O     19.38139489     19.50794432     19.55543865      6.72213991
    O      7.23154932      5.65371567      3.42315938      6.55589335
    C      7.16377466     18.76769850     13.76759144      4.06943561
    H      7.82113089     18.11254559     14.33325129      0.89722637
    O      5.63444669      7.26914341      3.40655551      6.55792308
    C     18.61749249      7.18851988     13.66624359      4.06963234
    H     17.94623124      7.84615726     14.21230736      0.89803112
    O      5.62305545      5.65755830      9.55516515      6.55803760
    C     18.57244137     18.63113733     12.27329069      4.06976923
    H     17.91906668     17.97158615     11.70714965      0.89790560
    O      7.21786043      7.27663700      9.56815606      6.55792203
    C      7.24046661      7.32761841     12.37684244      4.06906373
    H      7.91313704      7.98554888     11.83234321      0.89768872
    O      3.36627314      7.28092132      5.67988093      6.55801519
    C     13.58684188      7.25673824     18.71656994      4.06967706
    H     14.14672410      7.90540402     18.04736355      0.89795483
    O      3.35973111      5.67608526      7.28964516      6.55787010
    C     13.60943591     18.67897890      7.29475983      4.06964018
    H     14.16245402     18.01130600      7.95092202      0.89797175
    O      9.48899141      5.67436374      5.69972842      6.52027732
    N     12.02934684     18.74991754     18.79523580      5.35974178
    O      9.50422752      7.28707435      7.29816150      6.55832235
    C     12.32826160      7.32152234      7.33204921      4.16085069
    H     11.80506410      8.00531903      7.99307454      0.89324444
    O      5.61773256      3.39014993      7.28320680      6.55797976
    C     18.63200072     13.59698065      7.25156380      4.06961700
    H     17.95906193     14.14379980      7.90686389      0.89814935
    O      7.23212847      3.39891220      5.68523219      6.55596104
    C      7.15550997     13.77021874     18.77414697      4.06943824
    H      7.81793097     14.33434493     18.12258793      0.89715807
    O      5.63469873      9.54288389      5.66791714      6.55792982
    C     18.55607427     12.21914682     18.68910392      4.06983520
    H     17.90486537     11.65242040     18.02805411      0.89785699
    O      7.21849954      9.55339784      7.29755358      6.55769266
    C      7.24840597     12.36420445      7.34329808      4.06898507
    H      7.91659886     11.82039355      8.00648038      0.89770579
    O     18.57518935     20.31080666     22.62096973      6.55751389
    C     18.63478094      7.18546376     12.27538880      4.06974759
    H     17.97733863      7.84079339     11.71004310      0.89794908
    O     20.16539200     18.68804808     22.63541359      6.55716083
    C      7.18106966     18.76441100     12.37662476      4.06966118
    H      7.85244727     18.10654756     11.83079047      0.89835318
    O     18.56180371     18.69866744     16.47568820      6.56118617
    C     18.54876008     18.63323369     13.66454164      4.06993735
    H     17.87600948     17.97439330     14.20810224      0.90044745
    O     20.17583456     20.29830289     16.48458712      6.55757341
    C      7.21699800      7.32955257     13.76801639      4.06937250
    H      7.87043042      7.98868747     14.33443270      0.89770863
    O     20.16424065     16.43141873     20.34914807      6.55762774
    C      7.22714674     13.75546911      7.34100580      4.06936019
    H      7.87872696     14.32204440      8.00171677      0.89769891
    O     18.55308626     16.42357586     18.74701672      6.56135021
    C     18.53414170     13.61043537     18.68740536      4.06993240
    H     17.86508281     14.15311882     18.02398380      0.90058279
    O     18.58046615     22.57796474     20.34866863      6.55770714
    C     18.64667465     12.20602570      7.24834133      4.06973394
    H     17.98475001     11.64208311      7.90060096      0.89788732
    O     20.18379771     22.58658777     18.73887326      6.55705925
    C      7.16986226     12.37920698     18.77038175      4.06970847
    H      7.84266137     11.83223382     18.11493426      0.89842272
    O     16.31292152     18.71240303     18.76040900      6.59816145
    C     13.38891669     18.69692901     18.75361343      3.62646183
    N     13.92797963     17.78293976     17.88292505      5.42656507
    O     16.30444949     20.32461898     20.35724640      6.55437970
    C     13.71681775      7.27188915      7.28748524      4.03490751
    H     14.31930375      7.92169239      7.91748290      0.89481463
    O     22.43899768     18.68845504     20.35608570      6.55775767
    C     12.21842448     18.70234257      7.31053073      4.06963450
    H     11.65910463     18.05305708      7.97977463      0.89812733
    O     22.44662272     20.29185742     18.74450700      6.55781582
    C     12.19586838      7.28028861     18.73207243      4.06966577
    H     11.64335418      7.94789370     18.07528756      0.89813831
    C      6.43848611      6.45974561      2.82065739      3.28917951
    C      6.45249841      6.45558939      1.32298406      4.06780584
    C      6.41361276      6.46902326     10.15525652      3.28843415
    C      6.39283130      6.47108103     11.65413025      4.06777144
    C      2.76990692      6.48656001      6.49042892      3.28854767
    C      1.27225099      6.50806873      6.50478890      4.06830783
    C     10.09150394      6.47248371      6.49499476      3.31965676
    C     11.59645693      6.45948711      6.49305406      3.88245785
    C      6.42969562      2.80000086      6.48470563      3.28923036
    C      6.44110390      1.30202495      6.48294256      4.06776558
    C      6.42151234     10.14185837      6.48391079      3.28857727
    C      6.40358664     11.64080626      6.48455748      4.06767521
    C     19.36347003     19.49873417     23.22286245      3.28856788
    C     19.34652299     19.49807840     24.71987641      4.06895645
    C     19.37645143     19.49583773     15.88526205      3.28739305
    C     19.39610594     19.49032980     14.38743971      4.06932399
    C     19.36390799     15.83223117     19.54744649      3.28745763
    C     19.37925098     14.33417988     19.54605710      4.06930435
    C     19.37588781     23.17703692     19.54156235      3.28857429
    C     19.36146994     24.67423364     19.53990956      4.06890199
    C     15.70097393     19.52275454     19.55976103      3.28010878
    C     14.21134192     19.54319005     19.56883028      4.19898738
    C     23.03613718     19.47914320     19.54215416      3.28816492
    C     24.53308156     19.45236432     19.52338305      4.06903524
    H     13.30336897     17.21277854     17.32880398      0.75841787
    H     14.93606575     17.69088654     17.79962670      0.73743023
  107
Geometry Step: 61
   Zn      7.58844991      5.31898436      5.34312878     11.21135601
   Zn      5.28773107      7.62044055      5.32697141     11.20815963
   Zn      5.27944687      5.31322810      7.63257243     11.20796334
   Zn      7.58471901      7.63086821      7.64680469     11.20725497
   Zn     18.22015343     20.66068756     20.70322333     11.20712324
   Zn     20.52105755     18.34977205     20.71642153     11.20747741
   Zn     18.24217053     18.35442414     18.40414761     11.20864679
   Zn     20.53073527     20.66528923     18.40318296     11.20729258
    O      6.43112090      6.47624244      6.49351633      6.72589171
    O     19.38145512     19.50743310     19.55520348      6.72214875
    O      7.23243770      5.65433787      3.42313220      6.55586743
    C      7.16330304     18.76723331     13.76741368      4.06941738
    H      7.82070851     18.11201696     14.33299846      0.89720669
    O      5.63351158      7.26786872      3.40671073      6.55795927
    C     18.61751312      7.18887600     13.66633995      4.06962336
    H     17.94587876      7.84608083     14.21275210      0.89802991
    O      5.62232681      5.65793129      9.55534844      6.55808275
    C     18.57267307     18.63140796     12.27365395      4.06980177
    H     17.91974908     17.97183716     11.70712763      0.89786625
    O      7.21746675      7.27671157      9.56785870      6.55794572
    C      7.24039817      7.32809945     12.37660000      4.06904755
    H      7.91328784      7.98588380     11.83213228      0.89769308
    O      3.36595344      7.28046377      5.67944553      6.55800907
    C     13.58693479      7.25715440     18.71584688      4.06967244
    H     14.14678567      7.90566620     18.04651615      0.89794511
    O      3.35924375      5.67625270      7.28954624      6.55794763
    C     13.60963366     18.67848027      7.29477242      4.06965957
    H     14.16297072     18.01082856      7.95060215      0.89794552
    O      9.48894918      5.67549856      5.69965833      6.52027174
    N     12.02892964     18.74928556     18.79478933      5.35981641
    O      9.50469441      7.28827437      7.29844883      6.55822653
    C     12.32823858      7.32115764      7.33221721      4.16086820
    H     11.80537373      8.00505180      7.99322859      0.89322175
    O      5.61741882      3.39038507      7.28283103      6.55802263
    C     18.63193462     13.59714496      7.25185373      4.06961350
    H     17.95871150     14.14428335      7.90684551      0.89815490
    O      7.23145968      3.39916064      5.68466122      6.55602960
    C      7.15512967     13.76991734     18.77394527      4.06940532
    H      7.81762330     14.33392354     18.12223749      0.89714760
    O      5.63380040      9.54276735      5.66837233      6.55800008
    C     18.55645114     12.21964314     18.68933824      4.06986421
    H     17.90525920     11.65259001     18.02871132      0.89782770
    O      7.21874368      9.55318721      7.29694424      6.55768685
    C      7.24840866     12.36356296      7.34370054      4.06897766
    H      7.91647604     11.81944677      8.00681351      0.89767447
    O     18.57451413     20.31068795     22.62084249      6.55754230
    C     18.63511948      7.18626106     12.27546018      4.06974552
    H     17.97746507      7.84131774     11.70995478      0.89793352
    O     20.16634752     18.68953154     22.63532415      6.55720125
    C      7.18089976     18.76441514     12.37643750      4.06966963
    H      7.85231740     18.10686449     11.83002278      0.89834214
    O     18.56142144     18.69953107     16.47589655      6.56119132
    C     18.54920163     18.63320354     13.66485463      4.06991282
    H     17.87630688     17.97432647     14.20824092      0.90044292
    O     20.17677803     20.29787555     16.48475240      6.55760565
    C      7.21716365      7.32972185     13.76774624      4.06938584
    H      7.87034389      7.98879487     14.33442101      0.89768462
    O     20.16505447     16.43152242     20.34937742      6.55764279
    C      7.22710465     13.75477564      7.34156153      4.06936446
    H      7.87860676     14.32146074      8.00211893      0.89768492
    O     18.55438493     16.42360709     18.74667619      6.56142488
    C     18.53448819     13.61085918     18.68772420      4.06991571
    H     17.86532954     14.15357110     18.02437018      0.90056041
    O     18.57980612     22.57758232     20.34849608      6.55775044
    C     18.64695921     12.20615416      7.24904565      4.06971589
    H     17.98503304     11.64201098      7.90126129      0.89786709
    O     20.18441151     22.58626183     18.74007423      6.55713836
    C      7.16983403     12.37888142     18.77067511      4.06972442
    H      7.84278285     11.83132880     18.11565639      0.89842099
    O     16.31206654     18.71172818     18.75888179      6.59807786
    C     13.38846250     18.69606696     18.75303562      3.62647566
    N     13.92727264     17.78220359     17.88228570      5.42656862
    O     16.30430692     20.32392996     20.35585707      6.55433223
    C     13.71680163      7.27173353      7.28736791      4.03487754
    H     14.31938640      7.92188603      7.91729763      0.89487788
    O     22.43968076     18.68918521     20.35685832      6.55776858
    C     12.21867775     18.70212797      7.31120739      4.06962547
    H     11.65944752     18.05290671      7.98052512      0.89811992
    O     22.44729280     20.29196823     18.74494374      6.55785834
    C     12.19600792      7.28098763     18.73201126      4.06967291
    H     11.64327533      7.94854286     18.07543735      0.89812164
    C      6.43849809      6.45952843      2.82067574      3.28918333
    C      6.45215397      6.45527533      1.32312751      4.06778597
    C      6.41316137      6.46934110     10.15519731      3.28842271
    C      6.39265038      6.47152322     11.65404223      4.06779258
    C      2.76933652      6.48636163      6.49000167      3.28853434
    C      1.27178672      6.50773297      6.50413594      4.06828577
    C     10.09147831      6.47292470      6.49557834      3.31972914
    C     11.59651696      6.45903912      6.49340334      3.88240442
    C      6.42918056      2.80012849      6.48421747      3.28920280
    C      6.44063772      1.30224113      6.48250300      4.06776094
    C      6.42116487     10.14167171      6.48393393      3.28857461
    C      6.40334223     11.64056469      6.48487961      4.06768737
    C     19.36358004     19.49936070     23.22275428      3.28855627
    C     19.34683172     19.49882557     24.71966009      4.06895446
    C     19.37672991     19.49599814     15.88547260      3.28738091
    C     19.39653553     19.49043135     14.38764061      4.06933581
    C     19.36490664     15.83231907     19.54747393      3.28744167
    C     19.37996268     14.33426663     19.54632479      4.06932416
    C     19.37599160     23.17675054     19.54221941      3.28854416
    C     19.36179138     24.67387792     19.54082572      4.06889811
    C     15.70047904     19.52231072     19.55839599      3.28019019
    C     14.21072414     19.54239632     19.56818472      4.19902183
    C     23.03698222     19.47963532     19.54284688      3.28815503
    C     24.53385885     19.45298555     19.52409164      4.06901291
    H     13.30234220     17.21303584     17.32776255      0.75835796
    H     14.93525854     17.69042588     17.79945578      0.73737397
  107
Geometry Step: 62
   Zn      7.58828608      5.31940107      5.34336027     11.21144331
   Zn      5.28749721      7.62007947      5.32695921     11.20813817
   Zn      5.27900298      5.31331857      7.63251762     11.20791895
   Zn      7.58510277      7.63091408      7.64685570     11.20727842
   Zn     18.22014206     20.65996982     20.70272283     11.20718288
   Zn     20.52160320     18.35011959     20.71642722     11.20745458
   Zn     18.24148931     18.35426253     18.40407417     11.20861491
   Zn     20.53129560     20.66507295     18.40348674     11.20724536
    O      6.43117329      6.47651872      6.49383108      6.72585528
    O     19.38155035     19.50682898     19.55491092      6.72212750
    O      7.23326818      5.65488712      3.42294281      6.55586066
    C      7.16287976     18.76675480     13.76727036      4.06938929
    H      7.82038608     18.11142949     14.33275368      0.89718229
    O      5.63256249      7.26680186      3.40680500      6.55795383
    C     18.61753850      7.18917879     13.66645850      4.06963133
    H     17.94555204      7.84601829     14.21314759      0.89803542
    O      5.62161746      5.65837953      9.55545301      6.55813216
    C     18.57296348     18.63171864     12.27395388      4.06982494
    H     17.92040188     17.97206070     11.70727040      0.89784025
    O      7.21717962      7.27679698      9.56775311      6.55797290
    C      7.24041974      7.32847911     12.37642818      4.06904160
    H      7.91334327      7.98618694     11.83189361      0.89768177
    O      3.36560400      7.28006360      5.67905823      6.55800868
    C     13.58701275      7.25748153     18.71513992      4.06966815
    H     14.14677857      7.90585604     18.04573907      0.89792134
    O      3.35883263      5.67650245      7.28945872      6.55801140
    C     13.60979675     18.67802699      7.29478403      4.06967726
    H     14.16330860     18.01032810      7.95024655      0.89791600
    O      9.48902754      5.67597374      5.69964525      6.52020272
    N     12.02857916     18.74917295     18.79398225      5.35986929
    O      9.50523005      7.28894085      7.29890357      6.55811533
    C     12.32840476      7.32102104      7.33214322      4.16089478
    H     11.80552950      8.00450296      7.99362878      0.89322893
    O      5.61699811      3.39050423      7.28257573      6.55803457
    C     18.63197387     13.59741209      7.25209887      4.06961979
    H     17.95839085     14.14475979      7.90680795      0.89815292
    O      7.23093494      3.39935448      5.68419769      6.55604626
    C      7.15475830     13.76961498     18.77378356      4.06936987
    H      7.81731926     14.33352277     18.12192154      0.89714034
    O      5.63300441      9.54267094      5.66880114      6.55808058
    C     18.55678376     12.22009829     18.68960661      4.06988497
    H     17.90562264     11.65289819     18.02921243      0.89780044
    O      7.21895577      9.55309706      7.29644980      6.55771767
    C      7.24835662     12.36302270      7.34402937      4.06898248
    H      7.91631376     11.81862259      8.00702451      0.89764344
    O     18.57370108     20.31050903     22.62086355      6.55754760
    C     18.63538753      7.18702553     12.27552090      4.06973083
    H     17.97755290      7.84195666     11.70991359      0.89791454
    O     20.16728178     18.69087994     22.63517062      6.55719961
    C      7.18069642     18.76443616     12.37624902      4.06968950
    H      7.85223338     18.10721356     11.82935951      0.89834503
    O     18.56107134     18.70027268     16.47597265      6.56121817
    C     18.54953128     18.63325677     13.66509997      4.06990569
    H     17.87669791     17.97432855     14.20851691      0.90042508
    O     20.17769622     20.29738090     16.48496664      6.55765200
    C      7.21724682      7.32983628     13.76753848      4.06939533
    H      7.87022967      7.98891608     14.33429798      0.89767030
    O     20.16580995     16.43164727     20.34952595      6.55769164
    C      7.22702033     13.75418318      7.34204264      4.06936906
    H      7.87847005     14.32089916      8.00251302      0.89766884
    O     18.55553657     16.42355450     18.74634729      6.56150090
    C     18.53480758     13.61124627     18.68809243      4.06991619
    H     17.86566443     14.15411138     18.02483935      0.90053100
    O     18.57907022     22.57722324     20.34827773      6.55773283
    C     18.64726381     12.20635467      7.24966315      4.06969327
    H     17.98533094     11.64204747      7.90187625      0.89785837
    O     20.18505329     22.58597988     18.74112773      6.55717545
    C      7.16972682     12.37852112     18.77096397      4.06974284
    H      7.84293433     11.83056337     18.11632715      0.89841935
    O     16.31126867     18.71094731     18.75766863      6.59801277
    C     13.38809168     18.69561684     18.75239380      3.62650161
    N     13.92641580     17.78112721     17.88214952      5.42654735
    O     16.30431891     20.32319217     20.35463415      6.55432432
    C     13.71700026      7.27164364      7.28727495      4.03484047
    H     14.31944572      7.92208055      7.91725216      0.89491973
    O     22.44030871     18.68986951     20.35754242      6.55777100
    C     12.21892382     18.70198794      7.31186486      4.06962005
    H     11.65977528     18.05286643      7.98117958      0.89810253
    O     22.44785132     20.29199256     18.74533902      6.55788398
    C     12.19616156      7.28160311     18.73197212      4.06968134
    H     11.64328289      7.94914960     18.07570226      0.89810255
    C      6.43837415      6.45930976      2.82070512      3.28919876
    C      6.45183576      6.45493803      1.32321063      4.06777757
    C      6.41278086      6.46959996     10.15518114      3.28840303
    C      6.39251668      6.47194993     11.65398231      4.06780986
    C      2.76873537      6.48615109      6.48956711      3.28853053
    C      1.27122393      6.50737404      6.50348983      4.06826512
    C     10.09141391      6.47311575      6.49597435      3.31981328
    C     11.59663103      6.45884806      6.49347179      3.88238440
    C      6.42859054      2.80032765      6.48370836      3.28919810
    C      6.44026731      1.30249294      6.48205664      4.06775981
    C      6.42080013     10.14155374      6.48400329      3.28855185
    C      6.40307321     11.64036333      6.48515402      4.06769588
    C     19.36373949     19.49995389     23.22259083      3.28857387
    C     19.34711231     19.49957903     24.71949862      4.06896736
    C     19.37700006     19.49614565     15.88563902      3.28735838
    C     19.39690271     19.49052316     14.38780314      4.06934518
    C     19.36585163     15.83238188     19.54745435      3.28741038
    C     19.38064435     14.33435617     19.54658519      4.06933293
    C     19.37618814     23.17638382     19.54291345      3.28855125
    C     19.36203336     24.67352247     19.54169693      4.06890879
    C     15.70007898     19.52198724     19.55709521      3.28023203
    C     14.21033475     19.54179134     19.56764552      4.19901414
    C     23.03780806     19.48012546     19.54351762      3.28816207
    C     24.53470253     19.45359582     19.52479104      4.06899945
    H     13.30097552     17.21326376     17.32699741      0.75831224
    H     14.93427528     17.68985713     17.79888452      0.73734966
  107
Geometry Step: 63
   Zn      7.58826199      5.31971902      5.34358161     11.21152210
   Zn      5.28721566      7.61978691      5.32680135     11.20811314
   Zn      5.27857062      5.31333307      7.63242676     11.20787973
   Zn      7.58533880      7.63090247      7.64691018     11.20728579
   Zn     18.22027404     20.65936627     20.70222124     11.20725061
   Zn     20.52213242     18.35048958     20.71648854     11.20743161
   Zn     18.24100830     18.35416821     18.40400313     11.20858057
   Zn     20.53181588     20.66489488     18.40383299     11.20721789
    O      6.43123531      6.47675343      6.49400778      6.72584538
    O     19.38172145     19.50630530     19.55465791      6.72207701
    O      7.23390034      5.65530843      3.42266119      6.55587587
    C      7.16249651     18.76635546     13.76714251      4.06936431
    H      7.82011050     18.11095305     14.33258778      0.89716137
    O      5.63172191      7.26601771      3.40681676      6.55792110
    C     18.61760920      7.18936960     13.66660521      4.06964839
    H     17.94535174      7.84590999     14.21347484      0.89803874
    O      5.62104037      5.65880444      9.55547644      6.55818101
    C     18.57331405     18.63204239     12.27412393      4.06984038
    H     17.92096052     17.97225462     11.70749297      0.89783155
    O      7.21701870      7.27686461      9.56782471      6.55799882
    C      7.24045346      7.32868234     12.37637532      4.06904219
    H      7.91326282      7.98637913     11.83172303      0.89766202
    O      3.36521383      7.27974131      5.67868245      6.55800848
    C     13.58708895      7.25765900     18.71462122      4.06966482
    H     14.14674155      7.90592985     18.04515122      0.89789514
    O      3.35847019      5.67672721      7.28934692      6.55804700
    C     13.60992375     18.67772829      7.29476279      4.06968272
    H     14.16346966     18.00988641      7.94989898      0.89789493
    O      9.48907940      5.67592800      5.69977987      6.52012422
    N     12.02815734     18.74935208     18.79308905      5.35988265
    O      9.50568270      7.28906343      7.29939277      6.55803813
    C     12.32878134      7.32095734      7.33196283      4.16091087
    H     11.80573514      8.00389508      7.99405971      0.89325940
    O      5.61652164      3.39051865      7.28241303      6.55802822
    C     18.63213106     13.59775320      7.25222136      4.06962364
    H     17.95821763     14.14518819      7.90669427      0.89814443
    O      7.23057196      3.39948315      5.68387614      6.55602784
    C      7.15436729     13.76931530     18.77371193      4.06935054
    H      7.81694397     14.33326210     18.12179920      0.89713793
    O      5.63240826      9.54258295      5.66911409      6.55815602
    C     18.55706838     12.22042540     18.68991828      4.06989569
    H     17.90593117     11.65323168     18.02954881      0.89778496
    O      7.21909718      9.55309941      7.29609322      6.55776938
    C      7.24820182     12.36266850      7.34423512      4.06899278
    H      7.91609983     11.81806081      8.00707842      0.89761905
    O     18.57294187     20.31030522     22.62097424      6.55754531
    C     18.63561825      7.18762652     12.27560744      4.06970647
    H     17.97768337      7.84253359     11.70992148      0.89789887
    O     20.16808457     18.69198327     22.63499814      6.55717457
    C      7.18044784     18.76448801     12.37606821      4.06971040
    H      7.85216465     18.10759592     11.82889954      0.89835361
    O     18.56081717     18.70085654     16.47594369      6.56126190
    C     18.54977395     18.63340943     13.66524696      4.06991396
    H     17.87714764     17.97443366     14.20883758      0.90040214
    O     20.17847311     20.29694401     16.48519461      6.55769959
    C      7.21719248      7.32986493     13.76747476      4.06940488
    H      7.87008499      7.98901749     14.33414879      0.89766797
    O     20.16642291     16.43180123     20.34962991      6.55775437
    C      7.22686925     13.75381115      7.34234844      4.06937520
    H      7.87831646     14.32048997      8.00282270      0.89765994
    O     18.55642898     16.42349371     18.74612097      6.56156902
    C     18.53511622     13.61154560     18.68847411      4.06992625
    H     17.86606077     14.15462324     18.02534674      0.90050367
    O     18.57843223     22.57693032     20.34806046      6.55768112
    C     18.64761950     12.20663122      7.25009261      4.06967886
    H     17.98571289     11.64213675      7.90226299      0.89785994
    O     20.18566999     22.58576332     18.74196089      6.55718496
    C      7.16953400     12.37816235     18.77126193      4.06974804
    H      7.84303424     11.83004358     18.11691827      0.89841814
    O     16.31063242     18.71020953     18.75689521      6.59797297
    C     13.38767955     18.69555121     18.75176649      3.62652949
    N     13.92549220     17.78004031     17.88227959      5.42652613
    O     16.30436146     20.32256151     20.35369667      6.55436633
    C     13.71741762      7.27149215      7.28723368      4.03482422
    H     14.31956583      7.92219638      7.91710984      0.89490565
    O     22.44088730     18.69046332     20.35814559      6.55776526
    C     12.21912277     18.70195914      7.31233791      4.06961883
    H     11.66002851     18.05296044      7.98163973      0.89808485
    O     22.44832552     20.29201518     18.74569982      6.55788405
    C     12.19630545      7.28200693     18.73198877      4.06968345
    H     11.64335026      7.94962335     18.07605003      0.89809037
    C      6.43812490      6.45908499      2.82069753      3.28922055
    C      6.45157863      6.45468501      1.32318973      4.06778501
    C      6.41250105      6.46976739     10.15521007      3.28837718
    C      6.39241345      6.47229700     11.65396073      4.06781128
    C      2.76817331      6.48593898      6.48914482      3.28853469
    C      1.27063323      6.50703567      6.50295523      4.06825229
    C     10.09139740      6.47314048      6.49615105      3.31986866
    C     11.59675408      6.45888767      6.49337321      3.88239992
    C      6.42801696      2.80054090      6.48324554      3.28921029
    C      6.43999725      1.30270794      6.48172835      4.06776856
    C      6.42046526     10.14149280      6.48406908      3.28851660
    C      6.40280315     11.64020985      6.48533865      4.06769559
    C     19.36395163     19.50047347     23.22245320      3.28860304
    C     19.34733295     19.50017246     24.71945035      4.06898488
    C     19.37726230     19.49628490     15.88574947      3.28733071
    C     19.39719708     19.49059470     14.38792746      4.06934931
    C     19.36663237     15.83244944     19.54744176      3.28737116
    C     19.38122281     14.33447321     19.54681476      4.06933278
    C     19.37646114     23.17603266     19.54354477      3.28857926
    C     19.36220657     24.67325209     19.54234901      4.06892867
    C     15.69975765     19.52171698     19.55609903      3.28022720
    C     14.21013780     19.54133579     19.56724756      4.19895896
    C     23.03854561     19.48057836     19.54411907      3.28818204
    C     24.53552545     19.45411928     19.52536652      4.06900013
    H     13.29953334     17.21333722     17.32646217      0.75829420
    H     14.93328080     17.68922676     17.79799146      0.73735791
  107
Geometry Step: 64
   Zn      7.58826349      5.31986723      5.34373528     11.21155554
   Zn      5.28719498      7.61966394      5.32657267     11.20809867
   Zn      5.27838580      5.31311966      7.63241784     11.20786184
   Zn      7.58534622      7.63091892      7.64692246     11.20728039
   Zn     18.22052436     20.65912530     20.70186706     11.20732155
   Zn     20.52220753     18.35063905     20.71654583     11.20742799
   Zn     18.24091417     18.35420841     18.40396486     11.20856575
   Zn     20.53193220     20.66481894     18.40398703     11.20721982
    O      6.43127363      6.47682060      6.49410826      6.72584866
    O     19.38186262     19.50608135     19.55452813      6.72198668
    O      7.23394363      5.65529603      3.42240347      6.55590899
    C      7.16253312     18.76622668     13.76708141      4.06935743
    H      7.82019806     18.11088585     14.33268822      0.89714162
    O      5.63161729      7.26605462      3.40672662      6.55787933
    C     18.61758367      7.18948332     13.66666465      4.06965484
    H     17.94531611      7.84599590     14.21357316      0.89803600
    O      5.62099378      5.65881309      9.55548429      6.55821470
    C     18.57344260     18.63221146     12.27414183      4.06983573
    H     17.92112441     17.97229852     11.70765057      0.89784560
    O      7.21696601      7.27692025      9.56797605      6.55801535
    C      7.24057130      7.32868421     12.37637215      4.06904921
    H      7.91319418      7.98641874     11.83156821      0.89763873
    O      3.36511387      7.27976008      5.67869843      6.55801995
    C     13.58709125      7.25772112     18.71452376      4.06966010
    H     14.14669149      7.90603141     18.04507390      0.89788191
    O      3.35835839      5.67674824      7.28930044      6.55805294
    C     13.60993266     18.67771012      7.29486913      4.06967495
    H     14.16335381     18.00976031      7.94995925      0.89788855
    O      9.48891378      5.67578462      5.70000307      6.52009529
    N     12.02800468     18.74940749     18.79274862      5.35983518
    O      9.50597303      7.28899550      7.29963940      6.55802623
    C     12.32907255      7.32089843      7.33182080      4.16092237
    H     11.80577735      8.00393656      7.99375976      0.89328455
    O      5.61644816      3.39034457      7.28262591      6.55800151
    C     18.63220426     13.59792156      7.25226136      4.06962007
    H     17.95818829     14.14541358      7.90661536      0.89812631
    O      7.23063184      3.39948659      5.68394370      6.55600030
    C      7.15430193     13.76921417     18.77363310      4.06935513
    H      7.81683197     14.33338654     18.12182082      0.89713416
    O      5.63236549      9.54254868      5.66922385      6.55820421
    C     18.55710352     12.22053843     18.69006495      4.06988767
    H     17.90603698     11.65339857     18.02952150      0.89779181
    O      7.21905766      9.55327404      7.29621671      6.55780539
    C      7.24813904     12.36262890      7.34423597      4.06900324
    H      7.91602765     11.81791241      8.00696156      0.89760371
    O     18.57268749     20.31027076     22.62110264      6.55754793
    C     18.63554211      7.18777515     12.27563383      4.06969358
    H     17.97765361      7.84266665     11.70976927      0.89788006
    O     20.16804525     18.69204352     22.63484829      6.55714559
    C      7.18039692     18.76441611     12.37597252      4.06971183
    H      7.85216808     18.10761115     11.82878708      0.89836194
    O     18.56086309     18.70077273     16.47579397      6.56130363
    C     18.54970347     18.63353667     13.66525425      4.06993230
    H     17.87733953     17.97453933     14.20911491      0.90037883
    O     20.17851534     20.29684900     16.48527804      6.55772740
    C      7.21712327      7.32982268     13.76746373      4.06939968
    H      7.87005285      7.98907369     14.33397592      0.89768600
    O     20.16645028     16.43187257     20.34963494      6.55778983
    C      7.22682625     13.75377446      7.34232802      4.06937122
    H      7.87828796     14.32044047      8.00286976      0.89766552
    O     18.55646040     16.42343412     18.74611845      6.56161581
    C     18.53518851     13.61166251     18.68859669      4.06994346
    H     17.86631554     14.15497263     18.02552070      0.90048637
    O     18.57815119     22.57691023     20.34806298      6.55762053
    C     18.64769414     12.20677002      7.25020148      4.06968042
    H     17.98584778     11.64203322      7.90224213      0.89785736
    O     20.18560758     22.58564198     18.74202080      6.55717849
    C      7.16945808     12.37802727     18.77127902      4.06973572
    H      7.84308423     11.82992797     18.11703417      0.89841616
    O     16.31056361     18.71014501     18.75698596      6.59797653
    C     13.38756637     18.69573410     18.75152652      3.62654603
    N     13.92533499     17.77985632     17.88225389      5.42654079
    O     16.30437277     20.32261985     20.35356600      6.55441035
    C     13.71770070      7.27120712      7.28749554      4.03482618
    H     14.31951002      7.92224012      7.91710911      0.89485783
