data_generated
_cell_length_a               69.25605
_cell_length_b               77.44122
_cell_length_c               28.56070
_cell_angle_alpha            90.00000
_cell_angle_beta             90.00000
_cell_angle_gamma            90.000
_symmetry_cell_setting                   'cubic'
_symmetry_space_group_name_H-M    'P 1'
_symmetry_Int_Tables_number      1
_space_group_name_H-M_alt    'P 1'
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 H1       H    -1.81038   -1.25789   0.42663   
 H2       H    -1.80093   -1.23273   0.40396   
 H3       H    -1.80987   -1.22334   0.35978   
 O4       O    -1.80001   -1.22205   0.38348   
 O5       O    -1.79922   -1.25082   0.43253   
 H6       H    -2.31038   -0.75789   0.42663   
 H7       H    -2.30093   -0.73273   0.40396   
 H8       H    -2.30987   -0.72334   0.35978   
 O9       O    -2.30001   -0.72205   0.38348   
 O10      O    -2.29922   -0.75082   0.43253   
 C11      C    -2.67702   -0.92705   0.49128   
 C12      C    -2.68243   -0.91545   0.52662   
 C13      C    -2.67389   -0.89904   0.52778   
 C14      C    -2.66039   -0.89426   0.49402   
 C15      C    -2.65489   -0.90579   0.45830   
 C16      C    -2.66341   -0.92231   0.45781   
 C17      C    -2.67676   -0.80470   0.29164   
 C18      C    -2.68243   -0.79892   0.33614   
 C19      C    -2.67320   -0.80577   0.37574   
 C20      C    -2.65907   -0.81841   0.37105   
 C21      C    -2.65357   -0.82457   0.32656   
 C22      C    -2.66251   -0.81725   0.28699   
 C23      C    -2.69780   -0.92030   0.56066   
 C24      C    -2.69836   -0.78603   0.34032   
 C25      C    -2.58226   -0.83118   0.17610   
 C26      C    -2.56284   -0.83237   0.18978   
 C27      C    -2.55849   -0.83771   0.23553   
 C28      C    -2.57321   -0.84211   0.26648   
 C29      C    -2.59272   -0.84138   0.25268   
 C30      C    -2.59694   -0.83556   0.20713   
 C31      C    -2.58177   -0.95213   0.37293   
 C32      C    -2.56246   -0.94694   0.37747   
 C33      C    -2.55834   -0.92947   0.38580   
 C34      C    -2.57318   -0.91740   0.38840   
 C35      C    -2.59260   -0.92244   0.38295   
 C36      C    -2.59660   -0.94007   0.37583   
 C37      C    -2.54673   -0.95998   0.37321   
 C38      C    -2.54704   -0.82835   0.15618   
 C39      C    -2.63880   -0.83670   0.32268   
 C40      C    -2.63781   -0.85250   0.34967   
 C41      C    -2.65307   -0.85803   0.37676   
 C42      C    -2.62366   -0.83412   0.28978   
 C43      C    -2.62231   -0.86424   0.34573   
 C44      C    -2.60736   -0.91022   0.39144   
 C45      C    -2.60750   -0.89374   0.36751   
 C46      C    -2.59434   -0.88989   0.33287   
 C47      C    -2.62370   -0.91377   0.41998   
 C48      C    -2.62232   -0.88147   0.37389   
 C49      C    -2.63884   -0.90184   0.42916   
 C50      C    -2.63783   -0.88566   0.40387   
 C51      C    -2.65308   -0.87424   0.40327   
 C52      C    -2.60732   -0.84509   0.28496   
 C53      C    -2.60748   -0.86059   0.31331   
 C54      C    -2.59433   -0.87368   0.30637   
 H55      H    -2.68375   -0.93969   0.49042   
 H56      H    -2.67827   -0.89003   0.55495   
 H57      H    -2.65406   -0.88142   0.49528   
 H58      H    -2.65941   -0.93147   0.43068   
 H59      H    -2.68383   -0.79928   0.26111   
 H60      H    -2.67762   -0.80130   0.41022   
 H61      H    -2.65229   -0.82371   0.40224   
 H62      H    -2.65839   -0.82162   0.25218   
 H63      H    -2.58551   -0.82690   0.14074   
 H64      H    -2.54347   -0.83837   0.24620   
 H65      H    -2.56958   -0.84632   0.30173   
 H66      H    -2.61190   -0.83463   0.19583   
 H67      H    -2.58484   -0.96570   0.36682   
 H68      H    -2.54338   -0.92557   0.39015   
 H69      H    -2.56970   -0.90392   0.39464   
 H70      H    -2.61149   -0.94428   0.37198   
 H71      H    -2.62389   -0.82250   0.26964   
 H72      H    -2.58441   -0.89931   0.32150   
 H73      H    -2.66621   -0.85119   0.37653   
 H74      H    -2.62394   -0.92576   0.43845   
 H75      H    -2.58440   -0.87299   0.27847   
 H76      H    -2.66622   -0.87751   0.41956   
 O77      O    -2.70703   -0.78206   0.30260   
 O78      O    -2.70596   -0.93479   0.55435   
 O79      O    -2.70189   -0.90955   0.59282   
 O80      O    -2.70241   -0.78026   0.38073   
 O81      O    -2.52977   -0.83007   0.17048   
 O82      O    -2.55210   -0.82350   0.11555   
 O83      O    -2.55195   -0.97557   0.36778   
 O84      O    -2.52939   -0.95466   0.37535   
 C85      C    -2.32315   -0.92689   0.49115   
 C86      C    -2.31746   -0.91512   0.52586   
 C87      C    -2.32661   -0.89898   0.52793   
 C88      C    -2.34072   -0.89454   0.49541   
 C89      C    -2.34624   -0.90615   0.45981   
 C90      C    -2.33733   -0.92247   0.45882   
 C91      C    -2.32328   -0.80463   0.29092   
 C92      C    -2.31784   -0.79858   0.33532   
 C93      C    -2.32651   -0.80585   0.37511   
 C94      C    -2.34003   -0.81906   0.37060   
 C95      C    -2.34547   -0.82532   0.32624   
 C96      C    -2.33690   -0.81774   0.28649   
 C97      C    -2.30162   -0.91985   0.55889   
 C98      C    -2.30239   -0.78528   0.33971   
 C99      C    -2.41810   -0.83011   0.17764   
 C100     C    -2.43745   -0.83096   0.19205   
 C101     C    -2.44159   -0.83648   0.23774   
 C102     C    -2.42681   -0.84145   0.26788   
 C103     C    -2.40736   -0.84098   0.25340   
 C104     C    -2.40333   -0.83498   0.20793   
 C105     C    -2.41795   -0.95238   0.37782   
 C106     C    -2.43727   -0.94733   0.38337   
 C107     C    -2.44149   -0.92977   0.38984   
 C108     C    -2.42675   -0.91753   0.38996   
 C109     C    -2.40731   -0.92245   0.38405   
 C110     C    -2.40324   -0.94014   0.37833   
 C111     C    -2.45308   -0.82638   0.15833   
 C112     C    -2.45300   -0.96043   0.37988   
 C113     C    -2.39263   -0.84509   0.28496   
 C114     C    -2.39250   -0.86059   0.31328   
 C115     C    -2.40563   -0.87368   0.30636   
 C116     C    -2.37630   -0.83413   0.28977   
 C117     C    -2.37768   -0.86423   0.34574   
 C118     C    -2.36122   -0.90184   0.42916   
 C119     C    -2.36219   -0.88566   0.40385   
 C120     C    -2.34696   -0.87424   0.40325   
 C121     C    -2.37633   -0.91377   0.41999   
 C122     C    -2.37770   -0.88147   0.37389   
 C123     C    -2.39267   -0.91022   0.39144   
 C124     C    -2.39251   -0.89375   0.36748   
 C125     C    -2.40564   -0.88990   0.33286   
 C126     C    -2.36118   -0.83670   0.32268   
 C127     C    -2.36217   -0.85251   0.34965   
 C128     C    -2.34695   -0.85803   0.37675   
 H129     H    -2.31610   -0.93941   0.48980   
 H130     H    -2.32215   -0.88987   0.55484   
 H131     H    -2.34745   -0.88188   0.49733   
 H132     H    -2.34147   -0.93174   0.43204   
 H133     H    -2.31650   -0.79900   0.26026   
 H134     H    -2.32216   -0.80124   0.40947   
 H135     H    -2.34640   -0.82464   0.40193   
 H136     H    -2.34088   -0.82228   0.25179   
 H137     H    -2.41495   -0.82575   0.14233   
 H138     H    -2.45658   -0.83715   0.24879   
 H139     H    -2.43037   -0.84589   0.30293   
 H140     H    -2.38842   -0.83432   0.19600   
 H141     H    -2.41478   -0.96597   0.37270   
 H142     H    -2.45645   -0.92588   0.39374   
 H143     H    -2.43034   -0.90398   0.39450   
 H144     H    -2.38835   -0.94431   0.37389   
 H145     H    -2.33382   -0.87751   0.41955   
 H146     H    -2.37607   -0.82250   0.26964   
 H147     H    -2.37612   -0.92577   0.43845   
 H148     H    -2.41555   -0.87299   0.27848   
 H149     H    -2.33381   -0.85119   0.37652   
 H150     H    -2.41556   -0.89931   0.32151   
 O151     O    -2.29413   -0.78061   0.30205   
 O152     O    -2.29761   -0.90938   0.59167   
 O153     O    -2.29300   -0.93404   0.55091   
 O154     O    -2.29828   -0.77986   0.38052   
 O155     O    -2.44794   -0.97573   0.36970   
 O156     O    -2.47035   -0.82625   0.17321   
 O157     O    -2.44786   -0.82327   0.11651   
 O158     O    -2.47024   -0.95534   0.38633   
 H159     H    -2.73536   -0.91280   0.54810   
 O160     O    -2.73923   -0.91822   0.57700   
 H161     H    -2.69016   -0.75935   0.41878   
 H162     H    -2.69911   -0.74054   0.41691   
 H163     H    -2.68963   -0.72136   0.36728   
 O164     O    -2.70082   -0.72278   0.38692   
 O165     O    -2.70001   -0.75221   0.43288   
 H166     H    -2.79975   -0.97057   0.59446   
 H167     H    -2.80067   -0.94314   0.58199   
 H168     H    -2.79632   -0.93498   0.53231   
 O169     O    -2.79927   -0.93185   0.56425   
 O170     O    -2.79950   -0.96046   0.61402   
 H171     H    -2.73650   -0.79319   0.35061   
 O172     O    -2.74070   -0.78132   0.35067   
 H173     H    -2.26357   -0.91313   0.54662   
 O174     O    -2.25939   -0.91864   0.57513   
 H175     H    -2.26471   -0.79288   0.35199   
 O176     O    -2.26084   -0.78092   0.35249   
 Zr177    Zr   -2.72633   -0.90837   0.64655   
 Zr178    Zr   -2.77333   -0.77538   0.35203   
 Zr179    Zr   -2.22674   -0.92092   0.59009   
 Zr180    Zr   -2.27377   -0.76283   0.40848   
 Zr181    Zr   -2.49955   -0.96852   0.37567   
 Zr182    Zr   -2.46371   -0.99993   0.35006   
 O183     O    -2.76084   -0.94388   0.59934   
 O184     O    -2.27619   -0.93406   0.64351   
 C185     C    -2.74139   -1.12738   0.71385   
 C186     C    -2.75506   -1.11773   0.73898   
 C187     C    -2.76834   -1.10757   0.71415   
 C188     C    -2.76767   -1.10672   0.66550   
 C189     C    -2.75373   -1.11608   0.64001   
 C190     C    -2.74081   -1.12658   0.66519   
 C191     C    -2.74132   -1.00517   0.51337   
 C192     C    -2.75521   -1.00136   0.54765   
 C193     C    -2.76807   -1.01437   0.56163   
 C194     C    -2.76687   -1.03086   0.54241   
 C195     C    -2.75287   -1.03485   0.50827   
 C196     C    -2.74024   -1.02161   0.49396   
 C197     C    -2.75487   -1.11819   0.79122   
 C198     C    -2.75546   -0.98402   0.57024   
 C199     C    -2.74004   -1.17761   0.48469   
 C200     C    -2.75333   -1.18131   0.44899   
 C201     C    -2.76682   -1.16866   0.43608   
 C202     C    -2.76673   -1.15257   0.45774   
 C203     C    -2.75314   -1.14858   0.49279   
 C204     C    -2.74002   -1.16152   0.50630   
 C205     C    -2.73997   -1.05709   0.28590   
 C206     C    -2.75361   -1.06682   0.26094   
 C207     C    -2.76696   -1.07691   0.28579   
 C208     C    -2.76638   -1.07759   0.33445   
 C209     C    -2.75248   -1.06812   0.35978   
 C210     C    -2.73950   -1.05768   0.33458   
 C211     C    -2.75363   -1.06633   0.20874   
 C212     C    -2.75296   -1.19826   0.42444   
 C213     C    -2.75386   -1.06749   0.40905   
 C214     C    -2.75471   -1.08318   0.43657   
 C215     C    -2.75262   -1.09922   0.41637   
 C216     C    -2.75267   -1.05186   0.43490   
 C217     C    -2.75542   -1.08306   0.48593   
 C218     C    -2.75392   -1.11586   0.59098   
 C219     C    -2.75476   -1.10017   0.56348   
 C220     C    -2.75267   -1.08413   0.58366   
 C221     C    -2.75269   -1.13150   0.56512   
 C222     C    -2.75543   -1.10029   0.51409   
 C223     C    -2.75389   -1.13263   0.51553   
 C224     C    -2.75473   -1.11633   0.49077   
 C225     C    -2.75263   -1.11543   0.44287   
 C226     C    -2.75389   -1.05072   0.48449   
 C227     C    -2.75474   -1.06701   0.50928   
 C228     C    -2.75267   -1.06792   0.55716   
 H229     H    -2.73120   -1.13529   0.73316   
 H230     H    -2.77889   -1.10010   0.73372   
 H231     H    -2.77793   -1.09859   0.64704   
 H232     H    -2.73005   -1.13409   0.64635   
 H233     H    -2.73136   -0.99507   0.50279   
 H234     H    -2.77872   -1.01144   0.58843   
 H235     H    -2.77683   -1.04080   0.55412   
 H236     H    -2.72934   -1.02431   0.46752   
 H237     H    -2.72973   -1.18752   0.49472   
 H238     H    -2.77726   -1.17166   0.40895   
 H239     H    -2.77723   -1.14288   0.44714   
 H240     H    -2.72953   -1.15885   0.53377   
 H241     H    -2.72978   -1.04921   0.26643   
 H242     H    -2.77772   -1.08417   0.26632   
 H243     H    -2.77677   -1.08554   0.35307   
 H244     H    -2.72877   -1.05014   0.35338   
 H245     H    -2.74946   -1.08303   0.61957   
 H246     H    -2.75220   -1.04004   0.41560   
 H247     H    -2.75225   -1.14331   0.58442   
 H248     H    -2.74938   -1.10032   0.38045   
 H249     H    -2.74945   -1.05671   0.57655   
 H250     H    -2.74939   -1.12664   0.42347   
 O251     O    -2.74216   -0.97360   0.55843   
 O252     O    -2.76813   -1.11020   0.81288   
 O253     O    -2.74102   -1.12639   0.81018   
 O254     O    -2.76860   -0.98100   0.60023   
 O255     O    -2.76509   -1.20064   0.39169   
 O256     O    -2.74043   -1.20908   0.43823   
 O257     O    -2.74157   -1.05621   0.18958   
 O258     O    -2.76561   -1.07594   0.18735   
 C259     C    -2.26004   -1.17751   0.48268   
 C260     C    -2.24639   -1.18115   0.44779   
 C261     C    -2.23304   -1.16835   0.43518   
 C262     C    -2.23361   -1.15214   0.45622   
 C263     C    -2.24749   -1.14826   0.49073   
 C264     C    -2.26052   -1.16135   0.50395   
 C265     C    -2.25985   -1.05642   0.28673   
 C266     C    -2.24661   -1.06641   0.26127   
 C267     C    -2.23311   -1.07649   0.28558   
 C268     C    -2.23316   -1.07690   0.33428   
 C269     C    -2.24672   -1.06728   0.36016   
 C270     C    -2.25986   -1.05685   0.33543   
 C271     C    -2.24701   -1.06656   0.20916   
 C272     C    -2.24634   -1.19843   0.42473   
 C273     C    -2.25901   -1.12752   0.71400   
 C274     C    -2.24512   -1.11819   0.73915   
 C275     C    -2.23228   -1.10748   0.71472   
 C276     C    -2.23347   -1.10598   0.66618   
 C277     C    -2.24741   -1.11526   0.64057   
 C278     C    -2.26008   -1.12613   0.66548   
 C279     C    -2.25873   -1.00529   0.51386   
 C280     C    -2.24508   -1.00164   0.54878   
 C281     C    -2.23178   -1.01449   0.56138   
 C282     C    -2.23248   -1.03072   0.54052   
 C283     C    -2.24640   -1.03464   0.50615   
 C284     C    -2.25933   -1.02149   0.49279   
 C285     C    -2.24480   -1.11903   0.79125   
 C286     C    -2.24531   -0.98444   0.57235   
 C287     C    -2.24620   -1.05072   0.48449   
 C288     C    -2.24536   -1.06702   0.50926   
 C289     C    -2.24746   -1.06792   0.55715   
 C290     C    -2.24739   -1.05185   0.43492   
 C291     C    -2.24466   -1.08306   0.48593   
 C292     C    -2.24620   -1.13263   0.51553   
 C293     C    -2.24535   -1.11634   0.49074   
 C294     C    -2.24743   -1.11544   0.44286   
 C295     C    -2.24744   -1.13150   0.56510   
 C296     C    -2.24467   -1.10029   0.51410   
 C297     C    -2.24623   -1.11586   0.59097   
 C298     C    -2.24538   -1.10017   0.56346   
 C299     C    -2.24747   -1.08413   0.58366   
 C300     C    -2.24617   -1.06750   0.40905   
 C301     C    -2.24534   -1.08319   0.43654   
 C302     C    -2.24742   -1.09922   0.41636   
 H303     H    -2.27023   -1.18754   0.49252   
 H304     H    -2.22227   -1.17130   0.40870   
 H305     H    -2.22321   -1.14235   0.44584   
 H306     H    -2.27124   -1.15876   0.53082   
 H307     H    -2.27015   -1.04855   0.26761   
 H308     H    -2.22271   -1.08399   0.26571   
 H309     H    -2.22266   -1.08485   0.35256   
 H310     H    -2.27031   -1.04912   0.35458   
 H311     H    -2.26897   -1.13573   0.73312   
 H312     H    -2.22164   -1.10013   0.73437   
 H313     H    -2.22349   -1.09749   0.64789   
 H314     H    -2.27096   -1.13346   0.64660   
 H315     H    -2.26890   -0.99527   0.50399   
 H316     H    -2.22120   -1.01167   0.58846   
 H317     H    -2.22220   -1.04057   0.55129   
 H318     H    -2.27009   -1.02408   0.46597   
 H319     H    -2.24785   -1.04004   0.41561   
 H320     H    -2.25065   -1.12664   0.42348   
 H321     H    -2.25070   -1.05671   0.57655   
 H322     H    -2.24790   -1.14331   0.58442   
 H323     H    -2.25063   -1.10032   0.38045   
 H324     H    -2.25071   -1.08303   0.61958   
 O325     O    -2.23432   -1.20097   0.39182   
 O326     O    -2.25840   -1.20943   0.44009   
 O327     O    -2.25952   -1.05702   0.18961   
 O328     O    -2.23489   -1.07615   0.18820   
 O329     O    -2.25919   -0.97445   0.56169   
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 H357     H    -2.51082   -1.14569   0.52100   
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 H366     H    -2.51074   -1.03760   0.47895   
 H367     H    -2.50024   -1.04723   0.41305   
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 O369     O    -2.49974   -1.03510   0.45946   
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 Zr371    Zr   -2.26824   -0.94794   0.58469   
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 Zr373    Zr   -2.50046   -1.17392   0.56467   
 Zr374    Zr   -2.50039   -1.00939   0.43528   
 O375     O    -2.72400   -0.93516   0.64542   
 O376     O    -2.25704   -1.22729   0.35172   
 O377     O    -2.23931   -0.94499   0.60121   
 O378     O    -2.74167   -1.22763   0.35019   
 O379     O    -2.48477   -1.19258   0.60470   
 O380     O    -2.51544   -1.16661   0.62456   
 O381     O    -2.51537   -1.01674   0.37541   
 O382     O    -2.48466   -0.99069   0.39520   
 H383     H    -2.81038   -0.25789   0.42663   
 H384     H    -2.80093   -0.23273   0.40396   
 H385     H    -2.80987   -0.22334   0.35978   
 O386     O    -2.80001   -0.22205   0.38348   
 O387     O    -2.79922   -0.25082   0.43253   
 C388     C    -3.17702   -0.42705   0.49128   
 C389     C    -3.18243   -0.41545   0.52662   
 C390     C    -3.17389   -0.39904   0.52778   
 C391     C    -3.16039   -0.39426   0.49402   
 C392     C    -3.15489   -0.40579   0.45830   
 C393     C    -3.16341   -0.42231   0.45781   
 C394     C    -3.17676   -0.30470   0.29164   
 C395     C    -3.18243   -0.29892   0.33614   
 C396     C    -3.17320   -0.30577   0.37574   
 C397     C    -3.15907   -0.31841   0.37105   
 C398     C    -3.15357   -0.32457   0.32656   
 C399     C    -3.16251   -0.31725   0.28699   
 C400     C    -3.19780   -0.42030   0.56066   
 C401     C    -3.19836   -0.28603   0.34032   
 C402     C    -3.08226   -0.33118   0.17610   
 C403     C    -3.06284   -0.33237   0.18978   
 C404     C    -3.05849   -0.33771   0.23553   
 C405     C    -3.07321   -0.34211   0.26648   
 C406     C    -3.09272   -0.34138   0.25268   
 C407     C    -3.09694   -0.33556   0.20713   
 C408     C    -3.08177   -0.45213   0.37293   
 C409     C    -3.06246   -0.44694   0.37747   
 C410     C    -3.05834   -0.42947   0.38580   
 C411     C    -3.07318   -0.41740   0.38840   
 C412     C    -3.09260   -0.42244   0.38295   
 C413     C    -3.09660   -0.44007   0.37583   
 C414     C    -3.04673   -0.45998   0.37321   
 C415     C    -3.04704   -0.32835   0.15618   
 C416     C    -3.13880   -0.33670   0.32268   
 C417     C    -3.13781   -0.35250   0.34967   
 C418     C    -3.15307   -0.35803   0.37676   
 C419     C    -3.12366   -0.33412   0.28978   
 C420     C    -3.12231   -0.36424   0.34573   
 C421     C    -3.10736   -0.41022   0.39144   
 C422     C    -3.10750   -0.39374   0.36751   
 C423     C    -3.09434   -0.38989   0.33287   
 C424     C    -3.12370   -0.41377   0.41998   
 C425     C    -3.12232   -0.38147   0.37389   
 C426     C    -3.13884   -0.40184   0.42916   
 C427     C    -3.13783   -0.38566   0.40387   
 C428     C    -3.15308   -0.37424   0.40327   
 C429     C    -3.10732   -0.34509   0.28496   
 C430     C    -3.10748   -0.36059   0.31331   
 C431     C    -3.09433   -0.37368   0.30637   
 H432     H    -3.18375   -0.43969   0.49042   
 H433     H    -3.17827   -0.39003   0.55495   
 H434     H    -3.15406   -0.38142   0.49528   
 H435     H    -3.15941   -0.43147   0.43068   
 H436     H    -3.18383   -0.29928   0.26111   
 H437     H    -3.17762   -0.30130   0.41022   
 H438     H    -3.15229   -0.32371   0.40224   
 H439     H    -3.15839   -0.32162   0.25218   
 H440     H    -3.08551   -0.32690   0.14074   
 H441     H    -3.04347   -0.33837   0.24620   
 H442     H    -3.06958   -0.34632   0.30173   
 H443     H    -3.11190   -0.33463   0.19583   
 H444     H    -3.08484   -0.46570   0.36682   
 H445     H    -3.04338   -0.42557   0.39015   
 H446     H    -3.06970   -0.40392   0.39464   
 H447     H    -3.11149   -0.44428   0.37198   
 H448     H    -3.12389   -0.32250   0.26964   
 H449     H    -3.08441   -0.39931   0.32150   
 H450     H    -3.16621   -0.35119   0.37653   
 H451     H    -3.12394   -0.42576   0.43845   
 H452     H    -3.08440   -0.37299   0.27847   
 H453     H    -3.16622   -0.37751   0.41956   
 O454     O    -3.20703   -0.28206   0.30260   
 O455     O    -3.20596   -0.43479   0.55435   
 O456     O    -3.20189   -0.40955   0.59282   
 O457     O    -3.20241   -0.28026   0.38073   
 O458     O    -3.02977   -0.33007   0.17048   
 O459     O    -3.05210   -0.32350   0.11555   
 O460     O    -3.05195   -0.47557   0.36778   
 O461     O    -3.02939   -0.45466   0.37535   
 C462     C    -2.82315   -0.42689   0.49115   
 C463     C    -2.81746   -0.41512   0.52586   
 C464     C    -2.82661   -0.39898   0.52793   
 C465     C    -2.84072   -0.39454   0.49541   
 C466     C    -2.84624   -0.40615   0.45981   
 C467     C    -2.83733   -0.42247   0.45882   
 C468     C    -2.82328   -0.30463   0.29092   
 C469     C    -2.81784   -0.29858   0.33532   
 C470     C    -2.82651   -0.30585   0.37511   
 C471     C    -2.84003   -0.31906   0.37060   
 C472     C    -2.84547   -0.32532   0.32624   
 C473     C    -2.83690   -0.31774   0.28649   
 C474     C    -2.80162   -0.41985   0.55889   
 C475     C    -2.80239   -0.28528   0.33971   
 C476     C    -2.91810   -0.33011   0.17764   
 C477     C    -2.93745   -0.33096   0.19205   
 C478     C    -2.94159   -0.33648   0.23774   
 C479     C    -2.92681   -0.34145   0.26788   
 C480     C    -2.90736   -0.34098   0.25340   
 C481     C    -2.90333   -0.33498   0.20793   
 C482     C    -2.91795   -0.45238   0.37782   
 C483     C    -2.93727   -0.44733   0.38337   
 C484     C    -2.94149   -0.42977   0.38984   
 C485     C    -2.92675   -0.41753   0.38996   
 C486     C    -2.90731   -0.42245   0.38405   
 C487     C    -2.90324   -0.44014   0.37833   
 C488     C    -2.95308   -0.32638   0.15833   
 C489     C    -2.95300   -0.46043   0.37988   
 C490     C    -2.89263   -0.34509   0.28496   
 C491     C    -2.89250   -0.36059   0.31328   
 C492     C    -2.90563   -0.37368   0.30636   
 C493     C    -2.87630   -0.33413   0.28977   
 C494     C    -2.87768   -0.36423   0.34574   
 C495     C    -2.86122   -0.40184   0.42916   
 C496     C    -2.86219   -0.38566   0.40385   
 C497     C    -2.84696   -0.37424   0.40325   
 C498     C    -2.87633   -0.41377   0.41999   
 C499     C    -2.87770   -0.38147   0.37389   
 C500     C    -2.89267   -0.41022   0.39144   
 C501     C    -2.89251   -0.39375   0.36748   
 C502     C    -2.90564   -0.38990   0.33286   
 C503     C    -2.86118   -0.33670   0.32268   
 C504     C    -2.86217   -0.35251   0.34965   
 C505     C    -2.84695   -0.35803   0.37675   
 H506     H    -2.81610   -0.43941   0.48980   
 H507     H    -2.82215   -0.38987   0.55484   
 H508     H    -2.84745   -0.38188   0.49733   
 H509     H    -2.84147   -0.43174   0.43204   
 H510     H    -2.81650   -0.29900   0.26026   
 H511     H    -2.82216   -0.30124   0.40947   
 H512     H    -2.84640   -0.32464   0.40193   
 H513     H    -2.84088   -0.32228   0.25179   
 H514     H    -2.91495   -0.32575   0.14233   
 H515     H    -2.95658   -0.33715   0.24879   
 H516     H    -2.93037   -0.34589   0.30293   
 H517     H    -2.88842   -0.33432   0.19600   
 H518     H    -2.91478   -0.46597   0.37270   
 H519     H    -2.95645   -0.42588   0.39374   
 H520     H    -2.93034   -0.40398   0.39450   
 H521     H    -2.88835   -0.44431   0.37389   
 H522     H    -2.83382   -0.37751   0.41955   
 H523     H    -2.87607   -0.32250   0.26964   
 H524     H    -2.87612   -0.42577   0.43845   
 H525     H    -2.91555   -0.37299   0.27848   
 H526     H    -2.83381   -0.35119   0.37652   
 H527     H    -2.91556   -0.39931   0.32151   
 O528     O    -2.79413   -0.28061   0.30205   
 O529     O    -2.79761   -0.40938   0.59167   
 O530     O    -2.79300   -0.43404   0.55091   
 O531     O    -2.79828   -0.27986   0.38052   
 O532     O    -2.94794   -0.47573   0.36970   
 O533     O    -2.97035   -0.32625   0.17321   
 O534     O    -2.94786   -0.32327   0.11651   
 O535     O    -2.97024   -0.45534   0.38633   
 H536     H    -3.23536   -0.41280   0.54810   
 O537     O    -3.23923   -0.41822   0.57700   
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 H539     H    -3.19911   -0.24054   0.41691   
 H540     H    -3.18963   -0.22136   0.36728   
 O541     O    -3.20082   -0.22278   0.38692   
 O542     O    -3.20001   -0.25221   0.43288   
 H543     H    -3.29975   -0.47057   0.59446   
 H544     H    -3.30067   -0.44314   0.58199   
 H545     H    -3.29632   -0.43498   0.53231   
 O546     O    -3.29927   -0.43185   0.56425   
 O547     O    -3.29950   -0.46046   0.61402   
 H548     H    -3.23650   -0.29319   0.35061   
 O549     O    -3.24070   -0.28132   0.35067   
 H550     H    -2.76357   -0.41313   0.54662   
 O551     O    -2.75939   -0.41864   0.57513   
 H552     H    -2.76471   -0.29288   0.35199   
 O553     O    -2.76084   -0.28092   0.35249   
 Zr554    Zr   -3.22633   -0.40837   0.64655   
 Zr555    Zr   -3.27333   -0.27538   0.35203   
 Zr556    Zr   -2.72674   -0.42092   0.59009   
 Zr557    Zr   -2.77377   -0.26283   0.40848   
 Zr558    Zr   -2.99955   -0.46852   0.37567   
 Zr559    Zr   -2.96371   -0.49993   0.35006   
 O560     O    -3.26084   -0.44388   0.59934   
 O561     O    -2.77619   -0.43406   0.64351   
 C562     C    -3.24139   -0.62738   0.71385   
 C563     C    -3.25506   -0.61773   0.73898   
 C564     C    -3.26834   -0.60757   0.71415   
 C565     C    -3.26767   -0.60672   0.66550   
 C566     C    -3.25373   -0.61608   0.64001   
 C567     C    -3.24081   -0.62658   0.66519   
 C568     C    -3.24132   -0.50517   0.51337   
 C569     C    -3.25521   -0.50136   0.54765   
 C570     C    -3.26807   -0.51437   0.56163   
 C571     C    -3.26687   -0.53086   0.54241   
 C572     C    -3.25287   -0.53485   0.50827   
 C573     C    -3.24024   -0.52161   0.49396   
 C574     C    -3.25487   -0.61819   0.79122   
 C575     C    -3.25546   -0.48402   0.57024   
 C576     C    -3.24004   -0.67761   0.48469   
 C577     C    -3.25333   -0.68131   0.44899   
 C578     C    -3.26682   -0.66866   0.43608   
 C579     C    -3.26673   -0.65257   0.45774   
 C580     C    -3.25314   -0.64858   0.49279   
 C581     C    -3.24002   -0.66152   0.50630   
 C582     C    -3.23997   -0.55709   0.28590   
 C583     C    -3.25361   -0.56682   0.26094   
 C584     C    -3.26696   -0.57691   0.28579   
 C585     C    -3.26638   -0.57759   0.33445   
 C586     C    -3.25248   -0.56812   0.35978   
 C587     C    -3.23950   -0.55768   0.33458   
 C588     C    -3.25363   -0.56633   0.20874   
 C589     C    -3.25296   -0.69826   0.42444   
 C590     C    -3.25386   -0.56749   0.40905   
 C591     C    -3.25471   -0.58318   0.43657   
 C592     C    -3.25262   -0.59922   0.41637   
 C593     C    -3.25267   -0.55186   0.43490   
 C594     C    -3.25542   -0.58306   0.48593   
 C595     C    -3.25392   -0.61586   0.59098   
 C596     C    -3.25476   -0.60017   0.56348   
 C597     C    -3.25267   -0.58413   0.58366   
 C598     C    -3.25269   -0.63150   0.56512   
 C599     C    -3.25543   -0.60029   0.51409   
 C600     C    -3.25389   -0.63263   0.51553   
 C601     C    -3.25473   -0.61633   0.49077   
 C602     C    -3.25263   -0.61543   0.44287   
 C603     C    -3.25389   -0.55072   0.48449   
 C604     C    -3.25474   -0.56701   0.50928   
 C605     C    -3.25267   -0.56792   0.55716   
 H606     H    -3.23120   -0.63529   0.73316   
 H607     H    -3.27889   -0.60010   0.73372   
 H608     H    -3.27793   -0.59859   0.64704   
 H609     H    -3.23005   -0.63409   0.64635   
 H610     H    -3.23136   -0.49507   0.50279   
 H611     H    -3.27872   -0.51144   0.58843   
 H612     H    -3.27683   -0.54080   0.55412   
 H613     H    -3.22934   -0.52431   0.46752   
 H614     H    -3.22973   -0.68752   0.49472   
 H615     H    -3.27726   -0.67166   0.40895   
 H616     H    -3.27723   -0.64288   0.44714   
 H617     H    -3.22953   -0.65885   0.53377   
 H618     H    -3.22978   -0.54921   0.26643   
 H619     H    -3.27772   -0.58417   0.26632   
 H620     H    -3.27677   -0.58554   0.35307   
 H621     H    -3.22877   -0.55014   0.35338   
 H622     H    -3.24946   -0.58303   0.61957   
 H623     H    -3.25220   -0.54004   0.41560   
 H624     H    -3.25225   -0.64331   0.58442   