    O     22.44097414     18.69041233     20.35810608      6.55776308
    C     12.21915739     18.70195583      7.31242512      4.06962079
    H     11.66000156     18.05300639      7.98164838      0.89807673
    O     22.44836658     20.29196106     18.74577140      6.55787053
    C     12.19633180      7.28203831     18.73191872      4.06968052
    H     11.64338941      7.94970765     18.07611366      0.89808955
    C      6.43798640      6.45903746      2.82062073      3.28923730
    C      6.45159538      6.45472027      1.32307762      4.06780498
    C      6.41246799      6.46974558     10.15526150      3.28835214
    C      6.39241086      6.47245981     11.65395318      4.06780253
    C      2.76801157      6.48590475      6.48906691      3.28853627
    C      1.27041994      6.50699587      6.50287750      4.06825001
    C     10.09141073      6.47309819      6.49618110      3.31986694
    C     11.59679760      6.45879408      6.49339192      3.88243353
    C      6.42786604      2.80061389      6.48315046      3.28922860
    C      6.43999267      1.30277375      6.48166620      4.06778728
    C      6.42034888     10.14155346      6.48417900      3.28848748
    C      6.40272988     11.64019478      6.48535402      4.06768956
    C     19.36398897     19.50057510     23.22238815      3.28862767
    C     19.34733822     19.50024953     24.71948483      4.06900622
    C     19.37732086     19.49627129     15.88571120      3.28730912
    C     19.39723026     19.49056344     14.38793659      4.06934889
    C     19.36674973     15.83246471     19.54741323      3.28734451
    C     19.38135547     14.33455700     19.54685412      4.06932884
    C     19.37652261     23.17587679     19.54378351      3.28861089
    C     19.36220261     24.67317447     19.54244867      4.06895370
    C     15.69971009     19.52174275     19.55605462      3.28019170
    C     14.21025689     19.54101770     19.56748261      4.19890577
    C     23.03869149     19.48060272     19.54419667      3.28819848
    C     24.53575317     19.45418660     19.52544947      4.06901296
    H     13.29934934     17.21309684     17.32632777      0.75830139
    H     14.93317971     17.68914733     17.79759183      0.73737473
  107
Geometry Step: 65
   Zn      7.58824572      5.32001449      5.34385459     11.21155121
   Zn      5.28715979      7.61956828      5.32635591     11.20809658
   Zn      5.27815160      5.31289137      7.63246304     11.20785242
   Zn      7.58533380      7.63091925      7.64687841     11.20727355
   Zn     18.22069597     20.65889862     20.70148321     11.20737928
   Zn     20.52229420     18.35078981     20.71657310     11.20743817
   Zn     18.24092392     18.35430000     18.40393629     11.20856553
   Zn     20.53204207     20.66469102     18.40415989     11.20723577
    O      6.43125138      6.47681518      6.49421838      6.72586750
    O     19.38200571     19.50592424     19.55443204      6.72188573
    O      7.23395957      5.65529557      3.42218193      6.55594283
    C      7.16259141     18.76611371     13.76695755      4.06936300
    H      7.82029524     18.11085493     14.33274464      0.89712403
    O      5.63154894      7.26608801      3.40666554      6.55784718
    C     18.61757850      7.18963581     13.66672424      4.06965583
    H     17.94530662      7.84609218     14.21361866      0.89802841
    O      5.62099213      5.65879785      9.55548123      6.55823881
    C     18.57360436     18.63237295     12.27416472      4.06982705
    H     17.92125950     17.97234017     11.70784331      0.89786699
    O      7.21690487      7.27701374      9.56807693      6.55802343
    C      7.24068200      7.32864215     12.37635065      4.06905853
    H      7.91310055      7.98647436     11.83142180      0.89762173
    O      3.36498622      7.27980834      5.67866676      6.55801495
    C     13.58711680      7.25781133     18.71448581      4.06965592
    H     14.14661388      7.90620668     18.04496879      0.89788168
    O      3.35819996      5.67668339      7.28924812      6.55804341
    C     13.60996285     18.67774187      7.29501352      4.06966351
    H     14.16321272     18.00959896      7.95010643      0.89789505
    O      9.48858825      5.67581180      5.70033261      6.52011941
    N     12.02774783     18.74926630     18.79255793      5.35977374
    O      9.50626437      7.28893653      7.29979822      6.55805200
    C     12.32937586      7.32076145      7.33177710      4.16093420
    H     11.80589590      8.00410690      7.99325889      0.89329685
    O      5.61641246      3.39019110      7.28283429      6.55797988
    C     18.63228853     13.59807958      7.25230937      4.06960981
    H     17.95818101     14.14558247      7.90649250      0.89810529
    O      7.23066885      3.39955276      5.68400915      6.55597056
    C      7.15421073     13.76905987     18.77354289      4.06937694
    H      7.81667258     14.33348022     18.12188121      0.89713446
    O      5.63233194      9.54246008      5.66935190      6.55822921
    C     18.55713038     12.22064762     18.69025336      4.06987505
    H     17.90612832     11.65360563     18.02947006      0.89780811
    O      7.21902009      9.55340466      7.29638381      6.55781897
    C      7.24802355     12.36258097      7.34422217      4.06901352
    H      7.91594101     11.81778469      8.00683299      0.89759694
    O     18.57246314     20.31022488     22.62112314      6.55756350
    C     18.63543658      7.18791648     12.27568607      4.06968987
    H     17.97760769      7.84280007     11.70968559      0.89786420
    O     20.16794447     18.69210594     22.63464101      6.55712542
    C      7.18031452     18.76431076     12.37583628      4.06970277
    H      7.85216979     18.10760094     11.82875734      0.89836596
    O     18.56092959     18.70066154     16.47565880      6.56133454
    C     18.54963782     18.63372100     13.66527695      4.06995212
    H     17.87756553     17.97465937     14.20940447      0.90036065
    O     20.17853023     20.29678509     16.48538136      6.55775010
    C      7.21701577      7.32979364     13.76744310      4.06939195
    H      7.87004418      7.98913167     14.33376236      0.89771143
    O     20.16646390     16.43198623     20.34967953      6.55780569
    C      7.22679610     13.75374161      7.34226415      4.06936345
    H      7.87827673     14.32034995      8.00293138      0.89768025
    O     18.55647910     16.42344641     18.74614599      6.56165097
    C     18.53532953     13.61179055     18.68873768      4.06996061
    H     17.86663210     14.15533704     18.02571945      0.90047896
    O     18.57789124     22.57681799     20.34810166      6.55755866
    C     18.64777757     12.20692510      7.25033066      4.06969549
    H     17.98599664     11.64198996      7.90221229      0.89785709
    O     20.18549937     22.58544399     18.74212588      6.55717650
    C      7.16935831     12.37786233     18.77129458      4.06971249
    H      7.84313226     11.82989207     18.11718079      0.89841206
    O     16.31058609     18.71012646     18.75707297      6.59797244
    C     13.38734438     18.69584229     18.75130030      3.62654657
    N     13.92518283     17.77983796     17.88209715      5.42653242
    O     16.30431551     20.32275227     20.35340503      6.55445702
    C     13.71796734      7.27083624      7.28782478      4.03483786
    H     14.31952114      7.92222424      7.91704146      0.89479186
    O     22.44110950     18.69030712     20.35809691      6.55774887
    C     12.21917329     18.70193727      7.31246057      4.06962475
    H     11.65999549     18.05300156      7.98168909      0.89808005
    O     22.44844181     20.29197047     18.74585023      6.55784405
    C     12.19634131      7.28203092     18.73182051      4.06967464
    H     11.64344402      7.94983320     18.07611299      0.89810096
    C      6.43783255      6.45897401      2.82052433      3.28925169
    C      6.45160262      6.45481955      1.32295566      4.06781973
    C      6.41243890      6.46975729     10.15527037      3.28832854
    C      6.39238975      6.47262130     11.65390725      4.06779027
    C      2.76791223      6.48586955      6.48898242      3.28854044
    C      1.27026851      6.50696681      6.50282555      4.06824805
    C     10.09151824      6.47312007      6.49619865      3.31982518
    C     11.59681924      6.45867922      6.49350640      3.88246628
    C      6.42775517      2.80069998      6.48307225      3.28924200
    C      6.43995925      1.30284100      6.48166084      4.06780782
    C      6.42024475     10.14154740      6.48430715      3.28846622
    C      6.40263491     11.64012279      6.48537310      4.06768167
    C     19.36402697     19.50070395     23.22230800      3.28864531
    C     19.34734820     19.50028183     24.71948311      4.06902001
    C     19.37739807     19.49624116     15.88569312      3.28729141
    C     19.39728596     19.49054150     14.38797654      4.06934251
    C     19.36685403     15.83254848     19.54741010      3.28732217
    C     19.38152131     14.33470096     19.54689123      4.06932464
    C     19.37654433     23.17569108     19.54402991      3.28863877
    C     19.36221615     24.67305568     19.54250392      4.06897470
    C     15.69967486     19.52166553     19.55608136      3.28015563
    C     14.21035574     19.54063214     19.56767143      4.19887943
    C     23.03879170     19.48061577     19.54427003      3.28821825
    C     24.53592709     19.45424678     19.52550529      4.06902450
    H     13.29934170     17.21278677     17.32607492      0.75832312
    H     14.93312459     17.68909731     17.79720532      0.73740241
  107
Geometry Step: 66
   Zn      7.58810234      5.32024014      5.34394228     11.21151177
   Zn      5.28702180      7.61946395      5.32625074     11.20809698
   Zn      5.27777519      5.31276402      7.63260451     11.20783780
   Zn      7.58552540      7.63100604      7.64683586     11.20726324
   Zn     18.22071715     20.65864834     20.70112247     11.20739720
   Zn     20.52256863     18.35096204     20.71659105     11.20744912
   Zn     18.24086303     18.35431914     18.40384815     11.20856760
   Zn     20.53230073     20.66449447     18.40435170     11.20724499
    O      6.43113283      6.47684026      6.49447427      6.72591939
    O     19.38211320     19.50573600     19.55432106      6.72184367
    O      7.23410828      5.65545343      3.42202198      6.55596423
    C      7.16251700     18.76599028     13.76672532      4.06937413
    H      7.82022621     18.11081659     14.33264544      0.89710762
    O      5.63132076      7.26582939      3.40664492      6.55785676
    C     18.61767692      7.18988553     13.66678664      4.06965234
    H     17.94527546      7.84611339     14.21367268      0.89802021
    O      5.62083310      5.65878260      9.55552674      6.55823857
    C     18.57386735     18.63255023     12.27426431      4.06982540
    H     17.92154003     17.97247171     11.70798475      0.89787619
    O      7.21668492      7.27711692      9.56797496      6.55802235
    C      7.24071911      7.32867992     12.37627772      4.06906352
    H      7.91303293      7.98657918     11.83130372      0.89761958
    O      3.36477536      7.27975483      5.67853406      6.55799325
    C     13.58717015      7.25803023     18.71437282      4.06965005
    H     14.14654778      7.90645719     18.04468970      0.89788780
    O      3.35788817      5.67656808      7.28918540      6.55803160
    C     13.61004864     18.67771378      7.29515770      4.06965781
    H     14.16322471     18.00938597      7.95020535      0.89790339
    O      9.48810597      5.67623494      5.70072306      6.52017524
    N     12.02730677     18.74867260     18.79263367      5.35971894
    O      9.50669236      7.28920228      7.29997176      6.55808094
    C     12.32963574      7.32052063      7.33179811      4.16093706
    H     11.80610225      8.00431847      7.99263681      0.89328906
    O      5.61633737      3.39007903      7.28295366      6.55799315
    C     18.63241228     13.59821810      7.25238891      4.06959709
    H     17.95814262     14.14574112      7.90628153      0.89808370
    O      7.23049674      3.39979493      5.68399230      6.55595738
    C      7.15398396     13.76880593     18.77345199      4.06940230
    H      7.81636600     14.33338549     18.12191070      0.89713929
    O      5.63207855      9.54231067      5.66956250      6.55823110
    C     18.55724929     12.22084773     18.69050253      4.06987044
    H     17.90631196     11.65383698     18.02957771      0.89781314
    O      7.21897652      9.55340075      7.29644886      6.55779823
    C      7.24784765     12.36241182      7.34426576      4.06901988
    H      7.91580321     11.81753179      8.00674848      0.89759617
    O     18.57216370     20.31013335     22.62102225      6.55758793
    C     18.63545808      7.18816968     12.27576255      4.06969675
    H     17.97763751      7.84295096     11.70965892      0.89784984
    O     20.16800801     18.69247649     22.63445075      6.55713219
    C      7.18012868     18.76420080     12.37561375      4.06969215
    H      7.85209879     18.10767257     11.82860888      0.89836328
    O     18.56096351     18.70074154     16.47563431      6.56133381
    C     18.54972162     18.63393468     13.66537670      4.06996448
    H     17.87785851     17.97479110     14.20964559      0.90035091
    O     20.17875235     20.29669099     16.48554140      6.55775806
    C      7.21688983      7.32985300     13.76737725      4.06938801
    H      7.87002103      7.98917261     14.33360693      0.89772839
    O     20.16667822     16.43216089     20.34982398      6.55779756
    C      7.22676493     13.75358921      7.34228694      4.06935877
    H      7.87822037     14.32016247      8.00305908      0.89768594
    O     18.55679512     16.42355572     18.74613955      6.56166749
    C     18.53563089     13.61200809     18.68895519      4.06997167
    H     17.86703682     14.15573847     18.02602916      0.90047826
    O     18.57755392     22.57656424     20.34810771      6.55750742
    C     18.64797678     12.20707951      7.25057281      4.06971824
    H     17.98625402     11.64201624      7.90229633      0.89785637
    O     20.18549646     22.58519465     18.74251764      6.55720260
    C      7.16921456     12.37761514     18.77139382      4.06969065
    H      7.84318726     11.82972977     18.11753179      0.89840308
    O     16.31048667     18.70988830     18.75674680      6.59793969
    C     13.38690722     18.69557613     18.75116134      3.62653324
    N     13.92490649     17.77996362     17.88156663      5.42654905
    O     16.30420702     20.32269092     20.35284459      6.55449159
    C     13.71817264      7.27037347      7.28811399      4.03484024
    H     14.31966423      7.92214508      7.91689326      0.89475412
    O     22.44144984     18.69032726     20.35825931      6.55772811
    C     12.21922725     18.70184399      7.31257755      4.06962556
    H     11.66008286     18.05292686      7.98191077      0.89808681
    O     22.44871420     20.29206561     18.74601487      6.55781465
    C     12.19635863      7.28215393     18.73171201      4.06967110
    H     11.64346158      7.95008761     18.07609348      0.89811503
    C      6.43767211      6.45884275      2.82039687      3.28925593
    C      6.45153364      6.45484165      1.32281789      4.06782631
    C      6.41227422      6.46984661     10.15519249      3.28831215
    C      6.39229434      6.47283991     11.65381066      4.06778954
    C      2.76772787      6.48574996      6.48880418      3.28854518
    C      1.27004764      6.50683916      6.50260131      4.06824779
    C     10.09168723      6.47332222      6.49629944      3.31977978
    C     11.59685057      6.45846068      6.49372023      3.88248303
    C      6.42757886      2.80079125      6.48292887      3.28924048
    C      6.43982280      1.30290273      6.48156577      4.06782310
    C      6.42005942     10.14141923      6.48443315      3.28845937
    C      6.40246416     11.63995884      6.48543094      4.06768363
    C     19.36408242     19.50098077     23.22223082      3.28864512
    C     19.34742702     19.50048763     24.71943541      4.06902772
    C     19.37757274     19.49625178     15.88578087      3.28728341
    C     19.39747110     19.49059104     14.38809649      4.06934137
    C     19.36715870     15.83273549     19.54747052      3.28731045
    C     19.38185318     14.33491527     19.54702992      4.06932945
    C     19.37654011     23.17546861     19.54439514      3.28864922
    C     19.36231377     24.67286797     19.54275694      4.06898781
    C     15.69953989     19.52136611     19.55576896      3.28014440
    C     14.21022873     19.54007565     19.56764710      4.19887979
    C     23.03906161     19.48075623     19.54448922      3.28823636
    C     24.53624203     19.45447616     19.52574429      4.06903211
    H     13.29935286     17.21255837     17.32550875      0.75834947
    H     14.93289022     17.68895666     17.79681612      0.73742430
  107
Geometry Step: 67
   Zn      7.58785086      5.32054825      5.34395912     11.21145237
   Zn      5.28651641      7.61923556      5.32620174     11.20810484
   Zn      5.27697743      5.31277333      7.63278162     11.20780870
   Zn      7.58584024      7.63096498      7.64668040     11.20728094
   Zn     18.22031984     20.65808827     20.70052440     11.20738482
   Zn     20.52342228     18.35139918     20.71657518     11.20746498
   Zn     18.24074605     18.35436750     18.40374578     11.20857521
   Zn     20.53301218     20.66411454     18.40482035     11.20724865
    O      6.43080678      6.47679350      6.49478003      6.72600527
    O     19.38229868     19.50545221     19.55421794      6.72182316
    O      7.23482788      5.65608909      3.42184887      6.55595863
    C      7.16200624     18.76562593     13.76628844      4.06939122
    H      7.81980026     18.11045864     14.33217662      0.89709361
    O      5.63035822      7.26469336      3.40676379      6.55788655
    C     18.61794073      7.19028892     13.66695170      4.06965109
    H     17.94514784      7.84598763     14.21388152      0.89801741
    O      5.62024138      5.65916491      9.55554604      6.55824772
    C     18.57445346     18.63285870     12.27451970      4.06982501
    H     17.92212827     17.97274992     11.70829055      0.89788314
    O      7.21633670      7.27734150      9.56773068      6.55801237
    C      7.24066996      7.32883206     12.37613869      4.06906642
    H      7.91287090      7.98692339     11.83120223      0.89762910
    O      3.36413702      7.27936530      5.67784098      6.55793410
    C     13.58734293      7.25842057     18.71395248      4.06964205
    H     14.14641319      7.90685724     18.04385306      0.89790633
    O      3.35716406      5.67644520      7.28896858      6.55802821
    C     13.61031084     18.67748560      7.29525162      4.06965961
    H     14.16344742     18.00878580      7.95009866      0.89791948
    O      9.48751414      5.67715030      5.70120277      6.52029000
    N     12.02628236     18.74769100     18.79257159      5.35968658
    O      9.50726489      7.28983728      7.30025423      6.55807109
    C     12.33006121      7.32013558      7.33201614      4.16094054
    H     11.80669608      8.00428180      7.99237908      0.89327130
    O      5.61588939      3.39020298      7.28265377      6.55802147
    C     18.63270438     13.59850574      7.25256335      4.06958057
    H     17.95801199     14.14599995      7.90592956      0.89807342
    O      7.22982251      3.40020299      5.68350416      6.55594794
    C      7.15329644     13.76823963     18.77336631      4.06943394
    H      7.81566458     14.33284982     18.12190286      0.89715063
    O      5.63127849      9.54194419      5.67003315      6.55822697
    C     18.55761284     12.22124462     18.69103791      4.06986728
    H     17.90664755     11.65436401     18.03000501      0.89781695
    O      7.21913616      9.55312469      7.29608412      6.55773732
    C      7.24745497     12.36191560      7.34450178      4.06902591
    H      7.91545873     11.81691535      8.00684155      0.89760002
    O     18.57139340     20.30986522     22.62067369      6.55763172
    C     18.63576125      7.18887258     12.27595461      4.06970433
    H     17.97777988      7.84359519     11.70998885      0.89784812
    O     20.16886268     18.69396777     22.63412135      6.55714839
    C      7.17963225     18.76415310     12.37520215      4.06967718
    H      7.85196565     18.10803535     11.82829734      0.89836277
    O     18.56075455     18.70148883     16.47572374      6.56131099
    C     18.55013326     18.63430713     13.66562844      4.06997300
    H     17.87852800     17.97494657     14.20998225      0.90034730
    O     20.17969816     20.29632422     16.48590340      6.55778481
    C      7.21668310      7.33003155     13.76724144      4.06938582
    H      7.86995181      7.98927002     14.33338197      0.89774508
    O     20.16748099     16.43254398     20.35020906      6.55778154
    C      7.22664844     13.75310408      7.34254769      4.06934901
    H      7.87809055     14.31947964      8.00350666      0.89769743
    O     18.55801653     16.42383696     18.74601524      6.56169145
    C     18.53634394     13.61241498     18.68949226      4.06998121
    H     17.86778232     14.15636160     18.02675157      0.90048587
    O     18.57689470     22.57592854     20.34801888      6.55745133
    C     18.64853706     12.20740043      7.25118444      4.06974048
    H     17.98678033     11.64239507      7.90281409      0.89786459
    O     20.18615510     22.58466230     18.74386719      6.55724133
    C      7.16883219     12.37707798     18.77180081      4.06966376
    H      7.84330399     11.82934714     18.11846080      0.89839916
    O     16.31005946     18.70910121     18.75551521      6.59784803
    C     13.38585496     18.69471748     18.75064095      3.62650934
    N     13.92379274     17.77952548     17.88059491      5.42651933
    O     16.30384970     20.32212577     20.35134128      6.55453076
    C     13.71856293      7.26982002      7.28819275      4.03483888
    H     14.32028201      7.92200627      7.91638042      0.89472382
    O     22.44249601     18.69094787     20.35920438      6.55768638
    C     12.21944053     18.70170692      7.31298491      4.06962312
    H     11.66053746     18.05279170      7.98264659      0.89810589
    O     22.44957652     20.29242158     18.74657447      6.55777900
    C     12.19647522      7.28260260     18.73163665      4.06967046
    H     11.64356539      7.95082737     18.07621966      0.89813851
    C      6.43735392      6.45850153      2.82030725      3.28925811
    C      6.45115231      6.45469868      1.32276276      4.06781741
    C      6.41186490      6.47021090     10.15502027      3.28829485
    C      6.39204030      6.47323324     11.65363786      4.06779369
    C      2.76717977      6.48542115      6.48822238      3.28855375
    C      1.26949130      6.50644244      6.50197371      4.06823460
    C     10.09191708      6.47378823      6.49657730      3.31972837
    C     11.59688646      6.45830510      6.49410288      3.88248157
    C      6.42703503      2.80104424      6.48245295      3.28922524
    C      6.43934081      1.30314296      6.48132271      4.06783196
    C      6.41967607     10.14101160      6.48454718      3.28846068
    C      6.40200534     11.63952226      6.48568618      4.06768680
    C     19.36432950     19.50177524     23.22199012      3.28863116
    C     19.34773344     19.50114468     24.71919910      4.06902351
    C     19.37802958     19.49642405     15.88604547      3.28727566
    C     19.39800375     19.49079277     14.38837818      4.06934064
    C     19.36816075     15.83312777     19.54764660      3.28729532
    C     19.38277017     14.33529284     19.54736544      4.06934323
    C     19.37667939     23.17494393     19.54519710      3.28864802
    C     19.36263107     24.67235501     19.54349621      4.06898667
    C     15.69909988     19.52044753     19.55466937      3.28016104
    C     14.20967774     19.53905119     19.56690669      4.19891923
    C     23.03995375     19.48134958     19.54527700      3.28826523
    C     24.53716070     19.45515140     19.52642255      4.06902282
    H     13.29851195     17.21229948     17.32405082      0.75836931
    H     14.93177373     17.68830001     17.79590908      0.73746803
  107
Geometry Step: 68
   Zn      7.58755273      5.32078542      5.34389702     11.21139963
   Zn      5.28595125      7.61902144      5.32618130     11.20810743
   Zn      5.27619675      5.31280400      7.63294052     11.20777180
   Zn      7.58616762      7.63087906      7.64653521     11.20731260
   Zn     18.21982537     20.65751675     20.69993685     11.20737023
   Zn     20.52435784     18.35182005     20.71653841     11.20747928
   Zn     18.24070074     18.35438165     18.40358395     11.20858642
   Zn     20.53373798     20.66373214     18.40529641     11.20724770
    O      6.43038764      6.47670086      6.49503699      6.72609946
    O     19.38248322     19.50518403     19.55412601      6.72182322
    O      7.23556573      5.65677282      3.42171804      6.55593950
    C      7.16143129     18.76525956     13.76584170      4.06940763
    H      7.81937022     18.11008313     14.33158455      0.89708985
    O      5.62933897      7.26348553      3.40685993      6.55792845
    C     18.61819958      7.19071323     13.66708854      4.06965540
    H     17.94501138      7.84590503     14.21408347      0.89801900
    O      5.61966335      5.65965886      9.55550925      6.55825839
    C     18.57499587     18.63309824     12.27483936      4.06982151
    H     17.92264479     17.97299543     11.70864951      0.89788326
    O      7.21605115      7.27761589      9.56749546      6.55799479
    C      7.24059637      7.32900242     12.37594551      4.06906910
    H      7.91270012      7.98732839     11.83110053      0.89763979
    O      3.36343051      7.27894935      5.67708606      6.55788520
    C     13.58749295      7.25882409     18.71350199      4.06963748
    H     14.14622288      7.90727235     18.04299679      0.89792757
    O      3.35641327      5.67632657      7.28870928      6.55804230
    C     13.61056953     18.67719936      7.29534325      4.06966304
    H     14.16362585     18.00815544      7.95001959      0.89793748
    O      9.48708734      5.67794227      5.70165996      6.52039685
    N     12.02535967     18.74682371     18.79238982      5.35968593
    O      9.50772863      7.29044700      7.30060509      6.55803208
    C     12.33039496      7.31982545      7.33228259      4.16092801
    H     11.80725870      8.00421047      7.99234092      0.89325088
    O      5.61540432      3.39039761      7.28225947      6.55804995
    C     18.63301054     13.59874852      7.25276647      4.06957771
    H     17.95787502     14.14624634      7.90559186      0.89807139
    O      7.22907706      3.40057970      5.68296469      6.55594871
    C      7.15255872     13.76768452     18.77329731      4.06945648
    H      7.81498729     14.33220084     18.12185713      0.89716085
    O      5.63047524      9.54150259      5.67055924      6.55821412
    C     18.55794361     12.22168887     18.69153805      4.06986128
    H     17.90692911     11.65500756     18.03040137      0.89781497
    O      7.21933897      9.55280213      7.29570676      6.55766663
    C      7.24705917     12.36138197      7.34475885      4.06903149
    H      7.91510269     11.81628530      8.00698071      0.89760633
    O     18.57055562     20.30956704     22.62024693      6.55766811
    C     18.63609555      7.18961743     12.27612205      4.06970768
    H     17.97787407      7.84435130     11.71046240      0.89785644
    O     20.16979432     18.69557504     22.63382377      6.55717804
    C      7.17912851     18.76410826     12.37478690      4.06966511
    H      7.85187693     18.10836678     11.82801140      0.89836443
    O     18.56051972     18.70225558     16.47578344      6.56127419
    C     18.55059525     18.63468754     13.66593946      4.06998152
    H     17.87922627     17.97509373     14.21034925      0.90034506
    O     20.18069582     20.29589835     16.48630593      6.55780761
    C      7.21653661      7.33029380     13.76704096      4.06938254
    H      7.86993192      7.98940668     14.33312558      0.89775420
    O     20.16832585     16.43299047     20.35059916      6.55775314
    C      7.22658351     13.75256548      7.34287000      4.06934057
    H      7.87800320     14.31868823      8.00400976      0.89770262
    O     18.55929538     16.42412691     18.74588580      6.56170131
    C     18.53708601     13.61285827     18.69003868      4.06999008
    H     17.86856852     14.15703916     18.02748490      0.90049465
    O     18.57623393     22.57529122     20.34794746      6.55740948
    C     18.64911988     12.20768249      7.25181767      4.06974976
    H     17.98722799     11.64292678      7.90346309      0.89787244
    O     20.18688982     22.58408323     18.74535308      6.55728158
    C      7.16842411     12.37655983     18.77220752      4.06964684
    H      7.84345306     11.82898975     18.11940359      0.89840056
    O     16.30970833     18.70826897     18.75424056      6.59775451
    C     13.38487772     18.69366291     18.75011793      3.62648097
    N     13.92261570     17.77887289     17.87957406      5.42648275
    O     16.30345693     20.32155742     20.34980037      6.55453688
    C     13.71889685      7.26945620      7.28812634      4.03483228
    H     14.32102320      7.92184734      7.91596869      0.89472015
    O     22.44365622     18.69160671     20.36021726      6.55765853
    C     12.21967575     18.70155734      7.31343647      4.06962515
    H     11.66105049     18.05263614      7.98343523      0.89812436
    O     22.45051687     20.29280081     18.74717690      6.55776237
    C     12.19659471      7.28312646     18.73156151      4.06967331
    H     11.64370731      7.95162930     18.07631443      0.89815988
    C      6.43707071      6.45818441      2.82022496      3.28924972
    C      6.45071047      6.45449568      1.32275303      4.06780025
    C      6.41147177      6.47064511     10.15483791      3.28828564
    C      6.39176734      6.47355735     11.65347027      4.06779937
    C      2.76657932      6.48509705      6.48762378      3.28855160
    C      1.26893028      6.50602515      6.50134137      4.06821274
    C     10.09208020      6.47422978      6.49690814      3.31970210
    C     11.59693507      6.45831677      6.49436374      3.88247227
    C      6.42651082      2.80127569      6.48202572      3.28920288
    C      6.43880820      1.30341439      6.48105467      4.06782510
    C      6.41931206     10.14055694      6.48467602      3.28847034
    C      6.40148292     11.63906819      6.48598631      4.06769265
    C     19.36451286     19.50258207     23.22170684      3.28860776
    C     19.34803794     19.50185582     24.71888575      4.06900554
    C     19.37850723     19.49659693     15.88632003      3.28727544
    C     19.39859178     19.49108268     14.38865761      4.06934438
    C     19.36920239     15.83354842     19.54784787      3.28729008
    C     19.38374927     14.33567940     19.54772029      4.06935966
    C     19.37676398     23.17440433     19.54596266      3.28863782
    C     19.36298123     24.67178070     19.54429695      4.06896638
    C     15.69868513     19.51939916     19.55360784      3.28020349
    C     14.20906002     19.53799393     19.56605795      4.19897147
    C     23.04093532     19.48195700     19.54608680      3.28828226
    C     24.53810128     19.45585686     19.52711138      4.06899997
    H     13.29757185     17.21199337     17.32253348      0.75837586
    H     14.93051159     17.68759798     17.79486685      0.73752493
  107
Geometry Step: 69
   Zn      7.58718936      5.32098532      5.34379620     11.21136780
   Zn      5.28543239      7.61883063      5.32614230     11.20810075
   Zn      5.27551713      5.31276218      7.63309241     11.20772813
   Zn      7.58650662      7.63080552      7.64644234     11.20735234
   Zn     18.21940803     20.65696600     20.69934625     11.20738520
   Zn     20.52523202     18.35215320     20.71649089     11.20749446
   Zn     18.24076400     18.35433405     18.40330166     11.20860149
   Zn     20.53436500     20.66335764     18.40571273     11.20724841
    O      6.42989437      6.47660244      6.49528562      6.72619746
    O     19.38267712     19.50489717     19.55399819      6.72182874
    O      7.23610177      5.65732783      3.42161591      6.55591752
    C      7.16093440     18.76495506     13.76539546      4.06942164
    H      7.81908703     18.10982946     14.33094626      0.89709664
    O      5.62850002      7.26253235      3.40684255      6.55796880
    C     18.61839739      7.19117649     13.66715811      4.06966329
    H     17.94488820      7.84598296     14.21422677      0.89802452
    O      5.61926569      5.66012637      9.55540728      6.55826696
    C     18.57541269     18.63325683     12.27522248      4.06981277
    H     17.92301391     17.97317180     11.70907574      0.89787734
    O      7.21584768      7.27794444      9.56730757      6.55796666
    C      7.24051247      7.32916487     12.37567725      4.06907018
    H      7.91252926      7.98772503     11.83093464      0.89764784
    O      3.36277234      7.27863416      5.67648136      6.55785756
    C     13.58756709      7.25924346     18.71311523      4.06963716
    H     14.14595455      7.90771502     18.04229554      0.89794763
    O      3.35573499      5.67618546      7.28842643      6.55807148
    C     13.61076908     18.67690398      7.29550768      4.06966522
    H     14.16362525     18.00759699      7.95012107      0.89795503
    O      9.48681677      5.67840604      5.70219453      6.52047312
    N     12.02473623     18.74614231     18.79210292      5.35971782
    O      9.50808923      7.29090411      7.30110441      6.55795944
    C     12.33061497      7.31960505      7.33251234      4.16092492
    H     11.80764710      8.00429903      7.99223071      0.89323189
    O      5.61500623      3.39055032      7.28199486      6.55806729
    C     18.63329705     13.59891121      7.25298249      4.06958789
    H     17.95775496     14.14650522      7.90528004      0.89807488
    O      7.22842200      3.40091867      5.68258249      6.55595477
    C      7.15188754     13.76720079     18.77321767      4.06946811
    H      7.81442698     14.33156739     18.12178065      0.89716857
    O      5.62985485      9.54099682      5.67112227      6.55819596
    C     18.55816949     12.22220461     18.69194473      4.06984265
    H     17.90712838     11.65578935     18.03063623      0.89781268
    O      7.21948468      9.55253834      7.29556135      6.55759910
    C      7.24669741     12.36089136      7.34496155      4.06903948
    H      7.91477602     11.81571037      8.00706072      0.89761318
    O     18.56971414     20.30928507     22.61978281      6.55767878
    C     18.63635841      7.19031484     12.27622077      4.06970556
    H     17.97784973      7.84509555     11.71095686      0.89787069
    O     20.17048608     18.69692586     22.63356768      6.55721742
    C      7.17870810     18.76401268     12.37436967      4.06965256
    H      7.85186973     18.10852791     11.82776943      0.89836998
    O     18.56038708     18.70272932     16.47573496      6.56122829
    C     18.55103280     18.63508039     13.66630360      4.06999143
    H     17.87989566     17.97529001     14.21081803      0.90034188
    O     20.18149472     20.29547546     16.48674282      6.55781441
    C      7.21647540      7.33063207     13.76674827      4.06937734
    H      7.86999797      7.98959698     14.33278712      0.89775840
    O     20.16901720     16.43350326     20.35091914      6.55770687
    C      7.22660920     13.75204510      7.34316699      4.06932831
    H      7.87799747     14.31790625      8.00447945      0.89770325
    O     18.56032121     16.42438874     18.74580650      6.56169085
    C     18.53778390     13.61335881     18.69052530      4.07000598
    H     17.86940222     14.15786349     18.02814358      0.90050063
    O     18.57558783     22.57475300     20.34795811      6.55736493
    C     18.64963314     12.20789177      7.25239090      4.06974369
    H     17.98752042     11.64351583      7.90413000      0.89787565
    O     20.18741971     22.58346598     18.74669758      6.55732549
    C      7.16804708     12.37611678     18.77251142      4.06963520
    H      7.84364758     11.82869745     18.12019646      0.89841131
    O     16.30957269     18.70753142     18.75327190      6.59768450
    C     13.38421257     18.69255582     18.74966408      3.62645477
    N     13.92166066     17.77818828     17.87857280      5.42640684
    O     16.30310112     20.32119485     20.34847349      6.55451565
    C     13.71916805      7.26922139      7.28803242      4.03481763
    H     14.32172941      7.92162188      7.91582549      0.89473768
    O     22.44474325     18.69203254     20.36098494      6.55764833
    C     12.21988068     18.70137695      7.31385780      4.06963653
    H     11.66149683     18.05246737      7.98412467      0.89813733
    O     22.45136069     20.29310769     18.74771652      6.55776218
    C     12.19666719      7.28365911     18.73143467      4.06968106
    H     11.64387385      7.95237794     18.07628568      0.89817630
    C      6.43685925      6.45796910      2.82010782      3.28923697
    C      6.45032681      6.45430109      1.32271946      4.06778290
    C      6.41117319      6.47107684     10.15465074      3.28828280
    C      6.39151353      6.47377428     11.65330551      4.06780483
    C      2.76601202      6.48484134      6.48713465      3.28853695
    C      1.26841681      6.50567074      6.50082872      4.06818439
    C     10.09214194      6.47456759      6.49728587      3.31971455
    C     11.59703139      6.45844910      6.49439214      3.88245529
    C      6.42612071      2.80146267      6.48178817      3.28917832
    C      6.43833948      1.30368292      6.48079159      4.06781388
    C      6.41899985     10.14012369      6.48489394      3.28848344
    C      6.40093599     11.63866087      6.48627293      4.06770128
    C     19.36450726     19.50323814     23.22138607      3.28858566
    C     19.34822490     19.50248792     24.71852880      4.06897909
    C     19.37893892     19.49669436     15.88655981      3.28728433
    C     19.39915931     19.49145017     14.38890578      4.06935517
    C     19.37006795     15.83398894     19.54804771      3.28729543
    C     19.38465618     14.33609023     19.54807132      4.06937985
    C     19.37669965     23.17387987     19.54659524      3.28862690
    C     19.36328804     24.67119570     19.54503721      4.06893749
    C     15.69841323     19.51837750     19.55285825      3.28025413
    C     14.20854960     19.53691764     19.56542214      4.19902856
    C     23.04183727     19.48240790     19.54672527      3.28828777
    C     24.53891551     19.45646231     19.52767767      4.06897017
    H     13.29683756     17.21155784     17.32118953      0.75837915
    H     14.92939844     17.68703193     17.79369374      0.73759828
  107
Geometry Step: 70
   Zn      7.58698631      5.32098941      5.34366885     11.21135876
   Zn      5.28524726      7.61877366      5.32600716     11.20807536
   Zn      5.27533803      5.31256326      7.63312360     11.20769181
   Zn      7.58655275      7.63073770      7.64646976     11.20736780
   Zn     18.21938830     20.65679470     20.69908361     11.20742781
   Zn     20.52552787     18.35218346     20.71647903     11.20749700
   Zn     18.24109318     18.35427509     18.40298772     11.20861739
   Zn     20.53451153     20.66320910     18.40581753     11.20725259
    O      6.42955155      6.47651742      6.49529754      6.72625272
    O     19.38285203     19.50478957     19.55392255      6.72182396
    O      7.23585344      5.65728386      3.42159693      6.55591713
    C      7.16082753     18.76497014     13.76520801      4.06942951
    H      7.81921089     18.11002387     14.33062950      0.89711837
    O      5.62849460      7.26265875      3.40657781      6.55798478
    C     18.61841028      7.19138299     13.66708715      4.06967545
    H     17.94493310      7.84626135     14.21417887      0.89802600
    O      5.61947277      5.66024972      9.55523891      6.55828442
    C     18.57541078     18.63322603     12.27544088      4.06979141
    H     17.92291430     17.97313652     11.70939937      0.89787127
    O      7.21594586      7.27817126      9.56737278      6.55793216
    C      7.24041317      7.32914808     12.37550290      4.06908059
    H      7.91236790      7.98779662     11.83080709      0.89764140
    O      3.36252260      7.27868853      5.67645312      6.55787966
    C     13.58747492      7.25937008     18.71318030      4.06964243
    H     14.14570244      7.90789747     18.04235354      0.89795779
    O      3.35554502      5.67603922      7.28821792      6.55809658
    C     13.61074615     18.67684916      7.29567340      4.06965781
    H     14.16323722     18.00750490      7.95049268      0.89796493
    O      9.48691970      5.67788877      5.70269336      6.52048006
    N     12.02490208     18.74620432     18.79175810      5.35977512
    O      9.50800310      7.29061436      7.30157177      6.55790905
    C     12.33062993      7.31962906      7.33249739      4.16090795
    H     11.80768703      8.00463936      7.99193659      0.89323400
    O      5.61496453      3.39050080      7.28212992      6.55805770
    C     18.63345485     13.59889184      7.25302282      4.06961824
    H     17.95783749     14.14664591      7.90512498      0.89807873
    O      7.22833824      3.40100909      5.68277168      6.55596254
    C      7.15165201     13.76711734     18.77323537      4.06946444
    H      7.81429044     14.33141324     18.12184296      0.89716799
    O      5.62998893      9.54067166      5.67136206      6.55819097
    C     18.55809254     12.22250714     18.69199654      4.06981166
    H     17.90709139     11.65637423     18.03042816      0.89781591
    O      7.21940220      9.55256757      7.29597062      6.55758684
    C      7.24652495     12.36084382      7.34488278      4.06905450
    H      7.91463629     11.81568657      8.00689690      0.89761848
    O     18.56939800     20.30917883     22.61953787      6.55764881
    C     18.63638013      7.19046451     12.27615363      4.06969699
    H     17.97769277      7.84533010     11.71122497      0.89788711
    O     20.17030880     18.69699391     22.63352150      6.55725530
    C      7.17863317     18.76391771     12.37418286      4.06964521
    H      7.85199332     18.10834025     11.82782204      0.89837581
    O     18.56056811     18.70235202     16.47549880      6.56119861
    C     18.55119052     18.63532414     13.66650768      4.07001389
    H     17.88018686     17.97555234     14.21120226      0.90033391
    O     20.18143903     20.29534594     16.48698396      6.55780033
    C      7.21652951      7.33085153     13.76654430      4.06936493
    H      7.87013824      7.98976142     14.33250062      0.89775641
    O     20.16899574     16.43386513     20.35094443      6.55766653
    C      7.22672218     13.75196902      7.34316309      4.06931986
    H      7.87810011     14.31767065      8.00455649      0.89769875
    O     18.56021142     16.42447484     18.74592575      6.56165217
    C     18.53803496     13.61365787     18.69066073      4.07003262
    H     17.86989977     14.15846630     18.02833608      0.90049795
    O     18.57540271     22.57469971     20.34810387      6.55734430
    C     18.64981037     12.20789494      7.25242402      4.06972370
    H     17.98749005     11.64386773      7.90427956      0.89787027
    O     20.18728043     22.58313643     18.74697195      6.55735126
    C      7.16788033     12.37604624     18.77249441      4.06963671
    H      7.84374832     11.82878680     18.12028158      0.89842856
    O     16.30994799     18.70736325     18.75359015      6.59770323
    C     13.38438361     18.69213071     18.74954503      3.62643280
    N     13.92156889     17.77788886     17.87819907      5.42630603
    O     16.30299979     20.32146218     20.34839204      6.55447061
    C     13.71923787      7.26918061      7.28802549      4.03481439
    H     14.32205553      7.92134384      7.91609014      0.89475780
    O     22.44509713     18.69178610     20.36088701      6.55766800
    C     12.21989381     18.70131683      7.31386709      4.06965755
    H     11.66153105     18.05245314      7.98415180      0.89813810
    O     22.45156106     20.29314812     18.74786327      6.55777384
    C     12.19660969      7.28379113     18.73133726      4.06968804
    H     11.64401590      7.95254895     18.07610040      0.89817757
    C      6.43685567      6.45805619      2.81992017      3.28922494
    C      6.45027041      6.45429887      1.32257840      4.06777053
    C      6.41125726      6.47121891     10.15459739      3.28828921
    C      6.39141616      6.47362307     11.65326564      4.06779780
    C      2.76580079      6.48484993      6.48710687      3.28851358
    C      1.26824556      6.50563892      6.50086690      4.06816004
    C     10.09208385      6.47445952      6.49750572      3.31975598
    C     11.59716152      6.45877236      6.49397577      3.88245172
    C      6.42619509      2.80144075      6.48203824      3.28916687
    C      6.43826919      1.30376066      6.48074146      4.06779610
    C      6.41895526     10.14000527      6.48514152      3.28848877
    C      6.40062010     11.63860143      6.48632204      4.06770459
    C     19.36417988     19.50321938     23.22124835      3.28858077
    C     19.34808654     19.50252241     24.71838300      4.06894624
    C     19.37904769     19.49660743     15.88657291      3.28730118
    C     19.39937971     19.49176660     14.38894944      4.06936420
    C     19.37007673     15.83423121     19.54815118      3.28731236
    C     19.38491121     14.33633746     19.54822627      4.06938800
    C     19.37644907     23.17372212     19.54661211      3.28862517
    C     19.36334060     24.67098452     19.54515667      4.06890545
    C     15.69855972     19.51799994     19.55321263      3.28027933
    C     14.20853996     19.53640044     19.56556066      4.19905267
    C     23.04209085     19.48231408     19.54668591      3.28827777
    C     24.53906231     19.45650985     19.52765105      4.06894580
    H     13.29685618     17.21106544     17.32099971      0.75838797
    H     14.92915041     17.68700459     17.79278621      0.73767394
  107
Geometry Step: 71
   Zn      7.58679935      5.32099921      5.34355273     11.21138285
   Zn      5.28504448      7.61865499      5.32589656     11.20804409
   Zn      5.27521023      5.31239985      7.63309354     11.20765391
   Zn      7.58648858      7.63059394      7.64651427     11.20739728
   Zn     18.21936935     20.65661996     20.69882843     11.20749162
   Zn     20.52586792     18.35221304     20.71647268     11.20749321
   Zn     18.24154978     18.35417487     18.40258005     11.20862828
   Zn     20.53467823     20.66306332     18.40589489     11.20725495
    O      6.42918737      6.47646690      6.49524234      6.72627232
    O     19.38307549     19.50463863     19.55384064      6.72183323
    O      7.23550754      5.65715819      3.42161922      6.55590406
    C      7.16069488     18.76498087     13.76498691      4.06943748
    H      7.81936008     18.11032651     14.33027684      0.89714688
    O      5.62850306      7.26294638      3.40624107      6.55798668
    C     18.61840875      7.19159776     13.66701135      4.06968472
    H     17.94499483      7.84662108     14.21414721      0.89803438
    O      5.61975714      5.66040344      9.55498318      6.55830683
    C     18.57538788     18.63318392     12.27568637      4.06976978
    H     17.92275077     17.97309309     11.70978480      0.89786129
    O      7.21609477      7.27841789      9.56749077      6.55788254
    C      7.24021385      7.32918960     12.37530509      4.06908854
    H      7.91215636      7.98779243     11.83062284      0.89762897
    O      3.36229639      7.27872972      5.67650835      6.55790686
    C     13.58732260      7.25954613     18.71326477      4.06965001
    H     14.14544660      7.90804443     18.04253339      0.89795580
    O      3.35543676      5.67590758      7.28792493      6.55813096
    C     13.61068596     18.67672818      7.29587801      4.06964837
    H     14.16278858     18.00748231      7.95094950      0.89796169
    O      9.48715417      5.67704244      5.70328230      6.52044781
    N     12.02518265     18.74639766     18.79129513      5.35980201
    O      9.50777024      7.29012947      7.30221144      6.55781926
    C     12.33067901      7.31978499      7.33237223      4.16090763
    H     11.80767953      8.00505649      7.99175798      0.89325040
    O      5.61488790      3.39044555      7.28236330      6.55803787
    C     18.63361922     13.59887979      7.25304668      4.06965804
    H     17.95795251     14.14685809      7.90499421      0.89809048
    O      7.22831014      3.40105893      5.68303450      6.55595982
    C      7.15143020     13.76704319     18.77326762      4.06944896
    H      7.81416030     14.33127868     18.12191983      0.89716246
    O      5.63022491      9.54030198      5.67161843      6.55820108
    C     18.55802957     12.22289856     18.69200295      4.06977309
    H     17.90700609     11.65708732     18.03017090      0.89782137
    O      7.21927898      9.55259879      7.29648918      6.55759770
    C      7.24634417     12.36079380      7.34477153      4.06907353
    H      7.91446931     11.81566298      8.00669666      0.89762021
    O     18.56900424     20.30907325     22.61927933      6.55758043
    C     18.63641614      7.19067177     12.27606386      4.06969061
    H     17.97751449      7.84556814     11.71147742      0.89790473
    O     20.17010546     18.69696375     22.63350293      6.55728367
    C      7.17857971     18.76384367     12.37394478      4.06963497
    H      7.85214890     18.10811106     11.82781259      0.89838746
    O     18.56084508     18.70182978     16.47519408      6.56116572
    C     18.55144358     18.63554002     13.66674237      4.07003713
    H     17.88050049     17.97593644     14.21166991      0.90032083
    O     20.18133698     20.29519891     16.48729225      6.55777209
    C      7.21661198      7.33112185     13.76631908      4.06935550
    H      7.87033367      7.98998216     14.33218382      0.89774966
    O     20.16893033     16.43428815     20.35093589      6.55762819
    C      7.22683572     13.75189329      7.34317060      4.06931240
    H      7.87827344     14.31745098      8.00460911      0.89769318
    O     18.56000589     16.42455523     18.74609680      6.56160466
    C     18.53829792     13.61405233     18.69078314      4.07006570
    H     17.87046017     14.15920757     18.02849657      0.90048603
    O     18.57517922     22.57472282     20.34830075      6.55731668
    C     18.64996300     12.20789109      7.25243625      4.06969456
    H     17.98742172     11.64422876      7.90444247      0.89785864
    O     20.18712379     22.58278798     18.74717325      6.55736862
    C      7.16771707     12.37596800     18.77246617      4.06964389
    H      7.84386013     11.82883427     18.12029630      0.89845449
    O     16.31035631     18.70711377     18.75415814      6.59778113
    C     13.38469419     18.69178032     18.74943286      3.62641791
    N     13.92157683     17.77746559     17.87788067      5.42623992
    O     16.30288617     20.32173524     20.34843082      6.55442971
    C     13.71936005      7.26914138      7.28794915      4.03481870
    H     14.32233273      7.92090505      7.91637956      0.89477835
    O     22.44541142     18.69148274     20.36065112      6.55768671
    C     12.21990544     18.70120534      7.31388832      4.06968344
    H     11.66150120     18.05248339      7.98411195      0.89812491
    O     22.45168891     20.29313555     18.74804389      6.55779258
    C     12.19652794      7.28400078     18.73122051      4.06969486
    H     11.64414549      7.95268384     18.07586414      0.89816265
    C      6.43686142      6.45819544      2.81976372      3.28922638
    C      6.45026493      6.45431860      1.32240434      4.06776671
    C      6.41140725      6.47133219     10.15454095      3.28830077
    C      6.39132417      6.47343501     11.65321297      4.06778854
    C      2.76551948      6.48485950      6.48709674      3.28849689
    C      1.26795140      6.50563621      6.50096115      4.06814131
    C     10.09191652      6.47431128      6.49773163      3.31983681
    C     11.59733450      6.45921420      6.49335093      3.88246102
    C      6.42625122      2.80146228      6.48234794      3.28916269
    C      6.43828031      1.30386052      6.48070897      4.06778715
    C      6.41889882     10.13990344      6.48546306      3.28848967
    C      6.40026648     11.63855907      6.48635618      4.06770529
    C     19.36373181     19.50310384     23.22104231      3.28859331
    C     19.34781449     19.50248934     24.71822637      4.06891938
    C     19.37916245     19.49652285     15.88657431      3.28732289
    C     19.39962011     19.49213304     14.38899986      4.06937353
    C     19.37003626     15.83449363     19.54827560      3.28732729
    C     19.38514280     14.33663117     19.54843772      4.06939343
    C     19.37619999     23.17351961     19.54661487      3.28863431
    C     19.36330869     24.67075735     19.54524422      4.06888090
    C     15.69870833     19.51772371     19.55360541      3.28028132
    C     14.20863365     19.53580318     19.56588954      4.19902954
    C     23.04238515     19.48217445     19.54659693      3.28827261
    C     24.53928582     19.45651025     19.52757187      4.06892587
    H     13.29684164     17.21045119     17.32088060      0.75840426
    H     14.92900119     17.68693122     17.79155967      0.73774809
  107
Geometry Step: 72
   Zn      7.58664441      5.32113315      5.34355247     11.21141476
   Zn      5.28490462      7.61851547      5.32591689     11.20803331
   Zn      5.27511359      5.31239698      7.63308930     11.20764175
   Zn      7.58648865      7.63050715      7.64652753     11.20742129
   Zn     18.21931418     20.65645603     20.69865724     11.20754358
   Zn     20.52613215     18.35226695     20.71645789     11.20749632
   Zn     18.24179985     18.35406508     18.40228872     11.20863318
   Zn     20.53483686     20.66291893     18.40593920     11.20726175
    O      6.42897505      6.47652423      6.49528069      6.72625212
    O     19.38319732     19.50446882     19.55376278      6.72185307
    O      7.23532574      5.65710643      3.42166472      6.55587903
    C      7.16058256     18.76494931     13.76475069      4.06943827
    H      7.81944103     18.11051937     14.32998304      0.89717402
    O      5.62845525      7.26311767      3.40606311      6.55798272
    C     18.61842857      7.19181627     13.66699422      4.06968765
    H     17.94499740      7.84687460     14.21411300      0.89803947
    O      5.61987443      5.66047896      9.55479626      6.55830065
    C     18.57546584     18.63322161     12.27586672      4.06975537
    H     17.92271410     17.97311023     11.71005917      0.89786337
    O      7.21609367      7.27857260      9.56749796      6.55784884
    C      7.24002824      7.32930781     12.37514812      4.06909003
    H      7.91202816      7.98775781     11.83042825      0.89762206
    O      3.36218850      7.27871811      5.67658653      6.55790956
    C     13.58721926      7.25977565     18.71328348      4.06964747
    H     14.14531511      7.90819272     18.04259631      0.89795423
    O      3.35537825      5.67581823      7.28772103      6.55814383
    C     13.61064688     18.67659349      7.29605665      4.06964130
    H     14.16258640     18.00746888      7.95127887      0.89795649
    O      9.48720727      5.67658191      5.70371979      6.52042090
    N     12.02529331     18.74632141     18.79106775      5.35980544
    O      9.50772830      7.28987496      7.30265469      6.55776972
    C     12.33079061      7.31988906      7.33220547      4.16089998
    H     11.80764092      8.00537738      7.99156093      0.89327571
    O      5.61481043      3.39043565      7.28260400      6.55802306
    C     18.63370817     13.59892683      7.25308626      4.06968149
    H     17.95798065     14.14700852      7.90492785      0.89809560
    O      7.22827160      3.40117052      5.68320388      6.55594729
    C      7.15129111     13.76691096     18.77325962      4.06943435
    H      7.81405053     14.33111793     18.12191071      0.89716825
    O      5.63030697      9.54004056      5.67182748      6.55820835
    C     18.55809299     12.22324517     18.69204451      4.06974839
    H     17.90698460     11.65761747     18.03007443      0.89783417
    O      7.21915546      9.55257925      7.29682622      6.55761182
    C      7.24622190     12.36067546      7.34472544      4.06908365
    H      7.91435377     11.81552043      8.00658645      0.89761911
    O     18.56866660     20.30897724     22.61908691      6.55751317
    C     18.63646376      7.19092156     12.27603060      4.06968554
    H     17.97739151      7.84574215     11.71157864      0.89792123
    O     20.17002168     18.69698479     22.63346157      6.55729037
    C      7.17852192     18.76378703     12.37369164      4.06963333
    H      7.85221704     18.10798760     11.82768521      0.89839128
    O     18.56108056     18.70150775     16.47501841      6.56114129
    C     18.55170073     18.63565670     13.66692174      4.07005067
    H     17.88072177     17.97625125     14.21200413      0.90031117
    O     20.18133896     20.29508811     16.48756077      6.55773523
    C      7.21662737      7.33131227     13.76615960      4.06934711
    H      7.87047957      7.99015695     14.33196420      0.89775574
    O     20.16895825     16.43459711     20.35094924      6.55759926
    C      7.22686810     13.75177611      7.34319942      4.06930516
    H      7.87841463     14.31726453      8.00466542      0.89769823
    O     18.55996969     16.42462906     18.74620727      6.56157496
    C     18.53852779     13.61441310     18.69087632      4.07008624
    H     17.87085275     14.15978260     18.02859871      0.90047399
    O     18.57493430     22.57469368     20.34842517      6.55728241
    C     18.65004692     12.20792962      7.25252480      4.06967678
    H     17.98739678     11.64442857      7.90461467      0.89785679
    O     20.18703514     22.58252097     18.74731918      6.55737739
    C      7.16762727     12.37581613     18.77247463      4.06965388
    H      7.84394696     11.82873847     18.12034198      0.89846764
    O     16.31048545     18.70680121     18.75446196      6.59783873
    C     13.38484404     18.69157318     18.74935953      3.62642220
    N     13.92163006     17.77722186     17.87763163      5.42626395
    O     16.30281704     20.32177330     20.34832147      6.55443105
    C     13.71949550      7.26903518      7.28788634      4.03482404
    H     14.32239909      7.92046318      7.91654150      0.89477492
    O     22.44559523     18.69128627     20.36045553      6.55768280
    C     12.21991853     18.70105012      7.31395312      4.06969161
    H     11.66147889     18.05245757      7.98416263      0.89811597
    O     22.45175633     20.29310887     18.74818559      6.55779324
    C     12.19647436      7.28423299     18.73110714      4.06969618
    H     11.64418053      7.95282386     18.07565503      0.89815129
    C      6.43683325      6.45826467      2.81973161      3.28923982
    C      6.45029705      6.45434883      1.32228568      4.06777948
    C      6.41145401      6.47138701     10.15444746      3.28830607
    C      6.39125333      6.47341717     11.65310053      4.06778198
    C      2.76530616      6.48482070      6.48706753      3.28849982
    C      1.26767090      6.50560913      6.50095950      4.06813948
    C     10.09183258      6.47426505      6.49786809      3.31988033
    C     11.59744537      6.45941999      6.49302757      3.88248085
    C      6.42619999      2.80158144      6.48250254      3.28917086
    C      6.43831509      1.30396170      6.48066677      4.06779535
    C      6.41878669     10.13979953      6.48571504      3.28848297
    C      6.40004229     11.63846744      6.48639461      4.06770506
    C     19.36342813     19.50304276     23.22083520      3.28861099
    C     19.34757942     19.50249845     24.71809004      4.06891480
    C     19.37928624     19.49649383     15.88663184      3.28733479
    C     19.39981221     19.49234828     14.38910836      4.06938006
    C     19.37008615     15.83470710     19.54838112      3.28733173
    C     19.38531801     14.33689978     19.54863132      4.06939344
    C     19.37608145     23.17328699     19.54671697      3.28864784
    C     19.36324269     24.67055388     19.54536512      4.06888030
    C     15.69873148     19.51756608     19.55363972      3.28025523
    C     14.20873199     19.53533889     19.56612288      4.19897359
    C     23.04260766     19.48211412     19.54657375      3.28828191
    C     24.53952058     19.45656496     19.52759318      4.06892159
    H     13.29680888     17.21013254     17.32074503      0.75841417
    H     14.92903387     17.68686876     17.79070668      0.73776991
  107
Geometry Step: 73
   Zn      7.58635571      5.32143537      5.34361939     11.21144633
   Zn      5.28470953      7.61825365      5.32601991     11.20803062
   Zn      5.27493651      5.31246476      7.63310583     11.20764132
   Zn      7.58654755      7.63037975      7.64648179     11.20744497
   Zn     18.21911444     20.65617603     20.69842875     11.20760088
   Zn     20.52649411     18.35242283     20.71642332     11.20750878
   Zn     18.24203045     18.35394454     18.40197198     11.20864263
   Zn     20.53509815     20.66268899     18.40602935     11.20727410
    O      6.42874960      6.47666805      6.49541063      6.72618344
    O     19.38330487     19.50422533     19.55368917      6.72187588
    O      7.23517681      5.65710393      3.42172384      6.55584241
    C      7.16042266     18.76483529     13.76435765      4.06944049
    H      7.81955141     18.11071360     14.32951929      0.89720313
    O      5.62833255      7.26324109      3.40591171      6.55798579
    C     18.61846201      7.19219291     13.66699970      4.06968681
    H     17.94495252      7.84721641     14.21402997      0.89803894
    O      5.61992054      5.66052396      9.55459319      6.55828316
    C     18.57565013     18.63334463     12.27611437      4.06974471
    H     17.92277318     17.97318884     11.71043297      0.89787062
    O      7.21595787      7.27877034      9.56742831      6.55781781
    C      7.23977993      7.32955697     12.37491492      4.06909090
    H      7.91190091      7.98773221     11.83011451      0.89761087
    O      3.36203747      7.27866018      5.67667785      6.55789611
    C     13.58711430      7.26018509     18.71324606      4.06964492
    H     14.14518392      7.90848705     18.04257912      0.89794979
    O      3.35522977      5.67565870      7.28746718      6.55815738
    C     13.61062584     18.67637370      7.29632020      4.06963240
    H     14.16244962     18.00743730      7.95173516      0.89794762
    O      9.48712209      5.67632312      5.70426328      6.52044129
    N     12.02528417     18.74587362     18.79091594      5.35980003
    O      9.50785963      7.28977148      7.30309882      6.55774082
    C     12.33099132      7.32001591      7.33194229      4.16090972
    H     11.80765688      8.00583847      7.99111250      0.89329536
    O      5.61471511      3.39047408      7.28295274      6.55801006
    C     18.63379371     13.59903383      7.25319053      4.06970285
    H     17.95795528     14.14715031      7.90487226      0.89809757
    O      7.22816555      3.40138248      5.68337259      6.55593057
    C      7.15112647     13.76664415     18.77319569      4.06941920
    H      7.81390320     14.33080033     18.12182745      0.89717930
    O      5.63027984      9.53971352      5.67211806      6.55822761
    C     18.55829619     12.22378164     18.69214396      4.06972405
    H     17.90703320     11.65834331     18.03008760      0.89786032
    O      7.21897288      9.55253009      7.29720895      6.55763699
    C      7.24609784     12.36041420      7.34472162      4.06909631
    H      7.91421587     11.81518960      8.00651722      0.89760956
    O     18.56819664     20.30882416     22.61882779      6.55744204
    C     18.63653340      7.19138241     12.27602841      4.06968826
    H     17.97720777      7.84598927     11.71167171      0.89793578
    O     20.16998236     18.69710768     22.63336308      6.55729600
    C      7.17841833     18.76369268     12.37329113      4.06963591
    H      7.85223486     18.10787130     11.82743041      0.89838490
    O     18.56141890     18.70117064     16.47484096      6.56112043
    C     18.55209151     18.63577576     13.66717206      4.07006647
    H     17.88100658     17.97666651     14.21241313      0.90029550
    O     20.18144701     20.29496197     16.48792358      6.55768510
    C      7.21662557      7.33155488     13.76593902      4.06933957
    H      7.87065350      7.99039570     14.33165623      0.89776960
    O     20.16910026     16.43499201     20.35103487      6.55756624
    C      7.22686361     13.75152326      7.34327931      4.06929903
    H      7.87859079     14.31692626      8.00475015      0.89771513
    O     18.56007285     16.42473466     18.74634041      6.56156009
    C     18.53885785     13.61496531     18.69100824      4.07010867
    H     17.87135183     14.16054559     18.02870522      0.90045247
    O     18.57454853     22.57459384     20.34857037      6.55724459
    C     18.65012670     12.20803409      7.25275606      4.06966786
    H     17.98739083     11.64465537      7.90489336      0.89785536
    O     20.18693905     22.58212784     18.74756869      6.55739436
    C      7.16751630     12.37552935     18.77251439      4.06966659
    H      7.84403349     11.82851172     18.12048606      0.89847694
    O     16.31046579     18.70626995     18.75466646      6.59790207
    C     13.38489967     18.69121999     18.74918775      3.62643454
    N     13.92172164     17.77703901     17.87717722      5.42630189
    O     16.30269262     20.32168451     20.34798813      6.55444276
    C     13.71968624      7.26880989      7.28782615      4.03483372
    H     14.32242447      7.91977447      7.91671662      0.89475115
    O     22.44585623     18.69105702     20.36022971      6.55766189
    C     12.21994402     18.70077635      7.31410110      4.06969970
    H     11.66149910     18.05233489      7.98432919      0.89810324
    O     22.45190062     20.29310442     18.74839222      6.55778607
    C     12.19641009      7.28461741     18.73093191      4.06969201
    H     11.64419724      7.95306665     18.07532217      0.89813798
    C      6.43678678      6.45834115      2.81971255      3.28926165
    C      6.45032720      6.45443314      1.32215696      4.06779251
    C      6.41143202      6.47144474     10.15429360      3.28830867
    C      6.39114115      6.47353308     11.65290042      4.06777191
    C      2.76499863      6.48473217      6.48700408      3.28851320
    C      1.26727223      6.50553617      6.50088564      4.06814060
    C     10.09186646      6.47423388      6.49811779      3.31990503
    C     11.59759182      6.45943185      6.49289336      3.88249420
    C      6.42604786      2.80179904      6.48262745      3.28918368
    C      6.43831417      1.30413213      6.48060924      4.06780844
    C      6.41855864     10.13963714      6.48604949      3.28846771
    C      6.39977447     11.63829068      6.48648497      4.06770271
    C     19.36306604     19.50299183     23.22055492      3.28863016
    C     19.34728931     19.50254596     24.71786787      4.06891285
    C     19.37949926     19.49650030     15.88674503      3.28734262
    C     19.40010202     19.49257414     14.38930099      4.06938277
    C     19.37027482     15.83500117     19.54855017      3.28732633
    C     19.38559294     14.33729303     19.54890734      4.06938953