 H625     H    -3.24938   -0.60032   0.38045   
 H626     H    -3.24945   -0.55671   0.57655   
 H627     H    -3.24939   -0.62664   0.42347   
 O628     O    -3.24216   -0.47360   0.55843   
 O629     O    -3.26813   -0.61020   0.81288   
 O630     O    -3.24102   -0.62639   0.81018   
 O631     O    -3.26860   -0.48100   0.60023   
 O632     O    -3.26509   -0.70064   0.39169   
 O633     O    -3.24043   -0.70908   0.43823   
 O634     O    -3.24157   -0.55621   0.18958   
 O635     O    -3.26561   -0.57594   0.18735   
 C636     C    -2.76004   -0.67751   0.48268   
 C637     C    -2.74639   -0.68115   0.44779   
 C638     C    -2.73304   -0.66835   0.43518   
 C639     C    -2.73361   -0.65214   0.45622   
 C640     C    -2.74749   -0.64826   0.49073   
 C641     C    -2.76052   -0.66135   0.50395   
 C642     C    -2.75985   -0.55642   0.28673   
 C643     C    -2.74661   -0.56641   0.26127   
 C644     C    -2.73311   -0.57649   0.28558   
 C645     C    -2.73316   -0.57690   0.33428   
 C646     C    -2.74672   -0.56728   0.36016   
 C647     C    -2.75986   -0.55685   0.33543   
 C648     C    -2.74701   -0.56656   0.20916   
 C649     C    -2.74634   -0.69843   0.42473   
 C650     C    -2.75901   -0.62752   0.71400   
 C651     C    -2.74512   -0.61819   0.73915   
 C652     C    -2.73228   -0.60748   0.71472   
 C653     C    -2.73347   -0.60598   0.66618   
 C654     C    -2.74741   -0.61526   0.64057   
 C655     C    -2.76008   -0.62613   0.66548   
 C656     C    -2.75873   -0.50529   0.51386   
 C657     C    -2.74508   -0.50164   0.54878   
 C658     C    -2.73178   -0.51449   0.56138   
 C659     C    -2.73248   -0.53072   0.54052   
 C660     C    -2.74640   -0.53464   0.50615   
 C661     C    -2.75933   -0.52149   0.49279   
 C662     C    -2.74480   -0.61903   0.79125   
 C663     C    -2.74531   -0.48444   0.57235   
 C664     C    -2.74620   -0.55072   0.48449   
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 H743     H    -3.01074   -0.53760   0.47895   
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 Zr748    Zr   -2.76824   -0.44794   0.58469   
 Zr749    Zr   -3.03616   -0.50000   0.35013   
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 Zr751    Zr   -3.00039   -0.50939   0.43528   
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 O755     O    -3.24167   -0.72763   0.35019   
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 O757     O    -3.01544   -0.66661   0.62456   
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 C762     C    -2.82545   -0.87661   0.62522   
 C763     C    -2.84008   -0.86439   0.62943   
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 C766     C    -2.82184   -0.75695   0.51140   
 C767     C    -2.81617   -0.76880   0.47691   
 C768     C    -2.82539   -0.78491   0.47468   
 C769     C    -2.83965   -0.78922   0.50699   
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 C772     C    -2.80047   -0.76412   0.44354   
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 C775     C    -2.93751   -0.73595   0.61713   
 C776     C    -2.94181   -0.75349   0.61084   
 C777     C    -2.92712   -0.76578   0.61087   
 C778     C    -2.90768   -0.76089   0.61672   
 C779     C    -2.90352   -0.74321   0.62242   
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 C782     C    -2.94166   -0.84698   0.76191   
 C783     C    -2.92682   -0.84206   0.73191   
 C784     C    -2.90740   -0.84253   0.74651   
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 C786     C    -2.95318   -0.72283   0.62023   
 C787     C    -2.95331   -0.85691   0.84141   
 C788     C    -2.86126   -0.78152   0.57086   
 C789     C    -2.86226   -0.79770   0.59615   
 C790     C    -2.84701   -0.80911   0.59676   
 C791     C    -2.87639   -0.76958   0.58004   
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 C793     C    -2.89277   -0.83826   0.71506   
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 C797     C    -2.87778   -0.81912   0.65430   
 C798     C    -2.86129   -0.84665   0.67734   
 C799     C    -2.86228   -0.83085   0.65035   
 C800     C    -2.84702   -0.82532   0.62326   
 C801     C    -2.89274   -0.77313   0.60858   
 C802     C    -2.89260   -0.78961   0.63251   
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 H808     H    -2.81473   -0.74446   0.51265   
 H809     H    -2.82120   -0.79391   0.44739   
 H810     H    -2.84657   -0.80179   0.50485   
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 H813     H    -2.95680   -0.75734   0.60691   
 H814     H    -2.93075   -0.77934   0.60637   
 H815     H    -2.88865   -0.73907   0.62694   
 H816     H    -2.91519   -0.85769   0.85758   
 H817     H    -2.95664   -0.84628   0.75067   
 H818     H    -2.93030   -0.83763   0.69678   
 H819     H    -2.88856   -0.84923   0.80410   
 H820     H    -2.87615   -0.75759   0.56157   
 H821     H    -2.91569   -0.81036   0.72155   
 H822     H    -2.83387   -0.80584   0.58047   
 H823     H    -2.87620   -0.86085   0.73038   
 H824     H    -2.91568   -0.78404   0.67852   
 H825     H    -2.83388   -0.83216   0.62349   
 O826     O    -2.79502   -0.90000   0.61941   
 O827     O    -2.79271   -0.90125   0.69831   
 O828     O    -2.79361   -0.74897   0.44700   
 O829     O    -2.79510   -0.77550   0.41422   
 O830     O    -2.94811   -0.85997   0.88328   
 O831     O    -2.94809   -0.70752   0.63024   
 O832     O    -2.97043   -0.72789   0.61366   
 O833     O    -2.97057   -0.85701   0.82655   
 C834     C    -3.17832   -0.87730   0.70848   
 C835     C    -3.18399   -0.88308   0.66399   
 C836     C    -3.17478   -0.87628   0.62436   
 C837     C    -3.16051   -0.86372   0.62899   
 C838     C    -3.15495   -0.85762   0.67349   
 C839     C    -3.16397   -0.86484   0.71313   
 C840     C    -3.17759   -0.75643   0.51156   
 C841     C    -3.18375   -0.76831   0.47761   
 C842     C    -3.17461   -0.78443   0.47474   
 C843     C    -3.15994   -0.78874   0.50591   
 C844     C    -3.15400   -0.77708   0.54096   
 C845     C    -3.16291   -0.76077   0.54266   
 C846     C    -3.19994   -0.76403   0.44540   
 C847     C    -3.19966   -0.89619   0.65967   
 C848     C    -3.08191   -0.73138   0.62736   
 C849     C    -3.06259   -0.73651   0.62278   
 C850     C    -3.05846   -0.75397   0.61446   
 C851     C    -3.07329   -0.76608   0.61186   
 C852     C    -3.09273   -0.76108   0.61726   
 C853     C    -3.09673   -0.74346   0.62443   
 C854     C    -3.08251   -0.85234   0.82385   
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 C875     C    -3.13888   -0.78152   0.57086   
 C876     C    -3.13790   -0.79769   0.59617   
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 H893     H    -3.11215   -0.84898   0.80400   
 H894     H    -3.12397   -0.75759   0.56157   
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 H898     H    -3.16627   -0.80584   0.58048   
 H899     H    -3.08454   -0.81036   0.72154   
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 O902     O    -3.20742   -0.74916   0.44983   
 O903     O    -3.20511   -0.77548   0.41607   
 O904     O    -3.02952   -0.72871   0.62469   
 O905     O    -3.05210   -0.70783   0.63227   
 O906     O    -3.05238   -0.85987   0.88445   
 O907     O    -3.03003   -0.85326   0.82958   
 H908     H    -2.75452   -0.79601   0.41881   
 H909     H    -2.73482   -0.78885   0.47368   
 H910     H    -2.77711   -0.79709   0.42669   
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 H913     H    -2.72852   -0.72963   0.44473   
 O914     O    -2.73403   -0.73569   0.41850   
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 H916     H    -2.77602   -0.88598   0.56503   
 H917     H    -2.74580   -0.88720   0.58212   
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 H921     H    -3.22406   -0.79982   0.42432   
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 O939     O    -2.75832   -0.76044   0.40381   
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 H942     H    -3.30093   0.26727    0.40396   
 H943     H    -3.30987   0.27666    0.35978   
 O944     O    -3.30001   0.27795    0.38348   
 O945     O    -3.29922   0.24918    0.43253   
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 C947     C    -3.68243   0.08455    0.52662   
 C948     C    -3.67389   0.10096    0.52778   
 C949     C    -3.66039   0.10574    0.49402   
 C950     C    -3.65489   0.09421    0.45830   
 C951     C    -3.66341   0.07769    0.45781   
 C952     C    -3.67676   0.19530    0.29164   
 C953     C    -3.68243   0.20108    0.33614   
 C954     C    -3.67320   0.19423    0.37574   
 C955     C    -3.65907   0.18159    0.37105   
 C956     C    -3.65357   0.17543    0.32656   
 C957     C    -3.66251   0.18275    0.28699   
 C958     C    -3.69780   0.07970    0.56066   
 C959     C    -3.69836   0.21397    0.34032   
 C960     C    -3.58226   0.16882    0.17610   
 C961     C    -3.56284   0.16763    0.18978   
 C962     C    -3.55849   0.16229    0.23553   
 C963     C    -3.57321   0.15789    0.26648   
 C964     C    -3.59272   0.15862    0.25268   
 C965     C    -3.59694   0.16444    0.20713   
 C966     C    -3.58177   0.04787    0.37293   
 C967     C    -3.56246   0.05306    0.37747   
 C968     C    -3.55834   0.07053    0.38580   
 C969     C    -3.57318   0.08260    0.38840   
 C970     C    -3.59260   0.07756    0.38295   
 C971     C    -3.59660   0.05993    0.37583   
 C972     C    -3.54673   0.04002    0.37321   
 C973     C    -3.54704   0.17165    0.15618   
 C974     C    -3.63880   0.16330    0.32268   
 C975     C    -3.63781   0.14750    0.34967   
 C976     C    -3.65307   0.14197    0.37676   
 C977     C    -3.62366   0.16588    0.28978   
 C978     C    -3.62231   0.13576    0.34573   
 C979     C    -3.60736   0.08978    0.39144   
 C980     C    -3.60750   0.10626    0.36751   
 C981     C    -3.59434   0.11011    0.33287   
 C982     C    -3.62370   0.08623    0.41998   
 C983     C    -3.62232   0.11853    0.37389   
 C984     C    -3.63884   0.09816    0.42916   
 C985     C    -3.63783   0.11434    0.40387   
 C986     C    -3.65308   0.12576    0.40327   
 C987     C    -3.60732   0.15491    0.28496   
 C988     C    -3.60748   0.13941    0.31331   
 C989     C    -3.59433   0.12632    0.30637   
 H990     H    -3.68375   0.06031    0.49042   
 H991     H    -3.67827   0.10997    0.55495   
 H992     H    -3.65406   0.11858    0.49528   
 H993     H    -3.65941   0.06853    0.43068   
 H994     H    -3.68383   0.20072    0.26111   
 H995     H    -3.67762   0.19870    0.41022   
 H996     H    -3.65229   0.17629    0.40224   
 H997     H    -3.65839   0.17838    0.25218   
 H998     H    -3.58551   0.17310    0.14074   
 H999     H    -3.54347   0.16163    0.24620   
 H1000    H    -3.56958   0.15368    0.30173   
 H1001    H    -3.61190   0.16537    0.19583   
 H1002    H    -3.58484   0.03430    0.36682   
 H1003    H    -3.54338   0.07443    0.39015   
 H1004    H    -3.56970   0.09608    0.39464   
 H1005    H    -3.61149   0.05572    0.37198   
 H1006    H    -3.62389   0.17750    0.26964   
 H1007    H    -3.58441   0.10069    0.32150   
 H1008    H    -3.66621   0.14881    0.37653   
 H1009    H    -3.62394   0.07424    0.43845   
 H1010    H    -3.58440   0.12701    0.27847   
 H1011    H    -3.66622   0.12249    0.41956   
 O1012    O    -3.70703   0.21794    0.30260   
 O1013    O    -3.70596   0.06521    0.55435   
 O1014    O    -3.70189   0.09045    0.59282   
 O1015    O    -3.70241   0.21974    0.38073   
 O1016    O    -3.52977   0.16993    0.17048   
 O1017    O    -3.55210   0.17650    0.11555   
 O1018    O    -3.55195   0.02443    0.36778   
 O1019    O    -3.52939   0.04534    0.37535   
 C1020    C    -3.32315   0.07311    0.49115   
 C1021    C    -3.31746   0.08488    0.52586   
 C1022    C    -3.32661   0.10102    0.52793   
 C1023    C    -3.34072   0.10546    0.49541   
 C1024    C    -3.34624   0.09385    0.45981   
 C1025    C    -3.33733   0.07753    0.45882   
 C1026    C    -3.32328   0.19537    0.29092   
 C1027    C    -3.31784   0.20142    0.33532   
 C1028    C    -3.32651   0.19415    0.37511   
 C1029    C    -3.34003   0.18094    0.37060   
 C1030    C    -3.34547   0.17468    0.32624   
 C1031    C    -3.33690   0.18226    0.28649   
 C1032    C    -3.30162   0.08015    0.55889   
 C1033    C    -3.30239   0.21472    0.33971   
 C1034    C    -3.41810   0.16989    0.17764   
 C1035    C    -3.43745   0.16904    0.19205   
 C1036    C    -3.44159   0.16352    0.23774   
 C1037    C    -3.42681   0.15855    0.26788   
 C1038    C    -3.40736   0.15902    0.25340   
 C1039    C    -3.40333   0.16502    0.20793   
 C1040    C    -3.41795   0.04762    0.37782   
 C1041    C    -3.43727   0.05267    0.38337   
 C1042    C    -3.44149   0.07023    0.38984   
 C1043    C    -3.42675   0.08247    0.38996   
 C1044    C    -3.40731   0.07755    0.38405   
 C1045    C    -3.40324   0.05986    0.37833   
 C1046    C    -3.45308   0.17362    0.15833   
 C1047    C    -3.45300   0.03957    0.37988   
 C1048    C    -3.39263   0.15491    0.28496   
 C1049    C    -3.39250   0.13941    0.31328   
 C1050    C    -3.40563   0.12632    0.30636   
 C1051    C    -3.37630   0.16587    0.28977   
 C1052    C    -3.37768   0.13577    0.34574   
 C1053    C    -3.36122   0.09816    0.42916   
 C1054    C    -3.36219   0.11434    0.40385   
 C1055    C    -3.34696   0.12576    0.40325   
 C1056    C    -3.37633   0.08623    0.41999   
 C1057    C    -3.37770   0.11853    0.37389   
 C1058    C    -3.39267   0.08978    0.39144   
 C1059    C    -3.39251   0.10625    0.36748   
 C1060    C    -3.40564   0.11010    0.33286   
 C1061    C    -3.36118   0.16330    0.32268   
 C1062    C    -3.36217   0.14749    0.34965   
 C1063    C    -3.34695   0.14197    0.37675   
 H1064    H    -3.31610   0.06059    0.48980   
 H1065    H    -3.32215   0.11013    0.55484   
 H1066    H    -3.34745   0.11812    0.49733   
 H1067    H    -3.34147   0.06826    0.43204   
 H1068    H    -3.31650   0.20100    0.26026   
 H1069    H    -3.32216   0.19876    0.40947   
 H1070    H    -3.34640   0.17536    0.40193   
 H1071    H    -3.34088   0.17772    0.25179   
 H1072    H    -3.41495   0.17425    0.14233   
 H1073    H    -3.45658   0.16285    0.24879   
 H1074    H    -3.43037   0.15411    0.30293   
 H1075    H    -3.38842   0.16568    0.19600   
 H1076    H    -3.41478   0.03403    0.37270   
 H1077    H    -3.45645   0.07412    0.39374   
 H1078    H    -3.43034   0.09602    0.39450   
 H1079    H    -3.38835   0.05569    0.37389   
 H1080    H    -3.33382   0.12249    0.41955   
 H1081    H    -3.37607   0.17750    0.26964   
 H1082    H    -3.37612   0.07423    0.43845   
 H1083    H    -3.41555   0.12701    0.27848   
 H1084    H    -3.33381   0.14881    0.37652   
 H1085    H    -3.41556   0.10069    0.32151   
 O1086    O    -3.29413   0.21939    0.30205   
 O1087    O    -3.29761   0.09062    0.59167   
 O1088    O    -3.29300   0.06596    0.55091   
 O1089    O    -3.29828   0.22014    0.38052   
 O1090    O    -3.44794   0.02427    0.36970   
 O1091    O    -3.47035   0.17375    0.17321   
 O1092    O    -3.44786   0.17673    0.11651   
 O1093    O    -3.47024   0.04466    0.38633   
 H1094    H    -3.73536   0.08720    0.54810   
 O1095    O    -3.73923   0.08178    0.57700   
 H1096    H    -3.69016   0.24065    0.41878   
 H1097    H    -3.69911   0.25946    0.41691   
 H1098    H    -3.68963   0.27864    0.36728   
 O1099    O    -3.70082   0.27722    0.38692   
 O1100    O    -3.70001   0.24779    0.43288   
 H1101    H    -3.79975   0.02943    0.59446   
 H1102    H    -3.80067   0.05686    0.58199   
 H1103    H    -3.79632   0.06502    0.53231   
 O1104    O    -3.79927   0.06815    0.56425   
 O1105    O    -3.79950   0.03954    0.61402   
 H1106    H    -3.73650   0.20681    0.35061   
 O1107    O    -3.74070   0.21868    0.35067   
 H1108    H    -3.26357   0.08687    0.54662   
 O1109    O    -3.25939   0.08136    0.57513   
 H1110    H    -3.26471   0.20712    0.35199   
 O1111    O    -3.26084   0.21908    0.35249   
 Zr1112   Zr   -3.72633   0.09163    0.64655   
 Zr1113   Zr   -3.77333   0.22462    0.35203   
 Zr1114   Zr   -3.22674   0.07908    0.59009   
 Zr1115   Zr   -3.27377   0.23717    0.40848   
 Zr1116   Zr   -3.49955   0.03148    0.37567   
 Zr1117   Zr   -3.46371   0.00007    0.35006   
 O1118    O    -3.76084   0.05612    0.59934   
 O1119    O    -3.27619   0.06594    0.64351   
 C1120    C    -3.74139   -0.12738   0.71385   
 C1121    C    -3.75506   -0.11773   0.73898   
 C1122    C    -3.76834   -0.10757   0.71415   
 C1123    C    -3.76767   -0.10672   0.66550   
 C1124    C    -3.75373   -0.11608   0.64001   
 C1125    C    -3.74081   -0.12658   0.66519   
 C1126    C    -3.74132   -0.00517   0.51337   
 C1127    C    -3.75521   -0.00136   0.54765   
 C1128    C    -3.76807   -0.01437   0.56163   
 C1129    C    -3.76687   -0.03086   0.54241   
 C1130    C    -3.75287   -0.03485   0.50827   
 C1131    C    -3.74024   -0.02161   0.49396   
 C1132    C    -3.75487   -0.11819   0.79122   
 C1133    C    -3.75546   0.01598    0.57024   
 C1134    C    -3.74004   -0.17761   0.48469   
 C1135    C    -3.75333   -0.18131   0.44899   
 C1136    C    -3.76682   -0.16866   0.43608   
 C1137    C    -3.76673   -0.15257   0.45774   
 C1138    C    -3.75314   -0.14858   0.49279   
 C1139    C    -3.74002   -0.16152   0.50630   
 C1140    C    -3.73997   -0.05709   0.28590   
 C1141    C    -3.75361   -0.06682   0.26094   
 C1142    C    -3.76696   -0.07691   0.28579   
 C1143    C    -3.76638   -0.07759   0.33445   
 C1144    C    -3.75248   -0.06812   0.35978   
 C1145    C    -3.73950   -0.05768   0.33458   
 C1146    C    -3.75363   -0.06633   0.20874   
 C1147    C    -3.75296   -0.19826   0.42444   
 C1148    C    -3.75386   -0.06749   0.40905   
 C1149    C    -3.75471   -0.08318   0.43657   
 C1150    C    -3.75262   -0.09922   0.41637   
 C1151    C    -3.75267   -0.05186   0.43490   
 C1152    C    -3.75542   -0.08306   0.48593   
 C1153    C    -3.75392   -0.11586   0.59098   
 C1154    C    -3.75476   -0.10017   0.56348   
 C1155    C    -3.75267   -0.08413   0.58366   
 C1156    C    -3.75269   -0.13150   0.56512   
 C1157    C    -3.75543   -0.10029   0.51409   
 C1158    C    -3.75389   -0.13263   0.51553   
 C1159    C    -3.75473   -0.11633   0.49077   
 C1160    C    -3.75263   -0.11543   0.44287   
 C1161    C    -3.75389   -0.05072   0.48449   
 C1162    C    -3.75474   -0.06701   0.50928   
 C1163    C    -3.75267   -0.06792   0.55716   
 H1164    H    -3.73120   -0.13529   0.73316   
 H1165    H    -3.77889   -0.10010   0.73372   
 H1166    H    -3.77793   -0.09859   0.64704   
 H1167    H    -3.73005   -0.13409   0.64635   
 H1168    H    -3.73136   0.00493    0.50279   
 H1169    H    -3.77872   -0.01144   0.58843   
 H1170    H    -3.77683   -0.04080   0.55412   
 H1171    H    -3.72934   -0.02431   0.46752   
 H1172    H    -3.72973   -0.18752   0.49472   
 H1173    H    -3.77726   -0.17166   0.40895   
 H1174    H    -3.77723   -0.14288   0.44714   
 H1175    H    -3.72953   -0.15885   0.53377   
 H1176    H    -3.72978   -0.04921   0.26643   
 H1177    H    -3.77772   -0.08417   0.26632   
 H1178    H    -3.77677   -0.08554   0.35307   
 H1179    H    -3.72877   -0.05014   0.35338   
 H1180    H    -3.74946   -0.08303   0.61957   
 H1181    H    -3.75220   -0.04004   0.41560   
 H1182    H    -3.75225   -0.14331   0.58442   
 H1183    H    -3.74938   -0.10032   0.38045   
 H1184    H    -3.74945   -0.05671   0.57655   
 H1185    H    -3.74939   -0.12664   0.42347   
 O1186    O    -3.74216   0.02640    0.55843   
 O1187    O    -3.76813   -0.11020   0.81288   
 O1188    O    -3.74102   -0.12639   0.81018   
 O1189    O    -3.76860   0.01900    0.60023   
 O1190    O    -3.76509   -0.20064   0.39169   
 O1191    O    -3.74043   -0.20908   0.43823   
 O1192    O    -3.74157   -0.05621   0.18958   
 O1193    O    -3.76561   -0.07594   0.18735   
 C1194    C    -3.26004   -0.17751   0.48268   
 C1195    C    -3.24639   -0.18115   0.44779   
 C1196    C    -3.23304   -0.16835   0.43518   
 C1197    C    -3.23361   -0.15214   0.45622   
 C1198    C    -3.24749   -0.14826   0.49073   
 C1199    C    -3.26052   -0.16135   0.50395   
 C1200    C    -3.25985   -0.05642   0.28673   
 C1201    C    -3.24661   -0.06641   0.26127   
 C1202    C    -3.23311   -0.07649   0.28558   
 C1203    C    -3.23316   -0.07690   0.33428   
 C1204    C    -3.24672   -0.06728   0.36016   
 C1205    C    -3.25986   -0.05685   0.33543   
 C1206    C    -3.24701   -0.06656   0.20916   
 C1207    C    -3.24634   -0.19843   0.42473   
 C1208    C    -3.25901   -0.12752   0.71400   
 C1209    C    -3.24512   -0.11819   0.73915   
 C1210    C    -3.23228   -0.10748   0.71472   
 C1211    C    -3.23347   -0.10598   0.66618   
 C1212    C    -3.24741   -0.11526   0.64057   
 C1213    C    -3.26008   -0.12613   0.66548   
 C1214    C    -3.25873   -0.00529   0.51386   
 C1215    C    -3.24508   -0.00164   0.54878   
 C1216    C    -3.23178   -0.01449   0.56138   
 C1217    C    -3.23248   -0.03072   0.54052   
 C1218    C    -3.24640   -0.03464   0.50615   
 C1219    C    -3.25933   -0.02149   0.49279   
 C1220    C    -3.24480   -0.11903   0.79125   
 C1221    C    -3.24531   0.01556    0.57235   
 C1222    C    -3.24620   -0.05072   0.48449   
 C1223    C    -3.24536   -0.06702   0.50926   
 C1224    C    -3.24746   -0.06792   0.55715   
 C1225    C    -3.24739   -0.05185   0.43492   
 C1226    C    -3.24466   -0.08306   0.48593   
 C1227    C    -3.24620   -0.13263   0.51553   
 C1228    C    -3.24535   -0.11634   0.49074   
 C1229    C    -3.24743   -0.11544   0.44286   
 C1230    C    -3.24744   -0.13150   0.56510   
 C1231    C    -3.24467   -0.10029   0.51410   
 C1232    C    -3.24623   -0.11586   0.59097   
 C1233    C    -3.24538   -0.10017   0.56346   
 C1234    C    -3.24747   -0.08413   0.58366   
 C1235    C    -3.24617   -0.06750   0.40905   
 C1236    C    -3.24534   -0.08319   0.43654   
 C1237    C    -3.24742   -0.09922   0.41636   
 H1238    H    -3.27023   -0.18754   0.49252   
 H1239    H    -3.22227   -0.17130   0.40870   
 H1240    H    -3.22321   -0.14235   0.44584   
 H1241    H    -3.27124   -0.15876   0.53082   
 H1242    H    -3.27015   -0.04855   0.26761   
 H1243    H    -3.22271   -0.08399   0.26571   
 H1244    H    -3.22266   -0.08485   0.35256   
 H1245    H    -3.27031   -0.04912   0.35458   
 H1246    H    -3.26897   -0.13573   0.73312   
 H1247    H    -3.22164   -0.10013   0.73437   
 H1248    H    -3.22349   -0.09749   0.64789   
 H1249    H    -3.27096   -0.13346   0.64660   
 H1250    H    -3.26890   0.00473    0.50399   
 H1251    H    -3.22120   -0.01167   0.58846   
 H1252    H    -3.22220   -0.04057   0.55129   
 H1253    H    -3.27009   -0.02408   0.46597   
 H1254    H    -3.24785   -0.04004   0.41561   
 H1255    H    -3.25065   -0.12664   0.42348   
 H1256    H    -3.25070   -0.05671   0.57655   
 H1257    H    -3.24790   -0.14331   0.58442   
 H1258    H    -3.25063   -0.10032   0.38045   
 H1259    H    -3.25071   -0.08303   0.61958   
 O1260    O    -3.23432   -0.20097   0.39182   
 O1261    O    -3.25840   -0.20943   0.44009   
 O1262    O    -3.25952   -0.05702   0.18961   
 O1263    O    -3.23489   -0.07615   0.18820   
 O1264    O    -3.25919   0.02555    0.56169   
 O1265    O    -3.25807   -0.12781   0.81063   
 O1266    O    -3.23163   -0.11070   0.81251   
 O1267    O    -3.23210   0.01889    0.60178   
 H1268    H    -3.29985   -0.24770   0.35749   
 O1269    O    -3.28604   -0.24830   0.35391   
 H1270    H    -3.77152   -0.22867   0.44307   
 O1271    O    -3.76600   -0.23443   0.41632   
 H1272    H    -3.20387   0.02902    0.59131   
 H1273    H    -3.19951   0.04906    0.59497   
 H1274    H    -3.20036   0.06594    0.53500   
 O1275    O    -3.20065   0.06758    0.56843   
 O1276    O    -3.20091   0.03799    0.61371   
 H1277    H    -3.52834   0.01854    0.43649   
 O1278    O    -3.52004   0.01324    0.41354   
 H1279    H    -3.47180   -0.03199   0.40049   
 O1280    O    -3.47986   -0.02339   0.38587   
 H1281    H    -3.48645   -0.19358   0.49320   
 H1282    H    -3.49976   -0.20646   0.52176   
 H1283    H    -3.48944   -0.23092   0.54766   
 O1284    O    -3.50034   -0.22361   0.55448   
 O1285    O    -3.49926   -0.19467   0.50627   
 H1286    H    -3.48928   0.04759    0.45223   
 H1287    H    -3.49966   0.02317    0.47822   
 H1288    H    -3.48638   0.01031    0.50677   
 O1289    O    -3.49920   0.01139    0.49372   
 O1290    O    -3.50020   0.04032    0.44542   
 H1291    H    -3.50032   -0.13607   0.58692   
 H1292    H    -3.51082   -0.14569   0.52100   
 H1293    H    -3.51349   -0.12546   0.62188   
 O1294    O    -3.49983   -0.14819   0.54051   
 O1295    O    -3.50071   -0.13033   0.61884   
 H1296    H    -3.52846   -0.20189   0.56352   
 O1297    O    -3.52016   -0.19658   0.58640   
 H1298    H    -3.47186   -0.15128   0.59942   
 O1299    O    -3.47993   -0.15988   0.61404   
 H1300    H    -3.51342   -0.05785   0.37809   
 H1301    H    -3.51074   -0.03760   0.47895   
 H1302    H    -3.50024   -0.04723   0.41305   
 O1303    O    -3.50063   -0.05298   0.38116   
 O1304    O    -3.49974   -0.03510   0.45946   
 Zr1305   Zr   -3.73193   0.05207    0.58473   
 Zr1306   Zr   -3.26824   0.05206    0.58469   
 Zr1307   Zr   -3.53616   -0.00000   0.35013   
 Zr1308   Zr   -3.50046   -0.17392   0.56467   
 Zr1309   Zr   -3.50039   -0.00939   0.43528   
 O1310    O    -3.72400   0.06484    0.64542   
 O1311    O    -3.25704   -0.22729   0.35172   
 O1312    O    -3.23931   0.05501    0.60121   
 O1313    O    -3.74167   -0.22763   0.35019   
 O1314    O    -3.48477   -0.19258   0.60470   
 O1315    O    -3.51544   -0.16661   0.62456   
 O1316    O    -3.51537   -0.01674   0.37541   
 O1317    O    -3.48466   0.00931    0.39520   
 C1318    C    -3.32246   -0.37761   0.70953   
 C1319    C    -3.31632   -0.38322   0.66524   
 C1320    C    -3.32545   -0.37661   0.62522   
 C1321    C    -3.34008   -0.36439   0.62943   
 C1322    C    -3.34599   -0.35835   0.67368   
 C1323    C    -3.33709   -0.36542   0.71363   
 C1324    C    -3.32184   -0.25695   0.51140   
 C1325    C    -3.31617   -0.26880   0.47691   
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 C1330    C    -3.30047   -0.26412   0.44354   
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 C1332    C    -3.41819   -0.23094   0.62282   
 C1333    C    -3.43751   -0.23595   0.61713   
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 H1375    H    -3.45664   -0.34628   0.75067   
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 H1378    H    -3.37615   -0.25759   0.56157   
 H1379    H    -3.41569   -0.31036   0.72155   
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 C1398    C    -3.67759   -0.25643   0.51156   
 C1399    C    -3.68375   -0.26831   0.47761   
 C1400    C    -3.67461   -0.28443   0.47474   
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 C1402    C    -3.65400   -0.27708   0.54096   
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 C1404    C    -3.69994   -0.26403   0.44540   
 C1405    C    -3.69966   -0.39619   0.65967   
 C1406    C    -3.58191   -0.23138   0.62736   
 C1407    C    -3.56259   -0.23651   0.62278   
 C1408    C    -3.55846   -0.25397   0.61446   
 C1409    C    -3.57329   -0.26608   0.61186   
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 C1413    C    -3.56311   -0.35106   0.81018   
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 C1415    C    -3.57343   -0.34140   0.73345   
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 C1418    C    -3.54730   -0.35502   0.84384   
 C1419    C    -3.54686   -0.22344   0.62693   
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 C1422    C    -3.59445   -0.29346   0.66716   
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 H1439    H    -3.65981   -0.36049   0.74789   
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 H1441    H    -3.67924   -0.29347   0.44795   
 H1442    H    -3.65309   -0.30131   0.50340   
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 H1444    H    -3.58500   -0.21781   0.63345   
 H1445    H    -3.54350   -0.25788   0.61010   
 H1446    H    -3.56981   -0.27956   0.60561   
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 H1448    H    -3.58576   -0.35661   0.85917   
 H1449    H    -3.54369   -0.34502   0.75386   
 H1450    H    -3.56979   -0.33721   0.69823   
 H1451    H    -3.61215   -0.34898   0.80400   
 H1452    H    -3.62397   -0.25759   0.56157   
 H1453    H    -3.66628   -0.33216   0.62350   