    C     19.37598307     23.17292755     19.54696066      3.28865996
    C     19.36317526     24.67023077     19.54559041      4.06888779
    C     15.69865753     19.51733496     19.55343398      3.28021743
    C     14.20880260     19.53463406     19.56634210      4.19891370
    C     23.04293267     19.48207712     19.54660024      3.28830267
    C     24.53988019     19.45671736     19.52770699      4.06891801
    H     13.29672588     17.20982511     17.32040779      0.75842118
    H     14.92922560     17.68687422     17.78977777      0.73775634
  107
Geometry Step: 74
   Zn      7.58603455      5.32195168      5.34377989     11.21146881
   Zn      5.28422971      7.61776026      5.32628613     11.20805332
   Zn      5.27438186      5.31278009      7.63311586     11.20764458
   Zn      7.58667942      7.63013295      7.64632708     11.20751598
   Zn     18.21847784     20.65541304     20.69782741     11.20764918
   Zn     20.52739640     18.35287946     20.71630970     11.20753569
   Zn     18.24204887     18.35379879     18.40166041     11.20865731
   Zn     20.53580821     20.66221448     18.40640587     11.20727933
    O      6.42846147      6.47680804      6.49565784      6.72607860
    O     19.38344866     19.50373933     19.55353929      6.72189133
    O      7.23580279      5.65771584      3.42181148      6.55578717
    C      7.15991650     18.76431132     13.76369891      4.06944830
    H      7.81932489     18.11044713     14.32874973      0.89721945
    O      5.62738688      7.26232955      3.40604076      6.55801557
    C     18.61857744      7.19293369     13.66715037      4.06968414
    H     17.94469286      7.84747713     14.21422569      0.89803230
    O      5.61940147      5.66101682      9.55436723      6.55826937
    C     18.57619974     18.63361765     12.27658652      4.06974466
    H     17.92322722     17.97345238     11.71097641      0.89787614
    O      7.21561557      7.27909537      9.56716836      6.55777776
    C      7.23950559      7.33012447     12.37450909      4.06909083
    H      7.91176587      7.98800629     11.82959529      0.89759850
    O      3.36150389      7.27824881      5.67621579      6.55784052
    C     13.58715632      7.26100483     18.71269157      4.06963836
    H     14.14512211      7.90910233     18.04179617      0.89794862
    O      3.35466868      5.67554252      7.28710169      6.55818856
    C     13.61080870     18.67577047      7.29668060      4.06963547
    H     14.16276805     18.00691861      7.95205214      0.89793485
    O      9.48681415      5.67685371      5.70487499      6.52050788
    N     12.02464219     18.74489919     18.79052710      5.35977761
    O      9.50823433      7.29024534      7.30362155      6.55770181
    C     12.33131597      7.32005910      7.33191249      4.16091591
    H     11.80800339      8.00599093      7.99109164      0.89328847
    O      5.61427130      3.39081664      7.28289620      6.55802420
    C     18.63389288     13.59934985      7.25356492      4.06971549
    H     17.95770368     14.14753810      7.90477927      0.89809536
    O      7.22749024      3.40180422      5.68295119      6.55592099
    C      7.15064292     13.76598106     18.77296760      4.06941399
    H      7.81343368     14.33002676     18.12152966      0.89718747
    O      5.62953053      9.53916550      5.67278794      6.55824879
    C     18.55880737     12.22463845     18.69251080      4.06971759
    H     17.90724847     11.65939455     18.03054732      0.89788131
    O      7.21906038      9.55218301      7.29705689      6.55763023
    C      7.24586210     12.35960660      7.34507658      4.06910761
    H      7.91389745     11.81412913      8.00675542      0.89758451
    O     18.56710495     20.30845043     22.61828700      6.55739411
    C     18.63676088      7.19254431     12.27617130      4.06970068
    H     17.97708342      7.84683699     11.71190406      0.89794480
    O     20.17082240     18.69854856     22.63302413      6.55732004
    C      7.17803837     18.76354627     12.37263049      4.06964151
    H      7.85214512     18.10808407     11.82671749      0.89836608
    O     18.56145596     18.70161436     16.47479564      6.56109373
    C     18.55282931     18.63594665     13.66764772      4.07007810
    H     17.88165247     17.97708047     14.21301736      0.90027196
    O     20.18241045     20.29448620     16.48851364      6.55764612
    C      7.21659350      7.33200449     13.76556026      4.06933553
    H      7.87084285      7.99075966     14.33122567      0.89778722
    O     20.16996495     16.43555878     20.35137021      6.55752124
    C      7.22681440     13.75073947      7.34377670      4.06929591
    H      7.87878311     14.31595575      8.00524540      0.89773666
    O     18.56130476     16.42496162     18.74625346      6.56158592
    C     18.53959250     13.61584129     18.69143016      4.07012582
    H     17.87219570     14.16168732     18.02919706      0.90042110
    O     18.57365692     22.57403753     20.34860421      6.55719684
    C     18.65038826     12.20833740      7.25363407      4.06967186
    H     17.98758963     11.64505763      7.90580002      0.89784824
    O     20.18750393     22.58138554     18.74891827      6.55744366
    C      7.16727470     12.37484151     18.77281831      4.06968007
    H      7.84420368     11.82774076     18.12127730      0.89847400
    O     16.30991649     18.70517237     18.75368339      6.59790125
    C     13.38427686     18.69022252     18.74852959      3.62644399
    N     13.92109185     17.77616092     17.87625056      5.42638182
    O     16.30230123     20.32100722     20.34650659      6.55446843
    C     13.71995244      7.26848593      7.28765491      4.03483701
    H     14.32268625      7.91912021      7.91657295      0.89473077
    O     22.44679634     18.69144630     20.36080909      6.55761717
    C     12.22014000     18.70026829      7.31475214      4.06969876
    H     11.66182482     18.05200020      7.98521437      0.89809612
    O     22.45263198     20.29331949     18.74899084      6.55777665
    C     12.19645395      7.28555571     18.73064880      4.06968973
    H     11.64414859      7.95394323     18.07503452      0.89812686
    C      6.43658254      6.45815953      2.81983086      3.28928461
    C      6.45003981      6.45435248      1.32221250      4.06779943
    C      6.41107815      6.47182009     10.15400814      3.28831167
    C      6.39087138      6.47405842     11.65255375      4.06776903
    C      2.76433057      6.48441623      6.48650176      3.28853851
    C      1.26653978      6.50515964      6.50031567      4.06814026
    C     10.09197948      6.47462570      6.49853172      3.31990936
    C     11.59767601      6.45946652      6.49308233      3.88250012
    C      6.42542759      2.80225547      6.48228239      3.28918672
    C      6.43792490      1.30454527      6.48035206      4.06782485
    C      6.41807517     10.13916085      6.48639534      3.28845980
    C      6.39930433     11.63775980      6.48687089      4.06770170
    C     19.36290463     19.50355754     23.22003835      3.28863776
    C     19.34721723     19.50314994     24.71734893      4.06891359
    C     19.38004567     19.49666624     15.88706898      3.28734429
    C     19.40078174     19.49283509     14.38970738      4.06938349
    C     19.37132418     15.83547405     19.54881986      3.28730921
    C     19.38649005     14.33785964     19.54938762      4.06939250
    C     19.37604302     23.17218160     19.54782411      3.28866459
    C     19.36330824     24.66948937     19.54645105      4.06889297
    C     15.69816077     19.51649894     19.55219591      3.28020664
    C     14.20841483     19.53331816     19.56580973      4.19886203
    C     23.04388229     19.48253017     19.54726551      3.28833773
    C     24.54086396     19.45740339     19.52837099      4.06890857
    H     13.29585909     17.20953938     17.31899760      0.75842010
    H     14.92871467     17.68625032     17.78833083      0.73772676
  107
Geometry Step: 75
   Zn      7.58575596      5.32244286      5.34394671     11.21145771
   Zn      5.28367174      7.61724864      5.32653519     11.20807556
   Zn      5.27380786      5.31315463      7.63307353     11.20765860
   Zn      7.58671814      7.62982373      7.64613346     11.20757210
   Zn     18.21771649     20.65470899     20.69731226     11.20765651
   Zn     20.52831696     18.35343160     20.71624010     11.20756316
   Zn     18.24208673     18.35373814     18.40147399     11.20867648
   Zn     20.53656369     20.66178520     18.40683810     11.20728663
    O      6.42821248      6.47694031      6.49581804      6.72595247
    O     19.38357103     19.50337589     19.55349680      6.72190191
    O      7.23636513      5.65834624      3.42186442      6.55576007
    C      7.15937133     18.76383372     13.76304190      4.06945292
    H      7.81907912     18.11020524     14.32797052      0.89723094
    O      5.62644709      7.26140738      3.40619110      6.55805255
    C     18.61878660      7.19366359     13.66731060      4.06967739
    H     17.94448620      7.84767628     14.21439892      0.89802824
    O      5.61884467      5.66144792      9.55415998      6.55825507
    C     18.57682826     18.63391554     12.27699856      4.06974755
    H     17.92373793     17.97377164     11.71150053      0.89788256
    O      7.21524764      7.27936158      9.56692679      6.55774336
    C      7.23920326      7.33066329     12.37418158      4.06908861
    H      7.91161179      7.98825005     11.82911037      0.89759117
    O      3.36085472      7.27781207      5.67567745      6.55778040
    C     13.58723896      7.26176639     18.71223109      4.06963216
    H     14.14515359      7.90969156     18.04107313      0.89795056
    O      3.35400486      5.67534703      7.28672935      6.55821130
    C     13.61100755     18.67524362      7.29696352      4.06963507
    H     14.16318320     18.00648220      7.95233045      0.89793044
    O      9.48648489      5.67741679      5.70544191      6.52061290
    N     12.02387687     18.74381030     18.79028017      5.35978118
    O      9.50864063      7.29067355      7.30398793      6.55770647
    C     12.33166841      7.32015826      7.33178875      4.16090852
    H     11.80858485      8.00609710      7.99102239      0.89326699
    O      5.61380047      3.39118948      7.28277554      6.55804429
    C     18.63406486     13.59969075      7.25390118      4.06971443
    H     17.95752354     14.14785673      7.90468812      0.89809459
    O      7.22678099      3.40222973      5.68253570      6.55592586
    C      7.15012474     13.76529589     18.77283055      4.06941184
    H      7.81291877     14.32924430     18.12131958      0.89719716
    O      5.62873981      9.53866431      5.67334012      6.55827679
    C     18.55940627     12.22546894     18.69290744      4.06971609
    H     17.90752774     11.66042205     18.03111875      0.89790615
    O      7.21907899      9.55184078      7.29684993      6.55762733
    C      7.24561320     12.35885762      7.34542326      4.06911448
    H      7.91356012     11.81312056      8.00702191      0.89756287
    O     18.56609390     20.30802017     22.61781973      6.55738818
    C     18.63702467      7.19365200     12.27634433      4.06971423
    H     17.97701257      7.84762669     11.71212765      0.89795215
    O     20.17171457     18.70001022     22.63272694      6.55733992
    C      7.17754792     18.76342018     12.37199211      4.06964845
    H      7.85196114     18.10841627     11.82599417      0.89834827
    O     18.56156376     18.70213048     16.47479895      6.56107450
    C     18.55359967     18.63613987     13.66806084      4.07008434
    H     17.88227756     17.97751864     14.21353055      0.90025550
    O     20.18343136     20.29410707     16.48906124      6.55761920
    C      7.21648419      7.33242437     13.76526231      4.06933267
    H      7.87094643      7.99108595     14.33084876      0.89780220
    O     20.17089379     16.43610896     20.35177460      6.55749261
    C      7.22667565     13.75000344      7.34424572      4.06929487
    H      7.87890921     14.31502239      8.00564091      0.89776005
    O     18.56256896     16.42520158     18.74623025      6.56161630
    C     18.54032855     13.61667355     18.69186255      4.07013642
    H     17.87300076     14.16271057     18.02964874      0.90039486
    O     18.57289189     22.57347055     20.34859307      6.55718034
    C     18.65069614     12.20869324      7.25441812      4.06968244
    H     17.98788294     11.64544164      7.90657838      0.89784658
    O     20.18814336     22.58072692     18.75026188      6.55748990
    C      7.16694975     12.37415938     18.77317313      4.06968635
    H      7.84424387     11.82698794     18.12211991      0.89846899
    O     16.30932079     18.70394651     18.75268092      6.59789033
    C     13.38352111     18.68916242     18.74781328      3.62643504
    N     13.92039326     17.77538748     17.87523345      5.42643970
    O     16.30185305     20.32024789     20.34501607      6.55447323
    C     13.72022973      7.26812408      7.28743810      4.03485914
    H     14.32309481      7.91840464      7.91635331      0.89470955
    O     22.44781059     18.69187791     20.36145949      6.55756424
    C     12.22031727     18.69981567      7.31531252      4.06969331
    H     11.66212604     18.05167599      7.98605411      0.89809495
    O     22.45346955     20.29362429     18.74959490      6.55775924
    C     12.19650393      7.28640923     18.73045175      4.06967940
    H     11.64407465      7.95474323     18.07477905      0.89812613
    C      6.43633495      6.45799050      2.81990642      3.28929036
    C      6.44971895      6.45431286      1.32225992      4.06779974
    C      6.41068137      6.47214648     10.15374814      3.28831861
    C      6.39055362      6.47459632     11.65225597      4.06776810
    C      2.76362310      6.48405776      6.48597550      3.28856533
    C      1.26579732      6.50473791      6.49974705      4.06813957
    C     10.09220441      6.47490016      6.49896196      3.31988150
    C     11.59776288      6.45939795      6.49343769      3.88248000
    C      6.42477656      2.80268019      6.48192575      3.28918348
    C      6.43748736      1.30494067      6.48014959      4.06783478
    C      6.41755923     10.13869840      6.48665501      3.28845022
    C      6.39884910     11.63726688      6.48722834      4.06770439
    C     19.36281543     19.50409267     23.21962095      3.28862533
    C     19.34717899     19.50372103     24.71687777      4.06891507
    C     19.38065643     19.49687641     15.88739659      3.28734275
    C     19.40151127     19.49307162     14.39008793      4.06938193
    C     19.37240095     15.83595176     19.54915821      3.28729152
    C     19.38737565     14.33841046     19.54988323      4.06939494
    C     19.37618597     23.17151482     19.54867295      3.28865144
    C     19.36348994     24.66880156     19.54726231      4.06889971
    C     15.69762583     19.51554958     19.55097168      3.28020859
    C     14.20791626     19.53198634     19.56508603      4.19884795
    C     23.04485804     19.48302890     19.54796061      3.28837353
    C     24.54186163     19.45813188     19.52904406      4.06889804
    H     13.29490658     17.20932392     17.31760380      0.75841913
    H     14.92816061     17.68568162     17.78694446      0.73768098
  107
Geometry Step: 76
   Zn      7.58584842      5.32242097      5.34396700     11.21143010
   Zn      5.28353623      7.61712506      5.32659976     11.20808705
   Zn      5.27383562      5.31336101      7.63292921     11.20769211
   Zn      7.58649615      7.62965742      7.64608194     11.20756503
   Zn     18.21738411     20.65476798     20.69748313     11.20761221
   Zn     20.52836978     18.35358224     20.71627788     11.20757321
   Zn     18.24214314     18.35378351     18.40158759     11.20868113
   Zn     20.53666032     20.66181532     18.40687587     11.20729385
    O      6.42830920      6.47695899      6.49563347      6.72587030
    O     19.38348395     19.50351660     19.55365853      6.72192871
    O      7.23627900      5.65838459      3.42189432      6.55578043
    C      7.15937238     18.76381674     13.76296208      4.06944816
    H      7.81917780     18.11022476     14.32782596      0.89722646
    O      5.62647083      7.26149314      3.40627516      6.55805800
    C     18.61883651      7.19380480     13.66733096      4.06967262
    H     17.94449474      7.84776836     14.21433780      0.89802667
    O      5.61882371      5.66141590      9.55410106      6.55825260
    C     18.57691192     18.63391571     12.27697901      4.06974513
    H     17.92372037     17.97380852     11.71157329      0.89789120
    O      7.21523761      7.27931714      9.56696345      6.55773757
    C      7.23911576      7.33077319     12.37420594      4.06909042
    H      7.91159837      7.98820002     11.82899125      0.89758967
    O      3.36071106      7.27778691      5.67563346      6.55776270
    C     13.58725745      7.26185890     18.71229890      4.06963189
    H     14.14532129      7.90978092     18.04115161      0.89795034
    O      3.35392570      5.67522997      7.28668402      6.55819480
    C     13.61101046     18.67521436      7.29698239      4.06963266
    H     14.16335765     18.00660409      7.95246225      0.89793309
    O      9.48654912      5.67736579      5.70537768      6.52066313
    N     12.02382412     18.74362567     18.79033834      5.35979371
    O      9.50862440      7.29053567      7.30376096      6.55777993
    C     12.33167339      7.32042183      7.33158671      4.16090196
    H     11.80884410      8.00609052      7.99110053      0.89324560
    O      5.61379372      3.39132483      7.28275337      6.55805439
    C     18.63403794     13.59976258      7.25395956      4.06970124
    H     17.95754213     14.14777003      7.90487414      0.89809183
    O      7.22675383      3.40223611      5.68253418      6.55593334
    C      7.15019626     13.76521660     18.77287452      4.06941566
    H      7.81299594     14.32911319     18.12132280      0.89719590
    O      5.62869531      9.53870121      5.67322971      6.55830251
    C     18.55955766     12.22558869     18.69285948      4.06972731
    H     17.90752744     11.66056135     18.03126709      0.89791626
    O      7.21898854      9.55181381      7.29681931      6.55765376
    C      7.24567146     12.35880599      7.34549624      4.06911020
    H      7.91357521     11.81301512      8.00716332      0.89755752
    O     18.56609294     20.30788486     22.61786285      6.55741932
    C     18.63697836      7.19376021     12.27639037      4.06972191
    H     17.97694018      7.84765775     11.71211320      0.89794533
    O     20.17179593     18.70000302     22.63275206      6.55733035
    C      7.17744116     18.76338167     12.37194248      4.06965976
    H      7.85184361     18.10851571     11.82586854      0.89833972
    O     18.56173954     18.70214318     16.47482974      6.56108923
    C     18.55373127     18.63608089     13.66803534      4.07008226
    H     17.88221485     17.97761495     14.21348019      0.90025912
    O     20.18352265     20.29422370     16.48904198      6.55762003
    C      7.21645430      7.33248885     13.76529621      4.06932581
    H      7.87095674      7.99117222     14.33082971      0.89780447
    O     20.17100824     16.43609384     20.35186881      6.55751515
    C      7.22660753     13.74995013      7.34432558      4.06930336
    H      7.87899420     14.31494140      8.00556524      0.89776496
    O     18.56261855     16.42519608     18.74633155      6.56162849
    C     18.54032072     13.61677830     18.69179667      4.07012716
    H     17.87292521     14.16268356     18.02945859      0.90038951
    O     18.57299612     22.57344506     20.34857136      6.55722500
    C     18.65059202     12.20878015      7.25442501      4.06970043
    H     17.98784583     11.64544302      7.90655242      0.89784759
    O     20.18821543     22.58079216     18.75023593      6.55749161
    C      7.16691726     12.37409483     18.77318779      4.06968710
    H      7.84407868     11.82688460     18.12209280      0.89845775
    O     16.30923648     18.70367174     18.75275540      6.59788159
    C     13.38344554     18.68905225     18.74766636      3.62643406
    N     13.92049170     17.77536205     17.87516946      5.42646959
    O     16.30169779     20.32007674     20.34506100      6.55446226
    C     13.72017381      7.26815687      7.28731047      4.03487782
    H     14.32317176      7.91815437      7.91638427      0.89471467
    O     22.44787443     18.69184584     20.36144263      6.55753910
    C     12.22028292     18.69973613      7.31528814      4.06968436
    H     11.66205948     18.05156289      7.98607555      0.89809768
    O     22.45356581     20.29371287     18.74959731      6.55773960
    C     12.19648389      7.28646189     18.73046724      4.06966729
    H     11.64400295      7.95470848     18.07463999      0.89812988
    C      6.43629626      6.45806031      2.81994173      3.28927717
    C      6.44969368      6.45440978      1.32233073      4.06778996
    C      6.41064708      6.47209792     10.15375151      3.28832925
    C      6.39047296      6.47468730     11.65226531      4.06776767
    C      2.76356129      6.48400284      6.48597327      3.28857964
    C      1.26576861      6.50470132      6.49979736      4.06814436
    C     10.09236363      6.47469850      6.49898356      3.31983663
    C     11.59776769      6.45929240      6.49365330      3.88244480
    C      6.42470073      2.80272358      6.48190001      3.28918324
    C      6.43743305      1.30498419      6.48026443      4.06782611
    C      6.41748893     10.13869896      6.48661058      3.28844350
    C      6.39889628     11.63728423      6.48725258      4.06770569
    C     19.36281205     19.50397003     23.21966085      3.28860801
    C     19.34709904     19.50364964     24.71681828      4.06891395
    C     19.38077932     19.49692784     15.88740512      3.28733773
    C     19.40163817     19.49301851     14.39008644      4.06937502
    C     19.37245800     15.83596441     19.54927728      3.28728606
    C     19.38734072     14.33843962     19.54992589      4.06938736
    C     19.37630107     23.17154634     19.54870715      3.28863175
    C     19.36349108     24.66879659     19.54720421      4.06890163
    C     15.69753433     19.51544300     19.55088221      3.28021562
    C     14.20782521     19.53191782     19.56483930      4.19886630
    C     23.04487405     19.48304722     19.54795698      3.28838207
    C     24.54185661     19.45817515     19.52902952      4.06889589
    H     13.29479586     17.20944901     17.31764714      0.75840761
    H     14.92835495     17.68580481     17.78692139      0.73762729
  107
Geometry Step: 77
   Zn      7.58610970      5.32224559      5.34394586     11.21137752
   Zn      5.28314482      7.61693988      5.32663974     11.20810319
   Zn      5.27384685      5.31373822      7.63260882     11.20775194
   Zn      7.58598345      7.62926434      7.64595805     11.20757104
   Zn     18.21663148     20.65494636     20.69777367     11.20752804
   Zn     20.52853718     18.35394645     20.71637118     11.20760235
   Zn     18.24245253     18.35394000     18.40181971     11.20869767
   Zn     20.53684953     20.66187379     18.40705678     11.20732203
    O      6.42841732      6.47689046      6.49515223      6.72574844
    O     19.38332690     19.50392417     19.55404878      6.72196322
    O      7.23601425      5.65843867      3.42191180      6.55584634
    C      7.15939414     18.76385075     13.76281543      4.06943493
    H      7.81945985     18.11030298     14.32746489      0.89721766
    O      5.62653182      7.26177286      3.40643321      6.55805320
    C     18.61897864      7.19416722     13.66734952      4.06967327
    H     17.94454911      7.84806357     14.21421375      0.89803313
    O      5.61887425      5.66139522      9.55393136      6.55825839
    C     18.57708846     18.63385433     12.27695401      4.06973675
    H     17.92360732     17.97387199     11.71183634      0.89790253
    O      7.21530523      7.27926725      9.56707266      6.55771483
    C      7.23895787      7.33090997     12.37423837      4.06909681
    H      7.91147847      7.98813654     11.82873798      0.89758640
    O      3.36028201      7.27775086      5.67549295      6.55773725
    C     13.58729318      7.26205111     18.71249227      4.06963861
    H     14.14562461      7.91001012     18.04140084      0.89794765
    O      3.35371154      5.67491498      7.28651969      6.55815478
    C     13.61102824     18.67519142      7.29707466      4.06962927
    H     14.16360521     18.00687571      7.95282724      0.89794190
    O      9.48674782      5.67697847      5.70527770      6.52071105
    N     12.02375720     18.74322470     18.79043740      5.35986195
    O      9.50846438      7.29012310      7.30339644      6.55788677
    C     12.33166607      7.32100012      7.33116155      4.16085883
    H     11.80945842      8.00618388      7.99129420      0.89321142
    O      5.61376454      3.39160202      7.28267151      6.55806638
    C     18.63406622     13.59988573      7.25409640      4.06967603
    H     17.95762204     14.14760130      7.90526522      0.89808920
    O      7.22669085      3.40224560      5.68255049      6.55594879
    C      7.15026130     13.76506689     18.77303571      4.06942284
    H      7.81313384     14.32880888     18.12141027      0.89719835
    O      5.62865926      9.53871345      5.67300098      6.55834791
    C     18.55980446     12.22583760     18.69278205      4.06973939
    H     17.90747572     11.66098796     18.03148104      0.89793120
    O      7.21876483      9.55172184      7.29684199      6.55769015
    C      7.24571296     12.35873790      7.34562534      4.06910744
    H      7.91353973     11.81288843      8.00741495      0.89755296
    O     18.56601949     20.30755192     22.61788850      6.55748624
    C     18.63681146      7.19391679     12.27645086      4.06972294
    H     17.97672600      7.84781382     11.71219615      0.89793539
    O     20.17193726     18.69994807     22.63275408      6.55729661
    C      7.17713169     18.76323282     12.37184687      4.06968670
    H      7.85162657     18.10867872     11.82565958      0.89833416
    O     18.56218139     18.70209522     16.47487735      6.56111651
    C     18.55398005     18.63608111     13.66799780      4.07008455
    H     17.88217480     17.97786623     14.21344775      0.90026913
    O     20.18368987     20.29449519     16.48901682      6.55763423
    C      7.21637429      7.33269922     13.76533874      4.06931235
    H      7.87098547      7.99137341     14.33069743      0.89780000
    O     20.17122877     16.43613935     20.35210159      6.55756391
    C      7.22650560     13.74985967      7.34446366      4.06931248
    H      7.87919887     14.31472326      8.00540340      0.89776648
    O     18.56266531     16.42526766     18.74663433      6.56163108
    C     18.54037753     13.61698558     18.69170216      4.07012164
    H     17.87293280     14.16267943     18.02912649      0.90038507
    O     18.57325803     22.57333009     20.34858273      6.55730290
    C     18.65043147     12.20894684      7.25437412      4.06972163
    H     17.98773544     11.64558139      7.90649495      0.89785912
    O     20.18837906     22.58088873     18.75023272      6.55748030
    C      7.16674386     12.37399148     18.77320340      4.06968619
    H      7.84372682     11.82675405     18.12202364      0.89844046
    O     16.30931055     18.70307225     18.75306340      6.59784972
    C     13.38333460     18.68871123     18.74733628      3.62641656
    N     13.92060612     17.77524980     17.87492728      5.42646466
    O     16.30126134     20.31979474     20.34520782      6.55443222
    C     13.72010759      7.26822156      7.28708346      4.03492098
    H     14.32357036      7.91762605      7.91649701      0.89472246
    O     22.44811734     18.69173485     20.36139991      6.55749398
    C     12.22021616     18.69957806      7.31521261      4.06967491
    H     11.66192416     18.05132977      7.98606051      0.89810087
    O     22.45380739     20.29395406     18.74964209      6.55769627
    C     12.19643458      7.28653236     18.73048371      4.06964962
    H     11.64391897      7.95460965     18.07434431      0.89814047
    C      6.43616491      6.45824688      2.81998800      3.28924436
    C      6.44963257      6.45461207      1.32247477      4.06776537
    C      6.41060886      6.47205811     10.15375966      3.28835711
    C      6.39027603      6.47480903     11.65231616      4.06776415
    C      2.76338986      6.48386702      6.48595145      3.28859986
    C      1.26568702      6.50464022      6.49998206      4.06814589
    C     10.09254464      6.47422494      6.49900677      3.31978166
    C     11.59777530      6.45920485      6.49396202      3.88238763
    C      6.42459653      2.80279782      6.48191337      3.28917436
    C      6.43731532      1.30511397      6.48054681      4.06780272
    C      6.41737917     10.13865950      6.48652655      3.28843988
    C      6.39892590     11.63730306      6.48728644      4.06770588
    C     19.36279058     19.50371195     23.21968557      3.28857400
    C     19.34689732     19.50351351     24.71665155      4.06890062
    C     19.38110139     19.49699559     15.88740882      3.28733980
    C     19.40196668     19.49297003     14.39004417      4.06936356
    C     19.37254825     15.83606090     19.54957058      3.28728897
    C     19.38733495     14.33854094     19.55003200      4.06937345
    C     19.37648687     23.17157701     19.54874790      3.28859314
    C     19.36348751     24.66872271     19.54705286      4.06889374
    C     15.69741200     19.51500821     19.55088785      3.28024200
    C     14.20761973     19.53170866     19.56423781      4.19892374
    C     23.04494908     19.48308650     19.54792778      3.28839912
    C     24.54187109     19.45823404     19.52892640      4.06888861
    H     13.29469726     17.20951809     17.31765761      0.75839420
    H     14.92852853     17.68604919     17.78661817      0.73757358
  107
Geometry Step: 78
   Zn      7.58628897      5.32214149      5.34392626     11.21135128
   Zn      5.28277583      7.61681270      5.32656489     11.20809982
   Zn      5.27374809      5.31391189      7.63238451     11.20777463
   Zn      7.58565765      7.62901140      7.64589362     11.20758508
   Zn     18.21614583     20.65498036     20.69780536     11.20749713
   Zn     20.52876408     18.35425823     20.71645113     11.20762383
   Zn     18.24277402     18.35404770     18.40189886     11.20870975
   Zn     20.53703695     20.66185720     18.40728745     11.20734624
    O      6.42837624      6.47682228      6.49483732      6.72571098
    O     19.38330012     19.50416988     19.55427449      6.72196073
    O      7.23573837      5.65845452      3.42188078      6.55589736
    C      7.15938922     18.76387866     13.76265301      4.06942158
    H      7.81970790     18.11043407     14.32714750      0.89721251
    O      5.62654448      7.26203869      3.40645075      6.55803930
    C     18.61909950      7.19455958     13.66735244      4.06967902
    H     17.94460230      7.84840513     14.21417580      0.89804358
    O      5.61896258      5.66140700      9.55377573      6.55827734
    C     18.57725745     18.63384194     12.27703016      4.06972732
    H     17.92355959     17.97394067     11.71213942      0.89790796
    O      7.21535833      7.27928992      9.56715119      6.55769074
    C      7.23883524      7.33098879     12.37417806      4.06910559
    H      7.91130796      7.98812684     11.82847803      0.89757904
    O      3.35986569      7.27772411      5.67540370      6.55773553
    C     13.58728477      7.26226734     18.71262633      4.06964044
    H     14.14577487      7.91025509     18.04161831      0.89794323
    O      3.35347761      5.67463598      7.28630442      6.55813107
    C     13.61103485     18.67515153      7.29724362      4.06962530
    H     14.16366352     18.00705183      7.95321269      0.89794696
    O      9.48689150      5.67645784      5.70541513      6.52069603
    N     12.02373586     18.74283591     18.79038764      5.35989228
    O      9.50833558      7.28973824      7.30339582      6.55791023
    C     12.33174953      7.32134508      7.33082616      4.16082081
    H     11.80992665      8.00643585      7.99125322      0.89320694
    O      5.61370234      3.39174826      7.28269278      6.55806447
    C     18.63417224     13.59999507      7.25421868      4.06966842
    H     17.95771689     14.14761980      7.90546700      0.89808590
    O      7.22661290      3.40231919      5.68263827      6.55595309
    C      7.15017794     13.76493306     18.77315044      4.06942716
    H      7.81313697     14.32857359     18.12153139      0.89719551
    O      5.62864240      9.53861267      5.67293469      6.55837773
    C     18.55996054     12.22613892     18.69280391      4.06974231
    H     17.90746780     11.66149945     18.03156805      0.89793541
    O      7.21851627      9.55164994      7.29701822      6.55770943
    C      7.24563243     12.35864336      7.34568603      4.06911045
    H      7.91342139     11.81275910      8.00750042      0.89755265
    O     18.56577739     20.30725125     22.61781895      6.55751287
    C     18.63666518      7.19409049     12.27646218      4.06971762
    H     17.97653444      7.84801277     11.71226589      0.89792998
    O     20.17197445     18.69994438     22.63270952      6.55726923
    C      7.17684192     18.76305062     12.37169708      4.06970340
    H      7.85148617     18.10874870     11.82542523      0.89833828
    O     18.56261200     18.70193511     16.47486171      6.56113603
    C     18.55419924     18.63622703     13.66805990      4.07009577
    H     17.88230453     17.97817186     14.21360642      0.90026998
    O     20.18381597     20.29465503     16.48909330      6.55764762
    C      7.21630428      7.33293027     13.76527506      4.06930118
    H      7.87101690      7.99157428     14.33048845      0.89779693
    O     20.17140407     16.43632719     20.35228996      6.55758708
    C      7.22646315     13.74974965      7.34454547      4.06932042
    H      7.87935413     14.31451256      8.00530445      0.89775899
    O     18.56269848     16.42540059     18.74692478      6.56162097
    C     18.54056355     13.61726611     18.69173772      4.07012852
    H     17.87321645     14.16294657     18.02902651      0.90038136
    O     18.57334142     22.57318237     20.34865125      6.55732698
    C     18.65042153     12.20906891      7.25437510      4.06973298
    H     17.98769318     11.64574916      7.90647545      0.89786303
    O     20.18845469     22.58083621     18.75034872      6.55747003
    C      7.16652593     12.37386910     18.77322279      4.06968422
    H      7.84349071     11.82660742     18.12204944      0.89843320
    O     16.30951021     18.70253094     18.75339834      6.59783635
    C     13.38328072     18.68836573     18.74704435      3.62640071
    N     13.92060878     17.77506865     17.87454879      5.42645180
    O     16.30089386     20.31964996     20.34520962      6.55441548
    C     13.72018009      7.26814834      7.28698991      4.03494837
    H     14.32398161      7.91717781      7.91665144      0.89472681
    O     22.44842576     18.69158028     20.36129798      6.55747526
    C     12.22019618     18.69942843      7.31520070      4.06967178
    H     11.66180759     18.05117592      7.98603232      0.89809907
    O     22.45404179     20.29413630     18.74975229      6.55766787
    C     12.19639964      7.28664207     18.73043938      4.06963993
    H     11.64389044      7.95457618     18.07411071      0.89814537
    C      6.43602947      6.45840299      2.81996803      3.28922332
    C      6.44958913      6.45477308      1.32248690      4.06775725
    C      6.41057215      6.47209353     10.15374746      3.28837144
    C      6.39009299      6.47487766     11.65233237      4.06776094
    C      2.76313757      6.48373591      6.48590330      3.28860770
    C      1.26547570      6.50458320      6.50011502      4.06814884
    C     10.09255871      6.47387672      6.49908702      3.31977952
    C     11.59782770      6.45920823      6.49397609      3.88237089
    C      6.42453236      2.80287534      6.48200315      3.28916890
    C      6.43721844      1.30524053      6.48073631      4.06778690
    C      6.41726291     10.13858259      6.48654809      3.28843494
    C      6.39883361     11.63726542      6.48731155      4.06770540
    C     19.36267741     19.50356504     23.21961365      3.28856141
    C     19.34669531     19.50346165     24.71651421      4.06889847
    C     19.38142878     19.49699674     15.88742799      3.28734235
    C     19.40230955     19.49304478     14.39003610      4.06935992
    C     19.37265188     15.83624563     19.54982777      3.28729418
    C     19.38745990     14.33873704     19.55018801      4.06936339
    C     19.37652374     23.17149136     19.54882327      3.28857884
    C     19.36348864     24.66858720     19.54700670      4.06888971
    C     15.69735302     19.51448118     19.55101724      3.28025821
    C     14.20751457     19.53133185     19.56388848      4.19894549
    C     23.04514296     19.48311039     19.54790679      3.28841232
    C     24.54203714     19.45829972     19.52886208      4.06888761
    H     13.29468496     17.20930880     17.31750308      0.75839432
    H     14.92845964     17.68617854     17.78595663      0.73758013
  107
Geometry Step: 79
   Zn      7.58631304      5.32233811      5.34397101     11.21132603
   Zn      5.28170534      7.61634076      5.32644101     11.20808352
   Zn      5.27300734      5.31426348      7.63206243     11.20778103
   Zn      7.58545975      7.62860479      7.64574323     11.20763783
   Zn     18.21498436     20.65441031     20.69729636     11.20748892
   Zn     20.52986987     18.35517152     20.71657103     11.20766993
   Zn     18.24316689     18.35414363     18.40185209     11.20872535
   Zn     20.53792050     20.66151227     18.40808522     11.20738085
    O      6.42799286      6.47680700      6.49461158      6.72568764
    O     19.38340399     19.50423177     19.55448798      6.72194880
    O      7.23575608      5.65894453      3.42177031      6.55595036
    C      7.15895446     18.76357406     13.76194105      4.06939417
    H      7.81991343     18.11045118     14.32609276      0.89720590
    O      5.62577791      7.26172392      3.40649624      6.55802601
    C     18.61945012      7.19580614     13.66745473      4.06968884
    H     17.94451827      7.84916555     14.21434215      0.89806416
    O      5.61864109      5.66173878      9.55347317      6.55831866
    C     18.57799177     18.63410792     12.27756429      4.06971780
    H     17.92400576     17.97432043     11.71299520      0.89791015
    O      7.21511122      7.27953374      9.56703451      6.55764940
    C      7.23852110      7.33143656     12.37374364      4.06911875
    H      7.91090626      7.98842600     11.82770722      0.89756011
    O      3.35863712      7.27733889      5.67487419      6.55771711
    C     13.58731857      7.26317357     18.71240459      4.06964430
    H     14.14593353      7.91112040     18.04141477      0.89793006
    O      3.35250558      5.67404771      7.28567082      6.55812517
    C     13.61121343     18.67470343      7.29776293      4.06962435
    H     14.16396432     18.00697268      7.95398576      0.89794652
    O      9.48689325      5.67598481      5.70610585      6.52067404
    N     12.02316019     18.74122579     18.79002242      5.35993703
    O      9.50853873      7.28961928      7.30392210      6.55785645
    C     12.33222132      7.32169264      7.33026630      4.16077141
    H     11.81100887      8.00705519      7.99092864      0.89321843
    O      5.61320822      3.39215648      7.28266060      6.55805474
    C     18.63454697     13.60038189      7.25468232      4.06966482
    H     17.95773503     14.14804084      7.90559784      0.89808148
    O      7.22590487      3.40281006      5.68248241      6.55596192
    C      7.14946714     13.76424283     18.77319838      4.06941715
    H      7.81267673     14.32762264     18.12160238      0.89720017
    O      5.62792764      9.53805120      5.67333028      6.55843467
    C     18.56059052     12.22728851     18.69326610      4.06973314
    H     17.90777213     11.66308459     18.03208851      0.89794738
    O      7.21805310      9.55127366      7.29720493      6.55771298
    C      7.24522809     12.35789370      7.34602689      4.06912521
    H      7.91291518     11.81177695      8.00774699      0.89753638
    O     18.56445251     20.30644404     22.61732070      6.55753603
    C     18.63662219      7.19518876     12.27656247      4.06970618
    H     17.97618612      7.84896220     11.71250565      0.89792309
    O     20.17268004     18.70111192     22.63241596      6.55722942
    C      7.17597688     18.76260213     12.37099253      4.06973376
    H      7.85112182     18.10906783     11.82441525      0.89834188
    O     18.56340000     18.70207285     16.47487796      6.56116638
    C     18.55504596     18.63678395     13.66855477      4.07012114
    H     17.88311095     17.97896191     14.21433890      0.90025618
    O     20.18482940     20.29459141     16.48964436      6.55767108
    C      7.21612677      7.33362196     13.76483223      4.06928173
    H      7.87106185      7.99212393     14.32983961      0.89779918
    O     20.17242026     16.43712439     20.35290551      6.55759665
    C      7.22633777     13.74895714      7.34498150      4.06931941
    H      7.87958891     14.31349174      8.00548196      0.89775522
    O     18.56378468     16.42588015     18.74738429      6.56161886
    C     18.54151873     13.61836195     18.69224809      4.07015473
    H     17.87449412     14.16428160     18.02940580      0.90035779
    O     18.57278494     22.57244268     20.34878302      6.55732303
    C     18.65082544     12.20948994      7.25502361      4.06973779
    H     17.98790418     11.64631174      7.90702826      0.89786945
    O     20.18904805     22.58020660     18.75167447      6.55746982
    C      7.16586168     12.37320467     18.77353995      4.06968597
    H      7.84316815     11.82573276     18.12285468      0.89842671
    O     16.30947886     18.70072271     18.75306501      6.59775225
    C     13.38268442     18.68692608     18.74603046      3.62639237
    N     13.91986303     17.77417436     17.87297397      5.42639995
    O     16.29999217     20.31886696     20.34386272      6.55443431
    C     13.72065898      7.26772126      7.28676030      4.03497136
    H     14.32503845      7.91607430      7.91683657      0.89471525
    O     22.44980453     18.69167065     20.36160792      6.55744267
    C     12.22035845     18.69889415      7.31570060      4.06967379
    H     11.66189488     18.05073056      7.98658583      0.89808631
    O     22.45512444     20.29465115     18.75042077      6.55762596
    C     12.19641020      7.28746684     18.73020649      4.06962957
    H     11.64384814      7.95512883     18.07366173      0.89814856
    C      6.43561598      6.45851208      2.81991605      3.28920629
    C      6.44925954      6.45494268      1.32244700      4.06774994
    C      6.41012385      6.47248280     10.15355065      3.28838388
    C      6.38953879      6.47534831     11.65215343      4.06776147
    C      2.76208033      6.48322631      6.48539857      3.28862458
    C      1.26444302      6.50415152      6.49983669      4.06814645
    C     10.09258778      6.47355993      6.49964055      3.31982689
    C     11.59805673      6.45905073      6.49407801      3.88235301
    C      6.42398329      2.80329698      6.48193989      3.28915618
    C      6.43669666      1.30574298      6.48080566      4.06777313
    C      6.41666992     10.13810048      6.48678301      3.28842275
    C      6.39824634     11.63679114      6.48759028      4.06771243
    C     19.36242208     19.50386868     23.21915504      3.28855379
    C     19.34641423     19.50396474     24.71599336      4.06890206
    C     19.38248626     19.49709661     15.88771550      3.28734283
    C     19.40346639     19.49345338     14.39029823      4.06936387
    C     19.37370112     15.83696312     19.55048134      3.28729329
    C     19.38848914     14.33951376     19.55086411      4.06935979
    C     19.37656196     23.17079387     19.54959066      3.28856520
    C     19.36368802     24.66781678     19.54767459      4.06889149
    C     15.69688631     19.51264974     19.55035078      3.28029775
    C     14.20700570     19.52964492     19.56286667      4.19896824
    C     23.04634907     19.48356511     19.54842216      3.28845388
    C     24.54323954     19.45899750     19.52933301      4.06887812
    H     13.29395522     17.20859756     17.31595709      0.75838521
    H     14.92757242     17.68597501     17.78373372      0.73762449
  107
Geometry Step: 80
   Zn      7.58658657      5.32234150      5.34400409     11.21132716
   Zn      5.28133121      7.61631143      5.32625242     11.20805876
   Zn      5.27287971      5.31436196      7.63182723     11.20777801
   Zn      7.58540811      7.62861531      7.64583418     11.20762487
   Zn     18.21479900     20.65428274     20.69718737     11.20750581
   Zn     20.53005103     18.35545967     20.71665777     11.20768143
   Zn     18.24329159     18.35412665     18.40188174     11.20872155
   Zn     20.53805578     20.66147937     18.40837515     11.20739946
    O      6.42797264      6.47687021      6.49442524      6.72573985
    O     19.38341998     19.50433256     19.55453074      6.72192191
    O      7.23542689      5.65892736      3.42176076      6.55599526
    C      7.15898395     18.76356207     13.76177810      4.06936944
    H      7.82020827     18.11059691     14.32584873      0.89720368
    O      5.62578685      7.26207435      3.40641510      6.55799559
    C     18.61949723      7.19633986     13.66746650      4.06969218
    H     17.94452509      7.84965281     14.21443666      0.89807083
    O      5.61867229      5.66173624      9.55338952      6.55835033
    C     18.57814392     18.63419914     12.27775750      4.06971264
    H     17.92409964     17.97441635     11.71326840      0.89790913
    O      7.21512542      7.27951154      9.56705234      6.55764933
    C      7.23843841      7.33151854     12.37355556      4.06912990
    H      7.91072912      7.98845572     11.82733554      0.89754813
    O      3.35823913      7.27732834      5.67492763      6.55774698
    C     13.58728106      7.26345705     18.71245463      4.06964425
    H     14.14607658      7.91141084     18.04165144      0.89791615
    O      3.35228038      5.67382593      7.28546597      6.55811132
    C     13.61120092     18.67461754      7.29803936      4.06962194
    H     14.16401036     18.00713493      7.95439713      0.89794174
    O      9.48712426      5.67513811      5.70639550      6.52057597
    N     12.02325587     18.74081689     18.78969545      5.35993376
    O      9.50843070      7.28905690      7.30417112      6.55782292
    C     12.33237698      7.32181738      7.32991328      4.16077252
    H     11.81128862      8.00729516      7.99074969      0.89325066
    O      5.61310399      3.39223385      7.28279242      6.55803288
    C     18.63464212     13.60051438      7.25485020      4.06966692
    H     17.95783843     14.14829046      7.90575066      0.89807345
    O      7.22582780      3.40298535      5.68267391      6.55596486
    C      7.14930261     13.76411960     18.77322251      4.06940760
    H      7.81267598     14.32742424     18.12172130      0.89719734
    O      5.62783378      9.53796355      5.67333569      6.55844689
    C     18.56071280     12.22769997     18.69338060      4.06972824
    H     17.90786898     11.66361141     18.03211845      0.89794264
    O      7.21764403      9.55119635      7.29750167      6.55773321
    C      7.24508314     12.35771312      7.34607808      4.06913061
    H      7.91274990     11.81151994      8.00772925      0.89753425
    O     18.56397706     20.30605483     22.61719756      6.55751841
    C     18.63641490      7.19544935     12.27654396      4.06969457
    H     17.97598398      7.84917495     11.71238325      0.89791771
    O     20.17262236     18.70111285     22.63238935      6.55720603
    C      7.17572377     18.76233993     12.37079973      4.06975287
    H      7.85095629     18.10910564     11.82391812      0.89834211
    O     18.56394343     18.70182482     16.47490270      6.56121763
    C     18.55524561     18.63704873     13.66873259      4.07013510
    H     17.88332928     17.97932703     14.21464215      0.90025180
    O     20.18498361     20.29471360     16.48976245      6.55768435
    C      7.21608912      7.33386326     13.76463966      4.06927024
    H      7.87103627      7.99238016     14.32959463      0.89779847
    O     20.17263070     16.43741149     20.35303327      6.55760191
    C      7.22632821     13.74876833      7.34503718      4.06932195
    H      7.87968674     14.31335332      8.00539556      0.89774276
    O     18.56384490     16.42606718     18.74768905      6.56159436
    C     18.54178923     13.61875803     18.69237882      4.07016279
    H     17.87497355     14.16478235     18.02944821      0.90034796
    O     18.57274360     22.57223229     20.34884240      6.55731886
    C     18.65089326     12.20960464      7.25514817      4.06974023
    H     17.98786768     11.64637972      7.90699971      0.89787108
    O     20.18906751     22.58012281     18.75180641      6.55745227
    C      7.16565443     12.37306192     18.77355103      4.06969271
    H      7.84290485     11.82536528     18.12294426      0.89841957
    O     16.30965602     18.70003363     18.75343149      6.59773009
    C     13.38279205     18.68675398     18.74569777      3.62640369
    N     13.91979764     17.77383610     17.87274727      5.42633043
    O     16.29979675     20.31863618     20.34372496      6.55445719
    C     13.72087218      7.26765100      7.28677750      4.03497599
    H     14.32527974      7.91570525      7.91718349      0.89469417
    O     22.45007641     18.69144863     20.36131286      6.55746358
    C     12.22035689     18.69870950      7.31581250      4.06967398
    H     11.66169253     18.05059358      7.98653775      0.89807481
    O     22.45530938     20.29474040     18.75050266      6.55761488
    C     12.19638643      7.28764553     18.73010583      4.06962639
    H     11.64376404      7.95509789     18.07347910      0.89814412
    C      6.43548902      6.45868710      2.81987852      3.28920048
    C      6.44924523      6.45511702      1.32234920      4.06776190
    C      6.41000694      6.47256000     10.15353864      3.28837982
    C      6.38935190      6.47541318     11.65212736      4.06776160
    C      2.76172310      6.48308380      6.48537742      3.28862642
    C      1.26407118      6.50406076      6.49992301      4.06815283
    C     10.09252594      6.47317272      6.49971143      3.31987224
    C     11.59818030      6.45909569      6.49369682      3.88237331
    C      6.42396017      2.80341801      6.48213180      3.28915922
    C      6.43662321      1.30586517      6.48094725      4.06776815
    C      6.41650458     10.13802609      6.48682872      3.28841028
    C      6.39811552     11.63668957      6.48756851      4.06771769
    C     19.36220344     19.50377122     23.21905460      3.28856836
    C     19.34618591     19.50399547     24.71593498      4.06892240
    C     19.38291611     19.49701946     15.88776459      3.28733504
    C     19.40386659     19.49360835     14.39033741      4.06936816
    C     19.37384563     15.83721170     19.55072317      3.28729844
    C     19.38869814     14.33981294     19.55110150      4.06935456
    C     19.37646739     23.17064430     19.54964048      3.28857414
    C     19.36367531     24.66768260     19.54772732      4.06890507
    C     15.69688362     19.51196705     19.55054471      3.28029847
    C     14.20707039     19.52936537     19.56265408      4.19894588
    C     23.04663295     19.48356779     19.54834052      3.28846408
    C     24.54355899     19.45909936     19.52932968      4.06888756
    H     13.29387775     17.20828361     17.31578088      0.75839428
    H     14.92738439     17.68605604     17.78272821      0.73767221
  107
Geometry Step: 81
   Zn      7.58693925      5.32242808      5.34405726     11.21134282
   Zn      5.28096436      7.61638049      5.32606480     11.20803090
   Zn      5.27274498      5.31448099      7.63160315     11.20776881
   Zn      7.58560306      7.62882744      7.64600514     11.20759201
   Zn     18.21473419     20.65404812     20.69703536     11.20754417
   Zn     20.53016739     18.35572574     20.71670720     11.20768878
   Zn     18.24322019     18.35402965     18.40194114     11.20871206
   Zn     20.53813210     20.66144354     18.40868108     11.20741648
    O      6.42800374      6.47704114      6.49433157      6.72585905
    O     19.38341703     19.50436409     19.55446917      6.72188303
    O      7.23517103      5.65894795      3.42180888      6.55601876
    C      7.15903725     18.76347395     13.76159868      4.06934140
    H      7.82050950     18.11069123     14.32565216      0.89720353
    O      5.62574472      7.26239754      3.40633502      6.55796362
    C     18.61945261      7.19698141     13.66752341      4.06968830
    H     17.94445876      7.85025302     14.21463155      0.89806948
    O      5.61856149      5.66173559      9.55338704      6.55837957
    C     18.57827092     18.63437986     12.27801049      4.06971751
    H     17.92430920     17.97453195     11.71346812      0.89790300
    O      7.21506858      7.27943291      9.56697472      6.55767267
    C      7.23839285      7.33164675     12.37327422      4.06914073
    H      7.91057973      7.98854624     11.82689914      0.89753553
    O      3.35789058      7.27728690      5.67506316      6.55779222
    C     13.58725047      7.26383190     18.71238982      4.06964807
    H     14.14623331      7.91176617     18.04182835      0.89789335
    O      3.35207024      5.67366597      7.28530126      6.55810330
    C     13.61120233     18.67446893      7.29840578      4.06962304
    H     14.16415121     18.00725720      7.95479958      0.89792749
    O      9.48739920      5.67426956      5.70667428      6.52044594
    N     12.02333848     18.74030378     18.78928203      5.35987990
    O      9.50835270      7.28848361      7.30443498      6.55776951
    C     12.33255860      7.32175062      7.32963519      4.16079600
    H     11.81141480      8.00744025      7.99051946      0.89330049
    O      5.61296325      3.39233467      7.28294504      6.55799812
    C     18.63467544     13.60066283      7.25510318      4.06967044
    H     17.95789978     14.14865535      7.90593028      0.89806365
    O      7.22572888      3.40320002      5.68282854      6.55596840
    C      7.14911513     13.76396201     18.77314131      4.06938566
    H      7.81272038     14.32719915     18.12179289      0.89719747
    O      5.62758560      9.53792722      5.67336548      6.55843439
    C     18.56083764     12.22815515     18.69355915      4.06972396
    H     17.90805000     11.66405581     18.03216459      0.89793255
    O      7.21715758      9.55104684      7.29775717      6.55774147
    C      7.24493644     12.35741129      7.34617174      4.06913569
    H      7.91257512     11.81111098      8.00772008      0.89752932
    O     18.56334374     20.30559585     22.61701522      6.55747514
    C     18.63615646      7.19583224     12.27654897      4.06968550
    H     17.97575543      7.84940489     11.71213217      0.89791278
    O     20.17259708     18.70119913     22.63237863      6.55719030
    C      7.17552854     18.76203493     12.37056769      4.06977094
    H      7.85075047     18.10911237     11.82321600      0.89833164
    O     18.56454760     18.70164670     16.47502742      6.56129398
    C     18.55543292     18.63733653     13.66898260      4.07014767
    H     17.88357235     17.97966261     14.21497133      0.90024647
    O     20.18525459     20.29483343     16.48988462      6.55769069
    C      7.21609921      7.33408505     13.76436814      4.06926252
    H      7.87096863      7.99268073     14.32935225      0.89779917
    O     20.17293407     16.43772716     20.35315228      6.55758620
    C      7.22634702     13.74847219      7.34511360      4.06931783
    H      7.87974457     14.31322563      8.00536574      0.89773153
    O     18.56404003     16.42630688     18.74797905      6.56156155
    C     18.54210234     13.61920470     18.69256338      4.07017056
    H     17.87551570     14.16534345     18.02957110      0.90033499
    O     18.57262326     22.57196751     20.34887736      6.55731204
    C     18.65095948     12.20973111      7.25545156      4.06973437
    H     17.98777700     11.64635875      7.90702962      0.89787381
    O     20.18912715     22.58003409     18.75196652      6.55742217
    C      7.16548337     12.37288424     18.77355765      4.06970735
    H      7.84260976     11.82480218     18.12308596      0.89840918
    O     16.30970545     18.69920131     18.75365875      6.59768749
    C     13.38291707     18.68668088     18.74535618      3.62644421
    N     13.91970941     17.77341387     17.87262712      5.42627323
    O     16.29974852     20.31821492     20.34344263      6.55450261
    C     13.72110858      7.26762594      7.28685397      4.03495886
    H     14.32533388      7.91544540      7.91762012      0.89465824
    O     22.45028898     18.69127050     20.36093144      6.55751163
    C     12.22037771     18.69845777      7.31606672      4.06967657
    H     11.66148576     18.05040374      7.98654849      0.89805480
    O     22.45546545     20.29478025     18.75055893      6.55762319
    C     12.19638055      7.28790762     18.72994671      4.06962664
    H     11.64361940      7.95510523     18.07331884      0.89813159
    C      6.43540197      6.45887125      2.81989145      3.28920850
    C      6.44923534      6.45530507      1.32225105      4.06778991
    C      6.40979852      6.47265833     10.15350227      3.28836320
    C      6.38918180      6.47552750     11.65203962      4.06776304
    C      2.76131766      6.48293679      6.48537923      3.28862877
    C      1.26362338      6.50393564      6.49995076      4.06816475
    C     10.09248242      6.47282059      6.49973259      3.31992502
    C     11.59830455      6.45911773      6.49319603      3.88240879
    C      6.42393921      2.80360693      6.48234053      3.28916966
    C      6.43655120      1.30601294      6.48106371      4.06778025
    C      6.41628826     10.13791883      6.48684960      3.28839509
    C      6.39799903     11.63649215      6.48754140      4.06772456
    C     19.36194640     19.50373218     23.21893249      3.28859927
    C     19.34597344     19.50412105     24.71589568      4.06895853
    C     19.38343011     19.49694182     15.88786201      3.28731992
    C     19.40428574     19.49376789     14.39043615      4.06937451
    C     19.37409665     15.83749335     19.55094713      3.28730351
    C     19.38898499     14.34016579     19.55136758      4.06935282
    C     19.37632546     23.17043867     19.54967932      3.28859552
    C     19.36363970     24.66751684     19.54788062      4.06893576
    C     15.69687860     19.51122855     19.55058708      3.28029346
    C     14.20721606     19.52921983     19.56242225      4.19889904
    C     23.04697358     19.48358769     19.54823507      3.28847228
    C     24.54397804     19.45925048     19.52940286      4.06890029
    H     13.29374879     17.20798110     17.31547645      0.75840453
    H     14.92719344     17.68610413     17.78168543      0.73771893
  107
Geometry Step: 82
   Zn      7.58713258      5.32243410      5.34399740     11.21134822
   Zn      5.28092577      7.61651591      5.32597302     11.20802553
   Zn      5.27267767      5.31445924      7.63157709     11.20775972
   Zn      7.58575804      7.62902670      7.64605601     11.20756766
   Zn     18.21475957     20.65397029     20.69703197     11.20755293
   Zn     20.53006634     18.35574103     20.71668346     11.20768556
   Zn     18.24303962     18.35405811     18.40210738     11.20870793
   Zn     20.53809004     20.66148387     18.40871976     11.20741651
    O      6.42802870      6.47706024      6.49432300      6.72595453
    O     19.38340873     19.50443929     19.55443656      6.72185810
    O      7.23520722      5.65896354      3.42183091      6.55599836
    C      7.15908462     18.76341949     13.76161628      4.06933740
    H      7.82055165     18.11067133     14.32576283      0.89720064
    O      5.62571887      7.26242708      3.40632962      6.55794598
    C     18.61933945      7.19711500     13.66759646      4.06967836
    H     17.94441022      7.85044131     14.21478066      0.89806146
    O      5.61842227      5.66170308      9.55350745      6.55839575
    C     18.57821172     18.63450182     12.27804819      4.06972793
    H     17.92443170     17.97454716     11.71334837      0.89790004
    O      7.21501370      7.27932959      9.56689638      6.55770956
    C      7.23844895      7.33164151     12.37320666      4.06914083
    H      7.91057152      7.98863078     11.82686357      0.89753729
    O      3.35787650      7.27724238      5.67511128      6.55781957
    C     13.58725988      7.26388286     18.71232574      4.06964734
    H     14.14626638      7.91184045     18.04186099      0.89788530
    O      3.35204184      5.67367389      7.28531180      6.55810107
    C     13.61121851     18.67446659      7.29851253      4.06963012
    H     14.16424218     18.00726913      7.95480338      0.89791773
    O      9.48749822      5.67427123      5.70657661      6.52040954
    N     12.02327452     18.74008485     18.78923021      5.35980936
    O      9.50831738      7.28850779      7.30433506      6.55774627
    C     12.33261053      7.32141258      7.32980290      4.16082159
    H     11.81141926      8.00745160      7.99035022      0.89332138
    O      5.61293327      3.39239197      7.28291583      6.55797194
    C     18.63461208     13.60070707      7.25521032      4.06966627
    H     17.95789820     14.14880328      7.90602370      0.89806346
    O      7.22573349      3.40317722      5.68274951      6.55597417
    C      7.14905667     13.76395423     18.77305876      4.06938264
    H      7.81277570     14.32723083     18.12185462      0.89719366
    O      5.62741738      9.53803533      5.67329890      6.55841015
    C     18.56082645     12.22816124     18.69364523      4.06973279
    H     17.90816763     11.66387761     18.03219748      0.89792288
    O      7.21702755      9.55094597      7.29766540      6.55772151
    C      7.24492179     12.35729851      7.34621524      4.06912911
    H      7.91255584     11.81099061      8.00775392      0.89753228
    O     18.56321353     20.30550100     22.61698394      6.55745849
    C     18.63605254      7.19591404     12.27660223      4.06968962
    H     17.97571181      7.84938444     11.71198313      0.89791290
    O     20.17263717     18.70125403     22.63242310      6.55719159
    C      7.17556861     18.76196717     12.37056569      4.06976707
    H      7.85066550     18.10906129     11.82300492      0.89832163
    O     18.56469917     18.70175783     16.47520272      6.56134002
    C     18.55538724     18.63739817     13.66902448      4.07013910
    H     17.88359316     17.97961173     14.21494224      0.90025042
    O     20.18538338     20.29494170     16.48981902      6.55769539
    C      7.21615835      7.33401842     13.76430274      4.06926711
    H      7.87087581      7.99274577     14.32936813      0.89780277
    O     20.17303135     16.43773578     20.35320205      6.55756695
    C      7.22638106     13.74837484      7.34511074      4.06931689
    H      7.87968271     14.31327922      8.00539791      0.89773178
    O     18.56417165     16.42643062     18.74804910      6.56155633
    C     18.54214991     13.61921798     18.69262888      4.07015656
    H     17.87557272     14.16530980     18.02963274      0.90033960
    O     18.57264739     22.57192009     20.34887301      6.55732203
    C     18.65096938     12.20975265      7.25561886      4.06973769
    H     17.98771625     11.64621299      7.90697783      0.89787346
    O     20.18920501     22.58007127     18.75195675      6.55739865
    C      7.16548113     12.37286334     18.77355272      4.06971188
    H      7.84247919     11.82459388     18.12311352      0.89840517
    O     16.30964756     18.69904705     18.75358238      6.59765221
    C     13.38287752     18.68674381     18.74528621      3.62647234
    N     13.91964592     17.77338899     17.87258739      5.42628827
    O     16.29979222     20.31800278     20.34336968      6.55451695
    C     13.72116533      7.26761446      7.28693458      4.03494981
    H     14.32521565      7.91560304      7.91762297      0.89463419
    O     22.45024999     18.69134559     20.36084650      6.55755099
    C     12.22041956     18.69842101      7.31617522      4.06967412
    H     11.66147749     18.05034434      7.98653063      0.89804955
    O     22.45548072     20.29479714     18.75054732      6.55764280
    C     12.19642080      7.28791213     18.72989754      4.06963303
    H     11.64358191      7.95507092     18.07336967      0.89812314
    C      6.43545152      6.45892759      2.81994546      3.28921830
    C      6.44923610      6.45538512      1.32226831      4.06780658
    C      6.40969108      6.47266744     10.15351170      3.28834306
    C      6.38917683      6.47556299     11.65201209      4.06776565
    C      2.76124129      6.48293302      6.48542077      3.28862398
    C      1.26354179      6.50394045      6.49997199      4.06816792
    C     10.09248397      6.47281215      6.49970568      3.31993094
    C     11.59828238      6.45895071      6.49318925      3.88242392
    C      6.42397298      2.80367233      6.48237082      3.28917371
    C      6.43651696      1.30603819      6.48113262      4.06779423
    C      6.41623747     10.13789236      6.48675316      3.28839376
    C      6.39803461     11.63639788      6.48753289      4.06772770
    C     19.36193075     19.50377307     23.21893609      3.28861168
    C     19.34600075     19.50418053     24.71594932      4.06898272
    C     19.38357278     19.49696347     15.88789830      3.28730622
    C     19.40433239     19.49375139     14.39046898      4.06937720
    C     19.37421615     15.83753619     19.55095709      3.28730642
    C     19.38907875     14.34021103     19.55135649      4.06935523
    C     19.37629719     23.17040350     19.54962143      3.28860376
    C     19.36363357     24.66751877     19.54790769      4.06895882
    C     15.69685965     19.51112875     19.55048287      3.28029409
    C     14.20728495     19.52931645     19.56232049      4.19888712
    C     23.04705304     19.48360778     19.54817926      3.28846621
    C     24.54409619     19.45924320     19.52941315      4.06890502
    H     13.29376259     17.20791241     17.31524990      0.75839290
    H     14.92717230     17.68617838     17.78175467      0.73772197
  107
Geometry Step: 83
   Zn      7.58729675      5.32275231      5.34392151     11.21134497
   Zn      5.28020730      7.61633264      5.32599151     11.20804205
   Zn      5.27194876      5.31476279      7.63147559     11.20776155
   Zn      7.58604006      7.62908441      7.64597028     11.20759725
   Zn     18.21388585     20.65322621     20.69652617     11.20758399
   Zn     20.53080615     18.35631094     20.71655896     11.20772202
   Zn     18.24287290     18.35406818     18.40220207     11.20872874
   Zn     20.53874917     20.66114266     18.40921604     11.20744088
    O      6.42774780      6.47710958      6.49434817      6.72607668
    O     19.38346926     19.50435416     19.55438770      6.72184952
    O      7.23573108      5.65960386      3.42192767      6.55593945
    C      7.15876834     18.76286910     13.76097513      4.06933222
    H      7.82059581     18.11044233     14.32511267      0.89720592
    O      5.62486557      7.26176798      3.40648054      6.55794192
    C     18.61924558      7.19829211     13.66787583      4.06966467
    H     17.94409921      7.85129786     14.21521811      0.89804539
    O      5.61771036      5.66209904      9.55347562      6.55841387