 H1454    H    -3.58453   -0.28404   0.67852   
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 O1460    O    -3.70742   -0.24916   0.44983   
 O1461    O    -3.70511   -0.27548   0.41607   
 O1462    O    -3.52952   -0.22871   0.62469   
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 H1479    H    -3.72406   -0.29982   0.42432   
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 H1485    H    -3.72300   -0.38644   0.57273   
 H1486    H    -3.76531   -0.37500   0.61442   
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 Zr1490   Zr   -3.26809   -0.23555   0.41514   
 Zr1491   Zr   -3.22886   -0.26496   0.41047   
 Zr1492   Zr   -3.27161   -0.41813   0.59098   
 Zr1493   Zr   -3.73193   -0.23554   0.41518   
 Zr1494   Zr   -3.72847   -0.27634   0.35929   
 Zr1495   Zr   -3.77125   -0.40675   0.64218   
 Zr1496   Zr   -3.49968   -0.21477   0.62426   
 O1497    O    -3.25832   -0.26044   0.40381   
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 C1505    C    -4.18243   0.58455    0.52662   
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 C1507    C    -4.16039   0.60574    0.49402   
 C1508    C    -4.15489   0.59421    0.45830   
 C1509    C    -4.16341   0.57769    0.45781   
 C1510    C    -4.17676   0.69530    0.29164   
 C1511    C    -4.18243   0.70108    0.33614   
 C1512    C    -4.17320   0.69423    0.37574   
 C1513    C    -4.15907   0.68159    0.37105   
 C1514    C    -4.15357   0.67543    0.32656   
 C1515    C    -4.16251   0.68275    0.28699   
 C1516    C    -4.19780   0.57970    0.56066   
 C1517    C    -4.19836   0.71397    0.34032   
 C1518    C    -4.08226   0.66882    0.17610   
 C1519    C    -4.06284   0.66763    0.18978   
 C1520    C    -4.05849   0.66229    0.23553   
 C1521    C    -4.07321   0.65789    0.26648   
 C1522    C    -4.09272   0.65862    0.25268   
 C1523    C    -4.09694   0.66444    0.20713   
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 C1534    C    -4.15307   0.64197    0.37676   
 C1535    C    -4.12366   0.66588    0.28978   
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 H1559    H    -4.11190   0.66537    0.19583   
 H1560    H    -4.08484   0.53430    0.36682   
 H1561    H    -4.04338   0.57443    0.39015   
 H1562    H    -4.06970   0.59608    0.39464   
 H1563    H    -4.11149   0.55572    0.37198   
 H1564    H    -4.12389   0.67750    0.26964   
 H1565    H    -4.08441   0.60069    0.32150   
 H1566    H    -4.16621   0.64881    0.37653   
 H1567    H    -4.12394   0.57424    0.43845   
 H1568    H    -4.08440   0.62701    0.27847   
 H1569    H    -4.16622   0.62249    0.41956   
 O1570    O    -4.20703   0.71794    0.30260   
 O1571    O    -4.20596   0.56521    0.55435   
 O1572    O    -4.20189   0.59045    0.59282   
 O1573    O    -4.20241   0.71974    0.38073   
 O1574    O    -4.02977   0.66993    0.17048   
 O1575    O    -4.05210   0.67650    0.11555   
 O1576    O    -4.05195   0.52443    0.36778   
 O1577    O    -4.02939   0.54534    0.37535   
 C1578    C    -3.82315   0.57311    0.49115   
 C1579    C    -3.81746   0.58488    0.52586   
 C1580    C    -3.82661   0.60102    0.52793   
 C1581    C    -3.84072   0.60546    0.49541   
 C1582    C    -3.84624   0.59385    0.45981   
 C1583    C    -3.83733   0.57753    0.45882   
 C1584    C    -3.82328   0.69537    0.29092   
 C1585    C    -3.81784   0.70142    0.33532   
 C1586    C    -3.82651   0.69415    0.37511   
 C1587    C    -3.84003   0.68094    0.37060   
 C1588    C    -3.84547   0.67468    0.32624   
 C1589    C    -3.83690   0.68226    0.28649   
 C1590    C    -3.80162   0.58015    0.55889   
 C1591    C    -3.80239   0.71472    0.33971   
 C1592    C    -3.91810   0.66989    0.17764   
 C1593    C    -3.93745   0.66904    0.19205   
 C1594    C    -3.94159   0.66352    0.23774   
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 C1596    C    -3.90736   0.65902    0.25340   
 C1597    C    -3.90333   0.66502    0.20793   
 C1598    C    -3.91795   0.54762    0.37782   
 C1599    C    -3.93727   0.55267    0.38337   
 C1600    C    -3.94149   0.57023    0.38984   
 C1601    C    -3.92675   0.58247    0.38996   
 C1602    C    -3.90731   0.57755    0.38405   
 C1603    C    -3.90324   0.55986    0.37833   
 C1604    C    -3.95308   0.67362    0.15833   
 C1605    C    -3.95300   0.53957    0.37988   
 C1606    C    -3.89263   0.65491    0.28496   
 C1607    C    -3.89250   0.63941    0.31328   
 C1608    C    -3.90563   0.62632    0.30636   
 C1609    C    -3.87630   0.66587    0.28977   
 C1610    C    -3.87768   0.63577    0.34574   
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 H1622    H    -3.81610   0.56059    0.48980   
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 H1626    H    -3.81650   0.70100    0.26026   
 H1627    H    -3.82216   0.69876    0.40947   
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 H1629    H    -3.84088   0.67772    0.25179   
 H1630    H    -3.91495   0.67425    0.14233   
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 H1633    H    -3.88842   0.66568    0.19600   
 H1634    H    -3.91478   0.53403    0.37270   
 H1635    H    -3.95645   0.57412    0.39374   
 H1636    H    -3.93034   0.59602    0.39450   
 H1637    H    -3.88835   0.55569    0.37389   
 H1638    H    -3.83382   0.62249    0.41955   
 H1639    H    -3.87607   0.67750    0.26964   
 H1640    H    -3.87612   0.57423    0.43845   
 H1641    H    -3.91555   0.62701    0.27848   
 H1642    H    -3.83381   0.64881    0.37652   
 H1643    H    -3.91556   0.60069    0.32151   
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 O1645    O    -3.79761   0.59062    0.59167   
 O1646    O    -3.79300   0.56596    0.55091   
 O1647    O    -3.79828   0.72014    0.38052   
 O1648    O    -3.94794   0.52427    0.36970   
 O1649    O    -3.97035   0.67375    0.17321   
 O1650    O    -3.94786   0.67673    0.11651   
 O1651    O    -3.97024   0.54466    0.38633   
 H1652    H    -4.23536   0.58720    0.54810   
 O1653    O    -4.23923   0.58178    0.57700   
 H1654    H    -4.19016   0.74065    0.41878   
 H1655    H    -4.19911   0.75946    0.41691   
 H1656    H    -4.18963   0.77864    0.36728   
 O1657    O    -4.20082   0.77722    0.38692   
 O1658    O    -4.20001   0.74779    0.43288   
 H1659    H    -4.29975   0.52943    0.59446   
 H1660    H    -4.30067   0.55686    0.58199   
 H1661    H    -4.29632   0.56502    0.53231   
 O1662    O    -4.29927   0.56815    0.56425   
 O1663    O    -4.29950   0.53954    0.61402   
 H1664    H    -4.23650   0.70681    0.35061   
 O1665    O    -4.24070   0.71868    0.35067   
 H1666    H    -3.76357   0.58687    0.54662   
 O1667    O    -3.75939   0.58136    0.57513   
 H1668    H    -3.76471   0.70712    0.35199   
 O1669    O    -3.76084   0.71908    0.35249   
 Zr1670   Zr   -4.22633   0.59163    0.64655   
 Zr1671   Zr   -4.27333   0.72462    0.35203   
 Zr1672   Zr   -3.72674   0.57908    0.59009   
 Zr1673   Zr   -3.77377   0.73717    0.40848   
 Zr1674   Zr   -3.99955   0.53148    0.37567   
 Zr1675   Zr   -3.96371   0.50007    0.35006   
 O1676    O    -4.26084   0.55612    0.59934   
 O1677    O    -3.77619   0.56594    0.64351   
 C1678    C    -4.24139   0.37262    0.71385   
 C1679    C    -4.25506   0.38227    0.73898   
 C1680    C    -4.26834   0.39243    0.71415   
 C1681    C    -4.26767   0.39328    0.66550   
 C1682    C    -4.25373   0.38392    0.64001   
 C1683    C    -4.24081   0.37342    0.66519   
 C1684    C    -4.24132   0.49483    0.51337   
 C1685    C    -4.25521   0.49864    0.54765   
 C1686    C    -4.26807   0.48563    0.56163   
 C1687    C    -4.26687   0.46914    0.54241   
 C1688    C    -4.25287   0.46515    0.50827   
 C1689    C    -4.24024   0.47839    0.49396   
 C1690    C    -4.25487   0.38181    0.79122   
 C1691    C    -4.25546   0.51598    0.57024   
 C1692    C    -4.24004   0.32239    0.48469   
 C1693    C    -4.25333   0.31869    0.44899   
 C1694    C    -4.26682   0.33134    0.43608   
 C1695    C    -4.26673   0.34743    0.45774   
 C1696    C    -4.25314   0.35142    0.49279   
 C1697    C    -4.24002   0.33848    0.50630   
 C1698    C    -4.23997   0.44291    0.28590   
 C1699    C    -4.25361   0.43318    0.26094   
 C1700    C    -4.26696   0.42309    0.28579   
 C1701    C    -4.26638   0.42241    0.33445   
 C1702    C    -4.25248   0.43188    0.35978   
 C1703    C    -4.23950   0.44232    0.33458   
 C1704    C    -4.25363   0.43367    0.20874   
 C1705    C    -4.25296   0.30174    0.42444   
 C1706    C    -4.25386   0.43251    0.40905   
 C1707    C    -4.25471   0.41682    0.43657   
 C1708    C    -4.25262   0.40078    0.41637   
 C1709    C    -4.25267   0.44814    0.43490   
 C1710    C    -4.25542   0.41694    0.48593   
 C1711    C    -4.25392   0.38414    0.59098   
 C1712    C    -4.25476   0.39983    0.56348   
 C1713    C    -4.25267   0.41587    0.58366   
 C1714    C    -4.25269   0.36850    0.56512   
 C1715    C    -4.25543   0.39971    0.51409   
 C1716    C    -4.25389   0.36737    0.51553   
 C1717    C    -4.25473   0.38367    0.49077   
 C1718    C    -4.25263   0.38457    0.44287   
 C1719    C    -4.25389   0.44928    0.48449   
 C1720    C    -4.25474   0.43299    0.50928   
 C1721    C    -4.25267   0.43208    0.55716   
 H1722    H    -4.23120   0.36471    0.73316   
 H1723    H    -4.27889   0.39990    0.73372   
 H1724    H    -4.27793   0.40141    0.64704   
 H1725    H    -4.23005   0.36591    0.64635   
 H1726    H    -4.23136   0.50493    0.50279   
 H1727    H    -4.27872   0.48856    0.58843   
 H1728    H    -4.27683   0.45920    0.55412   
 H1729    H    -4.22934   0.47569    0.46752   
 H1730    H    -4.22973   0.31248    0.49472   
 H1731    H    -4.27726   0.32834    0.40895   
 H1732    H    -4.27723   0.35712    0.44714   
 H1733    H    -4.22953   0.34115    0.53377   
 H1734    H    -4.22978   0.45079    0.26643   
 H1735    H    -4.27772   0.41583    0.26632   
 H1736    H    -4.27677   0.41446    0.35307   
 H1737    H    -4.22877   0.44986    0.35338   
 H1738    H    -4.24946   0.41697    0.61957   
 H1739    H    -4.25220   0.45996    0.41560   
 H1740    H    -4.25225   0.35669    0.58442   
 H1741    H    -4.24938   0.39968    0.38045   
 H1742    H    -4.24945   0.44329    0.57655   
 H1743    H    -4.24939   0.37336    0.42347   
 O1744    O    -4.24216   0.52640    0.55843   
 O1745    O    -4.26813   0.38980    0.81288   
 O1746    O    -4.24102   0.37361    0.81018   
 O1747    O    -4.26860   0.51900    0.60023   
 O1748    O    -4.26509   0.29936    0.39169   
 O1749    O    -4.24043   0.29092    0.43823   
 O1750    O    -4.24157   0.44379    0.18958   
 O1751    O    -4.26561   0.42406    0.18735   
 C1752    C    -3.76004   0.32249    0.48268   
 C1753    C    -3.74639   0.31885    0.44779   
 C1754    C    -3.73304   0.33165    0.43518   
 C1755    C    -3.73361   0.34786    0.45622   
 C1756    C    -3.74749   0.35174    0.49073   
 C1757    C    -3.76052   0.33865    0.50395   
 C1758    C    -3.75985   0.44358    0.28673   
 C1759    C    -3.74661   0.43359    0.26127   
 C1760    C    -3.73311   0.42351    0.28558   
 C1761    C    -3.73316   0.42310    0.33428   
 C1762    C    -3.74672   0.43272    0.36016   
 C1763    C    -3.75986   0.44315    0.33543   
 C1764    C    -3.74701   0.43344    0.20916   
 C1765    C    -3.74634   0.30157    0.42473   
 C1766    C    -3.75901   0.37248    0.71400   
 C1767    C    -3.74512   0.38181    0.73915   
 C1768    C    -3.73228   0.39252    0.71472   
 C1769    C    -3.73347   0.39402    0.66618   
 C1770    C    -3.74741   0.38474    0.64057   
 C1771    C    -3.76008   0.37387    0.66548   
 C1772    C    -3.75873   0.49471    0.51386   
 C1773    C    -3.74508   0.49836    0.54878   
 C1774    C    -3.73178   0.48551    0.56138   
 C1775    C    -3.73248   0.46928    0.54052   
 C1776    C    -3.74640   0.46536    0.50615   
 C1777    C    -3.75933   0.47851    0.49279   
 C1778    C    -3.74480   0.38097    0.79125   
 C1779    C    -3.74531   0.51556    0.57235   
 C1780    C    -3.74620   0.44928    0.48449   
 C1781    C    -3.74536   0.43298    0.50926   
 C1782    C    -3.74746   0.43208    0.55715   
 C1783    C    -3.74739   0.44815    0.43492   
 C1784    C    -3.74466   0.41694    0.48593   
 C1785    C    -3.74620   0.36737    0.51553   
 C1786    C    -3.74535   0.38366    0.49074   
 C1787    C    -3.74743   0.38456    0.44286   
 C1788    C    -3.74744   0.36850    0.56510   
 C1789    C    -3.74467   0.39971    0.51410   
 C1790    C    -3.74623   0.38414    0.59097   
 C1791    C    -3.74538   0.39983    0.56346   
 C1792    C    -3.74747   0.41587    0.58366   
 C1793    C    -3.74617   0.43250    0.40905   
 C1794    C    -3.74534   0.41681    0.43654   
 C1795    C    -3.74742   0.40078    0.41636   
 H1796    H    -3.77023   0.31246    0.49252   
 H1797    H    -3.72227   0.32870    0.40870   
 H1798    H    -3.72321   0.35765    0.44584   
 H1799    H    -3.77124   0.34124    0.53082   
 H1800    H    -3.77015   0.45145    0.26761   
 H1801    H    -3.72271   0.41601    0.26571   
 H1802    H    -3.72266   0.41515    0.35256   
 H1803    H    -3.77031   0.45088    0.35458   
 H1804    H    -3.76897   0.36427    0.73312   
 H1805    H    -3.72164   0.39987    0.73437   
 H1806    H    -3.72349   0.40251    0.64789   
 H1807    H    -3.77096   0.36654    0.64660   
 H1808    H    -3.76890   0.50473    0.50399   
 H1809    H    -3.72120   0.48833    0.58846   
 H1810    H    -3.72220   0.45943    0.55129   
 H1811    H    -3.77009   0.47592    0.46597   
 H1812    H    -3.74785   0.45996    0.41561   
 H1813    H    -3.75065   0.37336    0.42348   
 H1814    H    -3.75070   0.44329    0.57655   
 H1815    H    -3.74790   0.35669    0.58442   
 H1816    H    -3.75063   0.39968    0.38045   
 H1817    H    -3.75071   0.41697    0.61958   
 O1818    O    -3.73432   0.29903    0.39182   
 O1819    O    -3.75840   0.29057    0.44009   
 O1820    O    -3.75952   0.44298    0.18961   
 O1821    O    -3.73489   0.42385    0.18820   
 O1822    O    -3.75919   0.52555    0.56169   
 O1823    O    -3.75807   0.37219    0.81063   
 O1824    O    -3.73163   0.38930    0.81251   
 O1825    O    -3.73210   0.51889    0.60178   
 H1826    H    -3.79985   0.25230    0.35749   
 O1827    O    -3.78604   0.25170    0.35391   
 H1828    H    -4.27152   0.27133    0.44307   
 O1829    O    -4.26600   0.26557    0.41632   
 H1830    H    -3.70387   0.52902    0.59131   
 H1831    H    -3.69951   0.54906    0.59497   
 H1832    H    -3.70036   0.56594    0.53500   
 O1833    O    -3.70065   0.56758    0.56843   
 O1834    O    -3.70091   0.53799    0.61371   
 H1835    H    -4.02834   0.51854    0.43649   
 O1836    O    -4.02004   0.51324    0.41354   
 H1837    H    -3.97180   0.46801    0.40049   
 O1838    O    -3.97986   0.47661    0.38587   
 H1839    H    -3.98645   0.30642    0.49320   
 H1840    H    -3.99976   0.29354    0.52176   
 H1841    H    -3.98944   0.26908    0.54766   
 O1842    O    -4.00034   0.27639    0.55448   
 O1843    O    -3.99926   0.30533    0.50627   
 H1844    H    -3.98928   0.54759    0.45223   
 H1845    H    -3.99966   0.52317    0.47822   
 H1846    H    -3.98638   0.51031    0.50677   
 O1847    O    -3.99920   0.51139    0.49372   
 O1848    O    -4.00020   0.54032    0.44542   
 H1849    H    -4.00032   0.36393    0.58692   
 H1850    H    -4.01082   0.35431    0.52100   
 H1851    H    -4.01349   0.37454    0.62188   
 O1852    O    -3.99983   0.35181    0.54051   
 O1853    O    -4.00071   0.36967    0.61884   
 H1854    H    -4.02846   0.29811    0.56352   
 O1855    O    -4.02016   0.30342    0.58640   
 H1856    H    -3.97186   0.34872    0.59942   
 O1857    O    -3.97993   0.34012    0.61404   
 H1858    H    -4.01342   0.44215    0.37809   
 H1859    H    -4.01074   0.46240    0.47895   
 H1860    H    -4.00024   0.45277    0.41305   
 O1861    O    -4.00063   0.44702    0.38116   
 O1862    O    -3.99974   0.46490    0.45946   
 Zr1863   Zr   -4.23193   0.55207    0.58473   
 Zr1864   Zr   -3.76824   0.55206    0.58469   
 Zr1865   Zr   -4.03616   0.50000    0.35013   
 Zr1866   Zr   -4.00046   0.32608    0.56467   
 Zr1867   Zr   -4.00039   0.49061    0.43528   
 O1868    O    -4.22400   0.56484    0.64542   
 O1869    O    -3.75704   0.27271    0.35172   
 O1870    O    -3.73931   0.55501    0.60121   
 O1871    O    -4.24167   0.27237    0.35019   
 O1872    O    -3.98477   0.30742    0.60470   
 O1873    O    -4.01544   0.33339    0.62456   
 O1874    O    -4.01537   0.48326    0.37541   
 O1875    O    -3.98466   0.50931    0.39520   
 C1876    C    -3.82246   0.12239    0.70953   
 C1877    C    -3.81632   0.11678    0.66524   
 C1878    C    -3.82545   0.12339    0.62522   
 C1879    C    -3.84008   0.13561    0.62943   
 C1880    C    -3.84599   0.14165    0.67368   
 C1881    C    -3.83709   0.13458    0.71363   
 C1882    C    -3.82184   0.24305    0.51140   
 C1883    C    -3.81617   0.23120    0.47691   
 C1884    C    -3.82539   0.21509    0.47468   
 C1885    C    -3.83965   0.21078    0.50699   
 C1886    C    -3.84518   0.22246    0.54230   
 C1887    C    -3.83620   0.23876    0.54345   
 C1888    C    -3.80047   0.23588    0.44354   
 C1889    C    -3.80016   0.10425    0.66056   
 C1890    C    -3.91819   0.26906    0.62282   
 C1891    C    -3.93751   0.26405    0.61713   
 C1892    C    -3.94181   0.24651    0.61084   
 C1893    C    -3.92712   0.23422    0.61087   
 C1894    C    -3.90768   0.23911    0.61672   
 C1895    C    -3.90352   0.25679    0.62242   
 C1896    C    -3.91827   0.14666    0.82223   
 C1897    C    -3.93760   0.14755    0.80772   
 C1898    C    -3.94166   0.15302    0.76191   
 C1899    C    -3.92682   0.15794    0.73191   
 C1900    C    -3.90740   0.15747    0.74651   
 C1901    C    -3.90342   0.15147    0.79205   
 C1902    C    -3.95318   0.27717    0.62023   
 C1903    C    -3.95331   0.14309    0.84141   
 C1904    C    -3.86126   0.21848    0.57086   
 C1905    C    -3.86226   0.20230    0.59615   
 C1906    C    -3.84701   0.19089    0.59676   
 C1907    C    -3.87639   0.23042    0.58004   
 C1908    C    -3.87777   0.19811    0.62613   
 C1909    C    -3.89277   0.16174    0.71506   
 C1910    C    -3.89261   0.17724    0.68671   
 C1911    C    -3.90576   0.19033    0.69365   
 C1912    C    -3.87643   0.15077    0.71024   
 C1913    C    -3.87778   0.18088    0.65430   
 C1914    C    -3.86129   0.15335    0.67734   
 C1915    C    -3.86228   0.16915    0.65035   
 C1916    C    -3.84702   0.17468    0.62326   
 C1917    C    -3.89274   0.22687    0.60858   
 C1918    C    -3.89260   0.21039    0.63251   
 C1919    C    -3.90575   0.20654    0.66715   
 H1920    H    -3.81542   0.11710    0.74036   
 H1921    H    -3.82087   0.11883    0.59107   
 H1922    H    -3.84694   0.14067    0.59803   
 H1923    H    -3.84158   0.13883    0.74823   
 H1924    H    -3.81473   0.25554    0.51265   
 H1925    H    -3.82120   0.20609    0.44739   
 H1926    H    -3.84657   0.19821    0.50485   
 H1927    H    -3.84036   0.24805    0.57009   
 H1928    H    -3.91498   0.28265    0.62791   
 H1929    H    -3.95680   0.24266    0.60691   
 H1930    H    -3.93075   0.22066    0.60637   
 H1931    H    -3.88865   0.26093    0.62694   
 H1932    H    -3.91519   0.14231    0.85758   
 H1933    H    -3.95664   0.15372    0.75067   
 H1934    H    -3.93030   0.16237    0.69678   
 H1935    H    -3.88856   0.15077    0.80410   
 H1936    H    -3.87615   0.24241    0.56157   
 H1937    H    -3.91569   0.18964    0.72155   
 H1938    H    -3.83387   0.19416    0.58047   
 H1939    H    -3.87620   0.13915    0.73038   
 H1940    H    -3.91568   0.21596    0.67852   
 H1941    H    -3.83388   0.16784    0.62349   
 O1942    O    -3.79502   0.10000    0.61941   
 O1943    O    -3.79271   0.09875    0.69831   
 O1944    O    -3.79361   0.25103    0.44700   
 O1945    O    -3.79510   0.22450    0.41422   
 O1946    O    -3.94811   0.14003    0.88328   
 O1947    O    -3.94809   0.29248    0.63024   
 O1948    O    -3.97043   0.27211    0.61366   
 O1949    O    -3.97057   0.14299    0.82655   
 C1950    C    -4.17832   0.12270    0.70848   
 C1951    C    -4.18399   0.11692    0.66399   
 C1952    C    -4.17478   0.12372    0.62436   
 C1953    C    -4.16051   0.13628    0.62899   
 C1954    C    -4.15495   0.14238    0.67349   
 C1955    C    -4.16397   0.13516    0.71313   
 C1956    C    -4.17759   0.24357    0.51156   
 C1957    C    -4.18375   0.23169    0.47761   
 C1958    C    -4.17461   0.21557    0.47474   
 C1959    C    -4.15994   0.21126    0.50591   
 C1960    C    -4.15400   0.22292    0.54096   
 C1961    C    -4.16291   0.23923    0.54266   
 C1962    C    -4.19994   0.23597    0.44540   
 C1963    C    -4.19966   0.10381    0.65967   
 C1964    C    -4.08191   0.26862    0.62736   
 C1965    C    -4.06259   0.26349    0.62278   
 C1966    C    -4.05846   0.24603    0.61446   
 C1967    C    -4.07329   0.23392    0.61186   
 C1968    C    -4.09273   0.23892    0.61726   
 C1969    C    -4.09673   0.25654    0.62443   
 C1970    C    -4.08251   0.14766    0.82385   
 C1971    C    -4.06311   0.14894    0.81018   
 C1972    C    -4.05872   0.15426    0.76446   
 C1973    C    -4.07343   0.15860    0.73345   
 C1974    C    -4.09295   0.15779    0.74717   
 C1975    C    -4.09719   0.15198    0.79271   
 C1976    C    -4.04730   0.14498    0.84384   
 C1977    C    -4.04686   0.27656    0.62693   
 C1978    C    -4.10743   0.22687    0.60858   
 C1979    C    -4.10758   0.21040    0.63254   
 C1980    C    -4.09445   0.20654    0.66716   
 C1981    C    -4.12375   0.23042    0.58005   
 C1982    C    -4.12240   0.19811    0.62612   
 C1983    C    -4.13891   0.15335    0.67734   
 C1984    C    -4.13792   0.16915    0.65037   
 C1985    C    -4.15314   0.17468    0.62328   
 C1986    C    -4.12380   0.15077    0.71023   
 C1987    C    -4.12240   0.18088    0.65430   
 C1988    C    -4.10746   0.16174    0.71506   
 C1989    C    -4.10759   0.17724    0.68674   
 C1990    C    -4.09446   0.19033    0.69366   
 C1991    C    -4.13888   0.21848    0.57086   
 C1992    C    -4.13790   0.20231    0.59617   
 C1993    C    -4.15313   0.19089    0.59678   
 H1994    H    -4.18542   0.11728    0.73902   
 H1995    H    -4.17897   0.11901    0.58998   
 H1996    H    -4.15360   0.14145    0.59785   
 H1997    H    -4.15981   0.13951    0.74789   
 H1998    H    -4.18464   0.25606    0.51325   
 H1999    H    -4.17924   0.20653    0.44795   
 H2000    H    -4.15309   0.19869    0.50340   
 H2001    H    -4.15841   0.24855    0.56897   
 H2002    H    -4.08500   0.28219    0.63345   
 H2003    H    -4.04350   0.24212    0.61010   
 H2004    H    -4.06981   0.22044    0.60561   
 H2005    H    -4.11161   0.26077    0.62826   
 H2006    H    -4.08576   0.14339    0.85917   
 H2007    H    -4.04369   0.15498    0.75386   
 H2008    H    -4.06979   0.16279    0.69823   
 H2009    H    -4.11215   0.15102    0.80400   
 H2010    H    -4.12397   0.24241    0.56157   
 H2011    H    -4.16628   0.16784    0.62350   
 H2012    H    -4.08453   0.21596    0.67852   
 H2013    H    -4.12402   0.13915    0.73039   
 H2014    H    -4.16627   0.19416    0.58048   
 H2015    H    -4.08454   0.18964    0.72154   
 O2016    O    -4.20498   0.09949    0.61874   
 O2017    O    -4.20649   0.09784    0.69764   
 O2018    O    -4.20742   0.25084    0.44983   
 O2019    O    -4.20511   0.22452    0.41607   
 O2020    O    -4.02952   0.27129    0.62469   
 O2021    O    -4.05210   0.29217    0.63227   
 O2022    O    -4.05238   0.14013    0.88445   
 O2023    O    -4.03003   0.14674    0.82958   
 H2024    H    -3.75452   0.20399    0.41881   
 H2025    H    -3.73482   0.21115    0.47368   
 H2026    H    -3.77711   0.20291    0.42669   
 O2027    O    -3.73403   0.21051    0.44005   
 O2028    O    -3.76735   0.20176    0.40269   
 H2029    H    -3.72852   0.27037    0.44473   
 O2030    O    -3.73403   0.26431    0.41850   
 H2031    H    -3.73640   0.12443    0.62159   
 H2032    H    -3.77602   0.11402    0.56503   
 H2033    H    -3.74580   0.11280    0.58212   
 O2034    O    -3.73337   0.11534    0.59958   
 O2035    O    -3.76581   0.10587    0.55908   
 H2036    H    -4.25428   0.20633    0.42933   
 H2037    H    -4.22406   0.20018    0.42432   
 H2038    H    -4.26371   0.21378    0.47557   
 O2039    O    -4.23427   0.20205    0.40201   
 O2040    O    -4.26673   0.21084    0.44351   
 H2041    H    -4.20015   0.25136    0.35923   
 O2042    O    -4.21395   0.25044    0.35614   
 H2043    H    -4.22300   0.11356    0.57273   
 H2044    H    -4.26531   0.12500    0.61442   
 H2045    H    -4.24558   0.11047    0.57163   
 O2046    O    -4.23277   0.10627    0.55880   
 O2047    O    -4.26610   0.11434    0.59719   
 Zr2048   Zr   -3.76809   0.26445    0.41514   
 Zr2049   Zr   -3.72886   0.23504    0.41047   
 Zr2050   Zr   -3.77161   0.08187    0.59098   
 Zr2051   Zr   -4.23193   0.26446    0.41518   
 Zr2052   Zr   -4.22847   0.22366    0.35929   
 Zr2053   Zr   -4.27125   0.09325    0.64218   
 Zr2054   Zr   -3.99968   0.28523    0.62426   
 O2055    O    -3.75832   0.23956    0.40381   
 O2056    O    -4.24296   0.23990    0.40535   
 H2057    H    -0.81038   -1.25789   0.42663   
 H2058    H    -0.80093   -1.23273   0.40396   
 H2059    H    -0.80987   -1.22334   0.35978   
 O2060    O    -0.80001   -1.22205   0.38348   
 O2061    O    -0.79922   -1.25082   0.43253   
 H2062    H    -1.31038   -0.75789   0.42663   
 H2063    H    -1.30093   -0.73273   0.40396   
 H2064    H    -1.30987   -0.72334   0.35978   
 O2065    O    -1.30001   -0.72205   0.38348   
 O2066    O    -1.29922   -0.75082   0.43253   
 C2067    C    -1.67702   -0.92705   0.49128   
 C2068    C    -1.68243   -0.91545   0.52662   
 C2069    C    -1.67389   -0.89904   0.52778   
 C2070    C    -1.66039   -0.89426   0.49402   
 C2071    C    -1.65489   -0.90579   0.45830   
 C2072    C    -1.66341   -0.92231   0.45781   
 C2073    C    -1.67676   -0.80470   0.29164   
 C2074    C    -1.68243   -0.79892   0.33614   
 C2075    C    -1.67320   -0.80577   0.37574   
 C2076    C    -1.65907   -0.81841   0.37105   
 C2077    C    -1.65357   -0.82457   0.32656   
 C2078    C    -1.66251   -0.81725   0.28699   
 C2079    C    -1.69780   -0.92030   0.56066   
 C2080    C    -1.69836   -0.78603   0.34032   
 C2081    C    -1.58226   -0.83118   0.17610   
 C2082    C    -1.56284   -0.83237   0.18978   
 C2083    C    -1.55849   -0.83771   0.23553   
 C2084    C    -1.57321   -0.84211   0.26648   
 C2085    C    -1.59272   -0.84138   0.25268   
 C2086    C    -1.59694   -0.83556   0.20713   
 C2087    C    -1.58177   -0.95213   0.37293   
 C2088    C    -1.56246   -0.94694   0.37747   
 C2089    C    -1.55834   -0.92947   0.38580   
 C2090    C    -1.57318   -0.91740   0.38840   
 C2091    C    -1.59260   -0.92244   0.38295   
 C2092    C    -1.59660   -0.94007   0.37583   
 C2093    C    -1.54673   -0.95998   0.37321   
 C2094    C    -1.54704   -0.82835   0.15618   
 C2095    C    -1.63880   -0.83670   0.32268   
 C2096    C    -1.63781   -0.85250   0.34967   
 C2097    C    -1.65307   -0.85803   0.37676   
 C2098    C    -1.62366   -0.83412   0.28978   
 C2099    C    -1.62231   -0.86424   0.34573   
 C2100    C    -1.60736   -0.91022   0.39144   
 C2101    C    -1.60750   -0.89374   0.36751   
 C2102    C    -1.59434   -0.88989   0.33287   
 C2103    C    -1.62370   -0.91377   0.41998   
 C2104    C    -1.62232   -0.88147   0.37389   
 C2105    C    -1.63884   -0.90184   0.42916   
 C2106    C    -1.63783   -0.88566   0.40387   
 C2107    C    -1.65308   -0.87424   0.40327   
 C2108    C    -1.60732   -0.84509   0.28496   
 C2109    C    -1.60748   -0.86059   0.31331   
 C2110    C    -1.59433   -0.87368   0.30637   
 H2111    H    -1.68375   -0.93969   0.49042   
 H2112    H    -1.67827   -0.89003   0.55495   
 H2113    H    -1.65406   -0.88142   0.49528   
 H2114    H    -1.65941   -0.93147   0.43068   
 H2115    H    -1.68383   -0.79928   0.26111   
 H2116    H    -1.67762   -0.80130   0.41022   
 H2117    H    -1.65229   -0.82371   0.40224   
 H2118    H    -1.65839   -0.82162   0.25218   
 H2119    H    -1.58551   -0.82690   0.14074   
 H2120    H    -1.54347   -0.83837   0.24620   
 H2121    H    -1.56958   -0.84632   0.30173   
 H2122    H    -1.61190   -0.83463   0.19583   
 H2123    H    -1.58484   -0.96570   0.36682   
 H2124    H    -1.54338   -0.92557   0.39015   
 H2125    H    -1.56970   -0.90392   0.39464   
 H2126    H    -1.61149   -0.94428   0.37198   
 H2127    H    -1.62389   -0.82250   0.26964   
 H2128    H    -1.58441   -0.89931   0.32150   