    C     18.57860657     18.63493781     12.27857941      4.06974421
    H     17.92500476     17.97482302     11.71374903      0.89789321
    O      7.21463191      7.27945291      9.56650003      6.55772137
    C      7.23829390      7.33215729     12.37266906      4.06914301
    H      7.91035660      7.98912137     11.82621298      0.89753537
    O      3.35714281      7.27679703      5.67470783      6.55780663
    C     13.58732181      7.26485917     18.71176855      4.06964711
    H     14.14631696      7.91276114     18.04128810      0.89787459
    O      3.35133290      5.67340107      7.28492817      6.55810472
    C     13.61144794     18.67392922      7.29918106      4.06963910
    H     14.16472126     18.00686839      7.95536492      0.89790346
    O      9.48748535      5.67465343      5.70690268      6.52042213
    N     12.02257592     18.73851445     18.78882808      5.35971604
    O      9.50852362      7.28893421      7.30447806      6.55768965
    C     12.33291667      7.32091514      7.33006554      4.16083113
    H     11.81195960      8.00778710      7.98991491      0.89333952
    O      5.61251962      3.39291646      7.28275082      6.55793689
    C     18.63460477     13.60109400      7.25590914      4.06966308
    H     17.95768255     14.14941059      7.90628995      0.89805947
    O      7.22508378      3.40354252      5.68220428      6.55598160
    C      7.14848908     13.76325462     18.77274542      4.06937400
    H      7.81251216     14.32644364     18.12177078      0.89719973
    O      5.62636951      9.53770999      5.67372164      6.55838303
    C     18.56128018     12.22905989     18.69412096      4.06974747
    H     17.90857210     11.66469279     18.03269740      0.89791501
    O      7.21676751      9.55034312      7.29739123      6.55765113
    C      7.24466816     12.35629151      7.34667722      4.06912656
    H      7.91218876     11.80972890      8.00812744      0.89752355
    O     18.56187563     20.30481343     22.61636242      6.55742382
    C     18.63591253      7.19719752     12.27685878      4.06970063
    H     17.97532935      7.85023554     11.71201655      0.89792047
    O     20.17346932     18.70268696     22.63216058      6.55720560
    C      7.17517983     18.76156647     12.36990964      4.06977541
    H      7.85035452     18.10909198     11.82191122      0.89828800
    O     18.56525880     18.70233275     16.47555079      6.56139230
    C     18.55602612     18.63775391     13.66956137      4.07013684
    H     17.88426776     17.97995474     14.21548410      0.90024876
    O     20.18659029     20.29485678     16.49020979      6.55767691
    C      7.21626709      7.33442851     13.76378739      4.06926538
    H      7.87090649      7.99331868     14.32886767      0.89781372
    O     20.17410146     16.43832327     20.35375264      6.55749423
    C      7.22646644     13.74739198      7.34562995      4.06931261
    H      7.87983423     14.31233096      8.00591437      0.89773890
    O     18.56557304     16.42698694     18.74826390      6.56154986
    C     18.54299780     13.62011870     18.69313959      4.07014747
    H     17.87657330     14.16634555     18.03014215      0.90033104
    O     18.57197748     22.57119307     20.34894165      6.55731903
    C     18.65115908     12.21012237      7.25677175      4.06974493
    H     17.98765521     11.64642239      7.90773120      0.89787769
    O     20.18986743     22.57944442     18.75324726      6.55738988
    C      7.16513783     12.37215859     18.77376690      4.06973021
    H      7.84226411     11.82346863     18.12385481      0.89838917
    O     16.30925089     18.69753297     18.75265352      6.59753168
    C     13.38218228     18.68556185     18.74445761      3.62649925
    N     13.91897445     17.77255218     17.87134811      5.42634742
    O     16.29930618     20.31691700     20.34192965      6.55452652
    C     13.72142086      7.26726165      7.28696275      4.03494536
    H     14.32547812      7.91521335      7.91758590      0.89459055
    O     22.45119883     18.69175226     20.36118296      6.55756522
    C     12.22067385     18.69778421      7.31697751      4.06967178
    H     11.66174648     18.04974836      7.98732899      0.89803926
    O     22.45632814     20.29517325     18.75108826      6.55765316
    C     12.19650845      7.28878888     18.72948287      4.06963429
    H     11.64347967      7.95581749     18.07302939      0.89811167
    C      6.43533628      6.45898945      2.82013961      3.28923098
    C      6.44893024      6.45553555      1.32242507      4.06783472
    C      6.40915027      6.47306367     10.15323374      3.28832547
    C      6.38882853      6.47613103     11.65165894      4.06777088
    C      2.76044169      6.48260820      6.48505502      3.28863593
    C      1.26274997      6.50360303      6.49961307      4.06817009
    C     10.09261560      6.47300359      6.50007628      3.31992919
    C     11.59829904      6.45863057      6.49352074      3.88243516
    C      6.42349744      2.80422195      6.48214932      3.28917001
    C      6.43601243      1.30653515      6.48114446      4.06782605
    C      6.41565874     10.13731807      6.48687750      3.28839568
    C      6.39763051     11.63569438      6.48791289      4.06774094
    C     19.36169557     19.50428541     23.21843878      3.28861925
    C     19.34591927     19.50486157     24.71545410      4.06901741
    C     19.38450309     19.49716846     15.88828958      3.28729423
    C     19.40520733     19.49398620     14.39087781      4.06938652
    C     19.37546404     15.83816140     19.55133654      3.28731039
    C     19.39018198     14.34087880     19.55179350      4.06936635
    C     19.37628354     23.16962545     19.55031736      3.28860392
    C     19.36375055     24.66674367     19.54872962      4.06899961
    C     15.69640250     19.50992064     19.54917334      3.28032511
    C     14.20692326     19.52808784     19.56134082      4.19888374
    C     23.04810064     19.48404880     19.54862860      3.28848812
    C     24.54517932     19.45986016     19.52996239      4.06889770
    H     13.29322762     17.20739084     17.31332264      0.75836915
    H     14.92662743     17.68589700     17.78043066      0.73772048
  107
Geometry Step: 84
   Zn      7.58739582      5.32268786      5.34379975     11.21133372
   Zn      5.28012663      7.61647530      5.32598287     11.20804650
   Zn      5.27192415      5.31481216      7.63146048     11.20777053
   Zn      7.58611421      7.62913882      7.64594696     11.20757712
   Zn     18.21378695     20.65324265     20.69660853     11.20757034
   Zn     20.53075776     18.35634165     20.71651145     11.20772022
   Zn     18.24284489     18.35415814     18.40236907     11.20873998
   Zn     20.53872087     20.66122412     18.40920329     11.20745260
    O      6.42772971      6.47711773      6.49423340      6.72613473
    O     19.38346387     19.50450544     19.55444212      6.72184621
    O      7.23573425      5.65965285      3.42196418      6.55592189
    C      7.15875255     18.76284197     13.76094827      4.06934085
    H      7.82061917     18.11047678     14.32513636      0.89721016
    O      5.62486206      7.26183065      3.40646651      6.55794662
    C     18.61915944      7.19835481     13.66797232      4.06965650
    H     17.94410443      7.85149985     14.21527998      0.89804024
    O      5.61753827      5.66211824      9.55350657      6.55840362
    C     18.57854713     18.63504874     12.27856159      4.06975132
    H     17.92504478     17.97483389     11.71367704      0.89789349
    O      7.21460680      7.27936113      9.56645333      6.55774246
    C      7.23829544      7.33213486     12.37264948      4.06914035
    H      7.91030546      7.98921214     11.82624679      0.89754129
    O      3.35710673      7.27675053      5.67470787      6.55781818
    C     13.58733948      7.26487318     18.71180293      4.06965095
    H     14.14629735      7.91283751     18.04134959      0.89787519
    O      3.35130019      5.67337776      7.28494134      6.55810135
    C     13.61147731     18.67396814      7.29925917      4.06964219
    H     14.16477104     18.00687553      7.95542441      0.89790368
    O      9.48765968      5.67457938      5.70674752      6.52044649
    N     12.02251594     18.73846326     18.78884817      5.35970268
    O      9.50843379      7.28882585      7.30422768      6.55771351
    C     12.33292705      7.32072160      7.33024702      4.16083463
    H     11.81194523      8.00769243      7.98985031      0.89334086
    O      5.61248011      3.39304098      7.28267443      6.55791740
    C     18.63462538     13.60114430      7.25602161      4.06966070
    H     17.95772150     14.14943198      7.90640970      0.89806864
    O      7.22510632      3.40343351      5.68211866      6.55598626
    C      7.14844240     13.76320696     18.77274862      4.06937620
    H      7.81257363     14.32640569     18.12187638      0.89719494
    O      5.62622913      9.53779959      5.67357698      6.55834483
    C     18.56129777     12.22902468     18.69417567      4.06975702
    H     17.90867329     11.66455864     18.03271742      0.89790955
    O      7.21666141      9.55019442      7.29725608      6.55763087
    C      7.24466921     12.35620901      7.34667538      4.06912025
    H      7.91216507     11.80969382      8.00819840      0.89753336
    O     18.56177490     20.30467653     22.61633805      6.55742425
    C     18.63585908      7.19728440     12.27695151      4.06970792
    H     17.97522861      7.85022968     11.71204739      0.89792733
    O     20.17355562     18.70276252     22.63222904      6.55722077
    C      7.17520432     18.76158401     12.36987962      4.06976978
    H      7.85027557     18.10899378     11.82187888      0.89828139
    O     18.56548164     18.70246176     16.47572012      6.56141752
    C     18.55602149     18.63778773     13.66956718      4.07012630
    H     17.88428731     17.97989412     14.21542077      0.90025797
    O     20.18678211     20.29501066     16.49016975      6.55765834
    C      7.21631146      7.33433331     13.76378284      4.06927241
    H      7.87082583      7.99338188     14.32886312      0.89781617
    O     20.17421544     16.43834686     20.35384541      6.55746951
    C      7.22648715     13.74732857      7.34561121      4.06931652
    H      7.87976922     14.31231647      8.00595654      0.89774272
    O     18.56568440     16.42711416     18.74837660      6.56153489
    C     18.54303528     13.62009938     18.69320385      4.07013286
    H     17.87658834     14.16624789     18.03017791      0.90034048
    O     18.57207702     22.57118770     20.34891165      6.55734904
    C     18.65112979     12.21016485      7.25687941      4.06974731
    H     17.98751997     11.64642324      7.90771518      0.89787912
    O     20.18999776     22.57949408     18.75320245      6.55736161
    C      7.16503979     12.37211411     18.77375904      4.06973497
    H      7.84211657     11.82342228     18.12383314      0.89839051
    O     16.30919559     18.69727960     18.75264985      6.59749723
    C     13.38210296     18.68549770     18.74438135      3.62649968
    N     13.91889971     17.77247262     17.87128472      5.42636973
    O     16.29938992     20.31662797     20.34198795      6.55450142
    C     13.72141778      7.26731960      7.28688747      4.03493774
    H     14.32541066      7.91529440      7.91754500      0.89459522
    O     22.45117850     18.69185243     20.36113738      6.55758590
    C     12.22069261     18.69776386      7.31700487      4.06967189
    H     11.66180562     18.04965491      7.98732431      0.89804158
    O     22.45639435     20.29525217     18.75105895      6.55767413
    C     12.19652151      7.28874277     18.72946868      4.06963702
    H     11.64348399      7.95579724     18.07302649      0.89810963
    C      6.43539123      6.45908506      2.82017323      3.28922771
    C      6.44891388      6.45562640      1.32247221      4.06783792
    C      6.40910462      6.47300146     10.15320692      3.28832150
    C      6.38883212      6.47611733     11.65161977      4.06776853
    C      2.76040219      6.48262025      6.48511230      3.28863358
    C      1.26273479      6.50360433      6.49967275      4.06816596
    C     10.09272466      6.47290717      6.49999465      3.31990006
    C     11.59827646      6.45856634      6.49367995      3.88242499
    C      6.42349192      2.80427008      6.48216568      3.28917228
    C      6.43599266      1.30657682      6.48126607      4.06782702
    C      6.41557151     10.13724824      6.48679225      3.28840072
    C      6.39762960     11.63559789      6.48792587      4.06774389
    C     19.36165384     19.50425588     23.21847107      3.28861190
    C     19.34592077     19.50488702     24.71547384      4.06901819
    C     19.38464070     19.49729840     15.88834486      3.28729387
    C     19.40523063     19.49399171     14.39091911      4.06938538
    C     19.37560207     15.83822566     19.55136993      3.28731890
    C     19.39029068     14.34091350     19.55175890      4.06936687
    C     19.37634676     23.16961943     19.55024645      3.28860080
    C     19.36370241     24.66671770     19.54870620      4.06900240
    C     15.69643008     19.50993203     19.54897853      3.28033987
    C     14.20692635     19.52811890     19.56115792      4.19889362
    C     23.04815284     19.48407134     19.54855770      3.28848109
    C     24.54522559     19.45984273     19.52994587      4.06888890
    H     13.29320444     17.20734544     17.31310155      0.75835334
    H     14.92663468     17.68598286     17.78049437      0.73770936
  107
Geometry Step: 85
   Zn      7.58758839      5.32249530      5.34357466     11.21130931
   Zn      5.27989489      7.61673102      5.32600271     11.20805641
   Zn      5.27193158      5.31501276      7.63136868     11.20780275
   Zn      7.58611203      7.62907382      7.64584514     11.20755111
   Zn     18.21352209     20.65336122     20.69681789     11.20752699
   Zn     20.53071653     18.35648500     20.71643521     11.20771998
   Zn     18.24297108     18.35439619     18.40270816     11.20876767
   Zn     20.53869701     20.66143142     18.40918225     11.20748823
    O      6.42770736      6.47714713      6.49385969      6.72618990
    O     19.38346727     19.50487960     19.55462612      6.72183775
    O      7.23563654      5.65977187      3.42201296      6.55592651
    C      7.15871134     18.76283826     13.76085590      4.06935209
    H      7.82070884     18.11063649     14.32511954      0.89721632
    O      5.62491700      7.26210072      3.40643095      6.55796594
    C     18.61903320      7.19854360     13.66816421      4.06964775
    H     17.94417401      7.85199314     14.21537616      0.89803442
    O      5.61718426      5.66219156      9.55346641      6.55837100
    C     18.57846550     18.63524065     12.27851370      4.06975890
    H     17.92506521     17.97489221     11.71361947      0.89789385
    O      7.21459396      7.27915605      9.56640197      6.55776494
    C      7.23825644      7.33210213     12.37265324      4.06913146
    H      7.91013873      7.98938321     11.82628963      0.89755229
    O      3.35695736      7.27667529      5.67470931      6.55783863
    C     13.58735772      7.26492637     18.71197591      4.06965142
    H     14.14628085      7.91303462     18.04157073      0.89788251
    O      3.35121059      5.67328154      7.28495077      6.55808763
    C     13.61152280     18.67405559      7.29945287      4.06964779
    H     14.16486011     18.00694993      7.95566849      0.89790850
    O      9.48812102      5.67413621      5.70639982      6.52047826
    N     12.02246059     18.73845472     18.78886103      5.35971711
    O      9.50817867      7.28840252      7.30368780      6.55777668
    C     12.33291840      7.32057024      7.33050636      4.16081355
    H     11.81192106      8.00745222      7.98984075      0.89332696
    O      5.61241129      3.39332411      7.28251159      6.55789627
    C     18.63474985     13.60126241      7.25630320      4.06965818
    H     17.95785321     14.14944968      7.90672528      0.89808597
    O      7.22517081      3.40317447      5.68202104      6.55600400
    C      7.14838155     13.76307926     18.77286085      4.06937524
    H      7.81270786     14.32628466     18.12215510      0.89718189
    O      5.62597813      9.53796358      5.67320415      6.55827403
    C     18.56137550     12.22899194     18.69424457      4.06977507
    H     17.90887454     11.66440940     18.03275654      0.89789547
    O      7.21638476      9.54986937      7.29700326      6.55760715
    C      7.24468630     12.35608047      7.34665308      4.06910691
    H      7.91208682     11.80964939      8.00836300      0.89755578
    O     18.56151359     20.30430067     22.61633414      6.55744955
    C     18.63572939      7.19747330     12.27715226      4.06971590
    H     17.97494137      7.85024241     11.71219307      0.89793907
    O     20.17372765     18.70288189     22.63236575      6.55724616
    C      7.17518807     18.76161232     12.36980035      4.06976491
    H      7.85008206     18.10877557     11.82185365      0.89827262
    O     18.56609763     18.70267470     16.47605302      6.56145420
    C     18.55605643     18.63785531     13.66954637      4.07010526
    H     17.88434403     17.97983614     14.21533001      0.90027817
    O     20.18722125     20.29539716     16.49010309      6.55761210
    C      7.21636482      7.33419232     13.76379289      4.06928095
    H      7.87066750      7.99352984     14.32879788      0.89781532
    O     20.17447909     16.43842073     20.35407719      6.55743483
    C      7.22652016     13.74721023      7.34558281      4.06932404
    H      7.87966154     14.31223134      8.00600883      0.89774343
    O     18.56586965     16.42736711     18.74869636      6.56149998
    C     18.54311704     13.62007285     18.69332026      4.07010681
    H     17.87664974     14.16609060     18.03021407      0.90035912
    O     18.57234414     22.57117666     20.34882393      6.55742402
    C     18.65100659     12.21027984      7.25702037      4.06974587
    H     17.98717935     11.64652195      7.90768437      0.89788363
    O     20.19025857     22.57963910     18.75306627      6.55730350
    C      7.16473272     12.37200872     18.77370486      4.06974675
    H      7.84175343     11.82337642     18.12372474      0.89838972
    O     16.30912840     18.69661750     18.75280518      6.59743602
    C     13.38198036     18.68523624     18.74419816      3.62647119
    N     13.91880408     17.77223073     17.87110924      5.42640990
    O     16.29954736     20.31596886     20.34222274      6.55444685
    C     13.72138289      7.26746364      7.28666380      4.03493517
    H     14.32534292      7.91537648      7.91748590      0.89462317
    O     22.45116265     18.69200493     20.36098767      6.55761023
    C     12.22071325     18.69769232      7.31699792      4.06966332
    H     11.66189397     18.04942193      7.98728734      0.89805347
    O     22.45657551     20.29545959     18.75096976      6.55770666
    C     12.19652830      7.28863845     18.72944373      4.06964133
    H     11.64348593      7.95571934     18.07294638      0.89810872
    C      6.43545399      6.45934674      2.82019542      3.28920347
    C      6.44889484      6.45583003      1.32255867      4.06783473
    C      6.40905089      6.47281421     10.15313668      3.28832925
    C      6.38880960      6.47606872     11.65156113      4.06776790
    C      2.76030670      6.48262524      6.48524199      3.28862878
    C      1.26270277      6.50360441      6.49985293      4.06816066
    C     10.09291984      6.47255701      6.49976914      3.31984707
    C     11.59826490      6.45851985      6.49402051      3.88240139
    C      6.42344047      2.80432657      6.48220343      3.28916605
    C      6.43598668      1.30666766      6.48156790      4.06781761
    C      6.41533841     10.13709899      6.48663329      3.28841558
    C      6.39759798     11.63543662      6.48795508      4.06775405
    C     19.36152828     19.50409652     23.21856787      3.28858839
    C     19.34583169     19.50491471     24.71550106      4.06901207
    C     19.38498268     19.49762374     15.88846048      3.28730283
    C     19.40532197     19.49402973     14.39098020      4.06938838
    C     19.37589026     15.83837502     19.55149774      3.28734147
    C     19.39051783     14.34098199     19.55170970      4.06936763
    C     19.37654696     23.16965148     19.55011805      3.28858537
    C     19.36353914     24.66665852     19.54861840      4.06900200
    C     15.69650711     19.50992461     19.54860265      3.28037445
    C     14.20688002     19.52806237     19.56071467      4.19893548
    C     23.04824110     19.48411639     19.54837798      3.28846781
    C     24.54528570     19.45979361     19.52987942      4.06887491
    H     13.29320599     17.20721272     17.31268537      0.75833086
    H     14.92663019     17.68614564     17.78039983      0.73768929
  107
Geometry Step: 86
   Zn      7.58775631      5.32237795      5.34346769     11.21129086
   Zn      5.27959822      7.61677751      5.32596296     11.20805832
   Zn      5.27188388      5.31520409      7.63119678     11.20782896
   Zn      7.58591857      7.62888229      7.64576757     11.20754642
   Zn     18.21327146     20.65339061     20.69689238     11.20750022
   Zn     20.53085463     18.35671288     20.71644471     11.20772783
   Zn     18.24322693     18.35456434     18.40287017     11.20878283
   Zn     20.53883601     20.66154035     18.40924676     11.20752044
    O      6.42765173      6.47716313      6.49349801      6.72618501
    O     19.38354462     19.50513096     19.55476553      6.72183133
    O      7.23541349      5.65985957      3.42202039      6.55595913
    C      7.15865776     18.76285035     13.76069243      4.06935744
    H      7.82084442     18.11087980     14.32499390      0.89721539
    O      5.62496515      7.26244227      3.40634589      6.55797118
    C     18.61902100      7.19889546     13.66828849      4.06964570
    H     17.94426774      7.85248703     14.21547917      0.89803491
    O      5.61699654      5.66227464      9.55332641      6.55835732
    C     18.57852070     18.63536745     12.27856828      4.06976424
    H     17.92508938     17.97500361     11.71374783      0.89788946
    O      7.21461412      7.27903326      9.56640217      6.55775501
    C      7.23813279      7.33213468     12.37259001      4.06912709
    H      7.90992489      7.98947030     11.82616282      0.89755357
    O      3.35667639      7.27664104      5.67470262      6.55784820
    C     13.58734641      7.26509970     18.71215999      4.06965555
    H     14.14631673      7.91328138     18.04182432      0.89788173
    O      3.35104067      5.67310654      7.28485485      6.55806835
    C     13.61154920     18.67406705      7.29968728      4.06964541
    H     14.16489374     18.00706067      7.95605833      0.89791252
    O      9.48849123      5.67346341      5.70635845      6.52046776
    N     12.02247557     18.73834118     18.78867724      5.35974297
    O      9.50794380      7.28787705      7.30349373      6.55781075
    C     12.33297947      7.32061707      7.33049718      4.16077965
    H     11.81203706      8.00745568      7.98980179      0.89332504
    O      5.61233604      3.39352482      7.28247081      6.55789081
    C     18.63490375     13.60140799      7.25655957      4.06965684
    H     17.95801329     14.14960160      7.90697656      0.89809147
    O      7.22517570      3.40307965      5.68207936      6.55601772
    C      7.14828299     13.76291769     18.77299517      4.06937638
    H      7.81272494     14.32615309     18.12242763      0.89716863
    O      5.62582314      9.53797002      5.67298338      6.55825156
    C     18.56151579     12.22918005     18.69431537      4.06978598
    H     17.90904175     11.66462087     18.03280924      0.89788588
    O      7.21605886      9.54964621      7.29698262      6.55761455
    C      7.24463624     12.35594117      7.34665194      4.06910341
    H      7.91194626     11.80950321      8.00844949      0.89756533
    O     18.56112216     20.30390507     22.61630558      6.55745881
    C     18.63560468      7.19772547     12.27727419      4.06971832
    H     17.97467126      7.85033498     11.71228792      0.89793880
    O     20.17381224     18.70298827     22.63243166      6.55725608
    C      7.17504297     18.76153504     12.36963872      4.06976681
    H      7.84989750     18.10864731     11.82168742      0.89827042
    O     18.56673606     18.70267376     16.47622489      6.56147487
    C     18.55623083     18.63799750     13.66962230      4.07009786
    H     17.88450215     17.98001075     14.21545181      0.90028688
    O     20.18756704     20.29569127     16.49013570      6.55757762
    C      7.21635140      7.33425109     13.76373952      4.06928703
    H      7.87058942      7.99372367     14.32862984      0.89780712
    O     20.17473641     16.43860292     20.35428841      6.55742394
    C      7.22652877     13.74707643      7.34559416      4.06933301
    H      7.87965833     14.31207491      8.00600890      0.89773675
    O     18.56599755     16.42757289     18.74903559      6.56147684
    C     18.54330307     13.62026539     18.69342916      4.07010045
    H     17.87691088     14.16629488     18.03025638      0.90036101
    O     18.57247264     22.57109568     20.34879852      6.55746218
    C     18.65093891     12.21042131      7.25711878      4.06974492
    H     17.98697240     11.64665061      7.90766160      0.89788261
    O     20.19040402     22.57967952     18.75306172      6.55727889
    C      7.16441891     12.37185816     18.77366407      4.06975236
    H      7.84142569     11.82322255     18.12367705      0.89838575
    O     16.30917941     18.69593983     18.75310336      6.59741584
    C     13.38195390     18.68489556     18.74392458      3.62644723
    N     13.91876188     17.77190252     17.87078564      5.42642786
    O     16.29951277     20.31552211     20.34232684      6.55442832
    C     13.72142789      7.26744653      7.28649896      4.03494083
    H     14.32542047      7.91522082      7.91749916      0.89464579
    O     22.45131186     18.69197665     20.36079775      6.55760600
    C     12.22070299     18.69754643      7.31699241      4.06966284
    H     11.66185284     18.04922419      7.98725406      0.89805538
    O     22.45682180     20.29565797     18.75095441      6.55770885
    C     12.19648905      7.28865896     18.72938967      4.06963989
    H     11.64345260      7.95567964     18.07277165      0.89810737
    C      6.43541545      6.45958389      2.82015610      3.28918215
    C      6.44887668      6.45603692      1.32254006      4.06783652
    C      6.40900037      6.47271245     10.15307226      3.28834542
    C      6.38869924      6.47606418     11.65152450      4.06776504
    C      2.76011265      6.48257125      6.48529468      3.28863325
    C      1.26252403      6.50356685      6.50001921      4.06816226
    C     10.09299431      6.47216853      6.49968350      3.31983489
    C     11.59833705      6.45854646      6.49410303      3.88239528
    C      6.42337104      2.80438163      6.48228877      3.28915896
    C      6.43595792      1.30675780      6.48182074      4.06781103
    C      6.41509513     10.13697262      6.48659576      3.28841933
    C      6.39748272     11.63532992      6.48799125      4.06776276
    C     19.36132011     19.50393747     23.21858763      3.28857660
    C     19.34562959     19.50490817     24.71548732      4.06900915
    C     19.38537591     19.49782231     15.88855425      3.28731491
    C     19.40556464     19.49414113     14.39103326      4.06938936
    C     19.37613218     15.83857474     19.55170476      3.28735503
    C     19.39075315     14.34114950     19.55179713      4.06936406
    C     19.37665027     23.16961802     19.55011167      3.28857428
    C     19.36341413     24.66656698     19.54857949      4.06900308
    C     15.69652413     19.50962579     19.54849758      3.28038722
    C     14.20683846     19.52771745     19.56040745      4.19894287
    C     23.04840323     19.48414412     19.54825443      3.28847077
    C     24.54544210     19.45980745     19.52982605      4.06887107
    H     13.29320652     17.20692852     17.31233558      0.75832574
    H     14.92657404     17.68621510     17.77975555      0.73769429
  107
Geometry Step: 87
   Zn      7.58791411      5.32230466      5.34339223     11.21127012
   Zn      5.27922186      7.61673947      5.32586799     11.20805948
   Zn      5.27178209      5.31542705      7.63096327     11.20785992
   Zn      7.58563266      7.62858644      7.64567431     11.20754349
   Zn     18.21308216     20.65335036     20.69690253     11.20748162
   Zn     20.53111581     18.35702478     20.71650048     11.20774272
   Zn     18.24357349     18.35473918     18.40297506     11.20879361
   Zn     20.53912711     20.66163711     18.40932080     11.20756219
    O      6.42755701      6.47720199      6.49307641      6.72614706
    O     19.38372855     19.50535039     19.55485843      6.72182532
    O      7.23507546      5.65997945      3.42199281      6.55602295
    C      7.15858700     18.76288052     13.76042490      4.06936056
    H      7.82102573     18.11127277     14.32481626      0.89720909
    O      5.62505458      7.26295429      3.40617404      6.55796917
    C     18.61903985      7.19947390     13.66842877      4.06964734
    H     17.94440378      7.85317321     14.21564704      0.89803492
    O      5.61677470      5.66238962      9.55310843      6.55834329
    C     18.57866191     18.63553307     12.27872299      4.06976001
    H     17.92516283     17.97520488     11.71398407      0.89788475
    O      7.21463481      7.27888347      9.56638446      6.55772643
    C      7.23794288      7.33220497     12.37247076      4.06912605
    H      7.90962280      7.98956584     11.82592747      0.89755082
    O      3.35628575      7.27665074      5.67473060      6.55785543
    C     13.58730340      7.26539188     18.71242418      4.06965474
    H     14.14633869      7.91365828     18.04215601      0.89788357
    O      3.35077540      5.67286194      7.28473288      6.55803492
    C     13.61156821     18.67405752      7.30004309      4.06963833
    H     14.16486772     18.00718996      7.95667105      0.89791949
    O      9.48891636      5.67247471      5.70645376      6.52043255
    N     12.02257131     18.73814163     18.78825883      5.35979173
    O      9.50769240      7.28716352      7.30340709      6.55784556
    C     12.33306811      7.32067970      7.33041733      4.16074759
    H     11.81213818      8.00756444      7.98966270      0.89332474
    O      5.61226270      3.39371909      7.28250056      6.55789298
    C     18.63511229     13.60162276      7.25692802      4.06965802
    H     17.95823456     14.14992726      7.90727819      0.89809092
    O      7.22517381      3.40305150      5.68226296      6.55604314
    C      7.14813606     13.76266973     18.77317114      4.06937714
    H      7.81267825     14.32600235     18.12280416      0.89714985
    O      5.62563089      9.53790836      5.67277062      6.55824217
    C     18.56172821     12.22954884     18.69443060      4.06978791
    H     17.90931119     11.66503711     18.03287816      0.89787594
    O      7.21558128      9.54939784      7.29706474      6.55764268
    C      7.24454490     12.35575391      7.34665890      4.06910562
    H      7.91173340     11.80922150      8.00850185      0.89757214
    O     18.56047952     20.30336271     22.61627927      6.55746179
    C     18.63544412      7.19810906     12.27741755      4.06971554
    H     17.97429145      7.85046836     11.71238978      0.89793160
    O     20.17383900     18.70314194     22.63249053      6.55726557
    C      7.17482317     18.76137249     12.36937976      4.06976969
    H      7.84965838     18.10845772     11.82142424      0.89826963
    O     18.56762298     18.70257006     16.47639848      6.56148632
    C     18.55650879     18.63823296     13.66978159      4.07009637
    H     17.88477900     17.98033526     14.21574415      0.90029188
    O     20.18800155     20.29605404     16.49020834      6.55753131
    C      7.21629301      7.33440681     13.76361033      4.06928344
    H      7.87050881      7.99398948     14.32834352      0.89779736
    O     20.17508582     16.43889031     20.35454952      6.55741948
    C      7.22655396     13.74687653      7.34560328      4.06933720
    H      7.87966677     14.31182530      8.00601752      0.89772719
    O     18.56615225     16.42781212     18.74947883      6.56145375
    C     18.54361219     13.62062302     18.69356810      4.07010183
    H     17.87736064     14.16679790     18.03036305      0.90035506
    O     18.57253320     22.57094299     20.34877905      6.55749196
    C     18.65086527     12.21063313      7.25725985      4.06974092
    H     17.98674243     11.64682755      7.90764067      0.89787762
    O     20.19048398     22.57968781     18.75310499      6.55726708
    C      7.16400393     12.37162409     18.77358840      4.06975419
    H      7.84101757     11.82295476     18.12362348      0.89837849
    O     16.30927627     18.69506878     18.75351505      6.59740735
    C     13.38201139     18.68440338     18.74350522      3.62641704
    N     13.91875828     17.77143814     17.87029346      5.42641074
    O     16.29944313     20.31503026     20.34235809      6.55443315
    C     13.72151768      7.26731340      7.28636299      4.03494309
    H     14.32548516      7.91498498      7.91753440      0.89467361
    O     22.45155569     18.69182307     20.36048933      6.55758395
    C     12.22067579     18.69731141      7.31697828      4.06966045
    H     11.66175217     18.04896029      7.98723029      0.89805970
    O     22.45719193     20.29590545     18.75091726      6.55768834
    C     12.19640995      7.28873108     18.72928814      4.06963746
    H     11.64339818      7.95566656     18.07248924      0.89810665
    C      6.43532420      6.45989553      2.82003679      3.28915814
    C      6.44886005      6.45632015      1.32243547      4.06784132