 H2129    H    -1.66621   -0.85119   0.37653   
 H2130    H    -1.62394   -0.92576   0.43845   
 H2131    H    -1.58440   -0.87299   0.27847   
 H2132    H    -1.66622   -0.87751   0.41956   
 O2133    O    -1.70703   -0.78206   0.30260   
 O2134    O    -1.70596   -0.93479   0.55435   
 O2135    O    -1.70189   -0.90955   0.59282   
 O2136    O    -1.70241   -0.78026   0.38073   
 O2137    O    -1.52977   -0.83007   0.17048   
 O2138    O    -1.55210   -0.82350   0.11555   
 O2139    O    -1.55195   -0.97557   0.36778   
 O2140    O    -1.52939   -0.95466   0.37535   
 C2141    C    -1.32315   -0.92689   0.49115   
 C2142    C    -1.31746   -0.91512   0.52586   
 C2143    C    -1.32661   -0.89898   0.52793   
 C2144    C    -1.34072   -0.89454   0.49541   
 C2145    C    -1.34624   -0.90615   0.45981   
 C2146    C    -1.33733   -0.92247   0.45882   
 C2147    C    -1.32328   -0.80463   0.29092   
 C2148    C    -1.31784   -0.79858   0.33532   
 C2149    C    -1.32651   -0.80585   0.37511   
 C2150    C    -1.34003   -0.81906   0.37060   
 C2151    C    -1.34547   -0.82532   0.32624   
 C2152    C    -1.33690   -0.81774   0.28649   
 C2153    C    -1.30162   -0.91985   0.55889   
 C2154    C    -1.30239   -0.78528   0.33971   
 C2155    C    -1.41810   -0.83011   0.17764   
 C2156    C    -1.43745   -0.83096   0.19205   
 C2157    C    -1.44159   -0.83648   0.23774   
 C2158    C    -1.42681   -0.84145   0.26788   
 C2159    C    -1.40736   -0.84098   0.25340   
 C2160    C    -1.40333   -0.83498   0.20793   
 C2161    C    -1.41795   -0.95238   0.37782   
 C2162    C    -1.43727   -0.94733   0.38337   
 C2163    C    -1.44149   -0.92977   0.38984   
 C2164    C    -1.42675   -0.91753   0.38996   
 C2165    C    -1.40731   -0.92245   0.38405   
 C2166    C    -1.40324   -0.94014   0.37833   
 C2167    C    -1.45308   -0.82638   0.15833   
 C2168    C    -1.45300   -0.96043   0.37988   
 C2169    C    -1.39263   -0.84509   0.28496   
 C2170    C    -1.39250   -0.86059   0.31328   
 C2171    C    -1.40563   -0.87368   0.30636   
 C2172    C    -1.37630   -0.83413   0.28977   
 C2173    C    -1.37768   -0.86423   0.34574   
 C2174    C    -1.36122   -0.90184   0.42916   
 C2175    C    -1.36219   -0.88566   0.40385   
 C2176    C    -1.34696   -0.87424   0.40325   
 C2177    C    -1.37633   -0.91377   0.41999   
 C2178    C    -1.37770   -0.88147   0.37389   
 C2179    C    -1.39267   -0.91022   0.39144   
 C2180    C    -1.39251   -0.89375   0.36748   
 C2181    C    -1.40564   -0.88990   0.33286   
 C2182    C    -1.36118   -0.83670   0.32268   
 C2183    C    -1.36217   -0.85251   0.34965   
 C2184    C    -1.34695   -0.85803   0.37675   
 H2185    H    -1.31610   -0.93941   0.48980   
 H2186    H    -1.32215   -0.88987   0.55484   
 H2187    H    -1.34745   -0.88188   0.49733   
 H2188    H    -1.34147   -0.93174   0.43204   
 H2189    H    -1.31650   -0.79900   0.26026   
 H2190    H    -1.32216   -0.80124   0.40947   
 H2191    H    -1.34640   -0.82464   0.40193   
 H2192    H    -1.34088   -0.82228   0.25179   
 H2193    H    -1.41495   -0.82575   0.14233   
 H2194    H    -1.45658   -0.83715   0.24879   
 H2195    H    -1.43037   -0.84589   0.30293   
 H2196    H    -1.38842   -0.83432   0.19600   
 H2197    H    -1.41478   -0.96597   0.37270   
 H2198    H    -1.45645   -0.92588   0.39374   
 H2199    H    -1.43034   -0.90398   0.39450   
 H2200    H    -1.38835   -0.94431   0.37389   
 H2201    H    -1.33382   -0.87751   0.41955   
 H2202    H    -1.37607   -0.82250   0.26964   
 H2203    H    -1.37612   -0.92577   0.43845   
 H2204    H    -1.41555   -0.87299   0.27848   
 H2205    H    -1.33381   -0.85119   0.37652   
 H2206    H    -1.41556   -0.89931   0.32151   
 O2207    O    -1.29413   -0.78061   0.30205   
 O2208    O    -1.29761   -0.90938   0.59167   
 O2209    O    -1.29300   -0.93404   0.55091   
 O2210    O    -1.29828   -0.77986   0.38052   
 O2211    O    -1.44794   -0.97573   0.36970   
 O2212    O    -1.47035   -0.82625   0.17321   
 O2213    O    -1.44786   -0.82327   0.11651   
 O2214    O    -1.47024   -0.95534   0.38633   
 H2215    H    -1.73536   -0.91280   0.54810   
 O2216    O    -1.73923   -0.91822   0.57700   
 H2217    H    -1.69016   -0.75935   0.41878   
 H2218    H    -1.69911   -0.74054   0.41691   
 H2219    H    -1.68963   -0.72136   0.36728   
 O2220    O    -1.70082   -0.72278   0.38692   
 O2221    O    -1.70001   -0.75221   0.43288   
 H2222    H    -1.79975   -0.97057   0.59446   
 H2223    H    -1.80067   -0.94314   0.58199   
 H2224    H    -1.79632   -0.93498   0.53231   
 O2225    O    -1.79927   -0.93185   0.56425   
 O2226    O    -1.79950   -0.96046   0.61402   
 H2227    H    -1.73650   -0.79319   0.35061   
 O2228    O    -1.74070   -0.78132   0.35067   
 H2229    H    -1.26357   -0.91313   0.54662   
 O2230    O    -1.25939   -0.91864   0.57513   
 H2231    H    -1.26471   -0.79288   0.35199   
 O2232    O    -1.26084   -0.78092   0.35249   
 Zr2233   Zr   -1.72633   -0.90837   0.64655   
 Zr2234   Zr   -1.77333   -0.77538   0.35203   
 Zr2235   Zr   -1.22674   -0.92092   0.59009   
 Zr2236   Zr   -1.27377   -0.76283   0.40848   
 Zr2237   Zr   -1.49955   -0.96852   0.37567   
 Zr2238   Zr   -1.46371   -0.99993   0.35006   
 O2239    O    -1.76084   -0.94388   0.59934   
 O2240    O    -1.27619   -0.93406   0.64351   
 C2241    C    -1.74139   -1.12738   0.71385   
 C2242    C    -1.75506   -1.11773   0.73898   
 C2243    C    -1.76834   -1.10757   0.71415   
 C2244    C    -1.76767   -1.10672   0.66550   
 C2245    C    -1.75373   -1.11608   0.64001   
 C2246    C    -1.74081   -1.12658   0.66519   
 C2247    C    -1.74132   -1.00517   0.51337   
 C2248    C    -1.75521   -1.00136   0.54765   
 C2249    C    -1.76807   -1.01437   0.56163   
 C2250    C    -1.76687   -1.03086   0.54241   
 C2251    C    -1.75287   -1.03485   0.50827   
 C2252    C    -1.74024   -1.02161   0.49396   
 C2253    C    -1.75487   -1.11819   0.79122   
 C2254    C    -1.75546   -0.98402   0.57024   
 C2255    C    -1.74004   -1.17761   0.48469   
 C2256    C    -1.75333   -1.18131   0.44899   
 C2257    C    -1.76682   -1.16866   0.43608   
 C2258    C    -1.76673   -1.15257   0.45774   
 C2259    C    -1.75314   -1.14858   0.49279   
 C2260    C    -1.74002   -1.16152   0.50630   
 C2261    C    -1.73997   -1.05709   0.28590   
 C2262    C    -1.75361   -1.06682   0.26094   
 C2263    C    -1.76696   -1.07691   0.28579   
 C2264    C    -1.76638   -1.07759   0.33445   
 C2265    C    -1.75248   -1.06812   0.35978   
 C2266    C    -1.73950   -1.05768   0.33458   
 C2267    C    -1.75363   -1.06633   0.20874   
 C2268    C    -1.75296   -1.19826   0.42444   
 C2269    C    -1.75386   -1.06749   0.40905   
 C2270    C    -1.75471   -1.08318   0.43657   
 C2271    C    -1.75262   -1.09922   0.41637   
 C2272    C    -1.75267   -1.05186   0.43490   
 C2273    C    -1.75542   -1.08306   0.48593   
 C2274    C    -1.75392   -1.11586   0.59098   
 C2275    C    -1.75476   -1.10017   0.56348   
 C2276    C    -1.75267   -1.08413   0.58366   
 C2277    C    -1.75269   -1.13150   0.56512   
 C2278    C    -1.75543   -1.10029   0.51409   
 C2279    C    -1.75389   -1.13263   0.51553   
 C2280    C    -1.75473   -1.11633   0.49077   
 C2281    C    -1.75263   -1.11543   0.44287   
 C2282    C    -1.75389   -1.05072   0.48449   
 C2283    C    -1.75474   -1.06701   0.50928   
 C2284    C    -1.75267   -1.06792   0.55716   
 H2285    H    -1.73120   -1.13529   0.73316   
 H2286    H    -1.77889   -1.10010   0.73372   
 H2287    H    -1.77793   -1.09859   0.64704   
 H2288    H    -1.73005   -1.13409   0.64635   
 H2289    H    -1.73136   -0.99507   0.50279   
 H2290    H    -1.77872   -1.01144   0.58843   
 H2291    H    -1.77683   -1.04080   0.55412   
 H2292    H    -1.72934   -1.02431   0.46752   
 H2293    H    -1.72973   -1.18752   0.49472   
 H2294    H    -1.77726   -1.17166   0.40895   
 H2295    H    -1.77723   -1.14288   0.44714   
 H2296    H    -1.72953   -1.15885   0.53377   
 H2297    H    -1.72978   -1.04921   0.26643   
 H2298    H    -1.77772   -1.08417   0.26632   
 H2299    H    -1.77677   -1.08554   0.35307   
 H2300    H    -1.72877   -1.05014   0.35338   
 H2301    H    -1.74946   -1.08303   0.61957   
 H2302    H    -1.75220   -1.04004   0.41560   
 H2303    H    -1.75225   -1.14331   0.58442   
 H2304    H    -1.74938   -1.10032   0.38045   
 H2305    H    -1.74945   -1.05671   0.57655   
 H2306    H    -1.74939   -1.12664   0.42347   
 O2307    O    -1.74216   -0.97360   0.55843   
 O2308    O    -1.76813   -1.11020   0.81288   
 O2309    O    -1.74102   -1.12639   0.81018   
 O2310    O    -1.76860   -0.98100   0.60023   
 O2311    O    -1.76509   -1.20064   0.39169   
 O2312    O    -1.74043   -1.20908   0.43823   
 O2313    O    -1.74157   -1.05621   0.18958   
 O2314    O    -1.76561   -1.07594   0.18735   
 C2315    C    -1.26004   -1.17751   0.48268   
 C2316    C    -1.24639   -1.18115   0.44779   
 C2317    C    -1.23304   -1.16835   0.43518   
 C2318    C    -1.23361   -1.15214   0.45622   
 C2319    C    -1.24749   -1.14826   0.49073   
 C2320    C    -1.26052   -1.16135   0.50395   
 C2321    C    -1.25985   -1.05642   0.28673   
 C2322    C    -1.24661   -1.06641   0.26127   
 C2323    C    -1.23311   -1.07649   0.28558   
 C2324    C    -1.23316   -1.07690   0.33428   
 C2325    C    -1.24672   -1.06728   0.36016   
 C2326    C    -1.25986   -1.05685   0.33543   
 C2327    C    -1.24701   -1.06656   0.20916   
 C2328    C    -1.24634   -1.19843   0.42473   
 C2329    C    -1.25901   -1.12752   0.71400   
 C2330    C    -1.24512   -1.11819   0.73915   
 C2331    C    -1.23228   -1.10748   0.71472   
 C2332    C    -1.23347   -1.10598   0.66618   
 C2333    C    -1.24741   -1.11526   0.64057   
 C2334    C    -1.26008   -1.12613   0.66548   
 C2335    C    -1.25873   -1.00529   0.51386   
 C2336    C    -1.24508   -1.00164   0.54878   
 C2337    C    -1.23178   -1.01449   0.56138   
 C2338    C    -1.23248   -1.03072   0.54052   
 C2339    C    -1.24640   -1.03464   0.50615   
 C2340    C    -1.25933   -1.02149   0.49279   
 C2341    C    -1.24480   -1.11903   0.79125   
 C2342    C    -1.24531   -0.98444   0.57235   
 C2343    C    -1.24620   -1.05072   0.48449   
 C2344    C    -1.24536   -1.06702   0.50926   
 C2345    C    -1.24746   -1.06792   0.55715   
 C2346    C    -1.24739   -1.05185   0.43492   
 C2347    C    -1.24466   -1.08306   0.48593   
 C2348    C    -1.24620   -1.13263   0.51553   
 C2349    C    -1.24535   -1.11634   0.49074   
 C2350    C    -1.24743   -1.11544   0.44286   
 C2351    C    -1.24744   -1.13150   0.56510   
 C2352    C    -1.24467   -1.10029   0.51410   
 C2353    C    -1.24623   -1.11586   0.59097   
 C2354    C    -1.24538   -1.10017   0.56346   
 C2355    C    -1.24747   -1.08413   0.58366   
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 H2363    H    -1.27015   -1.04855   0.26761   
 H2364    H    -1.22271   -1.08399   0.26571   
 H2365    H    -1.22266   -1.08485   0.35256   
 H2366    H    -1.27031   -1.04912   0.35458   
 H2367    H    -1.26897   -1.13573   0.73312   
 H2368    H    -1.22164   -1.10013   0.73437   
 H2369    H    -1.22349   -1.09749   0.64789   
 H2370    H    -1.27096   -1.13346   0.64660   
 H2371    H    -1.26890   -0.99527   0.50399   
 H2372    H    -1.22120   -1.01167   0.58846   
 H2373    H    -1.22220   -1.04057   0.55129   
 H2374    H    -1.27009   -1.02408   0.46597   
 H2375    H    -1.24785   -1.04004   0.41561   
 H2376    H    -1.25065   -1.12664   0.42348   
 H2377    H    -1.25070   -1.05671   0.57655   
 H2378    H    -1.24790   -1.14331   0.58442   
 H2379    H    -1.25063   -1.10032   0.38045   
 H2380    H    -1.25071   -1.08303   0.61958   
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 O2383    O    -1.25952   -1.05702   0.18961   
 O2384    O    -1.23489   -1.07615   0.18820   
 O2385    O    -1.25919   -0.97445   0.56169   
 O2386    O    -1.25807   -1.12781   0.81063   
 O2387    O    -1.23163   -1.11070   0.81251   
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 H2389    H    -1.29985   -1.24770   0.35749   
 O2390    O    -1.28604   -1.24830   0.35391   
 H2391    H    -1.77152   -1.22867   0.44307   
 O2392    O    -1.76600   -1.23443   0.41632   
 H2393    H    -1.20387   -0.97098   0.59131   
 H2394    H    -1.19951   -0.95094   0.59497   
 H2395    H    -1.20036   -0.93406   0.53500   
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 H2398    H    -1.52834   -0.98146   0.43649   
 O2399    O    -1.52004   -0.98676   0.41354   
 H2400    H    -1.47180   -1.03199   0.40049   
 O2401    O    -1.47986   -1.02339   0.38587   
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 H2403    H    -1.49976   -1.20646   0.52176   
 H2404    H    -1.48944   -1.23092   0.54766   
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 H2408    H    -1.49966   -0.97683   0.47822   
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 H2413    H    -1.51082   -1.14569   0.52100   
 H2414    H    -1.51349   -1.12546   0.62188   
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 H2417    H    -1.52846   -1.20189   0.56352   
 O2418    O    -1.52016   -1.19658   0.58640   
 H2419    H    -1.47186   -1.15128   0.59942   
 O2420    O    -1.47993   -1.15988   0.61404   
 H2421    H    -1.51342   -1.05785   0.37809   
 H2422    H    -1.51074   -1.03760   0.47895   
 H2423    H    -1.50024   -1.04723   0.41305   
 O2424    O    -1.50063   -1.05298   0.38116   
 O2425    O    -1.49974   -1.03510   0.45946   
 Zr2426   Zr   -1.73193   -0.94793   0.58473   
 Zr2427   Zr   -1.26824   -0.94794   0.58469   
 Zr2428   Zr   -1.53616   -1.00000   0.35013   
 Zr2429   Zr   -1.50046   -1.17392   0.56467   
 Zr2430   Zr   -1.50039   -1.00939   0.43528   
 O2431    O    -1.72400   -0.93516   0.64542   
 O2432    O    -1.25704   -1.22729   0.35172   
 O2433    O    -1.23931   -0.94499   0.60121   
 O2434    O    -1.74167   -1.22763   0.35019   
 O2435    O    -1.48477   -1.19258   0.60470   
 O2436    O    -1.51544   -1.16661   0.62456   
 O2437    O    -1.51537   -1.01674   0.37541   
 O2438    O    -1.48466   -0.99069   0.39520   
 H2439    H    -1.81038   -0.25789   0.42663   
 H2440    H    -1.80093   -0.23273   0.40396   
 H2441    H    -1.80987   -0.22334   0.35978   
 O2442    O    -1.80001   -0.22205   0.38348   
 O2443    O    -1.79922   -0.25082   0.43253   
 C2444    C    -2.17702   -0.42705   0.49128   
 C2445    C    -2.18243   -0.41545   0.52662   
 C2446    C    -2.17389   -0.39904   0.52778   
 C2447    C    -2.16039   -0.39426   0.49402   
 C2448    C    -2.15489   -0.40579   0.45830   
 C2449    C    -2.16341   -0.42231   0.45781   
 C2450    C    -2.17676   -0.30470   0.29164   
 C2451    C    -2.18243   -0.29892   0.33614   
 C2452    C    -2.17320   -0.30577   0.37574   
 C2453    C    -2.15907   -0.31841   0.37105   
 C2454    C    -2.15357   -0.32457   0.32656   
 C2455    C    -2.16251   -0.31725   0.28699   
 C2456    C    -2.19780   -0.42030   0.56066   
 C2457    C    -2.19836   -0.28603   0.34032   
 C2458    C    -2.08226   -0.33118   0.17610   
 C2459    C    -2.06284   -0.33237   0.18978   
 C2460    C    -2.05849   -0.33771   0.23553   
 C2461    C    -2.07321   -0.34211   0.26648   
 C2462    C    -2.09272   -0.34138   0.25268   
 C2463    C    -2.09694   -0.33556   0.20713   
 C2464    C    -2.08177   -0.45213   0.37293   
 C2465    C    -2.06246   -0.44694   0.37747   
 C2466    C    -2.05834   -0.42947   0.38580   
 C2467    C    -2.07318   -0.41740   0.38840   
 C2468    C    -2.09260   -0.42244   0.38295   
 C2469    C    -2.09660   -0.44007   0.37583   
 C2470    C    -2.04673   -0.45998   0.37321   
 C2471    C    -2.04704   -0.32835   0.15618   
 C2472    C    -2.13880   -0.33670   0.32268   
 C2473    C    -2.13781   -0.35250   0.34967   
 C2474    C    -2.15307   -0.35803   0.37676   
 C2475    C    -2.12366   -0.33412   0.28978   
 C2476    C    -2.12231   -0.36424   0.34573   
 C2477    C    -2.10736   -0.41022   0.39144   
 C2478    C    -2.10750   -0.39374   0.36751   
 C2479    C    -2.09434   -0.38989   0.33287   
 C2480    C    -2.12370   -0.41377   0.41998   
 C2481    C    -2.12232   -0.38147   0.37389   
 C2482    C    -2.13884   -0.40184   0.42916   
 C2483    C    -2.13783   -0.38566   0.40387   
 C2484    C    -2.15308   -0.37424   0.40327   
 C2485    C    -2.10732   -0.34509   0.28496   
 C2486    C    -2.10748   -0.36059   0.31331   
 C2487    C    -2.09433   -0.37368   0.30637   
 H2488    H    -2.18375   -0.43969   0.49042   
 H2489    H    -2.17827   -0.39003   0.55495   
 H2490    H    -2.15406   -0.38142   0.49528   
 H2491    H    -2.15941   -0.43147   0.43068   
 H2492    H    -2.18383   -0.29928   0.26111   
 H2493    H    -2.17762   -0.30130   0.41022   
 H2494    H    -2.15229   -0.32371   0.40224   
 H2495    H    -2.15839   -0.32162   0.25218   
 H2496    H    -2.08551   -0.32690   0.14074   
 H2497    H    -2.04347   -0.33837   0.24620   
 H2498    H    -2.06958   -0.34632   0.30173   
 H2499    H    -2.11190   -0.33463   0.19583   
 H2500    H    -2.08484   -0.46570   0.36682   
 H2501    H    -2.04338   -0.42557   0.39015   
 H2502    H    -2.06970   -0.40392   0.39464   
 H2503    H    -2.11149   -0.44428   0.37198   
 H2504    H    -2.12389   -0.32250   0.26964   
 H2505    H    -2.08441   -0.39931   0.32150   
 H2506    H    -2.16621   -0.35119   0.37653   
 H2507    H    -2.12394   -0.42576   0.43845   
 H2508    H    -2.08440   -0.37299   0.27847   
 H2509    H    -2.16622   -0.37751   0.41956   
 O2510    O    -2.20703   -0.28206   0.30260   
 O2511    O    -2.20596   -0.43479   0.55435   
 O2512    O    -2.20189   -0.40955   0.59282   
 O2513    O    -2.20241   -0.28026   0.38073   
 O2514    O    -2.02977   -0.33007   0.17048   
 O2515    O    -2.05210   -0.32350   0.11555   
 O2516    O    -2.05195   -0.47557   0.36778   
 O2517    O    -2.02939   -0.45466   0.37535   
 C2518    C    -1.82315   -0.42689   0.49115   
 C2519    C    -1.81746   -0.41512   0.52586   
 C2520    C    -1.82661   -0.39898   0.52793   
 C2521    C    -1.84072   -0.39454   0.49541   
 C2522    C    -1.84624   -0.40615   0.45981   
 C2523    C    -1.83733   -0.42247   0.45882   
 C2524    C    -1.82328   -0.30463   0.29092   
 C2525    C    -1.81784   -0.29858   0.33532   
 C2526    C    -1.82651   -0.30585   0.37511   
 C2527    C    -1.84003   -0.31906   0.37060   
 C2528    C    -1.84547   -0.32532   0.32624   
 C2529    C    -1.83690   -0.31774   0.28649   
 C2530    C    -1.80162   -0.41985   0.55889   
 C2531    C    -1.80239   -0.28528   0.33971   
 C2532    C    -1.91810   -0.33011   0.17764   
 C2533    C    -1.93745   -0.33096   0.19205   
 C2534    C    -1.94159   -0.33648   0.23774   
 C2535    C    -1.92681   -0.34145   0.26788   
 C2536    C    -1.90736   -0.34098   0.25340   
 C2537    C    -1.90333   -0.33498   0.20793   
 C2538    C    -1.91795   -0.45238   0.37782   
 C2539    C    -1.93727   -0.44733   0.38337   
 C2540    C    -1.94149   -0.42977   0.38984   
 C2541    C    -1.92675   -0.41753   0.38996   
 C2542    C    -1.90731   -0.42245   0.38405   
 C2543    C    -1.90324   -0.44014   0.37833   
 C2544    C    -1.95308   -0.32638   0.15833   
 C2545    C    -1.95300   -0.46043   0.37988   
 C2546    C    -1.89263   -0.34509   0.28496   
 C2547    C    -1.89250   -0.36059   0.31328   
 C2548    C    -1.90563   -0.37368   0.30636   
 C2549    C    -1.87630   -0.33413   0.28977   
 C2550    C    -1.87768   -0.36423   0.34574   
 C2551    C    -1.86122   -0.40184   0.42916   
 C2552    C    -1.86219   -0.38566   0.40385   
 C2553    C    -1.84696   -0.37424   0.40325   
 C2554    C    -1.87633   -0.41377   0.41999   
 C2555    C    -1.87770   -0.38147   0.37389   
 C2556    C    -1.89267   -0.41022   0.39144   
 C2557    C    -1.89251   -0.39375   0.36748   
 C2558    C    -1.90564   -0.38990   0.33286   
 C2559    C    -1.86118   -0.33670   0.32268   
 C2560    C    -1.86217   -0.35251   0.34965   
 C2561    C    -1.84695   -0.35803   0.37675   
 H2562    H    -1.81610   -0.43941   0.48980   
 H2563    H    -1.82215   -0.38987   0.55484   
 H2564    H    -1.84745   -0.38188   0.49733   
 H2565    H    -1.84147   -0.43174   0.43204   
 H2566    H    -1.81650   -0.29900   0.26026   
 H2567    H    -1.82216   -0.30124   0.40947   
 H2568    H    -1.84640   -0.32464   0.40193   
 H2569    H    -1.84088   -0.32228   0.25179   
 H2570    H    -1.91495   -0.32575   0.14233   
 H2571    H    -1.95658   -0.33715   0.24879   
 H2572    H    -1.93037   -0.34589   0.30293   
 H2573    H    -1.88842   -0.33432   0.19600   
 H2574    H    -1.91478   -0.46597   0.37270   
 H2575    H    -1.95645   -0.42588   0.39374   
 H2576    H    -1.93034   -0.40398   0.39450   
 H2577    H    -1.88835   -0.44431   0.37389   
 H2578    H    -1.83382   -0.37751   0.41955   
 H2579    H    -1.87607   -0.32250   0.26964   
 H2580    H    -1.87612   -0.42577   0.43845   
 H2581    H    -1.91555   -0.37299   0.27848   
 H2582    H    -1.83381   -0.35119   0.37652   
 H2583    H    -1.91556   -0.39931   0.32151   
 O2584    O    -1.79413   -0.28061   0.30205   
 O2585    O    -1.79761   -0.40938   0.59167   
 O2586    O    -1.79300   -0.43404   0.55091   
 O2587    O    -1.79828   -0.27986   0.38052   
 O2588    O    -1.94794   -0.47573   0.36970   
 O2589    O    -1.97035   -0.32625   0.17321   
 O2590    O    -1.94786   -0.32327   0.11651   
 O2591    O    -1.97024   -0.45534   0.38633   
 H2592    H    -2.23536   -0.41280   0.54810   
 O2593    O    -2.23923   -0.41822   0.57700   
 H2594    H    -2.19016   -0.25935   0.41878   
 H2595    H    -2.19911   -0.24054   0.41691   
 H2596    H    -2.18963   -0.22136   0.36728   
 O2597    O    -2.20082   -0.22278   0.38692   
 O2598    O    -2.20001   -0.25221   0.43288   
 H2599    H    -2.29975   -0.47057   0.59446   
 H2600    H    -2.30067   -0.44314   0.58199   
 H2601    H    -2.29632   -0.43498   0.53231   
 O2602    O    -2.29927   -0.43185   0.56425   
 O2603    O    -2.29950   -0.46046   0.61402   
 H2604    H    -2.23650   -0.29319   0.35061   
 O2605    O    -2.24070   -0.28132   0.35067   
 H2606    H    -1.76357   -0.41313   0.54662   
 O2607    O    -1.75939   -0.41864   0.57513   
 H2608    H    -1.76471   -0.29288   0.35199   
 O2609    O    -1.76084   -0.28092   0.35249   
 Zr2610   Zr   -2.22633   -0.40837   0.64655   
 Zr2611   Zr   -2.27333   -0.27538   0.35203   
 Zr2612   Zr   -1.72674   -0.42092   0.59009   
 Zr2613   Zr   -1.77377   -0.26283   0.40848   
 Zr2614   Zr   -1.99955   -0.46852   0.37567   
 Zr2615   Zr   -1.96371   -0.49993   0.35006   
 O2616    O    -2.26084   -0.44388   0.59934   
 O2617    O    -1.77619   -0.43406   0.64351   
 C2618    C    -2.24139   -0.62738   0.71385   
 C2619    C    -2.25506   -0.61773   0.73898   
 C2620    C    -2.26834   -0.60757   0.71415   
 C2621    C    -2.26767   -0.60672   0.66550   
 C2622    C    -2.25373   -0.61608   0.64001   
 C2623    C    -2.24081   -0.62658   0.66519   
 C2624    C    -2.24132   -0.50517   0.51337   
 C2625    C    -2.25521   -0.50136   0.54765   
 C2626    C    -2.26807   -0.51437   0.56163   
 C2627    C    -2.26687   -0.53086   0.54241   
 C2628    C    -2.25287   -0.53485   0.50827   
 C2629    C    -2.24024   -0.52161   0.49396   
 C2630    C    -2.25487   -0.61819   0.79122   
 C2631    C    -2.25546   -0.48402   0.57024   
 C2632    C    -2.24004   -0.67761   0.48469   
 C2633    C    -2.25333   -0.68131   0.44899   
 C2634    C    -2.26682   -0.66866   0.43608   
 C2635    C    -2.26673   -0.65257   0.45774   
 C2636    C    -2.25314   -0.64858   0.49279   
 C2637    C    -2.24002   -0.66152   0.50630   
 C2638    C    -2.23997   -0.55709   0.28590   
 C2639    C    -2.25361   -0.56682   0.26094   
 C2640    C    -2.26696   -0.57691   0.28579   
 C2641    C    -2.26638   -0.57759   0.33445   
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 C2643    C    -2.23950   -0.55768   0.33458   
 C2644    C    -2.25363   -0.56633   0.20874   
 C2645    C    -2.25296   -0.69826   0.42444   
 C2646    C    -2.25386   -0.56749   0.40905   
 C2647    C    -2.25471   -0.58318   0.43657   
 C2648    C    -2.25262   -0.59922   0.41637   
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 C2650    C    -2.25542   -0.58306   0.48593   
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 H2671    H    -2.27726   -0.67166   0.40895   
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 O2687    O    -2.26860   -0.48100   0.60023   
 O2688    O    -2.26509   -0.70064   0.39169   
 O2689    O    -2.24043   -0.70908   0.43823   
 O2690    O    -2.24157   -0.55621   0.18958   
 O2691    O    -2.26561   -0.57594   0.18735   
 C2692    C    -1.76004   -0.67751   0.48268   
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 C2694    C    -1.73304   -0.66835   0.43518   
 C2695    C    -1.73361   -0.65214   0.45622   
 C2696    C    -1.74749   -0.64826   0.49073   
 C2697    C    -1.76052   -0.66135   0.50395   
 C2698    C    -1.75985   -0.55642   0.28673   
 C2699    C    -1.74661   -0.56641   0.26127   
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 H2751    H    -1.77009   -0.52408   0.46597   
 H2752    H    -1.74785   -0.54004   0.41561   
 H2753    H    -1.75065   -0.62664   0.42348   
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 H2755    H    -1.74790   -0.64331   0.58442   
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 O2763    O    -1.75807   -0.62781   0.81063   
 O2764    O    -1.73163   -0.61070   0.81251   
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 H2766    H    -1.79985   -0.74770   0.35749   
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 H2771    H    -1.69951   -0.45094   0.59497   
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 H2794    H    -2.02846   -0.70189   0.56352   
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 O2814    O    -2.01537   -0.51674   0.37541   
 O2815    O    -1.98466   -0.49069   0.39520   
 C2816    C    -1.82246   -0.87761   0.70953   
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 C2825    C    -1.83965   -0.78922   0.50699   
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 C2827    C    -1.83620   -0.76124   0.54345   
 C2828    C    -1.80047   -0.76412   0.44354   
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 H2870    H    -1.93075   -0.77934   0.60637   
 H2871    H    -1.88865   -0.73907   0.62694   
 H2872    H    -1.91519   -0.85769   0.85758   
 H2873    H    -1.95664   -0.84628   0.75067   
 H2874    H    -1.93030   -0.83763   0.69678   
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 H2877    H    -1.91569   -0.81036   0.72155   
 H2878    H    -1.83387   -0.80584   0.58047   
 H2879    H    -1.87620   -0.86085   0.73038   
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 O2885    O    -1.79510   -0.77550   0.41422   
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 O2887    O    -1.94809   -0.70752   0.63024   
 O2888    O    -1.97043   -0.72789   0.61366   
 O2889    O    -1.97057   -0.85701   0.82655   
 C2890    C    -2.17832   -0.87730   0.70848   
 C2891    C    -2.18399   -0.88308   0.66399   
 C2892    C    -2.17478   -0.87628   0.62436   
 C2893    C    -2.16051   -0.86372   0.62899   
 C2894    C    -2.15495   -0.85762   0.67349   
 C2895    C    -2.16397   -0.86484   0.71313   
 C2896    C    -2.17759   -0.75643   0.51156   
 C2897    C    -2.18375   -0.76831   0.47761   
 C2898    C    -2.17461   -0.78443   0.47474   
 C2899    C    -2.15994   -0.78874   0.50591   
 C2900    C    -2.15400   -0.77708   0.54096   
 C2901    C    -2.16291   -0.76077   0.54266   
 C2902    C    -2.19994   -0.76403   0.44540   
 C2903    C    -2.19966   -0.89619   0.65967   
 C2904    C    -2.08191   -0.73138   0.62736   
 C2905    C    -2.06259   -0.73651   0.62278   
 C2906    C    -2.05846   -0.75397   0.61446   
 C2907    C    -2.07329   -0.76608   0.61186   
 C2908    C    -2.09273   -0.76108   0.61726   
 C2909    C    -2.09673   -0.74346   0.62443   
 C2910    C    -2.08251   -0.85234   0.82385   
 C2911    C    -2.06311   -0.85106   0.81018   
 C2912    C    -2.05872   -0.84574   0.76446   
 C2913    C    -2.07343   -0.84140   0.73345   
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 C2915    C    -2.09719   -0.84802   0.79271   
 C2916    C    -2.04730   -0.85502   0.84384   
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 C2921    C    -2.12375   -0.76958   0.58005   
 C2922    C    -2.12240   -0.80189   0.62612   
 C2923    C    -2.13891   -0.84665   0.67734   
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 C2925    C    -2.15314   -0.82532   0.62328   
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 C2927    C    -2.12240   -0.81912   0.65430   
 C2928    C    -2.10746   -0.83826   0.71506   
 C2929    C    -2.10759   -0.82276   0.68674   
 C2930    C    -2.09446   -0.80967   0.69366   
 C2931    C    -2.13888   -0.78152   0.57086   
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 H2934    H    -2.18542   -0.88272   0.73902   
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 H2936    H    -2.15360   -0.85855   0.59785   
 H2937    H    -2.15981   -0.86049   0.74789   
 H2938    H    -2.18464   -0.74394   0.51325   
 H2939    H    -2.17924   -0.79347   0.44795   
 H2940    H    -2.15309   -0.80131   0.50340   
 H2941    H    -2.15841   -0.75145   0.56897   
 H2942    H    -2.08500   -0.71781   0.63345   
 H2943    H    -2.04350   -0.75788   0.61010   
 H2944    H    -2.06981   -0.77956   0.60561   
 H2945    H    -2.11161   -0.73923   0.62826   
 H2946    H    -2.08576   -0.85661   0.85917   
 H2947    H    -2.04369   -0.84502   0.75386   
 H2948    H    -2.06979   -0.83721   0.69823   
 H2949    H    -2.11215   -0.84898   0.80400   
 H2950    H    -2.12397   -0.75759   0.56157   
 H2951    H    -2.16628   -0.83216   0.62350   
 H2952    H    -2.08453   -0.78404   0.67852   
 H2953    H    -2.12402   -0.86085   0.73039   
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 H2955    H    -2.08454   -0.81036   0.72154   
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 O2958    O    -2.20742   -0.74916   0.44983   
 O2959    O    -2.20511   -0.77548   0.41607   
 O2960    O    -2.02952   -0.72871   0.62469   
 O2961    O    -2.05210   -0.70783   0.63227   
 O2962    O    -2.05238   -0.85987   0.88445   
 O2963    O    -2.03003   -0.85326   0.82958   
 H2964    H    -1.75452   -0.79601   0.41881   
 H2965    H    -1.73482   -0.78885   0.47368   
 H2966    H    -1.77711   -0.79709   0.42669   
 O2967    O    -1.73403   -0.78949   0.44005   
 O2968    O    -1.76735   -0.79824   0.40269   
 H2969    H    -1.72852   -0.72963   0.44473   
 O2970    O    -1.73403   -0.73569   0.41850   
 H2971    H    -1.73640   -0.87557   0.62159   
 H2972    H    -1.77602   -0.88598   0.56503   
 H2973    H    -1.74580   -0.88720   0.58212   
 O2974    O    -1.73337   -0.88466   0.59958   
 O2975    O    -1.76581   -0.89413   0.55908   
 H2976    H    -2.25428   -0.79367   0.42933   
 H2977    H    -2.22406   -0.79982   0.42432   
 H2978    H    -2.26371   -0.78622   0.47557   
 O2979    O    -2.23427   -0.79795   0.40201   
 O2980    O    -2.26673   -0.78916   0.44351   
 H2981    H    -2.20015   -0.74864   0.35923   
 O2982    O    -2.21395   -0.74956   0.35614   
 H2983    H    -2.22300   -0.88644   0.57273   
 H2984    H    -2.26531   -0.87500   0.61442   
 H2985    H    -2.24558   -0.88953   0.57163   
 O2986    O    -2.23277   -0.89373   0.55880   
 O2987    O    -2.26610   -0.88566   0.59719   
 Zr2988   Zr   -1.76809   -0.73555   0.41514   
 Zr2989   Zr   -1.72886   -0.76496   0.41047   
 Zr2990   Zr   -1.77161   -0.91813   0.59098   
 Zr2991   Zr   -2.23193   -0.73554   0.41518   
 Zr2992   Zr   -2.22847   -0.77634   0.35929   
 Zr2993   Zr   -2.27125   -0.90675   0.64218   
 Zr2994   Zr   -1.99968   -0.71477   0.62426   
 O2995    O    -1.75832   -0.76044   0.40381   
 O2996    O    -2.24296   -0.76010   0.40535   
 H2997    H    -2.31038   0.24211    0.42663   
 H2998    H    -2.30093   0.26727    0.40396   
 H2999    H    -2.30987   0.27666    0.35978   
 O3000    O    -2.30001   0.27795    0.38348   
 O3001    O    -2.29922   0.24918    0.43253   
 C3002    C    -2.67702   0.07295    0.49128   
 C3003    C    -2.68243   0.08455    0.52662   
 C3004    C    -2.67389   0.10096    0.52778   
 C3005    C    -2.66039   0.10574    0.49402   
 C3006    C    -2.65489   0.09421    0.45830   
 C3007    C    -2.66341   0.07769    0.45781   
 C3008    C    -2.67676   0.19530    0.29164   
 C3009    C    -2.68243   0.20108    0.33614   
 C3010    C    -2.67320   0.19423    0.37574   
 C3011    C    -2.65907   0.18159    0.37105   
 C3012    C    -2.65357   0.17543    0.32656   
 C3013    C    -2.66251   0.18275    0.28699   
 C3014    C    -2.69780   0.07970    0.56066   
 C3015    C    -2.69836   0.21397    0.34032   
 C3016    C    -2.58226   0.16882    0.17610   
 C3017    C    -2.56284   0.16763    0.18978   
 C3018    C    -2.55849   0.16229    0.23553   
 C3019    C    -2.57321   0.15789    0.26648   
 C3020    C    -2.59272   0.15862    0.25268   
 C3021    C    -2.59694   0.16444    0.20713   
 C3022    C    -2.58177   0.04787    0.37293   
 C3023    C    -2.56246   0.05306    0.37747   
 C3024    C    -2.55834   0.07053    0.38580   
 C3025    C    -2.57318   0.08260    0.38840   
 C3026    C    -2.59260   0.07756    0.38295   
 C3027    C    -2.59660   0.05993    0.37583   
 C3028    C    -2.54673   0.04002    0.37321   
 C3029    C    -2.54704   0.17165    0.15618   
 C3030    C    -2.63880   0.16330    0.32268   
 C3031    C    -2.63781   0.14750    0.34967   
 C3032    C    -2.65307   0.14197    0.37676   
 C3033    C    -2.62366   0.16588    0.28978   
 C3034    C    -2.62231   0.13576    0.34573   
 C3035    C    -2.60736   0.08978    0.39144   
 C3036    C    -2.60750   0.10626    0.36751   
 C3037    C    -2.59434   0.11011    0.33287   
 C3038    C    -2.62370   0.08623    0.41998   
 C3039    C    -2.62232   0.11853    0.37389   
 C3040    C    -2.63884   0.09816    0.42916   
 C3041    C    -2.63783   0.11434    0.40387   
 C3042    C    -2.65308   0.12576    0.40327   
 C3043    C    -2.60732   0.15491    0.28496   
 C3044    C    -2.60748   0.13941    0.31331   
 C3045    C    -2.59433   0.12632    0.30637   
 H3046    H    -2.68375   0.06031    0.49042   
 H3047    H    -2.67827   0.10997    0.55495   
 H3048    H    -2.65406   0.11858    0.49528   
 H3049    H    -2.65941   0.06853    0.43068   
 H3050    H    -2.68383   0.20072    0.26111   
 H3051    H    -2.67762   0.19870    0.41022   
 H3052    H    -2.65229   0.17629    0.40224   
 H3053    H    -2.65839   0.17838    0.25218   
 H3054    H    -2.58551   0.17310    0.14074   
 H3055    H    -2.54347   0.16163    0.24620   
 H3056    H    -2.56958   0.15368    0.30173   
 H3057    H    -2.61190   0.16537    0.19583   
 H3058    H    -2.58484   0.03430    0.36682   
 H3059    H    -2.54338   0.07443    0.39015   
 H3060    H    -2.56970   0.09608    0.39464   
 H3061    H    -2.61149   0.05572    0.37198   
 H3062    H    -2.62389   0.17750    0.26964   
 H3063    H    -2.58441   0.10069    0.32150   
 H3064    H    -2.66621   0.14881    0.37653   
 H3065    H    -2.62394   0.07424    0.43845   
 H3066    H    -2.58440   0.12701    0.27847   
 H3067    H    -2.66622   0.12249    0.41956   
 O3068    O    -2.70703   0.21794    0.30260   
 O3069    O    -2.70596   0.06521    0.55435   
 O3070    O    -2.70189   0.09045    0.59282   
 O3071    O    -2.70241   0.21974    0.38073   
 O3072    O    -2.52977   0.16993    0.17048   
 O3073    O    -2.55210   0.17650    0.11555   
 O3074    O    -2.55195   0.02443    0.36778   
 O3075    O    -2.52939   0.04534    0.37535   
 C3076    C    -2.32315   0.07311    0.49115   
 C3077    C    -2.31746   0.08488    0.52586   
 C3078    C    -2.32661   0.10102    0.52793   
 C3079    C    -2.34072   0.10546    0.49541   
 C3080    C    -2.34624   0.09385    0.45981   
 C3081    C    -2.33733   0.07753    0.45882   
 C3082    C    -2.32328   0.19537    0.29092   
 C3083    C    -2.31784   0.20142    0.33532   
 C3084    C    -2.32651   0.19415    0.37511   
 C3085    C    -2.34003   0.18094    0.37060   
 C3086    C    -2.34547   0.17468    0.32624   
 C3087    C    -2.33690   0.18226    0.28649   
 C3088    C    -2.30162   0.08015    0.55889   
 C3089    C    -2.30239   0.21472    0.33971   
 C3090    C    -2.41810   0.16989    0.17764   
 C3091    C    -2.43745   0.16904    0.19205   
 C3092    C    -2.44159   0.16352    0.23774   
 C3093    C    -2.42681   0.15855    0.26788   
 C3094    C    -2.40736   0.15902    0.25340   
 C3095    C    -2.40333   0.16502    0.20793   
 C3096    C    -2.41795   0.04762    0.37782   
 C3097    C    -2.43727   0.05267    0.38337   
 C3098    C    -2.44149   0.07023    0.38984   
 C3099    C    -2.42675   0.08247    0.38996   
 C3100    C    -2.40731   0.07755    0.38405   
 C3101    C    -2.40324   0.05986    0.37833   
 C3102    C    -2.45308   0.17362    0.15833   
 C3103    C    -2.45300   0.03957    0.37988   
 C3104    C    -2.39263   0.15491    0.28496   
 C3105    C    -2.39250   0.13941    0.31328   
 C3106    C    -2.40563   0.12632    0.30636   
 C3107    C    -2.37630   0.16587    0.28977   
 C3108    C    -2.37768   0.13577    0.34574   
 C3109    C    -2.36122   0.09816    0.42916   
 C3110    C    -2.36219   0.11434    0.40385   
 C3111    C    -2.34696   0.12576    0.40325   
 C3112    C    -2.37633   0.08623    0.41999   
 C3113    C    -2.37770   0.11853    0.37389   
 C3114    C    -2.39267   0.08978    0.39144   
 C3115    C    -2.39251   0.10625    0.36748   
 C3116    C    -2.40564   0.11010    0.33286   
 C3117    C    -2.36118   0.16330    0.32268   
 C3118    C    -2.36217   0.14749    0.34965   
 C3119    C    -2.34695   0.14197    0.37675   
 H3120    H    -2.31610   0.06059    0.48980   
 H3121    H    -2.32215   0.11013    0.55484   
 H3122    H    -2.34745   0.11812    0.49733   
 H3123    H    -2.34147   0.06826    0.43204   
 H3124    H    -2.31650   0.20100    0.26026   
 H3125    H    -2.32216   0.19876    0.40947   
 H3126    H    -2.34640   0.17536    0.40193   
 H3127    H    -2.34088   0.17772    0.25179   
 H3128    H    -2.41495   0.17425    0.14233   
 H3129    H    -2.45658   0.16285    0.24879   
 H3130    H    -2.43037   0.15411    0.30293   
 H3131    H    -2.38842   0.16568    0.19600   
 H3132    H    -2.41478   0.03403    0.37270   
 H3133    H    -2.45645   0.07412    0.39374   
 H3134    H    -2.43034   0.09602    0.39450   
 H3135    H    -2.38835   0.05569    0.37389   
 H3136    H    -2.33382   0.12249    0.41955   
 H3137    H    -2.37607   0.17750    0.26964   
 H3138    H    -2.37612   0.07423    0.43845   
 H3139    H    -2.41555   0.12701    0.27848   
 H3140    H    -2.33381   0.14881    0.37652   
 H3141    H    -2.41556   0.10069    0.32151   
 O3142    O    -2.29413   0.21939    0.30205   
 O3143    O    -2.29761   0.09062    0.59167   
 O3144    O    -2.29300   0.06596    0.55091   
 O3145    O    -2.29828   0.22014    0.38052   
 O3146    O    -2.44794   0.02427    0.36970   
 O3147    O    -2.47035   0.17375    0.17321   
 O3148    O    -2.44786   0.17673    0.11651   
 O3149    O    -2.47024   0.04466    0.38633   
 H3150    H    -2.73536   0.08720    0.54810   
 O3151    O    -2.73923   0.08178    0.57700   
 H3152    H    -2.69016   0.24065    0.41878   
 H3153    H    -2.69911   0.25946    0.41691   
 H3154    H    -2.68963   0.27864    0.36728   
 O3155    O    -2.70082   0.27722    0.38692   
 O3156    O    -2.70001   0.24779    0.43288   
 H3157    H    -2.79975   0.02943    0.59446   
 H3158    H    -2.80067   0.05686    0.58199   
 H3159    H    -2.79632   0.06502    0.53231   
 O3160    O    -2.79927   0.06815    0.56425   
 O3161    O    -2.79950   0.03954    0.61402   
 H3162    H    -2.73650   0.20681    0.35061   
 O3163    O    -2.74070   0.21868    0.35067   
 H3164    H    -2.26357   0.08687    0.54662   
 O3165    O    -2.25939   0.08136    0.57513   
 H3166    H    -2.26471   0.20712    0.35199   
 O3167    O    -2.26084   0.21908    0.35249   
 Zr3168   Zr   -2.72633   0.09163    0.64655   
 Zr3169   Zr   -2.77333   0.22462    0.35203   
 Zr3170   Zr   -2.22674   0.07908    0.59009   
 Zr3171   Zr   -2.27377   0.23717    0.40848   
 Zr3172   Zr   -2.49955   0.03148    0.37567   
 Zr3173   Zr   -2.46371   0.00007    0.35006   
 O3174    O    -2.76084   0.05612    0.59934   
 O3175    O    -2.27619   0.06594    0.64351   
 C3176    C    -2.74139   -0.12738   0.71385   
 C3177    C    -2.75506   -0.11773   0.73898   
 C3178    C    -2.76834   -0.10757   0.71415   
 C3179    C    -2.76767   -0.10672   0.66550   
 C3180    C    -2.75373   -0.11608   0.64001   
 C3181    C    -2.74081   -0.12658   0.66519   
 C3182    C    -2.74132   -0.00517   0.51337   
 C3183    C    -2.75521   -0.00136   0.54765   
 C3184    C    -2.76807   -0.01437   0.56163   
 C3185    C    -2.76687   -0.03086   0.54241   
 C3186    C    -2.75287   -0.03485   0.50827   
 C3187    C    -2.74024   -0.02161   0.49396   
 C3188    C    -2.75487   -0.11819   0.79122   
 C3189    C    -2.75546   0.01598    0.57024   
 C3190    C    -2.74004   -0.17761   0.48469   
 C3191    C    -2.75333   -0.18131   0.44899   
 C3192    C    -2.76682   -0.16866   0.43608   
 C3193    C    -2.76673   -0.15257   0.45774   
 C3194    C    -2.75314   -0.14858   0.49279   
 C3195    C    -2.74002   -0.16152   0.50630   
 C3196    C    -2.73997   -0.05709   0.28590   
 C3197    C    -2.75361   -0.06682   0.26094   
 C3198    C    -2.76696   -0.07691   0.28579   
 C3199    C    -2.76638   -0.07759   0.33445   
 C3200    C    -2.75248   -0.06812   0.35978   
 C3201    C    -2.73950   -0.05768   0.33458   
 C3202    C    -2.75363   -0.06633   0.20874   
 C3203    C    -2.75296   -0.19826   0.42444   
 C3204    C    -2.75386   -0.06749   0.40905   
 C3205    C    -2.75471   -0.08318   0.43657   
 C3206    C    -2.75262   -0.09922   0.41637   
 C3207    C    -2.75267   -0.05186   0.43490   
 C3208    C    -2.75542   -0.08306   0.48593   
 C3209    C    -2.75392   -0.11586   0.59098   
 C3210    C    -2.75476   -0.10017   0.56348   
 C3211    C    -2.75267   -0.08413   0.58366   
 C3212    C    -2.75269   -0.13150   0.56512   
 C3213    C    -2.75543   -0.10029   0.51409   
 C3214    C    -2.75389   -0.13263   0.51553   
 C3215    C    -2.75473   -0.11633   0.49077   
 C3216    C    -2.75263   -0.11543   0.44287   
 C3217    C    -2.75389   -0.05072   0.48449   
 C3218    C    -2.75474   -0.06701   0.50928   
 C3219    C    -2.75267   -0.06792   0.55716   
 H3220    H    -2.73120   -0.13529   0.73316   
 H3221    H    -2.77889   -0.10010   0.73372   
 H3222    H    -2.77793   -0.09859   0.64704   
 H3223    H    -2.73005   -0.13409   0.64635   
 H3224    H    -2.73136   0.00493    0.50279   
 H3225    H    -2.77872   -0.01144   0.58843   
 H3226    H    -2.77683   -0.04080   0.55412   
 H3227    H    -2.72934   -0.02431   0.46752   
 H3228    H    -2.72973   -0.18752   0.49472   
 H3229    H    -2.77726   -0.17166   0.40895   
 H3230    H    -2.77723   -0.14288   0.44714   
 H3231    H    -2.72953   -0.15885   0.53377   
 H3232    H    -2.72978   -0.04921   0.26643   
 H3233    H    -2.77772   -0.08417   0.26632   
 H3234    H    -2.77677   -0.08554   0.35307   
 H3235    H    -2.72877   -0.05014   0.35338   
 H3236    H    -2.74946   -0.08303   0.61957   
 H3237    H    -2.75220   -0.04004   0.41560   
 H3238    H    -2.75225   -0.14331   0.58442   
 H3239    H    -2.74938   -0.10032   0.38045   
 H3240    H    -2.74945   -0.05671   0.57655   
 H3241    H    -2.74939   -0.12664   0.42347   
 O3242    O    -2.74216   0.02640    0.55843   
 O3243    O    -2.76813   -0.11020   0.81288   
 O3244    O    -2.74102   -0.12639   0.81018   
 O3245    O    -2.76860   0.01900    0.60023   
 O3246    O    -2.76509   -0.20064   0.39169   
 O3247    O    -2.74043   -0.20908   0.43823   
 O3248    O    -2.74157   -0.05621   0.18958   
 O3249    O    -2.76561   -0.07594   0.18735   
 C3250    C    -2.26004   -0.17751   0.48268   
 C3251    C    -2.24639   -0.18115   0.44779   
 C3252    C    -2.23304   -0.16835   0.43518   
 C3253    C    -2.23361   -0.15214   0.45622   
 C3254    C    -2.24749   -0.14826   0.49073   
 C3255    C    -2.26052   -0.16135   0.50395   
 C3256    C    -2.25985   -0.05642   0.28673   
 C3257    C    -2.24661   -0.06641   0.26127   
 C3258    C    -2.23311   -0.07649   0.28558   
 C3259    C    -2.23316   -0.07690   0.33428   
 C3260    C    -2.24672   -0.06728   0.36016   
 C3261    C    -2.25986   -0.05685   0.33543   
 C3262    C    -2.24701   -0.06656   0.20916   
 C3263    C    -2.24634   -0.19843   0.42473   
 C3264    C    -2.25901   -0.12752   0.71400   
 C3265    C    -2.24512   -0.11819   0.73915   
 C3266    C    -2.23228   -0.10748   0.71472   
 C3267    C    -2.23347   -0.10598   0.66618   
 C3268    C    -2.24741   -0.11526   0.64057   
 C3269    C    -2.26008   -0.12613   0.66548   
 C3270    C    -2.25873   -0.00529   0.51386   
 C3271    C    -2.24508   -0.00164   0.54878   
 C3272    C    -2.23178   -0.01449   0.56138   
 C3273    C    -2.23248   -0.03072   0.54052   
 C3274    C    -2.24640   -0.03464   0.50615   
 C3275    C    -2.25933   -0.02149   0.49279   
 C3276    C    -2.24480   -0.11903   0.79125   
 C3277    C    -2.24531   0.01556    0.57235   
 C3278    C    -2.24620   -0.05072   0.48449   
 C3279    C    -2.24536   -0.06702   0.50926   
 C3280    C    -2.24746   -0.06792   0.55715   
 C3281    C    -2.24739   -0.05185   0.43492   
 C3282    C    -2.24466   -0.08306   0.48593   
 C3283    C    -2.24620   -0.13263   0.51553   
 C3284    C    -2.24535   -0.11634   0.49074   
 C3285    C    -2.24743   -0.11544   0.44286   
 C3286    C    -2.24744   -0.13150   0.56510   
 C3287    C    -2.24467   -0.10029   0.51410   
 C3288    C    -2.24623   -0.11586   0.59097   
 C3289    C    -2.24538   -0.10017   0.56346   
 C3290    C    -2.24747   -0.08413   0.58366   
 C3291    C    -2.24617   -0.06750   0.40905   
 C3292    C    -2.24534   -0.08319   0.43654   
 C3293    C    -2.24742   -0.09922   0.41636   
 H3294    H    -2.27023   -0.18754   0.49252   
 H3295    H    -2.22227   -0.17130   0.40870   
 H3296    H    -2.22321   -0.14235   0.44584   
 H3297    H    -2.27124   -0.15876   0.53082   
 H3298    H    -2.27015   -0.04855   0.26761   
 H3299    H    -2.22271   -0.08399   0.26571   
 H3300    H    -2.22266   -0.08485   0.35256   
 H3301    H    -2.27031   -0.04912   0.35458   
 H3302    H    -2.26897   -0.13573   0.73312   
 H3303    H    -2.22164   -0.10013   0.73437   
 H3304    H    -2.22349   -0.09749   0.64789   
 H3305    H    -2.27096   -0.13346   0.64660   
 H3306    H    -2.26890   0.00473    0.50399   
 H3307    H    -2.22120   -0.01167   0.58846   
 H3308    H    -2.22220   -0.04057   0.55129   
 H3309    H    -2.27009   -0.02408   0.46597   
 H3310    H    -2.24785   -0.04004   0.41561   
 H3311    H    -2.25065   -0.12664   0.42348   
 H3312    H    -2.25070   -0.05671   0.57655   
 H3313    H    -2.24790   -0.14331   0.58442   
 H3314    H    -2.25063   -0.10032   0.38045   
 H3315    H    -2.25071   -0.08303   0.61958   
 O3316    O    -2.23432   -0.20097   0.39182   
 O3317    O    -2.25840   -0.20943   0.44009   
 O3318    O    -2.25952   -0.05702   0.18961   
 O3319    O    -2.23489   -0.07615   0.18820   
 O3320    O    -2.25919   0.02555    0.56169   
 O3321    O    -2.25807   -0.12781   0.81063   
 O3322    O    -2.23163   -0.11070   0.81251   
 O3323    O    -2.23210   0.01889    0.60178   
 H3324    H    -2.29985   -0.24770   0.35749   
 O3325    O    -2.28604   -0.24830   0.35391   
 H3326    H    -2.77152   -0.22867   0.44307   
 O3327    O    -2.76600   -0.23443   0.41632   
 H3328    H    -2.20387   0.02902    0.59131   
 H3329    H    -2.19951   0.04906    0.59497   
 H3330    H    -2.20036   0.06594    0.53500   
 O3331    O    -2.20065   0.06758    0.56843   
 O3332    O    -2.20091   0.03799    0.61371   
 H3333    H    -2.52834   0.01854    0.43649   
 O3334    O    -2.52004   0.01324    0.41354   
 H3335    H    -2.47180   -0.03199   0.40049   
 O3336    O    -2.47986   -0.02339   0.38587   
 H3337    H    -2.48645   -0.19358   0.49320   
 H3338    H    -2.49976   -0.20646   0.52176   
 H3339    H    -2.48944   -0.23092   0.54766   
 O3340    O    -2.50034   -0.22361   0.55448   
 O3341    O    -2.49926   -0.19467   0.50627   
 H3342    H    -2.48928   0.04759    0.45223   
 H3343    H    -2.49966   0.02317    0.47822   
 H3344    H    -2.48638   0.01031    0.50677   
 O3345    O    -2.49920   0.01139    0.49372   
 O3346    O    -2.50020   0.04032    0.44542   
 H3347    H    -2.50032   -0.13607   0.58692   
 H3348    H    -2.51082   -0.14569   0.52100   
 H3349    H    -2.51349   -0.12546   0.62188   
 O3350    O    -2.49983   -0.14819   0.54051   
 O3351    O    -2.50071   -0.13033   0.61884   
 H3352    H    -2.52846   -0.20189   0.56352   
 O3353    O    -2.52016   -0.19658   0.58640   
 H3354    H    -2.47186   -0.15128   0.59942   
 O3355    O    -2.47993   -0.15988   0.61404   
 H3356    H    -2.51342   -0.05785   0.37809   
 H3357    H    -2.51074   -0.03760   0.47895   
 H3358    H    -2.50024   -0.04723   0.41305   
 O3359    O    -2.50063   -0.05298   0.38116   
 O3360    O    -2.49974   -0.03510   0.45946   
 Zr3361   Zr   -2.73193   0.05207    0.58473   
 Zr3362   Zr   -2.26824   0.05206    0.58469   
 Zr3363   Zr   -2.53616   -0.00000   0.35013   
 Zr3364   Zr   -2.50046   -0.17392   0.56467   
 Zr3365   Zr   -2.50039   -0.00939   0.43528   
 O3366    O    -2.72400   0.06484    0.64542   
 O3367    O    -2.25704   -0.22729   0.35172   
 O3368    O    -2.23931   0.05501    0.60121   
 O3369    O    -2.74167   -0.22763   0.35019   
 O3370    O    -2.48477   -0.19258   0.60470   
 O3371    O    -2.51544   -0.16661   0.62456   
 O3372    O    -2.51537   -0.01674   0.37541   
 O3373    O    -2.48466   0.00931    0.39520   
 C3374    C    -2.32246   -0.37761   0.70953   
 C3375    C    -2.31632   -0.38322   0.66524   
 C3376    C    -2.32545   -0.37661   0.62522   
 C3377    C    -2.34008   -0.36439   0.62943   
 C3378    C    -2.34599   -0.35835   0.67368   
 C3379    C    -2.33709   -0.36542   0.71363   
 C3380    C    -2.32184   -0.25695   0.51140   
 C3381    C    -2.31617   -0.26880   0.47691   
 C3382    C    -2.32539   -0.28491   0.47468   
 C3383    C    -2.33965   -0.28922   0.50699   
 C3384    C    -2.34518   -0.27754   0.54230   
 C3385    C    -2.33620   -0.26124   0.54345   
 C3386    C    -2.30047   -0.26412   0.44354   
 C3387    C    -2.30016   -0.39575   0.66056   
 C3388    C    -2.41819   -0.23094   0.62282   
 C3389    C    -2.43751   -0.23595   0.61713   
 C3390    C    -2.44181   -0.25349   0.61084   
 C3391    C    -2.42712   -0.26578   0.61087   
 C3392    C    -2.40768   -0.26089   0.61672   
 C3393    C    -2.40352   -0.24321   0.62242   
 C3394    C    -2.41827   -0.35334   0.82223   
 C3395    C    -2.43760   -0.35245   0.80772   
 C3396    C    -2.44166   -0.34698   0.76191   
 C3397    C    -2.42682   -0.34206   0.73191   
 C3398    C    -2.40740   -0.34253   0.74651   
 C3399    C    -2.40342   -0.34853   0.79205   
 C3400    C    -2.45318   -0.22283   0.62023   
 C3401    C    -2.45331   -0.35691   0.84141   
 C3402    C    -2.36126   -0.28152   0.57086   
 C3403    C    -2.36226   -0.29770   0.59615   
 C3404    C    -2.34701   -0.30911   0.59676   
 C3405    C    -2.37639   -0.26958   0.58004   
 C3406    C    -2.37777   -0.30189   0.62613   
 C3407    C    -2.39277   -0.33826   0.71506   
 C3408    C    -2.39261   -0.32276   0.68671   
 C3409    C    -2.40576   -0.30967   0.69365   
 C3410    C    -2.37643   -0.34923   0.71024   
 C3411    C    -2.37778   -0.31912   0.65430   
 C3412    C    -2.36129   -0.34665   0.67734   
 C3413    C    -2.36228   -0.33085   0.65035   
 C3414    C    -2.34702   -0.32532   0.62326   
 C3415    C    -2.39274   -0.27313   0.60858   
 C3416    C    -2.39260   -0.28961   0.63251   
 C3417    C    -2.40575   -0.29346   0.66715   
 H3418    H    -2.31542   -0.38290   0.74036   
 H3419    H    -2.32087   -0.38117   0.59107   
 H3420    H    -2.34694   -0.35933   0.59803   
 H3421    H    -2.34158   -0.36117   0.74823   
 H3422    H    -2.31473   -0.24446   0.51265   
 H3423    H    -2.32120   -0.29391   0.44739   
 H3424    H    -2.34657   -0.30179   0.50485   
 H3425    H    -2.34036   -0.25195   0.57009   
 H3426    H    -2.41498   -0.21735   0.62791   
 H3427    H    -2.45680   -0.25734   0.60691   
 H3428    H    -2.43075   -0.27934   0.60637   
 H3429    H    -2.38865   -0.23907   0.62694   
 H3430    H    -2.41519   -0.35769   0.85758   
 H3431    H    -2.45664   -0.34628   0.75067   
 H3432    H    -2.43030   -0.33763   0.69678   
 H3433    H    -2.38856   -0.34923   0.80410   
 H3434    H    -2.37615   -0.25759   0.56157   
 H3435    H    -2.41569   -0.31036   0.72155   
 H3436    H    -2.33387   -0.30584   0.58047   
 H3437    H    -2.37620   -0.36085   0.73038   
 H3438    H    -2.41568   -0.28404   0.67852   
 H3439    H    -2.33388   -0.33216   0.62349   
 O3440    O    -2.29502   -0.40000   0.61941   
 O3441    O    -2.29271   -0.40125   0.69831   
 O3442    O    -2.29361   -0.24897   0.44700   
 O3443    O    -2.29510   -0.27550   0.41422   
 O3444    O    -2.44811   -0.35997   0.88328   
 O3445    O    -2.44809   -0.20752   0.63024   
 O3446    O    -2.47043   -0.22789   0.61366   
 O3447    O    -2.47057   -0.35701   0.82655   
 C3448    C    -2.67832   -0.37730   0.70848   
 C3449    C    -2.68399   -0.38308   0.66399   
 C3450    C    -2.67478   -0.37628   0.62436   
 C3451    C    -2.66051   -0.36372   0.62899   
 C3452    C    -2.65495   -0.35762   0.67349   
 C3453    C    -2.66397   -0.36484   0.71313   
 C3454    C    -2.67759   -0.25643   0.51156   
 C3455    C    -2.68375   -0.26831   0.47761   
 C3456    C    -2.67461   -0.28443   0.47474   
 C3457    C    -2.65994   -0.28874   0.50591   
 C3458    C    -2.65400   -0.27708   0.54096   
 C3459    C    -2.66291   -0.26077   0.54266   
 C3460    C    -2.69994   -0.26403   0.44540   
 C3461    C    -2.69966   -0.39619   0.65967   
 C3462    C    -2.58191   -0.23138   0.62736   
 C3463    C    -2.56259   -0.23651   0.62278   
 C3464    C    -2.55846   -0.25397   0.61446   
 C3465    C    -2.57329   -0.26608   0.61186   
 C3466    C    -2.59273   -0.26108   0.61726   
 C3467    C    -2.59673   -0.24346   0.62443   
 C3468    C    -2.58251   -0.35234   0.82385   
 C3469    C    -2.56311   -0.35106   0.81018   
 C3470    C    -2.55872   -0.34574   0.76446   
 C3471    C    -2.57343   -0.34140   0.73345   
 C3472    C    -2.59295   -0.34221   0.74717   
 C3473    C    -2.59719   -0.34802   0.79271   
 C3474    C    -2.54730   -0.35502   0.84384   
 C3475    C    -2.54686   -0.22344   0.62693   
 C3476    C    -2.60743   -0.27313   0.60858   
 C3477    C    -2.60758   -0.28960   0.63254   
 C3478    C    -2.59445   -0.29346   0.66716   
 C3479    C    -2.62375   -0.26958   0.58005   
 C3480    C    -2.62240   -0.30189   0.62612   
 C3481    C    -2.63891   -0.34665   0.67734   
 C3482    C    -2.63792   -0.33085   0.65037   
 C3483    C    -2.65314   -0.32532   0.62328   
 C3484    C    -2.62380   -0.34923   0.71023   
 C3485    C    -2.62240   -0.31912   0.65430   
 C3486    C    -2.60746   -0.33826   0.71506   
 C3487    C    -2.60759   -0.32276   0.68674   
 C3488    C    -2.59446   -0.30967   0.69366   
 C3489    C    -2.63888   -0.28152   0.57086   
 C3490    C    -2.63790   -0.29769   0.59617   
 C3491    C    -2.65313   -0.30911   0.59678   
 H3492    H    -2.68542   -0.38272   0.73902   
 H3493    H    -2.67897   -0.38099   0.58998   
 H3494    H    -2.65360   -0.35855   0.59785   
 H3495    H    -2.65981   -0.36049   0.74789   
 H3496    H    -2.68464   -0.24394   0.51325   
 H3497    H    -2.67924   -0.29347   0.44795   
 H3498    H    -2.65309   -0.30131   0.50340   
 H3499    H    -2.65841   -0.25145   0.56897   
 H3500    H    -2.58500   -0.21781   0.63345   
 H3501    H    -2.54350   -0.25788   0.61010   
 H3502    H    -2.56981   -0.27956   0.60561   
 H3503    H    -2.61161   -0.23923   0.62826   
 H3504    H    -2.58576   -0.35661   0.85917   
 H3505    H    -2.54369   -0.34502   0.75386   
 H3506    H    -2.56979   -0.33721   0.69823   
 H3507    H    -2.61215   -0.34898   0.80400   
 H3508    H    -2.62397   -0.25759   0.56157   
 H3509    H    -2.66628   -0.33216   0.62350   
 H3510    H    -2.58453   -0.28404   0.67852   
 H3511    H    -2.62402   -0.36085   0.73039   
 H3512    H    -2.66627   -0.30584   0.58048   
 H3513    H    -2.58454   -0.31036   0.72154   
 O3514    O    -2.70498   -0.40051   0.61874   
 O3515    O    -2.70649   -0.40216   0.69764   
 O3516    O    -2.70742   -0.24916   0.44983   
 O3517    O    -2.70511   -0.27548   0.41607   
 O3518    O    -2.52952   -0.22871   0.62469   
 O3519    O    -2.55210   -0.20783   0.63227   
 O3520    O    -2.55238   -0.35987   0.88445   
 O3521    O    -2.53003   -0.35326   0.82958   
 H3522    H    -2.25452   -0.29601   0.41881   
 H3523    H    -2.23482   -0.28885   0.47368   
 H3524    H    -2.27711   -0.29709   0.42669   
 O3525    O    -2.23403   -0.28949   0.44005   
 O3526    O    -2.26735   -0.29824   0.40269   
 H3527    H    -2.22852   -0.22963   0.44473   
 O3528    O    -2.23403   -0.23569   0.41850   