    C      6.40891394      6.47261193     10.15297217      3.28836971
    C      6.38850351      6.47606071     11.65146808      4.06776712
    C      2.75984333      6.48249574      6.48535498      3.28864347
    C      1.26224170      6.50350303      6.50021946      4.06816953
    C     10.09305193      6.47163282      6.49963225      3.31984302
    C     11.59849559      6.45855919      6.49406766      3.88239563
    C      6.42328835      2.80443120      6.48243692      3.28914870
    C      6.43591151      1.30685079      6.48211957      4.06780725
    C      6.41473530     10.13681643      6.48661544      3.28842019
    C      6.39726960     11.63521296      6.48804295      4.06777825
    C     19.36097469     19.50373962     23.21860000      3.28856934
    C     19.34531025     19.50489841     24.71547417      4.06900804
    C     19.38592865     19.49803133     15.88868329      3.28733068
    C     19.40595502     19.49435802     14.39112198      4.06939597
    C     19.37644596     15.83886194     19.55199900      3.28736758
    C     19.39109978     14.34141952     19.55198188      4.06936401
    C     19.37670796     23.16955036     19.55016046      3.28856291
    C     19.36325981     24.66644587     19.54857871      4.06900772
    C     15.69654061     19.50906062     19.54851841      3.28039018
    C     14.20680381     19.52711519     19.56012400      4.19893828
    C     23.04862266     19.48415916     19.54809435      3.28848234
    C     24.54566583     19.45985438     19.52978551      4.06887598
    H     13.29324860     17.20647394     17.31187427      0.75833094
    H     14.92649347     17.68625660     17.77864432      0.73771881
  107
Geometry Step: 88
   Zn      7.58776560      5.32236061      5.34343186     11.21127787
   Zn      5.27928252      7.61667934      5.32590689     11.20807061
   Zn      5.27178817      5.31546699      7.63099797     11.20786869
   Zn      7.58558770      7.62842700      7.64558460     11.20755662
   Zn     18.21328267     20.65333733     20.69687615     11.20748176
   Zn     20.53119088     18.35702009     20.71651617     11.20774840
   Zn     18.24366119     18.35476475     18.40290664     11.20878572
   Zn     20.53925082     20.66164747     18.40921213     11.20757026
    O      6.42752506      6.47721946      6.49308512      6.72607735
    O     19.38386280     19.50528401     19.55477456      6.72182914
    O      7.23510266      5.66006583      3.42193805      6.55604422
    C      7.15854593     18.76293001     13.76036702      4.06936977
    H      7.82092983     18.11140491     14.32484629      0.89720041
    O      5.62509481      7.26302688      3.40611439      6.55797892
    C     18.61907854      7.19955129     13.66845921      4.06965401
    H     17.94445851      7.85321993     14.21569648      0.89803373
    O      5.61665945      5.66245040      9.55304864      6.55832087
    C     18.57872386     18.63553063     12.27876955      4.06976313
    H     17.92519686     17.97530754     11.71399729      0.89787630
    O      7.21461424      7.27882573      9.56631455      6.55770802
    C      7.23789734      7.33219893     12.37246871      4.06911784
    H      7.90957587      7.98958383     11.82598198      0.89755482
    O      3.35632267      7.27670617      5.67476058      6.55784077
    C     13.58728272      7.26543042     18.71251007      4.06965108
    H     14.14623921      7.91370498     18.04215196      0.89788948
    O      3.35074988      5.67288506      7.28482200      6.55802343
    C     13.61157322     18.67407201      7.30008580      4.06963562
    H     14.16478005     18.00714682      7.95676740      0.89792290
    O      9.48889083      5.67240126      5.70644136      6.52041757
    N     12.02263590     18.73816086     18.78814231      5.35981624
    O      9.50772297      7.28717569      7.30342011      6.55784080
    C     12.33302849      7.32064192      7.33049285      4.16074279
    H     11.81191604      8.00753375      7.98967260      0.89331500
    O      5.61230131      3.39368027      7.28250990      6.55792384
    C     18.63516090     13.60165240      7.25702492      4.06966116
    H     17.95826336     14.15002994      7.90729301      0.89808766
    O      7.22519114      3.40305301      5.68232969      6.55605463
    C      7.14813664     13.76260935     18.77323134      4.06938262
    H      7.81259462     14.32602752     18.12289532      0.89714425
    O      5.62558062      9.53787061      5.67276216      6.55824412
    C     18.56176795     12.22957993     18.69444856      4.06978922
    H     17.90942203     11.66504815     18.03288944      0.89787072
    O      7.21554398      9.54935845      7.29702090      6.55766369
    C      7.24454524     12.35575260      7.34664726      4.06910647
    H      7.91169780     11.80916970      8.00847178      0.89757095
    O     18.56032157     20.30331385     22.61634911      6.55745650
    C     18.63548760      7.19816000     12.27746127      4.06971384
    H     17.97422036      7.85042883     11.71249697      0.89792459
    O     20.17382309     18.70323051     22.63249046      6.55727433
    C      7.17481890     18.76137574     12.36933663      4.06976391
    H      7.84964863     18.10834579     11.82153581      0.89827383
    O     18.56773346     18.70260215     16.47643018      6.56145256
    C     18.55655150     18.63825338     13.66982348      4.07008917
    H     17.88485057     17.98034746     14.21581158      0.90029119
    O     20.18810344     20.29611504     16.49019305      6.55750656
    C      7.21623087      7.33443863     13.76359204      4.06929126
    H      7.87049551      7.99394439     14.32830072      0.89778648
    O     20.17514925     16.43889390     20.35456927      6.55742423
    C      7.22659150     13.74686340      7.34557103      4.06933846
    H      7.87961488     14.31174735      8.00608624      0.89772336
    O     18.56621142     16.42778501     18.74948652      6.56146717
    C     18.54367474     13.62064949     18.69356064      4.07010516
    H     17.87740126     14.16693232     18.03046250      0.90034955
    O     18.57247135     22.57092393     20.34873963      6.55747239
    C     18.65082416     12.21066590      7.25727022      4.06973457
    H     17.98669891     11.64690700      7.90768365      0.89787416
    O     20.19042235     22.57971405     18.75310812      6.55729273
    C      7.16393625     12.37157245     18.77353367      4.06974893
    H      7.84102274     11.82298046     18.12357177      0.89837673
    O     16.30923664     18.69508464     18.75342522      6.59744255
    C     13.38206718     18.68427700     18.74348665      3.62640426
    N     13.91881564     17.77140516     17.87015810      5.42640904
    O     16.29951121     20.31499832     20.34227608      6.55446446
    C     13.72148643      7.26721199      7.28639004      4.03493346
    H     14.32536205      7.91509752      7.91739481      0.89469192
    O     22.45154983     18.69178909     20.36046515      6.55755202
    C     12.22066283     18.69726740      7.31692300      4.06965911
    H     11.66179865     18.04892079      7.98727015      0.89806485
    O     22.45728195     20.29593988     18.75082771      6.55766812
    C     12.19637283      7.28871475     18.72927346      4.06964024
    H     11.64341446      7.95570381     18.07244558      0.89810723
    C      6.43529565      6.45991608      2.81995584      3.28915693
    C      6.44886913      6.45633645      1.32236570      4.06783720
    C      6.40889254      6.47257938     10.15292110      3.28838423
    C      6.38849387      6.47604232     11.65144737      4.06777108
    C      2.75990460      6.48251842      6.48537431      3.28865175
    C      1.26227017      6.50349815      6.50021314      4.06817253
    C     10.09300511      6.47161707      6.49958161      3.31986388
    C     11.59854950      6.45851985      6.49406424      3.88240794
    C      6.42328134      2.80436067      6.48242266      3.28914171
    C      6.43593436      1.30678942      6.48212300      4.06780784
    C      6.41463901     10.13679993      6.48664537      3.28842246
    C      6.39721458     11.63522794      6.48807873      4.06778139
    C     19.36091250     19.50375329     23.21863452      3.28857219
    C     19.34526309     19.50491220     24.71551032      4.06899916
    C     19.38598203     19.49810550     15.88871404      3.28734343
    C     19.40595117     19.49442087     14.39115512      4.06939669
    C     19.37651163     15.83885794     19.55201719      3.28736606
    C     19.39116066     14.34141083     19.55199566      4.06936722
    C     19.37669464     23.16957831     19.55020989      3.28856129
    C     19.36320397     24.66646987     19.54861964      4.06900068
    C     15.69652285     19.50895607     19.54857318      3.28037451
    C     14.20677244     19.52693885     19.56020132      4.19892409
    C     23.04857433     19.48417067     19.54808811      3.28849113
    C     24.54562191     19.45986565     19.52982643      4.06888236
    H     13.29338653     17.20641603     17.31176021      0.75834287
    H     14.92648036     17.68614625     17.77847748      0.73772702
  107
Geometry Step: 89
   Zn      7.58751193      5.32265780      5.34346655     11.21128606
   Zn      5.27873002      7.61642570      5.32589484     11.20809202
   Zn      5.27133350      5.31586270      7.63086750     11.20790929
   Zn      7.58559262      7.62786800      7.64522023     11.20758016
   Zn     18.21317210     20.65289929     20.69654739     11.20750091
   Zn     20.53190883     18.35760480     20.71656224     11.20779611
   Zn     18.24408014     18.35494073     18.40286539     11.20878009
   Zn     20.54007768     20.66154620     18.40934531     11.20763628
    O      6.42723421      6.47735196      6.49288039      6.72595756
    O     19.38432663     19.50530031     19.55463300      6.72181435
    O      7.23503379      5.66063001      3.42180178      6.55611079
    C      7.15831242     18.76284830     13.75963919      4.06937830
    H      7.82106772     18.11193971     14.32429644      0.89718605
    O      5.62495067      7.26348554      3.40593064      6.55799084
    C     18.61914966      7.20097319     13.66875386      4.06966830
    H     17.94449247      7.85450295     14.21605908      0.89802738
    O      5.61592322      5.66277720      9.55277395      6.55828060
    C     18.57924540     18.63589103     12.27935820      4.06976830
    H     17.92560352     17.97586447     11.71453588      0.89786076
    O      7.21432494      7.27863146      9.56584345      6.55767663
    C      7.23758099      7.33251385     12.37198318      4.06911023
    H      7.90912099      7.98996690     11.82549732      0.89755285
    O      3.35574635      7.27665686      5.67483368      6.55781968
    C     13.58718863      7.26633963     18.71268493      4.06964023
    H     14.14599377      7.91471861     18.04221718      0.89789654
    O      3.35012868      5.67255160      7.28473106      6.55797553
    C     13.61169765     18.67384112      7.30088952      4.06962980
    H     14.16470923     18.00704730      7.95795482      0.89793039
    O      9.48903748      5.67161826      5.70670388      6.52037251
    N     12.02255598     18.73682277     18.78747634      5.35983313
    O      9.50783456      7.28688477      7.30344045      6.55781237
    C     12.33314409      7.32038562      7.33051804      4.16076225
    H     11.81165674      8.00791133      7.98906153      0.89331081
    O      5.61219443      3.39396210      7.28264783      6.55797094
    C     18.63540473     13.60207844      7.25793742      4.06967132
    H     17.95834202     14.15075213      7.90777598      0.89807484
    O      7.22494123      3.40333108      5.68247669      6.55609106
    C      7.14773367     13.76190310     18.77330273      4.06938706
    H      7.81232995     14.32542872     18.12328985      0.89713511
    O      5.62479702      9.53756345      5.67283838      6.55824051
    C     18.56227232     12.23053296     18.69486610      4.06979315
    H     17.91010835     11.66599800     18.03317222      0.89786044
    O      7.21478510      9.54877341      7.29704222      6.55772218
    C      7.24432424     12.35503164      7.34685760      4.06911694
    H      7.91126710     11.80816680      8.00860964      0.89756351
    O     18.55869574     20.30235795     22.61613868      6.55741761
    C     18.63529910      7.19923619     12.27777354      4.06970440
    H     17.97339612      7.85090010     11.71287688      0.89791451
    O     20.17403745     18.70409358     22.63233586      6.55729116
    C      7.17439763     18.76092910     12.36863713      4.06976484
    H      7.84927993     18.10783391     11.82101481      0.89826957
    O     18.56915680     18.70270544     16.47681299      6.56143404
    C     18.55718571     18.63873726     13.67039128      4.07008593
    H     17.88559797     17.98087655     14.21653716      0.90028353
    O     20.18919882     20.29657581     16.49038372      6.55742658
    C      7.21603696      7.33490580     13.76306351      4.06929630
    H      7.87044605      7.99436853     14.32760762      0.89777101
    O     20.17608168     16.43945868     20.35511115      6.55740727
    C      7.22676890     13.74611094      7.34569821      4.06933956
    H      7.87962930     14.31081580      8.00649054      0.89772049
    O     18.56710478     16.42821967     18.75004285      6.56149114
    C     18.54455890     13.62157614     18.69388695      4.07011797
    H     17.87845897     14.16828461     18.03099283      0.90032099
    O     18.57200507     22.57032154     20.34873770      6.55742325
    C     18.65075237     12.21109036      7.25802857      4.06972259
    H     17.98628286     11.64744003      7.90817881      0.89787927
    O     20.19050227     22.57942138     18.75371209      6.55732953
    C      7.16328111     12.37088953     18.77341529      4.06974818
    H      7.84060325     11.82227092     18.12371983      0.89835893
    O     16.30912665     18.69360830     18.75311550      6.59746107
    C     13.38200235     18.68300456     18.74268154      3.62639485
    N     13.91876230     17.77075610     17.86873207      5.42634913
    O     16.29932346     20.31401898     20.34130164      6.55456737
    C     13.72165918      7.26665903      7.28653174      4.03491107
    H     14.32528664      7.91485413      7.91728653      0.89469308
    O     22.45213722     18.69161529     20.36006466      6.55748160
    C     12.22074182     18.69660019      7.31718161      4.06965280
    H     11.66197787     18.04823087      7.98768809      0.89807333
    O     22.45813016     20.29635302     18.75083352      6.55760370
    C     12.19624345      7.28919474     18.72891317      4.06964513
    H     11.64340149      7.95609526     18.07181755      0.89810544
    C      6.43509892      6.46033985      2.81975599      3.28914867
    C      6.44876578      6.45678009      1.32217267      4.06783653
    C      6.40844972      6.47267289     10.15257517      3.28840941
    C      6.38812704      6.47629270     11.65110161      4.06777364
    C      2.75936553      6.48233507      6.48536522      3.28868284
    C      1.26166502      6.50328819      6.50020676      4.06817046
    C     10.09304286      6.47112628      6.49966225      3.31992947
    C     11.59882730      6.45802258      6.49411538      3.88243072
    C      6.42306231      2.80454631      6.48253833      3.28912574
    C      6.43572164      1.30698711      6.48242478      4.06781082
    C      6.41383110     10.13635991      6.48683984      3.28841226
    C      6.39673250     11.63475977      6.48835483      4.06779870
    C     19.36029066     19.50380551     23.21841962      3.28858628
    C     19.34478763     19.50523608     24.71527597      4.06899006
    C     19.38709228     19.49846658     15.88905282      3.28736287
    C     19.40673179     19.49490490     14.39154395      4.06939816
    C     19.37748474     15.83941663     19.55254394      3.28736233
    C     19.39211554     14.34205092     19.55245316      4.06936703
    C     19.37655296     23.16913563     19.55066505      3.28855875
    C     19.36298650     24.66599307     19.54910830      4.06900524
    C     15.69629639     19.50740392     19.54822506      3.28035471
    C     14.20656599     19.52546028     19.55974614      4.19890162
    C     23.04917418     19.48435746     19.54805720      3.28853413
    C     24.54624359     19.46022644     19.53015757      4.06888361
    H     13.29371845     17.20564541     17.31011874      0.75836609
    H     14.92630208     17.68598726     17.77656569      0.73776845
  107
Geometry Step: 90
   Zn      7.58735015      5.32274916      5.34349225     11.21130373
   Zn      5.27883272      7.61636483      5.32587759     11.20809904
   Zn      5.27129516      5.31589088      7.63090480     11.20790936
   Zn      7.58564733      7.62770992      7.64508588     11.20757224
   Zn     18.21349274     20.65281604     20.69654185     11.20750660
   Zn     20.53196089     18.35758909     20.71660897     11.20778980
   Zn     18.24401976     18.35495826     18.40286794     11.20875814
   Zn     20.54028729     20.66158029     18.40920172     11.20762582
    O      6.42722010      6.47733725      6.49293021      6.72589550
    O     19.38452377     19.50523627     19.55448726      6.72182220
    O      7.23519018      5.66079142      3.42170950      6.55611051
    C      7.15825363     18.76289459     13.75960746      4.06938211
    H      7.82092017     18.11201001     14.32436301      0.89717807
    O      5.62493786      7.26351510      3.40590999      6.55798345
    C     18.61917370      7.20110452     13.66883415      4.06967790
    H     17.94450422      7.85456363     14.21616459      0.89801898
    O      5.61567356      5.66287459      9.55280064      6.55827615
    C     18.57934811     18.63593859     12.27944855      4.06977312
    H     17.92571127     17.97601308     11.71450401      0.89785755
    O      7.21428780      7.27848037      9.56569061      6.55768847
    C      7.23755031      7.33250378     12.37194212      4.06910668
    H      7.90909593      7.99002822     11.82560106      0.89755554
    O      3.35585085      7.27667078      5.67491357      6.55781874
    C     13.58715168      7.26635547     18.71274578      4.06963881
    H     14.14582664      7.91473884     18.04220552      0.89789854
    O      3.35014279      5.67268377      7.28488511      6.55796845
    C     13.61171534     18.67387556      7.30089422      4.06962747
    H     14.16458992     18.00700235      7.95796389      0.89793242
    O      9.48895216      5.67170505      5.70658016      6.52037464
    N     12.02256458     18.73671182     18.78725066      5.35980702
    O      9.50794122      7.28699779      7.30332137      6.55780862
    C     12.33307839      7.32015845      7.33062509      4.16079166
    H     11.81135608      8.00774313      7.98910811      0.89330612
    O      5.61221002      3.39392348      7.28261907      6.55799817
    C     18.63536144     13.60216041      7.25808394      4.06967244
    H     17.95831807     14.15089729      7.90788072      0.89806676
    O      7.22496655      3.40333477      5.68246910      6.55609523
    C      7.14770101     13.76183153     18.77331295      4.06939580
    H      7.81226262     14.32543308     18.12337796      0.89713659
    O      5.62462159      9.53760186      5.67283314      6.55825540
    C     18.56232615     12.23056502     18.69493637      4.06980053
    H     17.91030059     11.66589944     18.03322826      0.89785637
    O      7.21474075      9.54868462      7.29687630      6.55775870
    C      7.24432074     12.35495898      7.34690208      4.06911571
    H      7.91124729     11.80804998      8.00862453      0.89755699
    O     18.55844874     20.30229001     22.61627125      6.55739964
    C     18.63535036      7.19930766     12.27786622      4.06969804
    H     17.97330152      7.85085833     11.71303232      0.89791110
    O     20.17410074     18.70430199     22.63233373      6.55729374
    C      7.17440183     18.76091535     12.36861708      4.06976011
    H      7.84926224     18.10769149     11.82115746      0.89826878
    O     18.56924765     18.70289452     16.47693871      6.56142129
    C     18.55721907     18.63875648     13.67047508      4.07008205
    H     17.88568169     17.98081668     14.21656150      0.90027946
    O     20.18939526     20.29667840     16.49026511      6.55742426
    C      7.21593472      7.33489252     13.76300452      4.06930518
    H      7.87038258      7.99428714     14.32759175      0.89776536
    O     20.17622231     16.43937698     20.35513179      6.55742761
    C      7.22682933     13.74603313      7.34565615      4.06934112
    H      7.87953559     14.31070617      8.00663668      0.89772285
    O     18.56730591     16.42818557     18.75000062      6.56152966
    C     18.54464770     13.62160547     18.69386369      4.07011621
    H     17.87843397     14.16837120     18.03112813      0.90031110
    O     18.57190280     22.57026430     20.34867498      6.55739512
    C     18.65072433     12.21116303      7.25813968      4.06972056
    H     17.98622034     11.64754136      7.90824546      0.89788431
    O     20.19049584     22.57950574     18.75373265      6.55735752
    C      7.16327141     12.37081578     18.77337406      4.06974268
    H      7.84059752     11.82225621     18.12364237      0.89835123
    O     16.30901008     18.69365016     18.75277002      6.59749737
    C     13.38203031     18.68297412     18.74260259      3.62640873
    N     13.91877031     17.77071796     17.86867495      5.42632794
    O     16.29940616     20.31389141     20.34108548      6.55461829
    C     13.72160363      7.26656514      7.28661680      4.03489070
    H     14.32508850      7.91515263      7.91705474      0.89469136
    O     22.45207044     18.69170918     20.36004251      6.55746453
    C     12.22077639     18.69657366      7.31714922      4.06965336
    H     11.66212592     18.04820287      7.98772144      0.89807633
    O     22.45821803     20.29635281     18.75072896      6.55758591
    C     12.19622568      7.28914937     18.72893773      4.06964846
    H     11.64347638      7.95610957     18.07185604      0.89810486
    C      6.43509195      6.46038086      2.81970611      3.28916262
    C      6.44875072      6.45683714      1.32213442      4.06782931
    C      6.40833027      6.47269288     10.15254123      3.28840707
    C      6.38812312      6.47627766     11.65104628      4.06777039
    C      2.75939035      6.48237529      6.48540875      3.28868749
    C      1.26167027      6.50327421      6.50015131      4.06816090
    C     10.09304964      6.47108327      6.49960031      3.31994515
    C     11.59885987      6.45775823      6.49407773      3.88243865
    C      6.42308712      2.80450128      6.48250893      3.28912836
    C      6.43571210      1.30690164      6.48245972      4.06781550
    C      6.41372805     10.13636468      6.48680072      3.28840330
    C      6.39671961     11.63474068      6.48837850      4.06779644
    C     19.36026751     19.50388634     23.21848299      3.28860065
    C     19.34479440     19.50527968     24.71534549      4.06898305
    C     19.38718985     19.49855105     15.88907291      3.28735843
    C     19.40671244     19.49497558     14.39161449      4.06938966
    C     19.37762604     15.83934987     19.55254375      3.28734749
    C     19.39219757     14.34202203     19.55247675      4.06936701
    C     19.37649085     23.16916175     19.55068784      3.28856539
    C     19.36294225     24.66606746     19.54917825      4.06900494
    C     15.69623160     19.50719887     19.54822694      3.28034237
    C     14.20653960     19.52538254     19.55981173      4.19889204
    C     23.04918977     19.48441357     19.54807011      3.28853710
    C     24.54625243     19.46026506     19.53027171      4.06888041
    H     13.29374183     17.20568416     17.30989994      0.75837226
    H     14.92633221     17.68584103     17.77655043      0.73776507
  107
Geometry Step: 91
   Zn      7.58719284      5.32281924      5.34344474     11.21132749
   Zn      5.27896430      7.61634720      5.32579705     11.20811051
   Zn      5.27122802      5.31596092      7.63091808     11.20791309
   Zn      7.58576341      7.62746138      7.64483181     11.20754251
   Zn     18.21395623     20.65267174     20.69660841     11.20751121
   Zn     20.53198807     18.35756453     20.71669874     11.20777162
   Zn     18.24386822     18.35502061     18.40302024     11.20872796
   Zn     20.54064383     20.66171625     18.40895604     11.20760218
    O      6.42719169      6.47723417      6.49291403      6.72583817
    O     19.38486955     19.50527919     19.55428654      6.72184112
    O      7.23546357      5.66110639      3.42159248      6.55608635
    C      7.15816122     18.76298590     13.75958807      4.06939268
    H      7.82069878     18.11209712     14.32448969      0.89717076
    O      5.62491369      7.26360790      3.40592993      6.55795320
    C     18.61918983      7.20138363     13.66903390      4.06968354
    H     17.94449926      7.85478267     14.21638558      0.89800957
    O      5.61515654      5.66306852      9.55289678      6.55827499
    C     18.57952028     18.63607447     12.27960356      4.06978484
    H     17.92589745     17.97627401     11.71443050      0.89785889
    O      7.21426217      7.27813018      9.56538950      6.55773175
    C      7.23748526      7.33247710     12.37182693      4.06910189
    H      7.90904445      7.99017745     11.82577441      0.89756322
    O      3.35603377      7.27663812      5.67508910      6.55783636
    C     13.58708940      7.26635165     18.71288232      4.06963850
    H     14.14554812      7.91477033     18.04228953      0.89790330
    O      3.35021105      5.67295430      7.28515283      6.55795284
    C     13.61176575     18.67397577      7.30089341      4.06962953
    H     14.16440971     18.00699940      7.95796303      0.89793901
    O      9.48885846      5.67184375      5.70624068      6.52039901
    N     12.02253370     18.73645558     18.78686658      5.35972864
    O      9.50805065      7.28709787      7.30289040      6.55782736
    C     12.33289575      7.31964590      7.33079897      4.16083963
    H     11.81089734      8.00729560      7.98923056      0.89330236
    O      5.61220165      3.39394593      7.28250286      6.55801873
    C     18.63523895     13.60234468      7.25837836      4.06966583
    H     17.95826937     14.15113869      7.90821239      0.89806238
    O      7.22502984      3.40328326      5.68237941      6.55609903
    C      7.14761834     13.76171262     18.77331920      4.06941192
    H      7.81223845     14.32540375     18.12355355      0.89714511
    O      5.62423534      9.53775633      5.67275130      6.55826552
    C     18.56243274     12.23060012     18.69508574      4.06981739
    H     17.91064959     11.66565836     18.03334076      0.89785031
    O      7.21461107      9.54842234      7.29650217      6.55780719
    C      7.24430497     12.35475667      7.34700656      4.06911189
    H      7.91121499     11.80783026      8.00873573      0.89754964
    O     18.55798386     20.30208734     22.61648728      6.55736231
    C     18.63537412      7.19943131     12.27807489      4.06969269
    H     17.97308497      7.85079964     11.71332875      0.89791202
    O     20.17427528     18.70471314     22.63235801      6.55729623
    C      7.17438153     18.76087497     12.36860473      4.06974575
    H      7.84919843     18.10741667     11.82138090      0.89827054
    O     18.56949806     18.70332542     16.47727010      6.56143241
    C     18.55728768     18.63879629     13.67063705      4.07007312
    H     17.88581284     17.98066948     14.21654768      0.90027812
    O     20.18981464     20.29695812     16.48997931      6.55742595
    C      7.21574953      7.33481708     13.76287723      4.06932341
    H      7.87021862      7.99416224     14.32758109      0.89776259
    O     20.17652873     16.43919635     20.35520379      6.55745477
    C      7.22693472     13.74584535      7.34558023      4.06934380
    H      7.87937410     14.31050963      8.00690103      0.89773277
    O     18.56772934     16.42820022     18.74997114      6.56158675
    C     18.54481626     13.62165298     18.69383407      4.07010696
    H     17.87835455     14.16840949     18.03132375      0.90029849
    O     18.57181438     22.57015398     20.34856483      6.55736927
    C     18.65065960     12.21132519      7.25839341      4.06971986
    H     17.98602159     11.64773633      7.90835392      0.89790225
    O     20.19057616     22.57971832     18.75374002      6.55738418
    C      7.16324432     12.37069021     18.77332140      4.06973242
    H      7.84049242     11.82219464     18.12344947      0.89834164
    O     16.30882411     18.69362715     18.75213600      6.59749424
    C     13.38203650     18.68296655     18.74241788      3.62645608
    N     13.91879746     17.77058301     17.86860680      5.42634640
    O     16.29955201     20.31352203     20.34077286      6.55469797
    C     13.72145702      7.26648893      7.28671413      4.03486046
    H     14.32475958      7.91573915      7.91663096      0.89467617
    O     22.45190249     18.69198101     20.35995671      6.55746293
    C     12.22085949     18.69654772      7.31709479      4.06965392
    H     11.66241550     18.04813141      7.98771068      0.89808448
    O     22.45835352     20.29635714     18.75055203      6.55756642
    C     12.19620278      7.28902138     18.72902022      4.06965876
    H     11.64362473      7.95605213     18.07195737      0.89810538
    C      6.43513756      6.46054914      2.81970368      3.28918383
    C      6.44871066      6.45703186      1.32215707      4.06782252
    C      6.40807214      6.47274255     10.15247324      3.28839282
    C      6.38811374      6.47623464     11.65091563      4.06776064
    C      2.75939395      6.48245695      6.48554382      3.28868685
    C      1.26165887      6.50325596      6.50008930      4.06813580
    C     10.09313563      6.47089559      6.49943652      3.31994379
    C     11.59884579      6.45720824      6.49402560      3.88243502
    C      6.42317825      2.80448542      6.48250878      3.28913499
    C      6.43567617      1.30679966      6.48263230      4.06783015
    C      6.41356986     10.13633428      6.48663589      3.28838793
    C      6.39675259     11.63464428      6.48837394      4.06779030
    C     19.36021474     19.50400180     23.21860558      3.28861897
    C     19.34481457     19.50533313     24.71546626      4.06897258
    C     19.38744277     19.49873762     15.88912472      3.28733799
    C     19.40669754     19.49509310     14.39175730      4.06937213
    C     19.37791543     15.83924632     19.55256688      3.28732384
    C     19.39235463     14.34197911     19.55253043      4.06936186
    C     19.37636045     23.16920868     19.55062223      3.28856992
    C     19.36284528     24.66620325     19.54924692      4.06901138
    C     15.69615917     19.50681304     19.54812408      3.28033944
    C     14.20649955     19.52534315     19.55982321      4.19887611
    C     23.04926575     19.48452620     19.54804126      3.28852939
    C     24.54630949     19.46031664     19.53046451      4.06886171
    H     13.29372188     17.20581560     17.30945211      0.75836660
    H     14.92644153     17.68562774     17.77661509      0.73774294
  107
Geometry Step: 92
   Zn      7.58728439      5.32271492      5.34331751     11.21133568
   Zn      5.27885125      7.61640700      5.32573447     11.20812412
   Zn      5.27117505      5.31614557      7.63079439     11.20793677
   Zn      7.58572694      7.62719513      7.64460414     11.20752828
   Zn     18.21396866     20.65259487     20.69671319     11.20749276
   Zn     20.53205308     18.35767840     20.71675916     11.20776394
   Zn     18.24391025     18.35515049     18.40329322     11.20872302
   Zn     20.54091804     20.66189386     18.40888347     11.20760060
    O      6.42715607      6.47708870      6.49264476      6.72582206
    O     19.38509877     19.50554566     19.55429463      6.72185190
    O      7.23559807      5.66140359      3.42158078      6.55607236
    C      7.15807669     18.76303678     13.75952761      4.06939575
    H      7.82062876     18.11217786     14.32447536      0.89717008
    O      5.62484972      7.26377007      3.40601344      6.55791830
    C     18.61919989      7.20177147     13.66924645      4.06968303
    H     17.94450315      7.85518463     14.21659722      0.89801238
    O      5.61468218      5.66328697      9.55290809      6.55827683
    C     18.57968658     18.63621530     12.27973602      4.06979069
    H     17.92600800     17.97649504     11.71447693      0.89786406
    O      7.21430624      7.27782170      9.56517099      6.55776170
    C      7.23737643      7.33250601     12.37169896      4.06909602
    H      7.90891546      7.99034269     11.82578476      0.89757080
    O      3.35598437      7.27654362      5.67515645      6.55786015
    C     13.58705313      7.26643819     18.71302479      4.06963833
    H     14.14544702      7.91490764     18.04248688      0.89790648
    O      3.35019567      5.67306620      7.28527304      6.55793223
    C     13.61182641     18.67402257      7.30098742      4.06963308
    H     14.16440187     18.00709339      7.95810532      0.89794525
    O      9.48896720      5.67164783      5.70589362      6.52040865
    N     12.02246897     18.73612684     18.78658061      5.35969373
    O      9.50792365      7.28690693      7.30240485      6.55784968
    C     12.33276252      7.31937601      7.33085056      4.16084432
    H     11.81076121      8.00685012      7.98947252      0.89330258
    O      5.61210718      3.39414566      7.28232097      6.55801159
    C     18.63519782     13.60254666      7.25870785      4.06965363
    H     17.95828119     14.15131745      7.90864572      0.89807101
    O      7.22503682      3.40317566      5.68223519      6.55610399
    C      7.14751085     13.76156303     18.77337146      4.06942087
    H      7.81229609     14.32524413     18.12375054      0.89714751
    O      5.62384059      9.53788617      5.67258682      6.55825182
    C     18.56259362     12.23070819     18.69522050      4.06983182