 H3529    H    -2.23640   -0.37557   0.62159   
 H3530    H    -2.27602   -0.38598   0.56503   
 H3531    H    -2.24580   -0.38720   0.58212   
 O3532    O    -2.23337   -0.38466   0.59958   
 O3533    O    -2.26581   -0.39413   0.55908   
 H3534    H    -2.75428   -0.29367   0.42933   
 H3535    H    -2.72406   -0.29982   0.42432   
 H3536    H    -2.76371   -0.28622   0.47557   
 O3537    O    -2.73427   -0.29795   0.40201   
 O3538    O    -2.76673   -0.28916   0.44351   
 H3539    H    -2.70015   -0.24864   0.35923   
 O3540    O    -2.71395   -0.24956   0.35614   
 H3541    H    -2.72300   -0.38644   0.57273   
 H3542    H    -2.76531   -0.37500   0.61442   
 H3543    H    -2.74558   -0.38953   0.57163   
 O3544    O    -2.73277   -0.39373   0.55880   
 O3545    O    -2.76610   -0.38566   0.59719   
 Zr3546   Zr   -2.26809   -0.23555   0.41514   
 Zr3547   Zr   -2.22886   -0.26496   0.41047   
 Zr3548   Zr   -2.27161   -0.41813   0.59098   
 Zr3549   Zr   -2.73193   -0.23554   0.41518   
 Zr3550   Zr   -2.72847   -0.27634   0.35929   
 Zr3551   Zr   -2.77125   -0.40675   0.64218   
 Zr3552   Zr   -2.49968   -0.21477   0.62426   
 O3553    O    -2.25832   -0.26044   0.40381   
 O3554    O    -2.74296   -0.26010   0.40535   
 H3555    H    -2.81038   0.74211    0.42663   
 H3556    H    -2.80093   0.76727    0.40396   
 H3557    H    -2.80987   0.77666    0.35978   
 O3558    O    -2.80001   0.77795    0.38348   
 O3559    O    -2.79922   0.74918    0.43253   
 C3560    C    -3.17702   0.57295    0.49128   
 C3561    C    -3.18243   0.58455    0.52662   
 C3562    C    -3.17389   0.60096    0.52778   
 C3563    C    -3.16039   0.60574    0.49402   
 C3564    C    -3.15489   0.59421    0.45830   
 C3565    C    -3.16341   0.57769    0.45781   
 C3566    C    -3.17676   0.69530    0.29164   
 C3567    C    -3.18243   0.70108    0.33614   
 C3568    C    -3.17320   0.69423    0.37574   
 C3569    C    -3.15907   0.68159    0.37105   
 C3570    C    -3.15357   0.67543    0.32656   
 C3571    C    -3.16251   0.68275    0.28699   
 C3572    C    -3.19780   0.57970    0.56066   
 C3573    C    -3.19836   0.71397    0.34032   
 C3574    C    -3.08226   0.66882    0.17610   
 C3575    C    -3.06284   0.66763    0.18978   
 C3576    C    -3.05849   0.66229    0.23553   
 C3577    C    -3.07321   0.65789    0.26648   
 C3578    C    -3.09272   0.65862    0.25268   
 C3579    C    -3.09694   0.66444    0.20713   
 C3580    C    -3.08177   0.54787    0.37293   
 C3581    C    -3.06246   0.55306    0.37747   
 C3582    C    -3.05834   0.57053    0.38580   
 C3583    C    -3.07318   0.58260    0.38840   
 C3584    C    -3.09260   0.57756    0.38295   
 C3585    C    -3.09660   0.55993    0.37583   
 C3586    C    -3.04673   0.54002    0.37321   
 C3587    C    -3.04704   0.67165    0.15618   
 C3588    C    -3.13880   0.66330    0.32268   
 C3589    C    -3.13781   0.64750    0.34967   
 C3590    C    -3.15307   0.64197    0.37676   
 C3591    C    -3.12366   0.66588    0.28978   
 C3592    C    -3.12231   0.63576    0.34573   
 C3593    C    -3.10736   0.58978    0.39144   
 C3594    C    -3.10750   0.60626    0.36751   
 C3595    C    -3.09434   0.61011    0.33287   
 C3596    C    -3.12370   0.58623    0.41998   
 C3597    C    -3.12232   0.61853    0.37389   
 C3598    C    -3.13884   0.59816    0.42916   
 C3599    C    -3.13783   0.61434    0.40387   
 C3600    C    -3.15308   0.62576    0.40327   
 C3601    C    -3.10732   0.65491    0.28496   
 C3602    C    -3.10748   0.63941    0.31331   
 C3603    C    -3.09433   0.62632    0.30637   
 H3604    H    -3.18375   0.56031    0.49042   
 H3605    H    -3.17827   0.60997    0.55495   
 H3606    H    -3.15406   0.61858    0.49528   
 H3607    H    -3.15941   0.56853    0.43068   
 H3608    H    -3.18383   0.70072    0.26111   
 H3609    H    -3.17762   0.69870    0.41022   
 H3610    H    -3.15229   0.67629    0.40224   
 H3611    H    -3.15839   0.67838    0.25218   
 H3612    H    -3.08551   0.67310    0.14074   
 H3613    H    -3.04347   0.66163    0.24620   
 H3614    H    -3.06958   0.65368    0.30173   
 H3615    H    -3.11190   0.66537    0.19583   
 H3616    H    -3.08484   0.53430    0.36682   
 H3617    H    -3.04338   0.57443    0.39015   
 H3618    H    -3.06970   0.59608    0.39464   
 H3619    H    -3.11149   0.55572    0.37198   
 H3620    H    -3.12389   0.67750    0.26964   
 H3621    H    -3.08441   0.60069    0.32150   
 H3622    H    -3.16621   0.64881    0.37653   
 H3623    H    -3.12394   0.57424    0.43845   
 H3624    H    -3.08440   0.62701    0.27847   
 H3625    H    -3.16622   0.62249    0.41956   
 O3626    O    -3.20703   0.71794    0.30260   
 O3627    O    -3.20596   0.56521    0.55435   
 O3628    O    -3.20189   0.59045    0.59282   
 O3629    O    -3.20241   0.71974    0.38073   
 O3630    O    -3.02977   0.66993    0.17048   
 O3631    O    -3.05210   0.67650    0.11555   
 O3632    O    -3.05195   0.52443    0.36778   
 O3633    O    -3.02939   0.54534    0.37535   
 C3634    C    -2.82315   0.57311    0.49115   
 C3635    C    -2.81746   0.58488    0.52586   
 C3636    C    -2.82661   0.60102    0.52793   
 C3637    C    -2.84072   0.60546    0.49541   
 C3638    C    -2.84624   0.59385    0.45981   
 C3639    C    -2.83733   0.57753    0.45882   
 C3640    C    -2.82328   0.69537    0.29092   
 C3641    C    -2.81784   0.70142    0.33532   
 C3642    C    -2.82651   0.69415    0.37511   
 C3643    C    -2.84003   0.68094    0.37060   
 C3644    C    -2.84547   0.67468    0.32624   
 C3645    C    -2.83690   0.68226    0.28649   
 C3646    C    -2.80162   0.58015    0.55889   
 C3647    C    -2.80239   0.71472    0.33971   
 C3648    C    -2.91810   0.66989    0.17764   
 C3649    C    -2.93745   0.66904    0.19205   
 C3650    C    -2.94159   0.66352    0.23774   
 C3651    C    -2.92681   0.65855    0.26788   
 C3652    C    -2.90736   0.65902    0.25340   
 C3653    C    -2.90333   0.66502    0.20793   
 C3654    C    -2.91795   0.54762    0.37782   
 C3655    C    -2.93727   0.55267    0.38337   
 C3656    C    -2.94149   0.57023    0.38984   
 C3657    C    -2.92675   0.58247    0.38996   
 C3658    C    -2.90731   0.57755    0.38405   
 C3659    C    -2.90324   0.55986    0.37833   
 C3660    C    -2.95308   0.67362    0.15833   
 C3661    C    -2.95300   0.53957    0.37988   
 C3662    C    -2.89263   0.65491    0.28496   
 C3663    C    -2.89250   0.63941    0.31328   
 C3664    C    -2.90563   0.62632    0.30636   
 C3665    C    -2.87630   0.66587    0.28977   
 C3666    C    -2.87768   0.63577    0.34574   
 C3667    C    -2.86122   0.59816    0.42916   
 C3668    C    -2.86219   0.61434    0.40385   
 C3669    C    -2.84696   0.62576    0.40325   
 C3670    C    -2.87633   0.58623    0.41999   
 C3671    C    -2.87770   0.61853    0.37389   
 C3672    C    -2.89267   0.58978    0.39144   
 C3673    C    -2.89251   0.60625    0.36748   
 C3674    C    -2.90564   0.61010    0.33286   
 C3675    C    -2.86118   0.66330    0.32268   
 C3676    C    -2.86217   0.64749    0.34965   
 C3677    C    -2.84695   0.64197    0.37675   
 H3678    H    -2.81610   0.56059    0.48980   
 H3679    H    -2.82215   0.61013    0.55484   
 H3680    H    -2.84745   0.61812    0.49733   
 H3681    H    -2.84147   0.56826    0.43204   
 H3682    H    -2.81650   0.70100    0.26026   
 H3683    H    -2.82216   0.69876    0.40947   
 H3684    H    -2.84640   0.67536    0.40193   
 H3685    H    -2.84088   0.67772    0.25179   
 H3686    H    -2.91495   0.67425    0.14233   
 H3687    H    -2.95658   0.66285    0.24879   
 H3688    H    -2.93037   0.65411    0.30293   
 H3689    H    -2.88842   0.66568    0.19600   
 H3690    H    -2.91478   0.53403    0.37270   
 H3691    H    -2.95645   0.57412    0.39374   
 H3692    H    -2.93034   0.59602    0.39450   
 H3693    H    -2.88835   0.55569    0.37389   
 H3694    H    -2.83382   0.62249    0.41955   
 H3695    H    -2.87607   0.67750    0.26964   
 H3696    H    -2.87612   0.57423    0.43845   
 H3697    H    -2.91555   0.62701    0.27848   
 H3698    H    -2.83381   0.64881    0.37652   
 H3699    H    -2.91556   0.60069    0.32151   
 O3700    O    -2.79413   0.71939    0.30205   
 O3701    O    -2.79761   0.59062    0.59167   
 O3702    O    -2.79300   0.56596    0.55091   
 O3703    O    -2.79828   0.72014    0.38052   
 O3704    O    -2.94794   0.52427    0.36970   
 O3705    O    -2.97035   0.67375    0.17321   
 O3706    O    -2.94786   0.67673    0.11651   
 O3707    O    -2.97024   0.54466    0.38633   
 H3708    H    -3.23536   0.58720    0.54810   
 O3709    O    -3.23923   0.58178    0.57700   
 H3710    H    -3.19016   0.74065    0.41878   
 H3711    H    -3.19911   0.75946    0.41691   
 H3712    H    -3.18963   0.77864    0.36728   
 O3713    O    -3.20082   0.77722    0.38692   
 O3714    O    -3.20001   0.74779    0.43288   
 H3715    H    -3.29975   0.52943    0.59446   
 H3716    H    -3.30067   0.55686    0.58199   
 H3717    H    -3.29632   0.56502    0.53231   
 O3718    O    -3.29927   0.56815    0.56425   
 O3719    O    -3.29950   0.53954    0.61402   
 H3720    H    -3.23650   0.70681    0.35061   
 O3721    O    -3.24070   0.71868    0.35067   
 H3722    H    -2.76357   0.58687    0.54662   
 O3723    O    -2.75939   0.58136    0.57513   
 H3724    H    -2.76471   0.70712    0.35199   
 O3725    O    -2.76084   0.71908    0.35249   
 Zr3726   Zr   -3.22633   0.59163    0.64655   
 Zr3727   Zr   -3.27333   0.72462    0.35203   
 Zr3728   Zr   -2.72674   0.57908    0.59009   
 Zr3729   Zr   -2.77377   0.73717    0.40848   
 Zr3730   Zr   -2.99955   0.53148    0.37567   
 Zr3731   Zr   -2.96371   0.50007    0.35006   
 O3732    O    -3.26084   0.55612    0.59934   
 O3733    O    -2.77619   0.56594    0.64351   
 C3734    C    -3.24139   0.37262    0.71385   
 C3735    C    -3.25506   0.38227    0.73898   
 C3736    C    -3.26834   0.39243    0.71415   
 C3737    C    -3.26767   0.39328    0.66550   
 C3738    C    -3.25373   0.38392    0.64001   
 C3739    C    -3.24081   0.37342    0.66519   
 C3740    C    -3.24132   0.49483    0.51337   
 C3741    C    -3.25521   0.49864    0.54765   
 C3742    C    -3.26807   0.48563    0.56163   
 C3743    C    -3.26687   0.46914    0.54241   
 C3744    C    -3.25287   0.46515    0.50827   
 C3745    C    -3.24024   0.47839    0.49396   
 C3746    C    -3.25487   0.38181    0.79122   
 C3747    C    -3.25546   0.51598    0.57024   
 C3748    C    -3.24004   0.32239    0.48469   
 C3749    C    -3.25333   0.31869    0.44899   
 C3750    C    -3.26682   0.33134    0.43608   
 C3751    C    -3.26673   0.34743    0.45774   
 C3752    C    -3.25314   0.35142    0.49279   
 C3753    C    -3.24002   0.33848    0.50630   
 C3754    C    -3.23997   0.44291    0.28590   
 C3755    C    -3.25361   0.43318    0.26094   
 C3756    C    -3.26696   0.42309    0.28579   
 C3757    C    -3.26638   0.42241    0.33445   
 C3758    C    -3.25248   0.43188    0.35978   
 C3759    C    -3.23950   0.44232    0.33458   
 C3760    C    -3.25363   0.43367    0.20874   
 C3761    C    -3.25296   0.30174    0.42444   
 C3762    C    -3.25386   0.43251    0.40905   
 C3763    C    -3.25471   0.41682    0.43657   
 C3764    C    -3.25262   0.40078    0.41637   
 C3765    C    -3.25267   0.44814    0.43490   
 C3766    C    -3.25542   0.41694    0.48593   
 C3767    C    -3.25392   0.38414    0.59098   
 C3768    C    -3.25476   0.39983    0.56348   
 C3769    C    -3.25267   0.41587    0.58366   
 C3770    C    -3.25269   0.36850    0.56512   
 C3771    C    -3.25543   0.39971    0.51409   
 C3772    C    -3.25389   0.36737    0.51553   
 C3773    C    -3.25473   0.38367    0.49077   
 C3774    C    -3.25263   0.38457    0.44287   
 C3775    C    -3.25389   0.44928    0.48449   
 C3776    C    -3.25474   0.43299    0.50928   
 C3777    C    -3.25267   0.43208    0.55716   
 H3778    H    -3.23120   0.36471    0.73316   
 H3779    H    -3.27889   0.39990    0.73372   
 H3780    H    -3.27793   0.40141    0.64704   
 H3781    H    -3.23005   0.36591    0.64635   
 H3782    H    -3.23136   0.50493    0.50279   
 H3783    H    -3.27872   0.48856    0.58843   
 H3784    H    -3.27683   0.45920    0.55412   
 H3785    H    -3.22934   0.47569    0.46752   
 H3786    H    -3.22973   0.31248    0.49472   
 H3787    H    -3.27726   0.32834    0.40895   
 H3788    H    -3.27723   0.35712    0.44714   
 H3789    H    -3.22953   0.34115    0.53377   
 H3790    H    -3.22978   0.45079    0.26643   
 H3791    H    -3.27772   0.41583    0.26632   
 H3792    H    -3.27677   0.41446    0.35307   
 H3793    H    -3.22877   0.44986    0.35338   
 H3794    H    -3.24946   0.41697    0.61957   
 H3795    H    -3.25220   0.45996    0.41560   
 H3796    H    -3.25225   0.35669    0.58442   
 H3797    H    -3.24938   0.39968    0.38045   
 H3798    H    -3.24945   0.44329    0.57655   
 H3799    H    -3.24939   0.37336    0.42347   
 O3800    O    -3.24216   0.52640    0.55843   
 O3801    O    -3.26813   0.38980    0.81288   
 O3802    O    -3.24102   0.37361    0.81018   
 O3803    O    -3.26860   0.51900    0.60023   
 O3804    O    -3.26509   0.29936    0.39169   
 O3805    O    -3.24043   0.29092    0.43823   
 O3806    O    -3.24157   0.44379    0.18958   
 O3807    O    -3.26561   0.42406    0.18735   
 C3808    C    -2.76004   0.32249    0.48268   
 C3809    C    -2.74639   0.31885    0.44779   
 C3810    C    -2.73304   0.33165    0.43518   
 C3811    C    -2.73361   0.34786    0.45622   
 C3812    C    -2.74749   0.35174    0.49073   
 C3813    C    -2.76052   0.33865    0.50395   
 C3814    C    -2.75985   0.44358    0.28673   
 C3815    C    -2.74661   0.43359    0.26127   
 C3816    C    -2.73311   0.42351    0.28558   
 C3817    C    -2.73316   0.42310    0.33428   
 C3818    C    -2.74672   0.43272    0.36016   
 C3819    C    -2.75986   0.44315    0.33543   
 C3820    C    -2.74701   0.43344    0.20916   
 C3821    C    -2.74634   0.30157    0.42473   
 C3822    C    -2.75901   0.37248    0.71400   
 C3823    C    -2.74512   0.38181    0.73915   
 C3824    C    -2.73228   0.39252    0.71472   
 C3825    C    -2.73347   0.39402    0.66618   
 C3826    C    -2.74741   0.38474    0.64057   
 C3827    C    -2.76008   0.37387    0.66548   
 C3828    C    -2.75873   0.49471    0.51386   
 C3829    C    -2.74508   0.49836    0.54878   
 C3830    C    -2.73178   0.48551    0.56138   
 C3831    C    -2.73248   0.46928    0.54052   
 C3832    C    -2.74640   0.46536    0.50615   
 C3833    C    -2.75933   0.47851    0.49279   
 C3834    C    -2.74480   0.38097    0.79125   
 C3835    C    -2.74531   0.51556    0.57235   
 C3836    C    -2.74620   0.44928    0.48449   
 C3837    C    -2.74536   0.43298    0.50926   
 C3838    C    -2.74746   0.43208    0.55715   
 C3839    C    -2.74739   0.44815    0.43492   
 C3840    C    -2.74466   0.41694    0.48593   
 C3841    C    -2.74620   0.36737    0.51553   
 C3842    C    -2.74535   0.38366    0.49074   
 C3843    C    -2.74743   0.38456    0.44286   
 C3844    C    -2.74744   0.36850    0.56510   
 C3845    C    -2.74467   0.39971    0.51410   
 C3846    C    -2.74623   0.38414    0.59097   
 C3847    C    -2.74538   0.39983    0.56346   
 C3848    C    -2.74747   0.41587    0.58366   
 C3849    C    -2.74617   0.43250    0.40905   
 C3850    C    -2.74534   0.41681    0.43654   
 C3851    C    -2.74742   0.40078    0.41636   
 H3852    H    -2.77023   0.31246    0.49252   
 H3853    H    -2.72227   0.32870    0.40870   
 H3854    H    -2.72321   0.35765    0.44584   
 H3855    H    -2.77124   0.34124    0.53082   
 H3856    H    -2.77015   0.45145    0.26761   
 H3857    H    -2.72271   0.41601    0.26571   
 H3858    H    -2.72266   0.41515    0.35256   
 H3859    H    -2.77031   0.45088    0.35458   
 H3860    H    -2.76897   0.36427    0.73312   
 H3861    H    -2.72164   0.39987    0.73437   
 H3862    H    -2.72349   0.40251    0.64789   
 H3863    H    -2.77096   0.36654    0.64660   
 H3864    H    -2.76890   0.50473    0.50399   
 H3865    H    -2.72120   0.48833    0.58846   
 H3866    H    -2.72220   0.45943    0.55129   
 H3867    H    -2.77009   0.47592    0.46597   
 H3868    H    -2.74785   0.45996    0.41561   
 H3869    H    -2.75065   0.37336    0.42348   
 H3870    H    -2.75070   0.44329    0.57655   
 H3871    H    -2.74790   0.35669    0.58442   
 H3872    H    -2.75063   0.39968    0.38045   
 H3873    H    -2.75071   0.41697    0.61958   
 O3874    O    -2.73432   0.29903    0.39182   
 O3875    O    -2.75840   0.29057    0.44009   
 O3876    O    -2.75952   0.44298    0.18961   
 O3877    O    -2.73489   0.42385    0.18820   
 O3878    O    -2.75919   0.52555    0.56169   
 O3879    O    -2.75807   0.37219    0.81063   
 O3880    O    -2.73163   0.38930    0.81251   
 O3881    O    -2.73210   0.51889    0.60178   
 H3882    H    -2.79985   0.25230    0.35749   
 O3883    O    -2.78604   0.25170    0.35391   
 H3884    H    -3.27152   0.27133    0.44307   
 O3885    O    -3.26600   0.26557    0.41632   
 H3886    H    -2.70387   0.52902    0.59131   
 H3887    H    -2.69951   0.54906    0.59497   
 H3888    H    -2.70036   0.56594    0.53500   
 O3889    O    -2.70065   0.56758    0.56843   
 O3890    O    -2.70091   0.53799    0.61371   
 H3891    H    -3.02834   0.51854    0.43649   
 O3892    O    -3.02004   0.51324    0.41354   
 H3893    H    -2.97180   0.46801    0.40049   
 O3894    O    -2.97986   0.47661    0.38587   
 H3895    H    -2.98645   0.30642    0.49320   
 H3896    H    -2.99976   0.29354    0.52176   
 H3897    H    -2.98944   0.26908    0.54766   
 O3898    O    -3.00034   0.27639    0.55448   
 O3899    O    -2.99926   0.30533    0.50627   
 H3900    H    -2.98928   0.54759    0.45223   
 H3901    H    -2.99966   0.52317    0.47822   
 H3902    H    -2.98638   0.51031    0.50677   
 O3903    O    -2.99920   0.51139    0.49372   
 O3904    O    -3.00020   0.54032    0.44542   
 H3905    H    -3.00032   0.36393    0.58692   
 H3906    H    -3.01082   0.35431    0.52100   
 H3907    H    -3.01349   0.37454    0.62188   
 O3908    O    -2.99983   0.35181    0.54051   
 O3909    O    -3.00071   0.36967    0.61884   
 H3910    H    -3.02846   0.29811    0.56352   
 O3911    O    -3.02016   0.30342    0.58640   
 H3912    H    -2.97186   0.34872    0.59942   
 O3913    O    -2.97993   0.34012    0.61404   
 H3914    H    -3.01342   0.44215    0.37809   
 H3915    H    -3.01074   0.46240    0.47895   
 H3916    H    -3.00024   0.45277    0.41305   
 O3917    O    -3.00063   0.44702    0.38116   
 O3918    O    -2.99974   0.46490    0.45946   
 Zr3919   Zr   -3.23193   0.55207    0.58473   
 Zr3920   Zr   -2.76824   0.55206    0.58469   
 Zr3921   Zr   -3.03616   0.50000    0.35013   
 Zr3922   Zr   -3.00046   0.32608    0.56467   
 Zr3923   Zr   -3.00039   0.49061    0.43528   
 O3924    O    -3.22400   0.56484    0.64542   
 O3925    O    -2.75704   0.27271    0.35172   
 O3926    O    -2.73931   0.55501    0.60121   
 O3927    O    -3.24167   0.27237    0.35019   
 O3928    O    -2.98477   0.30742    0.60470   
 O3929    O    -3.01544   0.33339    0.62456   
 O3930    O    -3.01537   0.48326    0.37541   
 O3931    O    -2.98466   0.50931    0.39520   
 C3932    C    -2.82246   0.12239    0.70953   
 C3933    C    -2.81632   0.11678    0.66524   
 C3934    C    -2.82545   0.12339    0.62522   
 C3935    C    -2.84008   0.13561    0.62943   
 C3936    C    -2.84599   0.14165    0.67368   
 C3937    C    -2.83709   0.13458    0.71363   
 C3938    C    -2.82184   0.24305    0.51140   
 C3939    C    -2.81617   0.23120    0.47691   
 C3940    C    -2.82539   0.21509    0.47468   
 C3941    C    -2.83965   0.21078    0.50699   
 C3942    C    -2.84518   0.22246    0.54230   
 C3943    C    -2.83620   0.23876    0.54345   
 C3944    C    -2.80047   0.23588    0.44354   
 C3945    C    -2.80016   0.10425    0.66056   
 C3946    C    -2.91819   0.26906    0.62282   
 C3947    C    -2.93751   0.26405    0.61713   
 C3948    C    -2.94181   0.24651    0.61084   
 C3949    C    -2.92712   0.23422    0.61087   
 C3950    C    -2.90768   0.23911    0.61672   
 C3951    C    -2.90352   0.25679    0.62242   
 C3952    C    -2.91827   0.14666    0.82223   
 C3953    C    -2.93760   0.14755    0.80772   
 C3954    C    -2.94166   0.15302    0.76191   
 C3955    C    -2.92682   0.15794    0.73191   
 C3956    C    -2.90740   0.15747    0.74651   
 C3957    C    -2.90342   0.15147    0.79205   
 C3958    C    -2.95318   0.27717    0.62023   
 C3959    C    -2.95331   0.14309    0.84141   
 C3960    C    -2.86126   0.21848    0.57086   
 C3961    C    -2.86226   0.20230    0.59615   
 C3962    C    -2.84701   0.19089    0.59676   
 C3963    C    -2.87639   0.23042    0.58004   
 C3964    C    -2.87777   0.19811    0.62613   
 C3965    C    -2.89277   0.16174    0.71506   
 C3966    C    -2.89261   0.17724    0.68671   
 C3967    C    -2.90576   0.19033    0.69365   
 C3968    C    -2.87643   0.15077    0.71024   
 C3969    C    -2.87778   0.18088    0.65430   
 C3970    C    -2.86129   0.15335    0.67734   
 C3971    C    -2.86228   0.16915    0.65035   
 C3972    C    -2.84702   0.17468    0.62326   
 C3973    C    -2.89274   0.22687    0.60858   
 C3974    C    -2.89260   0.21039    0.63251   
 C3975    C    -2.90575   0.20654    0.66715   
 H3976    H    -2.81542   0.11710    0.74036   
 H3977    H    -2.82087   0.11883    0.59107   
 H3978    H    -2.84694   0.14067    0.59803   
 H3979    H    -2.84158   0.13883    0.74823   
 H3980    H    -2.81473   0.25554    0.51265   
 H3981    H    -2.82120   0.20609    0.44739   
 H3982    H    -2.84657   0.19821    0.50485   
 H3983    H    -2.84036   0.24805    0.57009   
 H3984    H    -2.91498   0.28265    0.62791   
 H3985    H    -2.95680   0.24266    0.60691   
 H3986    H    -2.93075   0.22066    0.60637   
 H3987    H    -2.88865   0.26093    0.62694   
 H3988    H    -2.91519   0.14231    0.85758   
 H3989    H    -2.95664   0.15372    0.75067   
 H3990    H    -2.93030   0.16237    0.69678   
 H3991    H    -2.88856   0.15077    0.80410   
 H3992    H    -2.87615   0.24241    0.56157   
 H3993    H    -2.91569   0.18964    0.72155   
 H3994    H    -2.83387   0.19416    0.58047   
 H3995    H    -2.87620   0.13915    0.73038   
 H3996    H    -2.91568   0.21596    0.67852   
 H3997    H    -2.83388   0.16784    0.62349   
 O3998    O    -2.79502   0.10000    0.61941   
 O3999    O    -2.79271   0.09875    0.69831   
 O4000    O    -2.79361   0.25103    0.44700   
 O4001    O    -2.79510   0.22450    0.41422   
 O4002    O    -2.94811   0.14003    0.88328   
 O4003    O    -2.94809   0.29248    0.63024   
 O4004    O    -2.97043   0.27211    0.61366   
 O4005    O    -2.97057   0.14299    0.82655   
 C4006    C    -3.17832   0.12270    0.70848   
 C4007    C    -3.18399   0.11692    0.66399   
 C4008    C    -3.17478   0.12372    0.62436   
 C4009    C    -3.16051   0.13628    0.62899   
 C4010    C    -3.15495   0.14238    0.67349   
 C4011    C    -3.16397   0.13516    0.71313   
 C4012    C    -3.17759   0.24357    0.51156   
 C4013    C    -3.18375   0.23169    0.47761   
 C4014    C    -3.17461   0.21557    0.47474   
 C4015    C    -3.15994   0.21126    0.50591   
 C4016    C    -3.15400   0.22292    0.54096   
 C4017    C    -3.16291   0.23923    0.54266   
 C4018    C    -3.19994   0.23597    0.44540   
 C4019    C    -3.19966   0.10381    0.65967   
 C4020    C    -3.08191   0.26862    0.62736   
 C4021    C    -3.06259   0.26349    0.62278   
 C4022    C    -3.05846   0.24603    0.61446   
 C4023    C    -3.07329   0.23392    0.61186   
 C4024    C    -3.09273   0.23892    0.61726   
 C4025    C    -3.09673   0.25654    0.62443   
 C4026    C    -3.08251   0.14766    0.82385   
 C4027    C    -3.06311   0.14894    0.81018   
 C4028    C    -3.05872   0.15426    0.76446   
 C4029    C    -3.07343   0.15860    0.73345   
 C4030    C    -3.09295   0.15779    0.74717   
 C4031    C    -3.09719   0.15198    0.79271   
 C4032    C    -3.04730   0.14498    0.84384   
 C4033    C    -3.04686   0.27656    0.62693   
 C4034    C    -3.10743   0.22687    0.60858   
 C4035    C    -3.10758   0.21040    0.63254   
 C4036    C    -3.09445   0.20654    0.66716   
 C4037    C    -3.12375   0.23042    0.58005   
 C4038    C    -3.12240   0.19811    0.62612   
 C4039    C    -3.13891   0.15335    0.67734   
 C4040    C    -3.13792   0.16915    0.65037   
 C4041    C    -3.15314   0.17468    0.62328   
 C4042    C    -3.12380   0.15077    0.71023   
 C4043    C    -3.12240   0.18088    0.65430   
 C4044    C    -3.10746   0.16174    0.71506   
 C4045    C    -3.10759   0.17724    0.68674   
 C4046    C    -3.09446   0.19033    0.69366   
 C4047    C    -3.13888   0.21848    0.57086   
 C4048    C    -3.13790   0.20231    0.59617   
 C4049    C    -3.15313   0.19089    0.59678   
 H4050    H    -3.18542   0.11728    0.73902   
 H4051    H    -3.17897   0.11901    0.58998   
 H4052    H    -3.15360   0.14145    0.59785   
 H4053    H    -3.15981   0.13951    0.74789   
 H4054    H    -3.18464   0.25606    0.51325   
 H4055    H    -3.17924   0.20653    0.44795   
 H4056    H    -3.15309   0.19869    0.50340   
 H4057    H    -3.15841   0.24855    0.56897   
 H4058    H    -3.08500   0.28219    0.63345   
 H4059    H    -3.04350   0.24212    0.61010   
 H4060    H    -3.06981   0.22044    0.60561   
 H4061    H    -3.11161   0.26077    0.62826   
 H4062    H    -3.08576   0.14339    0.85917   
 H4063    H    -3.04369   0.15498    0.75386   
 H4064    H    -3.06979   0.16279    0.69823   
 H4065    H    -3.11215   0.15102    0.80400   
 H4066    H    -3.12397   0.24241    0.56157   
 H4067    H    -3.16628   0.16784    0.62350   
 H4068    H    -3.08453   0.21596    0.67852   
 H4069    H    -3.12402   0.13915    0.73039   
 H4070    H    -3.16627   0.19416    0.58048   
 H4071    H    -3.08454   0.18964    0.72154   
 O4072    O    -3.20498   0.09949    0.61874   
 O4073    O    -3.20649   0.09784    0.69764   
 O4074    O    -3.20742   0.25084    0.44983   
 O4075    O    -3.20511   0.22452    0.41607   
 O4076    O    -3.02952   0.27129    0.62469   
 O4077    O    -3.05210   0.29217    0.63227   
 O4078    O    -3.05238   0.14013    0.88445   
 O4079    O    -3.03003   0.14674    0.82958   
 H4080    H    -2.75452   0.20399    0.41881   
 H4081    H    -2.73482   0.21115    0.47368   
 H4082    H    -2.77711   0.20291    0.42669   
 O4083    O    -2.73403   0.21051    0.44005   
 O4084    O    -2.76735   0.20176    0.40269   
 H4085    H    -2.72852   0.27037    0.44473   
 O4086    O    -2.73403   0.26431    0.41850   
 H4087    H    -2.73640   0.12443    0.62159   
 H4088    H    -2.77602   0.11402    0.56503   
 H4089    H    -2.74580   0.11280    0.58212   
 O4090    O    -2.73337   0.11534    0.59958   
 O4091    O    -2.76581   0.10587    0.55908   
 H4092    H    -3.25428   0.20633    0.42933   
 H4093    H    -3.22406   0.20018    0.42432   
 H4094    H    -3.26371   0.21378    0.47557   
 O4095    O    -3.23427   0.20205    0.40201   
 O4096    O    -3.26673   0.21084    0.44351   
 H4097    H    -3.20015   0.25136    0.35923   
 O4098    O    -3.21395   0.25044    0.35614   
 H4099    H    -3.22300   0.11356    0.57273   
 H4100    H    -3.26531   0.12500    0.61442   
 H4101    H    -3.24558   0.11047    0.57163   
 O4102    O    -3.23277   0.10627    0.55880   
 O4103    O    -3.26610   0.11434    0.59719   
 Zr4104   Zr   -2.76809   0.26445    0.41514   
 Zr4105   Zr   -2.72886   0.23504    0.41047   
 Zr4106   Zr   -2.77161   0.08187    0.59098   
 Zr4107   Zr   -3.23193   0.26446    0.41518   
 Zr4108   Zr   -3.22847   0.22366    0.35929   
 Zr4109   Zr   -3.27125   0.09325    0.64218   
 Zr4110   Zr   -2.99968   0.28523    0.62426   
 O4111    O    -2.75832   0.23956    0.40381   
 O4112    O    -3.24296   0.23990    0.40535   
 C4113    C    -3.74139   0.87262    0.71385   
 C4114    C    -3.75506   0.88227    0.73898   
 C4115    C    -3.76834   0.89243    0.71415   
 C4116    C    -3.76767   0.89328    0.66550   
 C4117    C    -3.75373   0.88392    0.64001   
 C4118    C    -3.74081   0.87342    0.66519   
 C4119    C    -3.74132   0.99483    0.51337   
 C4120    C    -3.75521   0.99864    0.54765   
 C4121    C    -3.76807   0.98563    0.56163   
 C4122    C    -3.76687   0.96914    0.54241   
 C4123    C    -3.75287   0.96515    0.50827   
 C4124    C    -3.74024   0.97839    0.49396   
 C4125    C    -3.75487   0.88181    0.79122   
 C4126    C    -3.75546   1.01598    0.57024   
 C4127    C    -3.74004   0.82239    0.48469   
 C4128    C    -3.75333   0.81869    0.44899   
 C4129    C    -3.76682   0.83134    0.43608   
 C4130    C    -3.76673   0.84743    0.45774   
 C4131    C    -3.75314   0.85142    0.49279   
 C4132    C    -3.74002   0.83848    0.50630   
 C4133    C    -3.73997   0.94291    0.28590   
 C4134    C    -3.75361   0.93318    0.26094   
 C4135    C    -3.76696   0.92309    0.28579   
 C4136    C    -3.76638   0.92241    0.33445   
 C4137    C    -3.75248   0.93188    0.35978   
 C4138    C    -3.73950   0.94232    0.33458   
 C4139    C    -3.75363   0.93367    0.20874   
 C4140    C    -3.75296   0.80174    0.42444   
 C4141    C    -3.75386   0.93251    0.40905   
 C4142    C    -3.75471   0.91682    0.43657   
 C4143    C    -3.75262   0.90078    0.41637   
 C4144    C    -3.75267   0.94814    0.43490   
 C4145    C    -3.75542   0.91694    0.48593   
 C4146    C    -3.75392   0.88414    0.59098   
 C4147    C    -3.75476   0.89983    0.56348   
 C4148    C    -3.75267   0.91587    0.58366   
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 C4155    C    -3.75474   0.93299    0.50928   
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 H4163    H    -3.77683   0.95920    0.55412   
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 H4165    H    -3.72973   0.81248    0.49472   
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 H4167    H    -3.77723   0.85712    0.44714   
 H4168    H    -3.72953   0.84115    0.53377   
 H4169    H    -3.72978   0.95079    0.26643   
 H4170    H    -3.77772   0.91583    0.26632   
 H4171    H    -3.77677   0.91446    0.35307   
 H4172    H    -3.72877   0.94986    0.35338   
 H4173    H    -3.74946   0.91697    0.61957   
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 H4175    H    -3.75225   0.85669    0.58442   
 H4176    H    -3.74938   0.89968    0.38045   
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 O4181    O    -3.74102   0.87361    0.81018   
 O4182    O    -3.76860   1.01900    0.60023   
 O4183    O    -3.76509   0.79936    0.39169   
 O4184    O    -3.74043   0.79092    0.43823   
 O4185    O    -3.74157   0.94379    0.18958   
 O4186    O    -3.76561   0.92406    0.18735   
 C4187    C    -3.26004   0.82249    0.48268   
 C4188    C    -3.24639   0.81885    0.44779   
 C4189    C    -3.23304   0.83165    0.43518   
 C4190    C    -3.23361   0.84786    0.45622   
 C4191    C    -3.24749   0.85174    0.49073   
 C4192    C    -3.26052   0.83865    0.50395   
 C4193    C    -3.25985   0.94358    0.28673   
 C4194    C    -3.24661   0.93359    0.26127   
 C4195    C    -3.23311   0.92351    0.28558   
 C4196    C    -3.23316   0.92310    0.33428   
 C4197    C    -3.24672   0.93272    0.36016   
 C4198    C    -3.25986   0.94315    0.33543   
 C4199    C    -3.24701   0.93344    0.20916   
 C4200    C    -3.24634   0.80157    0.42473   
 C4201    C    -3.25901   0.87248    0.71400   
 C4202    C    -3.24512   0.88181    0.73915   
 C4203    C    -3.23228   0.89252    0.71472   
 C4204    C    -3.23347   0.89402    0.66618   
 C4205    C    -3.24741   0.88474    0.64057   
 C4206    C    -3.26008   0.87387    0.66548   
 C4207    C    -3.25873   0.99471    0.51386   
 C4208    C    -3.24508   0.99836    0.54878   
 C4209    C    -3.23178   0.98551    0.56138   
 C4210    C    -3.23248   0.96928    0.54052   
 C4211    C    -3.24640   0.96536    0.50615   
 C4212    C    -3.25933   0.97851    0.49279   
 C4213    C    -3.24480   0.88097    0.79125   
 C4214    C    -3.24531   1.01556    0.57235   
 C4215    C    -3.24620   0.94928    0.48449   
 C4216    C    -3.24536   0.93298    0.50926   
 C4217    C    -3.24746   0.93208    0.55715   
 C4218    C    -3.24739   0.94815    0.43492   
 C4219    C    -3.24466   0.91694    0.48593   
 C4220    C    -3.24620   0.86737    0.51553   
 C4221    C    -3.24535   0.88366    0.49074   
 C4222    C    -3.24743   0.88456    0.44286   
 C4223    C    -3.24744   0.86850    0.56510   
 C4224    C    -3.24467   0.89971    0.51410   
 C4225    C    -3.24623   0.88414    0.59097   
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 C4228    C    -3.24617   0.93250    0.40905   
 C4229    C    -3.24534   0.91681    0.43654   
 C4230    C    -3.24742   0.90078    0.41636   
 H4231    H    -3.27023   0.81246    0.49252   
 H4232    H    -3.22227   0.82870    0.40870   
 H4233    H    -3.22321   0.85765    0.44584   
 H4234    H    -3.27124   0.84124    0.53082   
 H4235    H    -3.27015   0.95145    0.26761   
 H4236    H    -3.22271   0.91601    0.26571   
 H4237    H    -3.22266   0.91515    0.35256   
 H4238    H    -3.27031   0.95088    0.35458   
 H4239    H    -3.26897   0.86427    0.73312   
 H4240    H    -3.22164   0.89987    0.73437   
 H4241    H    -3.22349   0.90251    0.64789   
 H4242    H    -3.27096   0.86654    0.64660   
 H4243    H    -3.26890   1.00473    0.50399   
 H4244    H    -3.22120   0.98833    0.58846   
 H4245    H    -3.22220   0.95943    0.55129   
 H4246    H    -3.27009   0.97592    0.46597   
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 H4248    H    -3.25065   0.87336    0.42348   
 H4249    H    -3.25070   0.94329    0.57655   
 H4250    H    -3.24790   0.85669    0.58442   
 H4251    H    -3.25063   0.89968    0.38045   
 H4252    H    -3.25071   0.91697    0.61958   
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 O4255    O    -3.25952   0.94298    0.18961   
 O4256    O    -3.23489   0.92385    0.18820   
 O4257    O    -3.25919   1.02555    0.56169   
 O4258    O    -3.25807   0.87219    0.81063   
 O4259    O    -3.23163   0.88930    0.81251   
 O4260    O    -3.23210   1.01889    0.60178   
 H4261    H    -3.29985   0.75230    0.35749   
 O4262    O    -3.28604   0.75170    0.35391   
 H4263    H    -3.77152   0.77133    0.44307   
 O4264    O    -3.76600   0.76557    0.41632   
 H4265    H    -3.20387   1.02902    0.59131   
 H4266    H    -3.19951   1.04906    0.59497   
 H4267    H    -3.20036   1.06594    0.53500   
 O4268    O    -3.20065   1.06758    0.56843   
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 H4270    H    -3.52834   1.01854    0.43649   
 O4271    O    -3.52004   1.01324    0.41354   
 H4272    H    -3.47180   0.96801    0.40049   
 O4273    O    -3.47986   0.97661    0.38587   
 H4274    H    -3.48645   0.80642    0.49320   
 H4275    H    -3.49976   0.79354    0.52176   
 H4276    H    -3.48944   0.76908    0.54766   
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 H4280    H    -3.49966   1.02317    0.47822   
 H4281    H    -3.48638   1.01031    0.50677   
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 H4285    H    -3.51082   0.85431    0.52100   
 H4286    H    -3.51349   0.87454    0.62188   
 O4287    O    -3.49983   0.85181    0.54051   
 O4288    O    -3.50071   0.86967    0.61884   
 H4289    H    -3.52846   0.79811    0.56352   
 O4290    O    -3.52016   0.80342    0.58640   
 H4291    H    -3.47186   0.84872    0.59942   
 O4292    O    -3.47993   0.84012    0.61404   
 H4293    H    -3.51342   0.94215    0.37809   
 H4294    H    -3.51074   0.96240    0.47895   
 H4295    H    -3.50024   0.95277    0.41305   
 O4296    O    -3.50063   0.94702    0.38116   
 O4297    O    -3.49974   0.96490    0.45946   
 Zr4298   Zr   -3.73193   1.05207    0.58473   
 Zr4299   Zr   -3.26824   1.05206    0.58469   
 Zr4300   Zr   -3.53616   1.00000    0.35013   
 Zr4301   Zr   -3.50046   0.82608    0.56467   
 Zr4302   Zr   -3.50039   0.99061    0.43528   
 O4303    O    -3.72400   1.06484    0.64542   
 O4304    O    -3.25704   0.77271    0.35172   
 O4305    O    -3.23931   1.05501    0.60121   
 O4306    O    -3.74167   0.77237    0.35019   
 O4307    O    -3.48477   0.80742    0.60470   
 O4308    O    -3.51544   0.83339    0.62456   
 O4309    O    -3.51537   0.98326    0.37541   
 O4310    O    -3.48466   1.00931    0.39520   
 C4311    C    -3.32246   0.62239    0.70953   
 C4312    C    -3.31632   0.61678    0.66524   
 C4313    C    -3.32545   0.62339    0.62522   
 C4314    C    -3.34008   0.63561    0.62943   
 C4315    C    -3.34599   0.64165    0.67368   
 C4316    C    -3.33709   0.63458    0.71363   
 C4317    C    -3.32184   0.74305    0.51140   
 C4318    C    -3.31617   0.73120    0.47691   
 C4319    C    -3.32539   0.71509    0.47468   
 C4320    C    -3.33965   0.71078    0.50699   
 C4321    C    -3.34518   0.72246    0.54230   
 C4322    C    -3.33620   0.73876    0.54345   
 C4323    C    -3.30047   0.73588    0.44354   
 C4324    C    -3.30016   0.60425    0.66056   
 C4325    C    -3.41819   0.76906    0.62282   
 C4326    C    -3.43751   0.76405    0.61713   
 C4327    C    -3.44181   0.74651    0.61084   
 C4328    C    -3.42712   0.73422    0.61087   
 C4329    C    -3.40768   0.73911    0.61672   
 C4330    C    -3.40352   0.75679    0.62242   
 C4331    C    -3.41827   0.64666    0.82223   
 C4332    C    -3.43760   0.64755    0.80772   
 C4333    C    -3.44166   0.65302    0.76191   
 C4334    C    -3.42682   0.65794    0.73191   
 C4335    C    -3.40740   0.65747    0.74651   
 C4336    C    -3.40342   0.65147    0.79205   
 C4337    C    -3.45318   0.77717    0.62023   
 C4338    C    -3.45331   0.64309    0.84141   
 C4339    C    -3.36126   0.71848    0.57086   
 C4340    C    -3.36226   0.70230    0.59615   
 C4341    C    -3.34701   0.69089    0.59676   
 C4342    C    -3.37639   0.73042    0.58004   
 C4343    C    -3.37777   0.69811    0.62613   
 C4344    C    -3.39277   0.66174    0.71506   
 C4345    C    -3.39261   0.67724    0.68671   
 C4346    C    -3.40576   0.69033    0.69365   
 C4347    C    -3.37643   0.65077    0.71024   
 C4348    C    -3.37778   0.68088    0.65430   
 C4349    C    -3.36129   0.65335    0.67734   
 C4350    C    -3.36228   0.66915    0.65035   
 C4351    C    -3.34702   0.67468    0.62326   
 C4352    C    -3.39274   0.72687    0.60858   
 C4353    C    -3.39260   0.71039    0.63251   
 C4354    C    -3.40575   0.70654    0.66715   
 H4355    H    -3.31542   0.61710    0.74036   
 H4356    H    -3.32087   0.61883    0.59107   
 H4357    H    -3.34694   0.64067    0.59803   
 H4358    H    -3.34158   0.63883    0.74823   
 H4359    H    -3.31473   0.75554    0.51265   
 H4360    H    -3.32120   0.70609    0.44739   
 H4361    H    -3.34657   0.69821    0.50485   
 H4362    H    -3.34036   0.74805    0.57009   
 H4363    H    -3.41498   0.78265    0.62791   
 H4364    H    -3.45680   0.74266    0.60691   
 H4365    H    -3.43075   0.72066    0.60637   
 H4366    H    -3.38865   0.76093    0.62694   
 H4367    H    -3.41519   0.64231    0.85758   
 H4368    H    -3.45664   0.65372    0.75067   
 H4369    H    -3.43030   0.66237    0.69678   
 H4370    H    -3.38856   0.65077    0.80410   
 H4371    H    -3.37615   0.74241    0.56157   
 H4372    H    -3.41569   0.68964    0.72155   
 H4373    H    -3.33387   0.69416    0.58047   
 H4374    H    -3.37620   0.63915    0.73038   
 H4375    H    -3.41568   0.71596    0.67852   
 H4376    H    -3.33388   0.66784    0.62349   
 O4377    O    -3.29502   0.60000    0.61941   
 O4378    O    -3.29271   0.59875    0.69831   
 O4379    O    -3.29361   0.75103    0.44700   
 O4380    O    -3.29510   0.72450    0.41422   
 O4381    O    -3.44811   0.64003    0.88328   
 O4382    O    -3.44809   0.79248    0.63024   
 O4383    O    -3.47043   0.77211    0.61366   
 O4384    O    -3.47057   0.64299    0.82655   
 C4385    C    -3.67832   0.62270    0.70848   
 C4386    C    -3.68399   0.61692    0.66399   
 C4387    C    -3.67478   0.62372    0.62436   
 C4388    C    -3.66051   0.63628    0.62899   
 C4389    C    -3.65495   0.64238    0.67349   
 C4390    C    -3.66397   0.63516    0.71313   
 C4391    C    -3.67759   0.74357    0.51156   
 C4392    C    -3.68375   0.73169    0.47761   
 C4393    C    -3.67461   0.71557    0.47474   
 C4394    C    -3.65994   0.71126    0.50591   
 C4395    C    -3.65400   0.72292    0.54096   
 C4396    C    -3.66291   0.73923    0.54266   
 C4397    C    -3.69994   0.73597    0.44540   
 C4398    C    -3.69966   0.60381    0.65967   
 C4399    C    -3.58191   0.76862    0.62736   
 C4400    C    -3.56259   0.76349    0.62278   
 C4401    C    -3.55846   0.74603    0.61446   
 C4402    C    -3.57329   0.73392    0.61186   
 C4403    C    -3.59273   0.73892    0.61726   
 C4404    C    -3.59673   0.75654    0.62443   
 C4405    C    -3.58251   0.64766    0.82385   
 C4406    C    -3.56311   0.64894    0.81018   
 C4407    C    -3.55872   0.65426    0.76446   
 C4408    C    -3.57343   0.65860    0.73345   
 C4409    C    -3.59295   0.65779    0.74717   
 C4410    C    -3.59719   0.65198    0.79271   
 C4411    C    -3.54730   0.64498    0.84384   
 C4412    C    -3.54686   0.77656    0.62693   
 C4413    C    -3.60743   0.72687    0.60858   
 C4414    C    -3.60758   0.71040    0.63254   
 C4415    C    -3.59445   0.70654    0.66716   
 C4416    C    -3.62375   0.73042    0.58005   
 C4417    C    -3.62240   0.69811    0.62612   
 C4418    C    -3.63891   0.65335    0.67734   
 C4419    C    -3.63792   0.66915    0.65037   
 C4420    C    -3.65314   0.67468    0.62328   
 C4421    C    -3.62380   0.65077    0.71023   
 C4422    C    -3.62240   0.68088    0.65430   
 C4423    C    -3.60746   0.66174    0.71506   
 C4424    C    -3.60759   0.67724    0.68674   
 C4425    C    -3.59446   0.69033    0.69366   
 C4426    C    -3.63888   0.71848    0.57086   
 C4427    C    -3.63790   0.70231    0.59617   
 C4428    C    -3.65313   0.69089    0.59678   
 H4429    H    -3.68542   0.61728    0.73902   
 H4430    H    -3.67897   0.61901    0.58998   
 H4431    H    -3.65360   0.64145    0.59785   
 H4432    H    -3.65981   0.63951    0.74789   
 H4433    H    -3.68464   0.75606    0.51325   
 H4434    H    -3.67924   0.70653    0.44795   
 H4435    H    -3.65309   0.69869    0.50340   
 H4436    H    -3.65841   0.74855    0.56897   
 H4437    H    -3.58500   0.78219    0.63345   
 H4438    H    -3.54350   0.74212    0.61010   
 H4439    H    -3.56981   0.72044    0.60561   
 H4440    H    -3.61161   0.76077    0.62826   
 H4441    H    -3.58576   0.64339    0.85917   
 H4442    H    -3.54369   0.65498    0.75386   
 H4443    H    -3.56979   0.66279    0.69823   
 H4444    H    -3.61215   0.65102    0.80400   
 H4445    H    -3.62397   0.74241    0.56157   
 H4446    H    -3.66628   0.66784    0.62350   
 H4447    H    -3.58453   0.71596    0.67852   
 H4448    H    -3.62402   0.63915    0.73039   
 H4449    H    -3.66627   0.69416    0.58048   
 H4450    H    -3.58454   0.68964    0.72154   
 O4451    O    -3.70498   0.59949    0.61874   
 O4452    O    -3.70649   0.59784    0.69764   
 O4453    O    -3.70742   0.75084    0.44983   
 O4454    O    -3.70511   0.72452    0.41607   
 O4455    O    -3.52952   0.77129    0.62469   
 O4456    O    -3.55210   0.79217    0.63227   
 O4457    O    -3.55238   0.64013    0.88445   
 O4458    O    -3.53003   0.64674    0.82958   
 H4459    H    -3.25452   0.70399    0.41881   
 H4460    H    -3.23482   0.71115    0.47368   
 H4461    H    -3.27711   0.70291    0.42669   
 O4462    O    -3.23403   0.71051    0.44005   
 O4463    O    -3.26735   0.70176    0.40269   
 H4464    H    -3.22852   0.77037    0.44473   
 O4465    O    -3.23403   0.76431    0.41850   
 H4466    H    -3.23640   0.62443    0.62159   
 H4467    H    -3.27602   0.61402    0.56503   
 H4468    H    -3.24580   0.61280    0.58212   
 O4469    O    -3.23337   0.61534    0.59958   
 O4470    O    -3.26581   0.60587    0.55908   
 H4471    H    -3.75428   0.70633    0.42933   
 H4472    H    -3.72406   0.70018    0.42432   
 H4473    H    -3.76371   0.71378    0.47557   
 O4474    O    -3.73427   0.70205    0.40201   
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 H4476    H    -3.70015   0.75136    0.35923   
 O4477    O    -3.71395   0.75044    0.35614   
 H4478    H    -3.72300   0.61356    0.57273   
 H4479    H    -3.76531   0.62500    0.61442   
 H4480    H    -3.74558   0.61047    0.57163   
 O4481    O    -3.73277   0.60627    0.55880   
 O4482    O    -3.76610   0.61434    0.59719   
 Zr4483   Zr   -3.26809   0.76445    0.41514   
 Zr4484   Zr   -3.22886   0.73504    0.41047   
 Zr4485   Zr   -3.27161   0.58187    0.59098   
 Zr4486   Zr   -3.73193   0.76446    0.41518   
 Zr4487   Zr   -3.72847   0.72366    0.35929   
 Zr4488   Zr   -3.77125   0.59325    0.64218   
 Zr4489   Zr   -3.49968   0.78523    0.62426   
 O4490    O    -3.25832   0.73956    0.40381   
 O4491    O    -3.74296   0.73990    0.40535   
 H4492    H    0.18962    -1.25789   0.42663   
 H4493    H    0.19907    -1.23273   0.40396   
 H4494    H    0.19013    -1.22334   0.35978   
 O4495    O    0.19999    -1.22205   0.38348   
 O4496    O    0.20078    -1.25082   0.43253   
 H4497    H    -0.31038   -0.75789   0.42663   
 H4498    H    -0.30093   -0.73273   0.40396   
 H4499    H    -0.30987   -0.72334   0.35978   
 O4500    O    -0.30001   -0.72205   0.38348   
 O4501    O    -0.29922   -0.75082   0.43253   
 C4502    C    -0.67702   -0.92705   0.49128   
 C4503    C    -0.68243   -0.91545   0.52662   
 C4504    C    -0.67389   -0.89904   0.52778   
 C4505    C    -0.66039   -0.89426   0.49402   
 C4506    C    -0.65489   -0.90579   0.45830   
 C4507    C    -0.66341   -0.92231   0.45781   
 C4508    C    -0.67676   -0.80470   0.29164   
 C4509    C    -0.68243   -0.79892   0.33614   
 C4510    C    -0.67320   -0.80577   0.37574   
 C4511    C    -0.65907   -0.81841   0.37105   
 C4512    C    -0.65357   -0.82457   0.32656   
 C4513    C    -0.66251   -0.81725   0.28699   
 C4514    C    -0.69780   -0.92030   0.56066   
 C4515    C    -0.69836   -0.78603   0.34032   
 C4516    C    -0.58226   -0.83118   0.17610   
 C4517    C    -0.56284   -0.83237   0.18978   
 C4518    C    -0.55849   -0.83771   0.23553   
 C4519    C    -0.57321   -0.84211   0.26648   
 C4520    C    -0.59272   -0.84138   0.25268   
 C4521    C    -0.59694   -0.83556   0.20713   
 C4522    C    -0.58177   -0.95213   0.37293   
 C4523    C    -0.56246   -0.94694   0.37747   
 C4524    C    -0.55834   -0.92947   0.38580   
 C4525    C    -0.57318   -0.91740   0.38840   
 C4526    C    -0.59260   -0.92244   0.38295   
 C4527    C    -0.59660   -0.94007   0.37583   
 C4528    C    -0.54673   -0.95998   0.37321   
 C4529    C    -0.54704   -0.82835   0.15618   
 C4530    C    -0.63880   -0.83670   0.32268   
 C4531    C    -0.63781   -0.85250   0.34967   
 C4532    C    -0.65307   -0.85803   0.37676   
 C4533    C    -0.62366   -0.83412   0.28978   
 C4534    C    -0.62231   -0.86424   0.34573   
 C4535    C    -0.60736   -0.91022   0.39144   
 C4536    C    -0.60750   -0.89374   0.36751   
 C4537    C    -0.59434   -0.88989   0.33287   
 C4538    C    -0.62370   -0.91377   0.41998   
 C4539    C    -0.62232   -0.88147   0.37389   
 C4540    C    -0.63884   -0.90184   0.42916   
 C4541    C    -0.63783   -0.88566   0.40387   
 C4542    C    -0.65308   -0.87424   0.40327   
 C4543    C    -0.60732   -0.84509   0.28496   
 C4544    C    -0.60748   -0.86059   0.31331   
 C4545    C    -0.59433   -0.87368   0.30637   
 H4546    H    -0.68375   -0.93969   0.49042   
 H4547    H    -0.67827   -0.89003   0.55495   
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 H4549    H    -0.65941   -0.93147   0.43068   
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 H4552    H    -0.65229   -0.82371   0.40224   
 H4553    H    -0.65839   -0.82162   0.25218   
 H4554    H    -0.58551   -0.82690   0.14074   
 H4555    H    -0.54347   -0.83837   0.24620   
 H4556    H    -0.56958   -0.84632   0.30173   
 H4557    H    -0.61190   -0.83463   0.19583   
 H4558    H    -0.58484   -0.96570   0.36682   
 H4559    H    -0.54338   -0.92557   0.39015   
 H4560    H    -0.56970   -0.90392   0.39464   
 H4561    H    -0.61149   -0.94428   0.37198   
 H4562    H    -0.62389   -0.82250   0.26964   
 H4563    H    -0.58441   -0.89931   0.32150   
 H4564    H    -0.66621   -0.85119   0.37653   
 H4565    H    -0.62394   -0.92576   0.43845   
 H4566    H    -0.58440   -0.87299   0.27847   
 H4567    H    -0.66622   -0.87751   0.41956   
 O4568    O    -0.70703   -0.78206   0.30260   
 O4569    O    -0.70596   -0.93479   0.55435   
 O4570    O    -0.70189   -0.90955   0.59282   
 O4571    O    -0.70241   -0.78026   0.38073   
 O4572    O    -0.52977   -0.83007   0.17048   
 O4573    O    -0.55210   -0.82350   0.11555   
 O4574    O    -0.55195   -0.97557   0.36778   
 O4575    O    -0.52939   -0.95466   0.37535   
 C4576    C    -0.32315   -0.92689   0.49115   
 C4577    C    -0.31746   -0.91512   0.52586   
 C4578    C    -0.32661   -0.89898   0.52793   
 C4579    C    -0.34072   -0.89454   0.49541   
 C4580    C    -0.34624   -0.90615   0.45981   
 C4581    C    -0.33733   -0.92247   0.45882   
 C4582    C    -0.32328   -0.80463   0.29092   
 C4583    C    -0.31784   -0.79858   0.33532   
 C4584    C    -0.32651   -0.80585   0.37511   
 C4585    C    -0.34003   -0.81906   0.37060   
 C4586    C    -0.34547   -0.82532   0.32624   
 C4587    C    -0.33690   -0.81774   0.28649   
 C4588    C    -0.30162   -0.91985   0.55889   
 C4589    C    -0.30239   -0.78528   0.33971   
 C4590    C    -0.41810   -0.83011   0.17764   
 C4591    C    -0.43745   -0.83096   0.19205   
 C4592    C    -0.44159   -0.83648   0.23774   
 C4593    C    -0.42681   -0.84145   0.26788   
 C4594    C    -0.40736   -0.84098   0.25340   
 C4595    C    -0.40333   -0.83498   0.20793   
 C4596    C    -0.41795   -0.95238   0.37782   
 C4597    C    -0.43727   -0.94733   0.38337   
 C4598    C    -0.44149   -0.92977   0.38984   
 C4599    C    -0.42675   -0.91753   0.38996   
 C4600    C    -0.40731   -0.92245   0.38405   
 C4601    C    -0.40324   -0.94014   0.37833   
 C4602    C    -0.45308   -0.82638   0.15833   
 C4603    C    -0.45300   -0.96043   0.37988   
 C4604    C    -0.39263   -0.84509   0.28496   
 C4605    C    -0.39250   -0.86059   0.31328   
 C4606    C    -0.40563   -0.87368   0.30636   
 C4607    C    -0.37630   -0.83413   0.28977   
 C4608    C    -0.37768   -0.86423   0.34574   
 C4609    C    -0.36122   -0.90184   0.42916   
 C4610    C    -0.36219   -0.88566   0.40385   
 C4611    C    -0.34696   -0.87424   0.40325   
 C4612    C    -0.37633   -0.91377   0.41999   
 C4613    C    -0.37770   -0.88147   0.37389   
 C4614    C    -0.39267   -0.91022   0.39144   
 C4615    C    -0.39251   -0.89375   0.36748   
 C4616    C    -0.40564   -0.88990   0.33286   
 C4617    C    -0.36118   -0.83670   0.32268   
 C4618    C    -0.36217   -0.85251   0.34965   
 C4619    C    -0.34695   -0.85803   0.37675   
 H4620    H    -0.31610   -0.93941   0.48980   
 H4621    H    -0.32215   -0.88987   0.55484   
 H4622    H    -0.34745   -0.88188   0.49733   
 H4623    H    -0.34147   -0.93174   0.43204   
 H4624    H    -0.31650   -0.79900   0.26026   
 H4625    H    -0.32216   -0.80124   0.40947   
 H4626    H    -0.34640   -0.82464   0.40193   
 H4627    H    -0.34088   -0.82228   0.25179   
 H4628    H    -0.41495   -0.82575   0.14233   
 H4629    H    -0.45658   -0.83715   0.24879   
 H4630    H    -0.43037   -0.84589   0.30293   
 H4631    H    -0.38842   -0.83432   0.19600   
 H4632    H    -0.41478   -0.96597   0.37270   
 H4633    H    -0.45645   -0.92588   0.39374   
 H4634    H    -0.43034   -0.90398   0.39450   
 H4635    H    -0.38835   -0.94431   0.37389   
 H4636    H    -0.33382   -0.87751   0.41955   
 H4637    H    -0.37607   -0.82250   0.26964   
 H4638    H    -0.37612   -0.92577   0.43845   
 H4639    H    -0.41555   -0.87299   0.27848   
 H4640    H    -0.33381   -0.85119   0.37652   
 H4641    H    -0.41556   -0.89931   0.32151   
 O4642    O    -0.29413   -0.78061   0.30205   
 O4643    O    -0.29761   -0.90938   0.59167   
 O4644    O    -0.29300   -0.93404   0.55091   
 O4645    O    -0.29828   -0.77986   0.38052   
 O4646    O    -0.44794   -0.97573   0.36970   
 O4647    O    -0.47035   -0.82625   0.17321   
 O4648    O    -0.44786   -0.82327   0.11651   
 O4649    O    -0.47024   -0.95534   0.38633   
 H4650    H    -0.73536   -0.91280   0.54810   
 O4651    O    -0.73923   -0.91822   0.57700   
 H4652    H    -0.69016   -0.75935   0.41878   
 H4653    H    -0.69911   -0.74054   0.41691   
 H4654    H    -0.68963   -0.72136   0.36728   
 O4655    O    -0.70082   -0.72278   0.38692   
 O4656    O    -0.70001   -0.75221   0.43288   
 H4657    H    -0.79975   -0.97057   0.59446   
 H4658    H    -0.80067   -0.94314   0.58199   
 H4659    H    -0.79632   -0.93498   0.53231   
 O4660    O    -0.79927   -0.93185   0.56425   
 O4661    O    -0.79950   -0.96046   0.61402   
 H4662    H    -0.73650   -0.79319   0.35061   
 O4663    O    -0.74070   -0.78132   0.35067   
 H4664    H    -0.26357   -0.91313   0.54662   
 O4665    O    -0.25939   -0.91864   0.57513   
 H4666    H    -0.26471   -0.79288   0.35199   
 O4667    O    -0.26084   -0.78092   0.35249   
 Zr4668   Zr   -0.72633   -0.90837   0.64655   
 Zr4669   Zr   -0.77333   -0.77538   0.35203   
 Zr4670   Zr   -0.22674   -0.92092   0.59009   
 Zr4671   Zr   -0.27377   -0.76283   0.40848   
 Zr4672   Zr   -0.49955   -0.96852   0.37567   
 Zr4673   Zr   -0.46371   -0.99993   0.35006   
 O4674    O    -0.76084   -0.94388   0.59934   
 O4675    O    -0.27619   -0.93406   0.64351   
 C4676    C    -0.74139   -1.12738   0.71385   
 C4677    C    -0.75506   -1.11773   0.73898   
 C4678    C    -0.76834   -1.10757   0.71415   
 C4679    C    -0.76767   -1.10672   0.66550   
 C4680    C    -0.75373   -1.11608   0.64001   
 C4681    C    -0.74081   -1.12658   0.66519   
 C4682    C    -0.74132   -1.00517   0.51337   
 C4683    C    -0.75521   -1.00136   0.54765   
 C4684    C    -0.76807   -1.01437   0.56163   
 C4685    C    -0.76687   -1.03086   0.54241   
 C4686    C    -0.75287   -1.03485   0.50827   
 C4687    C    -0.74024   -1.02161   0.49396   
 C4688    C    -0.75487   -1.11819   0.79122   
 C4689    C    -0.75546   -0.98402   0.57024   
 C4690    C    -0.74004   -1.17761   0.48469   
 C4691    C    -0.75333   -1.18131   0.44899   
 C4692    C    -0.76682   -1.16866   0.43608   
 C4693    C    -0.76673   -1.15257   0.45774   
 C4694    C    -0.75314   -1.14858   0.49279   
 C4695    C    -0.74002   -1.16152   0.50630   
 C4696    C    -0.73997   -1.05709   0.28590   
 C4697    C    -0.75361   -1.06682   0.26094   
 C4698    C    -0.76696   -1.07691   0.28579   
 C4699    C    -0.76638   -1.07759   0.33445   
 C4700    C    -0.75248   -1.06812   0.35978   
 C4701    C    -0.73950   -1.05768   0.33458   
 C4702    C    -0.75363   -1.06633   0.20874   
 C4703    C    -0.75296   -1.19826   0.42444   
 C4704    C    -0.75386   -1.06749   0.40905   
 C4705    C    -0.75471   -1.08318   0.43657   
 C4706    C    -0.75262   -1.09922   0.41637   
 C4707    C    -0.75267   -1.05186   0.43490   
 C4708    C    -0.75542   -1.08306   0.48593   
 C4709    C    -0.75392   -1.11586   0.59098   
 C4710    C    -0.75476   -1.10017   0.56348   
 C4711    C    -0.75267   -1.08413   0.58366   
 C4712    C    -0.75269   -1.13150   0.56512   
 C4713    C    -0.75543   -1.10029   0.51409   
 C4714    C    -0.75389   -1.13263   0.51553   
 C4715    C    -0.75473   -1.11633   0.49077   
 C4716    C    -0.75263   -1.11543   0.44287   
 C4717    C    -0.75389   -1.05072   0.48449   
 C4718    C    -0.75474   -1.06701   0.50928   
 C4719    C    -0.75267   -1.06792   0.55716   
 H4720    H    -0.73120   -1.13529   0.73316   
 H4721    H    -0.77889   -1.10010   0.73372   
 H4722    H    -0.77793   -1.09859   0.64704   
 H4723    H    -0.73005   -1.13409   0.64635   
 H4724    H    -0.73136   -0.99507   0.50279   
 H4725    H    -0.77872   -1.01144   0.58843   
 H4726    H    -0.77683   -1.04080   0.55412   
 H4727    H    -0.72934   -1.02431   0.46752   
 H4728    H    -0.72973   -1.18752   0.49472   
 H4729    H    -0.77726   -1.17166   0.40895   
 H4730    H    -0.77723   -1.14288   0.44714   
 H4731    H    -0.72953   -1.15885   0.53377   
 H4732    H    -0.72978   -1.04921   0.26643   
 H4733    H    -0.77772   -1.08417   0.26632   
 H4734    H    -0.77677   -1.08554   0.35307   
 H4735    H    -0.72877   -1.05014   0.35338   
 H4736    H    -0.74946   -1.08303   0.61957   
 H4737    H    -0.75220   -1.04004   0.41560   
 H4738    H    -0.75225   -1.14331   0.58442   
 H4739    H    -0.74938   -1.10032   0.38045   
 H4740    H    -0.74945   -1.05671   0.57655   
 H4741    H    -0.74939   -1.12664   0.42347   
 O4742    O    -0.74216   -0.97360   0.55843   
 O4743    O    -0.76813   -1.11020   0.81288   
 O4744    O    -0.74102   -1.12639   0.81018   
 O4745    O    -0.76860   -0.98100   0.60023   
 O4746    O    -0.76509   -1.20064   0.39169   
 O4747    O    -0.74043   -1.20908   0.43823   
 O4748    O    -0.74157   -1.05621   0.18958   
 O4749    O    -0.76561   -1.07594   0.18735   