    H     17.91089918     11.66561901     18.03347401      0.89784526
    O      7.21440432      9.54805098      7.29616763      6.55782130
    C      7.24425970     12.35449697      7.34712146      4.06910113
    H      7.91111679     11.80759009      8.00894702      0.89755330
    O     18.55748038     20.30172713     22.61655552      6.55734227
    C     18.63527991      7.19963709     12.27829221      4.06968824
    H     17.97281251      7.85087802     11.71359633      0.89791893
    O     20.17455213     18.70512731     22.63238525      6.55728840
    C      7.17424206     18.76078280     12.36854829      4.06973773
    H      7.84905209     18.10723230     11.82139655      0.89827566
    O     18.56993676     18.70371723     16.47762415      6.56146544
    C     18.55744669     18.63886759     13.67077165      4.07006334
    H     17.88596576     17.98063309     14.21655959      0.90028690
    O     20.19032345     20.29730077     16.48978086      6.55742610
    C      7.21560814      7.33480974     13.76273749      4.06933613
    H      7.87005944      7.99416954     14.32750517      0.89776166
    O     20.17691878     16.43914097     20.35538394      6.55746174
    C      7.22698577     13.74558860      7.34558971      4.06934269
    H      7.87931118     14.31025560      8.00707533      0.89774060
    O     18.56817030     16.42835573     18.75010733      6.56160286
    C     18.54502872     13.62175689     18.69388349      4.07009323
    H     17.87841768     14.16843198     18.03142888      0.90029801
    O     18.57185995     22.57001247     20.34849387      6.55738473
    C     18.65056933     12.21151565      7.25865728      4.06971836
    H     17.98574873     11.64796908      7.90847672      0.89791969
    O     20.19081786     22.57989800     18.75380689      6.55737261
    C      7.16307769     12.37054554     18.77330272      4.06973243
    H      7.84022737     11.82204583     18.12330834      0.89833709
    O     16.30874052     18.69324450     18.75177951      6.59746181
    C     13.38197235     18.68279151     18.74213059      3.62647985
    N     13.91876206     17.77028495     17.86845382      5.42636619
    O     16.29956329     20.31296476     20.34060679      6.55471970
    C     13.72133662      7.26651863      7.28664345      4.03484187
    H     14.32466974      7.91604433      7.91632999      0.89467465
    O     22.45188158     18.69225216     20.35987689      6.55747352
    C     12.22094404     18.69645906      7.31709859      4.06964819
    H     11.66260043     18.04797115      7.98767770      0.89809261
    O     22.45855491     20.29647472     18.75046615      6.55756354
    C     12.19619896      7.28897851     18.72907043      4.06966696
    H     11.64369150      7.95596380     18.07196227      0.89810590
    C      6.43517310      6.46081395      2.81979159      3.28918836
    C      6.44865337      6.45729545      1.32227232      4.06782232
    C      6.40785317      6.47278043     10.15238522      3.28838840
    C      6.38804258      6.47622652     11.65079132      4.06774952
    C      2.75927398      6.48246600      6.48565090      3.28868558
    C      1.26154962      6.50321092      6.50011592      4.06812006
    C     10.09319898      6.47058390      6.49923829      3.31992977
    C     11.59877264      6.45688767      6.49403353      3.88242881
    C      6.42320884      2.80456043      6.48255019      3.28913864
    C      6.43560955      1.30684355      6.48292111      4.06783322
    C      6.41340777     10.13620291      6.48644140      3.28838741
    C      6.39677194     11.63446780      6.48835715      4.06778776
    C     19.36011493     19.50402001     23.21865218      3.28862353
    C     19.34474691     19.50537428     24.71549121      4.06896788
    C     19.38783547     19.49896507     15.88921248      3.28732607
    C     19.40684230     19.49520053     14.39187713      4.06936484
    C     19.37826588     15.83927921     19.55270566      3.28732243
    C     19.39258033     14.34202767     19.55263749      4.06935559
    C     19.37631897     23.16920137     19.55054262      3.28856526
    C     19.36272164     24.66621269     19.54925941      4.06901900
    C     15.69610959     19.50639198     19.54789414      3.28035565
    C     14.20642243     19.52522005     19.55955504      4.19887429
    C     23.04943979     19.48466049     19.54799135      3.28852076
    C     24.54647240     19.46038064     19.53058767      4.06884871
    H     13.29365637     17.20583404     17.30891904      0.75836038
    H     14.92647023     17.68546928     17.77638761      0.73772733
  107
Geometry Step: 93
   Zn      7.58734151      5.32281901      5.34315336     11.21132556
   Zn      5.27792317      7.61622238      5.32555742     11.20813662
   Zn      5.27056801      5.31664613      7.63042274     11.20798484
   Zn      7.58571918      7.62657003      7.64416283     11.20752160
   Zn     18.21337057     20.65196805     20.69642634     11.20749121
   Zn     20.53290144     18.35848449     20.71688440     11.20779196
   Zn     18.24430329     18.35538578     18.40360488     11.20873836
   Zn     20.54194776     20.66193089     18.40925722     11.20764608
    O      6.42678479      6.47701409      6.49210938      6.72580174
    O     19.38562724     19.50590528     19.55434494      6.72184114
    O      7.23558398      5.66216849      3.42150912      6.55609706
    C      7.15768029     18.76288686     13.75876176      4.06939838
    H      7.82078597     18.11254732     14.32368353      0.89717029
    O      5.62438600      7.26413870      3.40597765      6.55787779
    C     18.61935815      7.20345989     13.66972526      4.06967867
    H     17.94447257      7.85670741     14.21704962      0.89801927
    O      5.61362065      5.66380458      9.55266307      6.55826554
    C     18.58042933     18.63677902     12.28038654      4.06979532
    H     17.92655099     17.97715691     11.71522506      0.89786861
    O      7.21412914      7.27747728      9.56469316      6.55777540
    C      7.23691688      7.33291187     12.37108366      4.06909674
    H      7.90835676      7.99082973     11.82512700      0.89756920
    O      3.35506595      7.27623736      5.67510327      6.55788569
    C     13.58698175      7.26735425     18.71321252      4.06963886
    H     14.14530483      7.91593167     18.04277596      0.89790648
    O      3.34943428      5.67276438      7.28506236      6.55789362
    C     13.61202682     18.67379539      7.30172758      4.06963682
    H     14.16448734     18.00718837      7.95921605      0.89795276
    O      9.48920490      5.67062341      5.70604343      6.52041444
    N     12.02208319     18.73448411     18.78571983      5.35965112
    O      9.50793952      7.28619162      7.30204313      6.55788541
    C     12.33291947      7.31908947      7.33051840      4.16082556
    H     11.81105427      8.00660604      7.98911869      0.89330251
    O      5.61166677      3.39470348      7.28227105      6.55798664
    C     18.63547966     13.60322095      7.25970331      4.06964761
    H     17.95838263     14.15202398      7.90943552      0.89807947
    O      7.22464817      3.40336487      5.68214899      6.55611994
    C      7.14686527     13.76073486     18.77345818      4.06942553
    H      7.81208744     14.32431519     18.12419031      0.89714636
    O      5.62269988      9.53765397      5.67258502      6.55822434
    C     18.56332636     12.23183105     18.69579633      4.06983877
    H     17.91165269     11.66682077     18.03395337      0.89784204
    O      7.21350930      9.54718232      7.29600047      6.55785543
    C      7.24388739     12.35348633      7.34743323      4.06910484
    H      7.91054901     11.80641071      8.00934383      0.89755388
    O     18.55550940     20.30042079     22.61627320      6.55730954
    C     18.63501627      7.20091208     12.27876779      4.06968809
    H     17.97195186      7.85161778     11.71413662      0.89792320
    O     20.17523391     18.70648317     22.63226640      6.55728749
    C      7.17348667     18.76027165     12.36778357      4.06974015
    H      7.84852094     18.10692893     11.82064030      0.89827570
    O     18.57158910     18.70416545     16.47819064      6.56153920
    C     18.55835624     18.63945892     13.67142430      4.07006634
    H     17.88688226     17.98126858     14.21730025      0.90028810
    O     20.19187480     20.29790760     16.48996130      6.55737736
    C      7.21529621      7.33526854     13.76211854      4.06934166
    H      7.86982586      7.99467216     14.32677174      0.89776386
    O     20.17825849     16.43979264     20.35612326      6.55742863
    C      7.22701347     13.74458065      7.34584859      4.06934884
    H      7.87934454     14.30910689      8.00747310      0.89774926
    O     18.56952044     16.42899101     18.75078308      6.56159707
    C     18.54612941     13.62286992     18.69441798      4.07009266
    H     17.87965511     14.16974127     18.03195166      0.90027535
    O     18.57145188     22.56930696     20.34847359      6.55740897
    C     18.65062759     12.21218017      7.25963022      4.06972586
    H     17.98532183     11.64874640      7.90905171      0.89794128
    O     20.19138855     22.57966547     18.75468569      6.55735529
    C      7.16222674     12.36972712     18.77338771      4.06973331
    H      7.83949991     11.82113475     18.12359082      0.89832727
    O     16.30857913     18.69109128     18.75128105      6.59737436
    C     13.38157676     18.68143007     18.74099968      3.62649093
    N     13.91839639     17.76915467     17.86701269      5.42641318
    O     16.29923867     20.31140831     20.33949265      6.55474485
    C     13.72150635      7.26616334      7.28645930      4.03484459
    H     14.32499035      7.91564404      7.91615400      0.89466046
    O     22.45274326     18.69248107     20.35961265      6.55746927
    C     12.22113929     18.69583344      7.31744211      4.06964686
    H     11.66288437     18.04728160      7.98798604      0.89809889
    O     22.45965285     20.29700210     18.75067402      6.55753490
    C     12.19613417      7.28950910     18.72886832      4.06967267
    H     11.64372408      7.95623306     18.07146865      0.89810269
    C      6.43501014      6.46148047      2.81979177      3.28917705
    C      6.44840332      6.45797651      1.32228339      4.06782497
    C      6.40720977      6.47297718     10.15200576      3.28839562
    C      6.38753677      6.47654119     11.65036363      4.06774192
    C      2.75832976      6.48218385      6.48561267      3.28869931
    C      1.26058944      6.50282468      6.50000966      4.06810329
    C     10.09345100      6.46968050      6.49926527      3.31991289
    C     11.59890097      6.45629295      6.49403657      3.88241303
    C      6.42290160      2.80499979      6.48274726      3.28913598
    C      6.43520205      1.30727889      6.48346076      4.06783647
    C      6.41256263     10.13558709      6.48641999      3.28837726
    C      6.39630175     11.63378871      6.48851135      4.06779761
    C     19.35947157     19.50410123     23.21841521      3.28862538
    C     19.34429513     19.50575865     24.71520765      4.06896753
    C     19.38931723     19.49947858     15.88963016      3.28731650
    C     19.40792410     19.49576386     14.39233695      4.06935994
    C     19.37959613     15.83998688     19.55343017      3.28732960
    C     19.39376957     14.34280706     19.55334146      4.06934757
    C     19.37620067     23.16865553     19.55092345      3.28854922
    C     19.36255871     24.66563843     19.54977439      4.06903504
    C     15.69583466     19.50455593     19.54704655      3.28039932
    C     14.20608782     19.52363439     19.55862149      4.19886443
    C     23.05052422     19.48504587     19.54806509      3.28853841
    C     24.54756657     19.46096337     19.53111285      4.06882501
    H     13.29324390     17.20520054     17.30693678      0.75835286
    H     14.92615247     17.68517732     17.77407000      0.73772613
  107
Geometry Step: 94
   Zn      7.58737364      5.32272681      5.34308712     11.21132320
   Zn      5.27790410      7.61622471      5.32550960     11.20813900
   Zn      5.27054149      5.31657033      7.63041080     11.20798552
   Zn      7.58570189      7.62656534      7.64414909     11.20752931
   Zn     18.21330235     20.65191977     20.69638985     11.20749542
   Zn     20.53291107     18.35844005     20.71692314     11.20778610
   Zn     18.24434116     18.35534091     18.40361395     11.20874595
   Zn     20.54198971     20.66197832     18.40925657     11.20763358
    O      6.42672001      6.47687976      6.49207206      6.72583682
    O     19.38568234     19.50594987     19.55435808      6.72185635
    O      7.23558858      5.66219719      3.42152840      6.55608798
    C      7.15768393     18.76290058     13.75877122      4.06939920
    H      7.82077202     18.11251639     14.32367251      0.89717425
    O      5.62435531      7.26413762      3.40601538      6.55785531
    C     18.61939459      7.20348854     13.66977012      4.06967415
    H     17.94445277      7.85671357     14.21705157      0.89802574
    O      5.61359570      5.66383741      9.55265395      6.55826287
    C     18.58048176     18.63678453     12.28038248      4.06978950
    H     17.92653768     17.97717079     11.71530921      0.89787518
    O      7.21420114      7.27746316      9.56470967      6.55777254
    C      7.23687936      7.33295245     12.37105425      4.06909939
    H      7.90836233      7.99081452     11.82505279      0.89756802
    O      3.35503985      7.27623413      5.67511268      6.55789592
    C     13.58697531      7.26732783     18.71323525      4.06964123
    H     14.14533221      7.91590181     18.04286043      0.89790631
    O      3.34942954      5.67280836      7.28508509      6.55789880
    C     13.61203082     18.67381136      7.30168517      4.06963582
    H     14.16448999     18.00725631      7.95919289      0.89795420
    O      9.48906629      5.67063832      5.70606296      6.52041263
    N     12.02205727     18.73443705     18.78571773      5.35966591
    O      9.50795779      7.28616011      7.30201370      6.55789518
    C     12.33286491      7.31911255      7.33035775      4.16079760
    H     11.81115323      8.00640293      7.98914378      0.89330093
    O      5.61163547      3.39468919      7.28230285      6.55796524
    C     18.63547246     13.60327684      7.25968925      4.06964397
    H     17.95836490     14.15200616      7.90948835      0.89808455
    O      7.22464869      3.40332463      5.68214880      6.55611489
    C      7.14686896     13.76074113     18.77343893      4.06942801
    H      7.81211712     14.32429886     18.12414539      0.89714769
    O      5.62268847      9.53762901      5.67263491      6.55821013
    C     18.56335291     12.23183737     18.69578211      4.06983106
    H     17.91159237     11.66691052     18.03395139      0.89784714
    O      7.21355201      9.54716321      7.29602604      6.55783745
    C      7.24385851     12.35345644      7.34743450      4.06910392
    H      7.91052360     11.80639913      8.00938090      0.89755556
    O     18.55549079     20.30041185     22.61626216      6.55730938
    C     18.63497504      7.20088073     12.27880844      4.06969283
    H     17.97198653      7.85164211     11.71415754      0.89792375
    O     20.17525639     18.70654625     22.63226339      6.55728504
    C      7.17341458     18.76023488     12.36778568      4.06973610
    H      7.84853208     18.10696623     11.82064932      0.89828139
    O     18.57154608     18.70417814     16.47814490      6.56154717
    C     18.55841263     18.63944494     13.67142285      4.07007278
    H     17.88691468     17.98129992     14.21734745      0.90028847
    O     20.19186333     20.29791153     16.48997637      6.55737701
    C      7.21525339      7.33528685     13.76209763      4.06934083
    H      7.86981147      7.99463097     14.32676963      0.89777010
    O     20.17827192     16.43979148     20.35613155      6.55741106
    C      7.22697637     13.74455822      7.34589888      4.06934512
    H      7.87939652     14.30907673      8.00744793      0.89775190
    O     18.56955369     16.42898156     18.75074851      6.56157771
    C     18.54614595     13.62288268     18.69445290      4.07009618
    H     17.87970178     14.16974906     18.03192136      0.90027846
    O     18.57141583     22.56935576     20.34849954      6.55742504
    C     18.65062460     12.21223570      7.25964478      4.06973184
    H     17.98532845     11.64879971      7.90908540      0.89793985
    O     20.19137728     22.57967790     18.75471667      6.55735412
    C      7.16222649     12.36972630     18.77340658      4.06973110
    H      7.83949487     11.82114276     18.12357863      0.89833357
    O     16.30863921     18.69116197     18.75126588      6.59734799
    C     13.38155200     18.68138361     18.74102225      3.62648281
    N     13.91845914     17.76915476     17.86699018      5.42644525
    O     16.29921359     20.31144695     20.33953237      6.55472386
    C     13.72143922      7.26617656      7.28642011      4.03485725
    H     14.32505362      7.91561348      7.91610168      0.89465776
    O     22.45278440     18.69250720     20.35964154      6.55748532
    C     12.22115705     18.69586550      7.31742165      4.06965079
    H     11.66286474     18.04731358      7.98790274      0.89809736
    O     22.45967444     20.29697946     18.75069461      6.55754240
    C     12.19613902      7.28950495     18.72890676      4.06967319
    H     11.64371473      7.95617409     18.07148606      0.89810375
    C      6.43504741      6.46155331      2.81984143      3.28917597
    C      6.44841137      6.45804093      1.32234020      4.06782951
    C      6.40720475      6.47299781     10.15197274      3.28839523
    C      6.38751056      6.47656408     11.65034268      4.06774335
    C      2.75830484      6.48219817      6.48563067      3.28869091
    C      1.26056451      6.50278876      6.49996805      4.06810469
    C     10.09341561      6.46966471      6.49920761      3.31989499
    C     11.59880665      6.45631446      6.49397828      3.88240956
    C      6.42291567      2.80502780      6.48280465      3.28913534
    C      6.43518341      1.30733097      6.48347826      4.06783882
    C      6.41262964     10.13554273      6.48639574      3.28838444
    C      6.39634409     11.63377013      6.48842702      4.06779602
    C     19.35944487     19.50409996     23.21840575      3.28861716
    C     19.34429245     19.50573226     24.71520090      4.06897053
    C     19.38931109     19.49949228     15.88963310      3.28731316
    C     19.40795632     19.49577242     14.39232420      4.06936649
    C     19.37959146     15.83999850     19.55345122      3.28733788
    C     19.39376071     14.34279990     19.55342133      4.06935235
    C     19.37614209     23.16866546     19.55089626      3.28854097
    C     19.36256582     24.66564170     19.54975911      4.06903609
    C     15.69586598     19.50464465     19.54697323      3.28040942
    C     14.20607071     19.52351908     19.55868941      4.19886579
    C     23.05057268     19.48504993     19.54808313      3.28852796
    C     24.54760928     19.46101031     19.53116052      4.06882703
    H     13.29324099     17.20525722     17.30693997      0.75835731
    H     14.92622784     17.68508512     17.77400792      0.73772094
  107
Geometry Step: 95
   Zn      7.58738813      5.32245011      5.34288938     11.21132138
   Zn      5.27788285      7.61619205      5.32538802     11.20815139
   Zn      5.27045006      5.31629881      7.63040246     11.20798785
   Zn      7.58562487      7.62648100      7.64406937     11.20756344
   Zn     18.21317990     20.65175425     20.69624033     11.20750369
   Zn     20.53295978     18.35828231     20.71703721     11.20777496
   Zn     18.24451708     18.35521002     18.40359492     11.20876177
   Zn     20.54215265     20.66212704     18.40921302     11.20759827
    O      6.42650853      6.47646589      6.49196887      6.72592230
    O     19.38590216     19.50602965     19.55435737      6.72189603
    O      7.23559930      5.66231669      3.42158195      6.55606692
    C      7.15767950     18.76296461     13.75880045      4.06940454
    H      7.82070320     18.11245441     14.32365339      0.89718253
    O      5.62429572      7.26416764      3.40610732      6.55779788
    C     18.61949837      7.20357519     13.66991767      4.06966181
    H     17.94440012      7.85675028     14.21707764      0.89804316
    O      5.61350819      5.66397004      9.55258366      6.55824966
    C     18.58063780     18.63679846     12.28038070      4.06977565
    H     17.92650458     17.97723341     11.71559216      0.89788636
    O      7.21443726      7.27740530      9.56473957      6.55775795
    C      7.23674445      7.33307223     12.37097581      4.06910099
    H      7.90836248      7.99075499     11.82482332      0.89756492
    O      3.35496724      7.27630057      5.67512987      6.55791376
    C     13.58697132      7.26721920     18.71334703      4.06964351
    H     14.14540375      7.91583763     18.04310405      0.89791179
    O      3.34936940      5.67294527      7.28522830      6.55790730
    C     13.61204836     18.67387197      7.30155330      4.06963428
    H     14.16447236     18.00742550      7.95916960      0.89796140
    O      9.48862258      5.67061258      5.70610611      6.52038683
    N     12.02208225     18.73431095     18.78562326      5.35975406
    O      9.50798574      7.28612364      7.30201225      6.55787451
    C     12.33269489      7.31914306      7.32989470      4.16074540
    H     11.81133485      8.00579437      7.98923304      0.89329631
    O      5.61158800      3.39462659      7.28242498      6.55791485
    C     18.63547930     13.60345690      7.25967358      4.06964108
    H     17.95831772     14.15199565      7.90964397      0.89809803
    O      7.22465203      3.40321303      5.68222394      6.55610858
    C      7.14689056     13.76076307     18.77342015      4.06942857
    H      7.81218571     14.32427003     18.12401750      0.89714934
    O      5.62267788      9.53749336      5.67281310      6.55817368
    C     18.56344665     12.23184615     18.69572270      4.06980605
    H     17.91142566     11.66722634     18.03393143      0.89785666
    O      7.21369862      9.54712670      7.29610822      6.55779611
    C      7.24378194     12.35340638      7.34741318      4.06910361
    H      7.91042039     11.80635641      8.00945994      0.89755921
    O     18.55539292     20.30039307     22.61623775      6.55730737
    C     18.63487351      7.20077446     12.27894066      4.06970140
    H     17.97207903      7.85170939     11.71425531      0.89792502
    O     20.17529838     18.70673923     22.63224228      6.55728875
    C      7.17321385     18.76013215     12.36779346      4.06972272
    H      7.84858075     18.10703756     11.82072955      0.89829962
    O     18.57140759     18.70419293     16.47798794      6.56155750
    C     18.55860544     18.63941363     13.67141424      4.07008857
    H     17.88705284     17.98141209     14.21753141      0.90028914
    O     20.19180774     20.29792097     16.49004454      6.55736768
    C      7.21512366      7.33535351     13.76202828      4.06934105
    H      7.86976055      7.99447766     14.32673691      0.89777816
    O     20.17829344     16.43980912     20.35614907      6.55735319
    C      7.22685981     13.74451348      7.34605451      4.06933659
    H      7.87954112     14.30894844      8.00737175      0.89775456
    O     18.56964849     16.42891806     18.75062869      6.56153523
    C     18.54619742     13.62289709     18.69457332      4.07010762
    H     17.87988751     14.16982752     18.03186715      0.90028554
    O     18.57126390     22.56951780     20.34855407      6.55746305
    C     18.65060757     12.21241482      7.25964616      4.06973807
    H     17.98534112     11.64899748      7.90920937      0.89793688
    O     20.19126132     22.57968998     18.75480311      6.55737366
    C      7.16220146     12.36972855     18.77342728      4.06972495
    H      7.83949666     11.82119542     18.12351885      0.89835095
    O     16.30883517     18.69149024     18.75120616      6.59733882
    C     13.38160221     18.68116620     18.74105279      3.62645040
    N     13.91868733     17.76914780     17.86690603      5.42644092
    O     16.29915790     20.31163661     20.33963695      6.55464527
    C     13.72125877      7.26613413      7.28628227      4.03489216
    H     14.32516184      7.91553442      7.91588514      0.89466235
    O     22.45292551     18.69251468     20.35976155      6.55751351
    C     12.22118236     18.69599126      7.31731649      4.06966078
    H     11.66278468     18.04739601      7.98765743      0.89809986
    O     22.45979159     20.29692806     18.75069303      6.55755433
    C     12.19613551      7.28947687     18.72902942      4.06967614
    H     11.64367141      7.95602093     18.07151051      0.89810818
    C      6.43515476      6.46177780      2.81993454      3.28917870
    C      6.44846982      6.45825493      1.32246030      4.06783387
    C      6.40721361      6.47304129     10.15186923      3.28840243
    C      6.38741133      6.47662566     11.65029364      4.06775034
    C      2.75828430      6.48226069      6.48568528      3.28867538
    C      1.26054205      6.50268450      6.49985613      4.06810955
    C     10.09320061      6.46965197      6.49903085      3.31988577
    C     11.59856727      6.45634495      6.49371836      3.88239226
    C      6.42294885      2.80503662      6.48298182      3.28913040
    C      6.43513583      1.30743763      6.48350409      4.06783736
    C      6.41281778     10.13542345      6.48634690      3.28841051
    C      6.39646065     11.63374399      6.48817407      4.06779195
    C     19.35933375     19.50410556     23.21841038      3.28860574
    C     19.34424911     19.50563029     24.71523045      4.06896738
    C     19.38927053     19.49955095     15.88962920      3.28731282
    C     19.40805760     19.49583043     14.39227206      4.06938748
    C     19.37958178     15.84000935     19.55352032      3.28736445
    C     19.39373855     14.34275589     19.55366947      4.06936419
    C     19.37595090     23.16874421     19.55085187      3.28851862
    C     19.36257367     24.66570238     19.54972556      4.06902864
    C     15.69595318     19.50490786     19.54687971      3.28043057
    C     14.20603882     19.52310770     19.55891814      4.19887360
    C     23.05066230     19.48505193     19.54815569      3.28850749
    C     24.54767619     19.46115255     19.53129700      4.06883435
    H     13.29332001     17.20544849     17.30697917      0.75837836
    H     14.92641141     17.68477071     17.77378672      0.73771941
  107
Geometry Step: 96
   Zn      7.58733090      5.32229124      5.34274128     11.21132504
   Zn      5.27788061      7.61616717      5.32532689     11.20816009
   Zn      5.27035162      5.31611749      7.63042384     11.20798369
   Zn      7.58559459      7.62637170      7.64396836     11.20758036
   Zn     18.21321077     20.65163224     20.69613409     11.20750691
   Zn     20.53300971     18.35818959     20.71708571     11.20776854
   Zn     18.24465985     18.35516880     18.40358196     11.20875927
   Zn     20.54230655     20.66222959     18.40914170     11.20757843
    O      6.42636188      6.47623021      6.49189719      6.72596458
    O     19.38610235     19.50604985     19.55431181      6.72190873
    O      7.23562810      5.66244497      3.42158572      6.55605544
    C      7.15765490     18.76299873     13.75879021      4.06941148
    H      7.82062693     18.11246925     14.32365706      0.89718652
    O      5.62427726      7.26423779      3.40611056      6.55777090
    C     18.61950725      7.20367095     13.67004935      4.06966175
    H     17.94438122      7.85686141     14.21714441      0.89804413
    O      5.61337563      5.66410438      9.55252354      6.55824481
    C     18.58070944     18.63685186     12.28040335      4.06976657
    H     17.92651211     17.97729184     11.71574657      0.89788819
    O      7.21457172      7.27730862      9.56471568      6.55775496
    C      7.23665477      7.33313105     12.37092400      4.06910515
    H      7.90831398      7.99074224     11.82472060      0.89755979
    O      3.35492692      7.27637159      5.67515531      6.55791756
    C     13.58696427      7.26715559     18.71344286      4.06964551
    H     14.14538510      7.91583584     18.04325950      0.89791613
    O      3.34929090      5.67305244      7.28537561      6.55791157
    C     13.61206372     18.67392114      7.30151724      4.06963304
    H     14.16441069     18.00748682      7.95920314      0.89796302
    O      9.48840767      5.67052471      5.70608600      6.52035223
    N     12.02214481     18.73421160     18.78542018      5.35979128
    O      9.50797072      7.28610737      7.30200654      6.55783925
    C     12.33262546      7.31901616      7.32973429      4.16074182
    H     11.81129818      8.00542349      7.98927295      0.89329711
    O      5.61158295      3.39458816      7.28250085      6.55789565
    C     18.63549302     13.60359606      7.25975014      4.06964635
    H     17.95831165     14.15206368      7.90976781      0.89810210
    O      7.22466835      3.40312339      5.68230600      6.55610681
    C      7.14688835     13.76074094     18.77342360      4.06943163
    H      7.81219736     14.32424836     18.12401205      0.89714511
    O      5.62263636      9.53739498      5.67290597      6.55815558
    C     18.56351327     12.23184338     18.69571058      4.06978986
    H     17.91139218     11.66738922     18.03389978      0.89785983
    O      7.21375726      9.54708002      7.29609749      6.55778758
    C      7.24374346     12.35337434      7.34739136      4.06910953
    H      7.91032099     11.80630595      8.00948564      0.89755663
    O     18.55522669     20.30033606     22.61625241      6.55730631
    C     18.63481913      7.20076423     12.27907361      4.06970464
    H     17.97208358      7.85173873     11.71438669      0.89792658
    O     20.17533102     18.70690879     22.63225069      6.55729702
    C      7.17314154     18.76007762     12.36778292      4.06971242
    H      7.84859661     18.10699192     11.82083295      0.89830426
    O     18.57140632     18.70424992     16.47793444      6.56155330
    C     18.55872813     18.63942283     13.67142857      4.07009790
    H     17.88720317     17.98147413     14.21765682      0.90028548
    O     20.19183425     20.29797057     16.49007772      6.55736213
    C      7.21505996      7.33536761     13.76196946      4.06934026
    H      7.86970887      7.99439949     14.32669308      0.89777836
    O     20.17833672     16.43983941     20.35618302      6.55732667
    C      7.22681243     13.74447783      7.34612823      4.06932862
    H      7.87959243     14.30883224      8.00738389      0.89775677
    O     18.56976581     16.42888026     18.75058761      6.56151834
    C     18.54625547     13.62289362     18.69466826      4.07011814
    H     17.88005324     14.16990903     18.03191517      0.90028448
    O     18.57113818     22.56961348     20.34855277      6.55748348
    C     18.65058019     12.21255934      7.25968250      4.06973699
    H     17.98531061     11.64917374      7.90929054      0.89793194
    O     20.19116294     22.57970226     18.75484472      6.55738862
    C      7.16214918     12.36970663     18.77339368      4.06972074
    H      7.83946891     11.82123643     18.12345784      0.89835803
    O     16.30893348     18.69170798     18.75113564      6.59736170
    C     13.38168567     18.68098087     18.74104546      3.62643287
    N     13.91881270     17.76909646     17.86682579      5.42640122
    O     16.29916485     20.31171096     20.33967349      6.55463506
    C     13.72119073      7.26604809      7.28620406      4.03490820
    H     14.32510881      7.91555806      7.91566750      0.89465718
    O     22.45301284     18.69251904     20.35982792      6.55752346
    C     12.22120365     18.69606460      7.31724514      4.06966678
    H     11.66277559     18.04742076      7.98751242      0.89810262
    O     22.45992721     20.29691731     18.75064342      6.55755734
    C     12.19613196      7.28944044     18.72908715      4.06968049
    H     11.64367073      7.95594781     18.07152469      0.89810733
    C      6.43521727      6.46194087      2.81994046      3.28918484
    C      6.44851990      6.45842739      1.32247276      4.06783905
    C      6.40720914      6.47304505     10.15180977      3.28840747
    C      6.38733813      6.47663773     11.65026008      4.06775538
    C      2.75827748      6.48232139      6.48573050      3.28867123
    C      1.26052991      6.50263231      6.49981494      4.06811235
    C     10.09302750      6.46963589      6.49889206      3.31990545
    C     11.59848576      6.45628421      6.49350521      3.88239509
    C      6.42295578      2.80499424      6.48308001      3.28912927
    C      6.43510319      1.30744037      6.48354263      4.06784093
    C      6.41286750     10.13536004      6.48631878      3.28842299
    C      6.39650027     11.63372210      6.48803976      4.06778874
    C     19.35923675     19.50411978     23.21844646      3.28860650
    C     19.34419408     19.50556878     24.71531526      4.06896114
    C     19.38928245     19.49963691     15.88962818      3.28731363
    C     19.40812807     19.49591578     14.39225420      4.06939651
    C     19.37964080     15.84000159     19.55356465      3.28737501
    C     19.39378448     14.34272585     19.55381455      4.06936938
    C     19.37584815     23.16881589     19.55084418      3.28850994
    C     19.36255190     24.66579133     19.54971874      4.06901842
    C     15.69598003     19.50501181     19.54685260      3.28042677
    C     14.20605961     19.52283837     19.55902534      4.19887282
    C     23.05071635     19.48506454     19.54819528      3.28849979
    C     24.54771888     19.46123029     19.53137786      4.06883925
    H     13.29339301     17.20552211     17.30689733      0.75839275
    H     14.92649606     17.68455775     17.77361361      0.73772904