 C4750    C    -0.26004   -1.17751   0.48268   
 C4751    C    -0.24639   -1.18115   0.44779   
 C4752    C    -0.23304   -1.16835   0.43518   
 C4753    C    -0.23361   -1.15214   0.45622   
 C4754    C    -0.24749   -1.14826   0.49073   
 C4755    C    -0.26052   -1.16135   0.50395   
 C4756    C    -0.25985   -1.05642   0.28673   
 C4757    C    -0.24661   -1.06641   0.26127   
 C4758    C    -0.23311   -1.07649   0.28558   
 C4759    C    -0.23316   -1.07690   0.33428   
 C4760    C    -0.24672   -1.06728   0.36016   
 C4761    C    -0.25986   -1.05685   0.33543   
 C4762    C    -0.24701   -1.06656   0.20916   
 C4763    C    -0.24634   -1.19843   0.42473   
 C4764    C    -0.25901   -1.12752   0.71400   
 C4765    C    -0.24512   -1.11819   0.73915   
 C4766    C    -0.23228   -1.10748   0.71472   
 C4767    C    -0.23347   -1.10598   0.66618   
 C4768    C    -0.24741   -1.11526   0.64057   
 C4769    C    -0.26008   -1.12613   0.66548   
 C4770    C    -0.25873   -1.00529   0.51386   
 C4771    C    -0.24508   -1.00164   0.54878   
 C4772    C    -0.23178   -1.01449   0.56138   
 C4773    C    -0.23248   -1.03072   0.54052   
 C4774    C    -0.24640   -1.03464   0.50615   
 C4775    C    -0.25933   -1.02149   0.49279   
 C4776    C    -0.24480   -1.11903   0.79125   
 C4777    C    -0.24531   -0.98444   0.57235   
 C4778    C    -0.24620   -1.05072   0.48449   
 C4779    C    -0.24536   -1.06702   0.50926   
 C4780    C    -0.24746   -1.06792   0.55715   
 C4781    C    -0.24739   -1.05185   0.43492   
 C4782    C    -0.24466   -1.08306   0.48593   
 C4783    C    -0.24620   -1.13263   0.51553   
 C4784    C    -0.24535   -1.11634   0.49074   
 C4785    C    -0.24743   -1.11544   0.44286   
 C4786    C    -0.24744   -1.13150   0.56510   
 C4787    C    -0.24467   -1.10029   0.51410   
 C4788    C    -0.24623   -1.11586   0.59097   
 C4789    C    -0.24538   -1.10017   0.56346   
 C4790    C    -0.24747   -1.08413   0.58366   
 C4791    C    -0.24617   -1.06750   0.40905   
 C4792    C    -0.24534   -1.08319   0.43654   
 C4793    C    -0.24742   -1.09922   0.41636   
 H4794    H    -0.27023   -1.18754   0.49252   
 H4795    H    -0.22227   -1.17130   0.40870   
 H4796    H    -0.22321   -1.14235   0.44584   
 H4797    H    -0.27124   -1.15876   0.53082   
 H4798    H    -0.27015   -1.04855   0.26761   
 H4799    H    -0.22271   -1.08399   0.26571   
 H4800    H    -0.22266   -1.08485   0.35256   
 H4801    H    -0.27031   -1.04912   0.35458   
 H4802    H    -0.26897   -1.13573   0.73312   
 H4803    H    -0.22164   -1.10013   0.73437   
 H4804    H    -0.22349   -1.09749   0.64789   
 H4805    H    -0.27096   -1.13346   0.64660   
 H4806    H    -0.26890   -0.99527   0.50399   
 H4807    H    -0.22120   -1.01167   0.58846   
 H4808    H    -0.22220   -1.04057   0.55129   
 H4809    H    -0.27009   -1.02408   0.46597   
 H4810    H    -0.24785   -1.04004   0.41561   
 H4811    H    -0.25065   -1.12664   0.42348   
 H4812    H    -0.25070   -1.05671   0.57655   
 H4813    H    -0.24790   -1.14331   0.58442   
 H4814    H    -0.25063   -1.10032   0.38045   
 H4815    H    -0.25071   -1.08303   0.61958   
 O4816    O    -0.23432   -1.20097   0.39182   
 O4817    O    -0.25840   -1.20943   0.44009   
 O4818    O    -0.25952   -1.05702   0.18961   
 O4819    O    -0.23489   -1.07615   0.18820   
 O4820    O    -0.25919   -0.97445   0.56169   
 O4821    O    -0.25807   -1.12781   0.81063   
 O4822    O    -0.23163   -1.11070   0.81251   
 O4823    O    -0.23210   -0.98111   0.60178   
 H4824    H    -0.29985   -1.24770   0.35749   
 O4825    O    -0.28604   -1.24830   0.35391   
 H4826    H    -0.77152   -1.22867   0.44307   
 O4827    O    -0.76600   -1.23443   0.41632   
 H4828    H    -0.20387   -0.97098   0.59131   
 H4829    H    -0.19951   -0.95094   0.59497   
 H4830    H    -0.20036   -0.93406   0.53500   
 O4831    O    -0.20065   -0.93242   0.56843   
 O4832    O    -0.20091   -0.96201   0.61371   
 H4833    H    -0.52834   -0.98146   0.43649   
 O4834    O    -0.52004   -0.98676   0.41354   
 H4835    H    -0.47180   -1.03199   0.40049   
 O4836    O    -0.47986   -1.02339   0.38587   
 H4837    H    -0.48645   -1.19358   0.49320   
 H4838    H    -0.49976   -1.20646   0.52176   
 H4839    H    -0.48944   -1.23092   0.54766   
 O4840    O    -0.50034   -1.22361   0.55448   
 O4841    O    -0.49926   -1.19467   0.50627   
 H4842    H    -0.48928   -0.95241   0.45223   
 H4843    H    -0.49966   -0.97683   0.47822   
 H4844    H    -0.48638   -0.98969   0.50677   
 O4845    O    -0.49920   -0.98861   0.49372   
 O4846    O    -0.50020   -0.95968   0.44542   
 H4847    H    -0.50032   -1.13607   0.58692   
 H4848    H    -0.51082   -1.14569   0.52100   
 H4849    H    -0.51349   -1.12546   0.62188   
 O4850    O    -0.49983   -1.14819   0.54051   
 O4851    O    -0.50071   -1.13033   0.61884   
 H4852    H    -0.52846   -1.20189   0.56352   
 O4853    O    -0.52016   -1.19658   0.58640   
 H4854    H    -0.47186   -1.15128   0.59942   
 O4855    O    -0.47993   -1.15988   0.61404   
 H4856    H    -0.51342   -1.05785   0.37809   
 H4857    H    -0.51074   -1.03760   0.47895   
 H4858    H    -0.50024   -1.04723   0.41305   
 O4859    O    -0.50063   -1.05298   0.38116   
 O4860    O    -0.49974   -1.03510   0.45946   
 Zr4861   Zr   -0.73193   -0.94793   0.58473   
 Zr4862   Zr   -0.26824   -0.94794   0.58469   
 Zr4863   Zr   -0.53616   -1.00000   0.35013   
 Zr4864   Zr   -0.50046   -1.17392   0.56467   
 Zr4865   Zr   -0.50039   -1.00939   0.43528   
 O4866    O    -0.72400   -0.93516   0.64542   
 O4867    O    -0.25704   -1.22729   0.35172   
 O4868    O    -0.23931   -0.94499   0.60121   
 O4869    O    -0.74167   -1.22763   0.35019   
 O4870    O    -0.48477   -1.19258   0.60470   
 O4871    O    -0.51544   -1.16661   0.62456   
 O4872    O    -0.51537   -1.01674   0.37541   
 O4873    O    -0.48466   -0.99069   0.39520   
 H4874    H    -0.81038   -0.25789   0.42663   
 H4875    H    -0.80093   -0.23273   0.40396   
 H4876    H    -0.80987   -0.22334   0.35978   
 O4877    O    -0.80001   -0.22205   0.38348   
 O4878    O    -0.79922   -0.25082   0.43253   
 C4879    C    -1.17702   -0.42705   0.49128   
 C4880    C    -1.18243   -0.41545   0.52662   
 C4881    C    -1.17389   -0.39904   0.52778   
 C4882    C    -1.16039   -0.39426   0.49402   
 C4883    C    -1.15489   -0.40579   0.45830   
 C4884    C    -1.16341   -0.42231   0.45781   
 C4885    C    -1.17676   -0.30470   0.29164   
 C4886    C    -1.18243   -0.29892   0.33614   
 C4887    C    -1.17320   -0.30577   0.37574   
 C4888    C    -1.15907   -0.31841   0.37105   
 C4889    C    -1.15357   -0.32457   0.32656   
 C4890    C    -1.16251   -0.31725   0.28699   
 C4891    C    -1.19780   -0.42030   0.56066   
 C4892    C    -1.19836   -0.28603   0.34032   
 C4893    C    -1.08226   -0.33118   0.17610   
 C4894    C    -1.06284   -0.33237   0.18978   
 C4895    C    -1.05849   -0.33771   0.23553   
 C4896    C    -1.07321   -0.34211   0.26648   
 C4897    C    -1.09272   -0.34138   0.25268   
 C4898    C    -1.09694   -0.33556   0.20713   
 C4899    C    -1.08177   -0.45213   0.37293   
 C4900    C    -1.06246   -0.44694   0.37747   
 C4901    C    -1.05834   -0.42947   0.38580   
 C4902    C    -1.07318   -0.41740   0.38840   
 C4903    C    -1.09260   -0.42244   0.38295   
 C4904    C    -1.09660   -0.44007   0.37583   
 C4905    C    -1.04673   -0.45998   0.37321   
 C4906    C    -1.04704   -0.32835   0.15618   
 C4907    C    -1.13880   -0.33670   0.32268   
 C4908    C    -1.13781   -0.35250   0.34967   
 C4909    C    -1.15307   -0.35803   0.37676   
 C4910    C    -1.12366   -0.33412   0.28978   
 C4911    C    -1.12231   -0.36424   0.34573   
 C4912    C    -1.10736   -0.41022   0.39144   
 C4913    C    -1.10750   -0.39374   0.36751   
 C4914    C    -1.09434   -0.38989   0.33287   
 C4915    C    -1.12370   -0.41377   0.41998   
 C4916    C    -1.12232   -0.38147   0.37389   
 C4917    C    -1.13884   -0.40184   0.42916   
 C4918    C    -1.13783   -0.38566   0.40387   
 C4919    C    -1.15308   -0.37424   0.40327   
 C4920    C    -1.10732   -0.34509   0.28496   
 C4921    C    -1.10748   -0.36059   0.31331   
 C4922    C    -1.09433   -0.37368   0.30637   
 H4923    H    -1.18375   -0.43969   0.49042   
 H4924    H    -1.17827   -0.39003   0.55495   
 H4925    H    -1.15406   -0.38142   0.49528   
 H4926    H    -1.15941   -0.43147   0.43068   
 H4927    H    -1.18383   -0.29928   0.26111   
 H4928    H    -1.17762   -0.30130   0.41022   
 H4929    H    -1.15229   -0.32371   0.40224   
 H4930    H    -1.15839   -0.32162   0.25218   
 H4931    H    -1.08551   -0.32690   0.14074   
 H4932    H    -1.04347   -0.33837   0.24620   
 H4933    H    -1.06958   -0.34632   0.30173   
 H4934    H    -1.11190   -0.33463   0.19583   
 H4935    H    -1.08484   -0.46570   0.36682   
 H4936    H    -1.04338   -0.42557   0.39015   
 H4937    H    -1.06970   -0.40392   0.39464   
 H4938    H    -1.11149   -0.44428   0.37198   
 H4939    H    -1.12389   -0.32250   0.26964   
 H4940    H    -1.08441   -0.39931   0.32150   
 H4941    H    -1.16621   -0.35119   0.37653   
 H4942    H    -1.12394   -0.42576   0.43845   
 H4943    H    -1.08440   -0.37299   0.27847   
 H4944    H    -1.16622   -0.37751   0.41956   
 O4945    O    -1.20703   -0.28206   0.30260   
 O4946    O    -1.20596   -0.43479   0.55435   
 O4947    O    -1.20189   -0.40955   0.59282   
 O4948    O    -1.20241   -0.28026   0.38073   
 O4949    O    -1.02977   -0.33007   0.17048   
 O4950    O    -1.05210   -0.32350   0.11555   
 O4951    O    -1.05195   -0.47557   0.36778   
 O4952    O    -1.02939   -0.45466   0.37535   
 C4953    C    -0.82315   -0.42689   0.49115   
 C4954    C    -0.81746   -0.41512   0.52586   
 C4955    C    -0.82661   -0.39898   0.52793   
 C4956    C    -0.84072   -0.39454   0.49541   
 C4957    C    -0.84624   -0.40615   0.45981   
 C4958    C    -0.83733   -0.42247   0.45882   
 C4959    C    -0.82328   -0.30463   0.29092   
 C4960    C    -0.81784   -0.29858   0.33532   
 C4961    C    -0.82651   -0.30585   0.37511   
 C4962    C    -0.84003   -0.31906   0.37060   
 C4963    C    -0.84547   -0.32532   0.32624   
 C4964    C    -0.83690   -0.31774   0.28649   
 C4965    C    -0.80162   -0.41985   0.55889   
 C4966    C    -0.80239   -0.28528   0.33971   
 C4967    C    -0.91810   -0.33011   0.17764   
 C4968    C    -0.93745   -0.33096   0.19205   
 C4969    C    -0.94159   -0.33648   0.23774   
 C4970    C    -0.92681   -0.34145   0.26788   
 C4971    C    -0.90736   -0.34098   0.25340   
 C4972    C    -0.90333   -0.33498   0.20793   
 C4973    C    -0.91795   -0.45238   0.37782   
 C4974    C    -0.93727   -0.44733   0.38337   
 C4975    C    -0.94149   -0.42977   0.38984   
 C4976    C    -0.92675   -0.41753   0.38996   
 C4977    C    -0.90731   -0.42245   0.38405   
 C4978    C    -0.90324   -0.44014   0.37833   
 C4979    C    -0.95308   -0.32638   0.15833   
 C4980    C    -0.95300   -0.46043   0.37988   
 C4981    C    -0.89263   -0.34509   0.28496   
 C4982    C    -0.89250   -0.36059   0.31328   
 C4983    C    -0.90563   -0.37368   0.30636   
 C4984    C    -0.87630   -0.33413   0.28977   
 C4985    C    -0.87768   -0.36423   0.34574   
 C4986    C    -0.86122   -0.40184   0.42916   
 C4987    C    -0.86219   -0.38566   0.40385   
 C4988    C    -0.84696   -0.37424   0.40325   
 C4989    C    -0.87633   -0.41377   0.41999   
 C4990    C    -0.87770   -0.38147   0.37389   
 C4991    C    -0.89267   -0.41022   0.39144   
 C4992    C    -0.89251   -0.39375   0.36748   
 C4993    C    -0.90564   -0.38990   0.33286   
 C4994    C    -0.86118   -0.33670   0.32268   
 C4995    C    -0.86217   -0.35251   0.34965   
 C4996    C    -0.84695   -0.35803   0.37675   
 H4997    H    -0.81610   -0.43941   0.48980   
 H4998    H    -0.82215   -0.38987   0.55484   
 H4999    H    -0.84745   -0.38188   0.49733   
 H5000    H    -0.84147   -0.43174   0.43204   
 H5001    H    -0.81650   -0.29900   0.26026   
 H5002    H    -0.82216   -0.30124   0.40947   
 H5003    H    -0.84640   -0.32464   0.40193   
 H5004    H    -0.84088   -0.32228   0.25179   
 H5005    H    -0.91495   -0.32575   0.14233   
 H5006    H    -0.95658   -0.33715   0.24879   
 H5007    H    -0.93037   -0.34589   0.30293   
 H5008    H    -0.88842   -0.33432   0.19600   
 H5009    H    -0.91478   -0.46597   0.37270   
 H5010    H    -0.95645   -0.42588   0.39374   
 H5011    H    -0.93034   -0.40398   0.39450   
 H5012    H    -0.88835   -0.44431   0.37389   
 H5013    H    -0.83382   -0.37751   0.41955   
 H5014    H    -0.87607   -0.32250   0.26964   
 H5015    H    -0.87612   -0.42577   0.43845   
 H5016    H    -0.91555   -0.37299   0.27848   
 H5017    H    -0.83381   -0.35119   0.37652   
 H5018    H    -0.91556   -0.39931   0.32151   
 O5019    O    -0.79413   -0.28061   0.30205   
 O5020    O    -0.79761   -0.40938   0.59167   
 O5021    O    -0.79300   -0.43404   0.55091   
 O5022    O    -0.79828   -0.27986   0.38052   
 O5023    O    -0.94794   -0.47573   0.36970   
 O5024    O    -0.97035   -0.32625   0.17321   
 O5025    O    -0.94786   -0.32327   0.11651   
 O5026    O    -0.97024   -0.45534   0.38633   
 H5027    H    -1.23536   -0.41280   0.54810   
 O5028    O    -1.23923   -0.41822   0.57700   
 H5029    H    -1.19016   -0.25935   0.41878   
 H5030    H    -1.19911   -0.24054   0.41691   
 H5031    H    -1.18963   -0.22136   0.36728   
 O5032    O    -1.20082   -0.22278   0.38692   
 O5033    O    -1.20001   -0.25221   0.43288   
 H5034    H    -1.29975   -0.47057   0.59446   
 H5035    H    -1.30067   -0.44314   0.58199   
 H5036    H    -1.29632   -0.43498   0.53231   
 O5037    O    -1.29927   -0.43185   0.56425   
 O5038    O    -1.29950   -0.46046   0.61402   
 H5039    H    -1.23650   -0.29319   0.35061   
 O5040    O    -1.24070   -0.28132   0.35067   
 H5041    H    -0.76357   -0.41313   0.54662   
 O5042    O    -0.75939   -0.41864   0.57513   
 H5043    H    -0.76471   -0.29288   0.35199   
 O5044    O    -0.76084   -0.28092   0.35249   
 Zr5045   Zr   -1.22633   -0.40837   0.64655   
 Zr5046   Zr   -1.27333   -0.27538   0.35203   
 Zr5047   Zr   -0.72674   -0.42092   0.59009   
 Zr5048   Zr   -0.77377   -0.26283   0.40848   
 Zr5049   Zr   -0.99955   -0.46852   0.37567   
 Zr5050   Zr   -0.96371   -0.49993   0.35006   
 O5051    O    -1.26084   -0.44388   0.59934   
 O5052    O    -0.77619   -0.43406   0.64351   
 C5053    C    -1.24139   -0.62738   0.71385   
 C5054    C    -1.25506   -0.61773   0.73898   
 C5055    C    -1.26834   -0.60757   0.71415   
 C5056    C    -1.26767   -0.60672   0.66550   
 C5057    C    -1.25373   -0.61608   0.64001   
 C5058    C    -1.24081   -0.62658   0.66519   
 C5059    C    -1.24132   -0.50517   0.51337   
 C5060    C    -1.25521   -0.50136   0.54765   
 C5061    C    -1.26807   -0.51437   0.56163   
 C5062    C    -1.26687   -0.53086   0.54241   
 C5063    C    -1.25287   -0.53485   0.50827   
 C5064    C    -1.24024   -0.52161   0.49396   
 C5065    C    -1.25487   -0.61819   0.79122   
 C5066    C    -1.25546   -0.48402   0.57024   
 C5067    C    -1.24004   -0.67761   0.48469   
 C5068    C    -1.25333   -0.68131   0.44899   
 C5069    C    -1.26682   -0.66866   0.43608   
 C5070    C    -1.26673   -0.65257   0.45774   
 C5071    C    -1.25314   -0.64858   0.49279   
 C5072    C    -1.24002   -0.66152   0.50630   
 C5073    C    -1.23997   -0.55709   0.28590   
 C5074    C    -1.25361   -0.56682   0.26094   
 C5075    C    -1.26696   -0.57691   0.28579   
 C5076    C    -1.26638   -0.57759   0.33445   
 C5077    C    -1.25248   -0.56812   0.35978   
 C5078    C    -1.23950   -0.55768   0.33458   
 C5079    C    -1.25363   -0.56633   0.20874   
 C5080    C    -1.25296   -0.69826   0.42444   
 C5081    C    -1.25386   -0.56749   0.40905   
 C5082    C    -1.25471   -0.58318   0.43657   
 C5083    C    -1.25262   -0.59922   0.41637   
 C5084    C    -1.25267   -0.55186   0.43490   
 C5085    C    -1.25542   -0.58306   0.48593   
 C5086    C    -1.25392   -0.61586   0.59098   
 C5087    C    -1.25476   -0.60017   0.56348   
 C5088    C    -1.25267   -0.58413   0.58366   
 C5089    C    -1.25269   -0.63150   0.56512   
 C5090    C    -1.25543   -0.60029   0.51409   
 C5091    C    -1.25389   -0.63263   0.51553   
 C5092    C    -1.25473   -0.61633   0.49077   
 C5093    C    -1.25263   -0.61543   0.44287   
 C5094    C    -1.25389   -0.55072   0.48449   
 C5095    C    -1.25474   -0.56701   0.50928   
 C5096    C    -1.25267   -0.56792   0.55716   
 H5097    H    -1.23120   -0.63529   0.73316   
 H5098    H    -1.27889   -0.60010   0.73372   
 H5099    H    -1.27793   -0.59859   0.64704   
 H5100    H    -1.23005   -0.63409   0.64635   
 H5101    H    -1.23136   -0.49507   0.50279   
 H5102    H    -1.27872   -0.51144   0.58843   
 H5103    H    -1.27683   -0.54080   0.55412   
 H5104    H    -1.22934   -0.52431   0.46752   
 H5105    H    -1.22973   -0.68752   0.49472   
 H5106    H    -1.27726   -0.67166   0.40895   
 H5107    H    -1.27723   -0.64288   0.44714   
 H5108    H    -1.22953   -0.65885   0.53377   
 H5109    H    -1.22978   -0.54921   0.26643   
 H5110    H    -1.27772   -0.58417   0.26632   
 H5111    H    -1.27677   -0.58554   0.35307   
 H5112    H    -1.22877   -0.55014   0.35338   
 H5113    H    -1.24946   -0.58303   0.61957   
 H5114    H    -1.25220   -0.54004   0.41560   
 H5115    H    -1.25225   -0.64331   0.58442   
 H5116    H    -1.24938   -0.60032   0.38045   
 H5117    H    -1.24945   -0.55671   0.57655   
 H5118    H    -1.24939   -0.62664   0.42347   
 O5119    O    -1.24216   -0.47360   0.55843   
 O5120    O    -1.26813   -0.61020   0.81288   
 O5121    O    -1.24102   -0.62639   0.81018   
 O5122    O    -1.26860   -0.48100   0.60023   
 O5123    O    -1.26509   -0.70064   0.39169   
 O5124    O    -1.24043   -0.70908   0.43823   
 O5125    O    -1.24157   -0.55621   0.18958   
 O5126    O    -1.26561   -0.57594   0.18735   
 C5127    C    -0.76004   -0.67751   0.48268   
 C5128    C    -0.74639   -0.68115   0.44779   
 C5129    C    -0.73304   -0.66835   0.43518   
 C5130    C    -0.73361   -0.65214   0.45622   
 C5131    C    -0.74749   -0.64826   0.49073   
 C5132    C    -0.76052   -0.66135   0.50395   
 C5133    C    -0.75985   -0.55642   0.28673   
 C5134    C    -0.74661   -0.56641   0.26127   
 C5135    C    -0.73311   -0.57649   0.28558   
 C5136    C    -0.73316   -0.57690   0.33428   
 C5137    C    -0.74672   -0.56728   0.36016   
 C5138    C    -0.75986   -0.55685   0.33543   
 C5139    C    -0.74701   -0.56656   0.20916   
 C5140    C    -0.74634   -0.69843   0.42473   
 C5141    C    -0.75901   -0.62752   0.71400   
 C5142    C    -0.74512   -0.61819   0.73915   
 C5143    C    -0.73228   -0.60748   0.71472   
 C5144    C    -0.73347   -0.60598   0.66618   
 C5145    C    -0.74741   -0.61526   0.64057   
 C5146    C    -0.76008   -0.62613   0.66548   
 C5147    C    -0.75873   -0.50529   0.51386   
 C5148    C    -0.74508   -0.50164   0.54878   
 C5149    C    -0.73178   -0.51449   0.56138   
 C5150    C    -0.73248   -0.53072   0.54052   
 C5151    C    -0.74640   -0.53464   0.50615   
 C5152    C    -0.75933   -0.52149   0.49279   
 C5153    C    -0.74480   -0.61903   0.79125   
 C5154    C    -0.74531   -0.48444   0.57235   
 C5155    C    -0.74620   -0.55072   0.48449   
 C5156    C    -0.74536   -0.56702   0.50926   
 C5157    C    -0.74746   -0.56792   0.55715   
 C5158    C    -0.74739   -0.55185   0.43492   
 C5159    C    -0.74466   -0.58306   0.48593   
 C5160    C    -0.74620   -0.63263   0.51553   
 C5161    C    -0.74535   -0.61634   0.49074   
 C5162    C    -0.74743   -0.61544   0.44286   
 C5163    C    -0.74744   -0.63150   0.56510   
 C5164    C    -0.74467   -0.60029   0.51410   
 C5165    C    -0.74623   -0.61586   0.59097   
 C5166    C    -0.74538   -0.60017   0.56346   
 C5167    C    -0.74747   -0.58413   0.58366   
 C5168    C    -0.74617   -0.56750   0.40905   
 C5169    C    -0.74534   -0.58319   0.43654   
 C5170    C    -0.74742   -0.59922   0.41636   
 H5171    H    -0.77023   -0.68754   0.49252   
 H5172    H    -0.72227   -0.67130   0.40870   
 H5173    H    -0.72321   -0.64235   0.44584   
 H5174    H    -0.77124   -0.65876   0.53082   
 H5175    H    -0.77015   -0.54855   0.26761   
 H5176    H    -0.72271   -0.58399   0.26571   
 H5177    H    -0.72266   -0.58485   0.35256   
 H5178    H    -0.77031   -0.54912   0.35458   
 H5179    H    -0.76897   -0.63573   0.73312   
 H5180    H    -0.72164   -0.60013   0.73437   
 H5181    H    -0.72349   -0.59749   0.64789   
 H5182    H    -0.77096   -0.63346   0.64660   
 H5183    H    -0.76890   -0.49527   0.50399   
 H5184    H    -0.72120   -0.51167   0.58846   
 H5185    H    -0.72220   -0.54057   0.55129   
 H5186    H    -0.77009   -0.52408   0.46597   
 H5187    H    -0.74785   -0.54004   0.41561   
 H5188    H    -0.75065   -0.62664   0.42348   
 H5189    H    -0.75070   -0.55671   0.57655   
 H5190    H    -0.74790   -0.64331   0.58442   
 H5191    H    -0.75063   -0.60032   0.38045   
 H5192    H    -0.75071   -0.58303   0.61958   
 O5193    O    -0.73432   -0.70097   0.39182   
 O5194    O    -0.75840   -0.70943   0.44009   
 O5195    O    -0.75952   -0.55702   0.18961   
 O5196    O    -0.73489   -0.57615   0.18820   
 O5197    O    -0.75919   -0.47445   0.56169   
 O5198    O    -0.75807   -0.62781   0.81063   
 O5199    O    -0.73163   -0.61070   0.81251   
 O5200    O    -0.73210   -0.48111   0.60178   
 H5201    H    -0.79985   -0.74770   0.35749   
 O5202    O    -0.78604   -0.74830   0.35391   
 H5203    H    -1.27152   -0.72867   0.44307   
 O5204    O    -1.26600   -0.73443   0.41632   
 H5205    H    -0.70387   -0.47098   0.59131   
 H5206    H    -0.69951   -0.45094   0.59497   
 H5207    H    -0.70036   -0.43406   0.53500   
 O5208    O    -0.70065   -0.43242   0.56843   
 O5209    O    -0.70091   -0.46201   0.61371   
 H5210    H    -1.02834   -0.48146   0.43649   
 O5211    O    -1.02004   -0.48676   0.41354   
 H5212    H    -0.97180   -0.53199   0.40049   
 O5213    O    -0.97986   -0.52339   0.38587   
 H5214    H    -0.98645   -0.69358   0.49320   
 H5215    H    -0.99976   -0.70646   0.52176   
 H5216    H    -0.98944   -0.73092   0.54766   
 O5217    O    -1.00034   -0.72361   0.55448   
 O5218    O    -0.99926   -0.69467   0.50627   
 H5219    H    -0.98928   -0.45241   0.45223   
 H5220    H    -0.99966   -0.47683   0.47822   
 H5221    H    -0.98638   -0.48969   0.50677   
 O5222    O    -0.99920   -0.48861   0.49372   
 O5223    O    -1.00020   -0.45968   0.44542   
 H5224    H    -1.00032   -0.63607   0.58692   
 H5225    H    -1.01082   -0.64569   0.52100   
 H5226    H    -1.01349   -0.62546   0.62188   
 O5227    O    -0.99983   -0.64819   0.54051   
 O5228    O    -1.00071   -0.63033   0.61884   
 H5229    H    -1.02846   -0.70189   0.56352   
 O5230    O    -1.02016   -0.69658   0.58640   
 H5231    H    -0.97186   -0.65128   0.59942   
 O5232    O    -0.97993   -0.65988   0.61404   
 H5233    H    -1.01342   -0.55785   0.37809   
 H5234    H    -1.01074   -0.53760   0.47895   
 H5235    H    -1.00024   -0.54723   0.41305   
 O5236    O    -1.00063   -0.55298   0.38116   
 O5237    O    -0.99974   -0.53510   0.45946   
 Zr5238   Zr   -1.23193   -0.44793   0.58473   
 Zr5239   Zr   -0.76824   -0.44794   0.58469   
 Zr5240   Zr   -1.03616   -0.50000   0.35013   
 Zr5241   Zr   -1.00046   -0.67392   0.56467   
 Zr5242   Zr   -1.00039   -0.50939   0.43528   
 O5243    O    -1.22400   -0.43516   0.64542   
 O5244    O    -0.75704   -0.72729   0.35172   
 O5245    O    -0.73931   -0.44499   0.60121   
 O5246    O    -1.24167   -0.72763   0.35019   
 O5247    O    -0.98477   -0.69258   0.60470   
 O5248    O    -1.01544   -0.66661   0.62456   
 O5249    O    -1.01537   -0.51674   0.37541   
 O5250    O    -0.98466   -0.49069   0.39520   
 C5251    C    -0.82246   -0.87761   0.70953   
 C5252    C    -0.81632   -0.88322   0.66524   
 C5253    C    -0.82545   -0.87661   0.62522   
 C5254    C    -0.84008   -0.86439   0.62943   
 C5255    C    -0.84599   -0.85835   0.67368   
 C5256    C    -0.83709   -0.86542   0.71363   
 C5257    C    -0.82184   -0.75695   0.51140   
 C5258    C    -0.81617   -0.76880   0.47691   
 C5259    C    -0.82539   -0.78491   0.47468   
 C5260    C    -0.83965   -0.78922   0.50699   
 C5261    C    -0.84518   -0.77754   0.54230   
 C5262    C    -0.83620   -0.76124   0.54345   
 C5263    C    -0.80047   -0.76412   0.44354   
 C5264    C    -0.80016   -0.89575   0.66056   
 C5265    C    -0.91819   -0.73094   0.62282   
 C5266    C    -0.93751   -0.73595   0.61713   
 C5267    C    -0.94181   -0.75349   0.61084   
 C5268    C    -0.92712   -0.76578   0.61087   
 C5269    C    -0.90768   -0.76089   0.61672   
 C5270    C    -0.90352   -0.74321   0.62242   
 C5271    C    -0.91827   -0.85334   0.82223   
 C5272    C    -0.93760   -0.85245   0.80772   
 C5273    C    -0.94166   -0.84698   0.76191   
 C5274    C    -0.92682   -0.84206   0.73191   
 C5275    C    -0.90740   -0.84253   0.74651   
 C5276    C    -0.90342   -0.84853   0.79205   
 C5277    C    -0.95318   -0.72283   0.62023   
 C5278    C    -0.95331   -0.85691   0.84141   
 C5279    C    -0.86126   -0.78152   0.57086   
 C5280    C    -0.86226   -0.79770   0.59615   
 C5281    C    -0.84701   -0.80911   0.59676   
 C5282    C    -0.87639   -0.76958   0.58004   
 C5283    C    -0.87777   -0.80189   0.62613   
 C5284    C    -0.89277   -0.83826   0.71506   
 C5285    C    -0.89261   -0.82276   0.68671   
 C5286    C    -0.90576   -0.80967   0.69365   
 C5287    C    -0.87643   -0.84923   0.71024   
 C5288    C    -0.87778   -0.81912   0.65430   
 C5289    C    -0.86129   -0.84665   0.67734   
 C5290    C    -0.86228   -0.83085   0.65035   
 C5291    C    -0.84702   -0.82532   0.62326   
 C5292    C    -0.89274   -0.77313   0.60858   
 C5293    C    -0.89260   -0.78961   0.63251   
 C5294    C    -0.90575   -0.79346   0.66715   
 H5295    H    -0.81542   -0.88290   0.74036   
 H5296    H    -0.82087   -0.88117   0.59107   
 H5297    H    -0.84694   -0.85933   0.59803   
 H5298    H    -0.84158   -0.86117   0.74823   
 H5299    H    -0.81473   -0.74446   0.51265   
 H5300    H    -0.82120   -0.79391   0.44739   
 H5301    H    -0.84657   -0.80179   0.50485   
 H5302    H    -0.84036   -0.75195   0.57009   
 H5303    H    -0.91498   -0.71735   0.62791   
 H5304    H    -0.95680   -0.75734   0.60691   
 H5305    H    -0.93075   -0.77934   0.60637   
 H5306    H    -0.88865   -0.73907   0.62694   
 H5307    H    -0.91519   -0.85769   0.85758   
 H5308    H    -0.95664   -0.84628   0.75067   
 H5309    H    -0.93030   -0.83763   0.69678   
 H5310    H    -0.88856   -0.84923   0.80410   
 H5311    H    -0.87615   -0.75759   0.56157   
 H5312    H    -0.91569   -0.81036   0.72155   
 H5313    H    -0.83387   -0.80584   0.58047   
 H5314    H    -0.87620   -0.86085   0.73038   
 H5315    H    -0.91568   -0.78404   0.67852   
 H5316    H    -0.83388   -0.83216   0.62349   
 O5317    O    -0.79502   -0.90000   0.61941   
 O5318    O    -0.79271   -0.90125   0.69831   
 O5319    O    -0.79361   -0.74897   0.44700   
 O5320    O    -0.79510   -0.77550   0.41422   
 O5321    O    -0.94811   -0.85997   0.88328   
 O5322    O    -0.94809   -0.70752   0.63024   
 O5323    O    -0.97043   -0.72789   0.61366   
 O5324    O    -0.97057   -0.85701   0.82655   
 C5325    C    -1.17832   -0.87730   0.70848   
 C5326    C    -1.18399   -0.88308   0.66399   
 C5327    C    -1.17478   -0.87628   0.62436   
 C5328    C    -1.16051   -0.86372   0.62899   
 C5329    C    -1.15495   -0.85762   0.67349   
 C5330    C    -1.16397   -0.86484   0.71313   
 C5331    C    -1.17759   -0.75643   0.51156   
 C5332    C    -1.18375   -0.76831   0.47761   
 C5333    C    -1.17461   -0.78443   0.47474   
 C5334    C    -1.15994   -0.78874   0.50591   
 C5335    C    -1.15400   -0.77708   0.54096   
 C5336    C    -1.16291   -0.76077   0.54266   
 C5337    C    -1.19994   -0.76403   0.44540   
 C5338    C    -1.19966   -0.89619   0.65967   
 C5339    C    -1.08191   -0.73138   0.62736   
 C5340    C    -1.06259   -0.73651   0.62278   
 C5341    C    -1.05846   -0.75397   0.61446   
 C5342    C    -1.07329   -0.76608   0.61186   
 C5343    C    -1.09273   -0.76108   0.61726   
 C5344    C    -1.09673   -0.74346   0.62443   
 C5345    C    -1.08251   -0.85234   0.82385   
 C5346    C    -1.06311   -0.85106   0.81018   
 C5347    C    -1.05872   -0.84574   0.76446   
 C5348    C    -1.07343   -0.84140   0.73345   
 C5349    C    -1.09295   -0.84221   0.74717   
 C5350    C    -1.09719   -0.84802   0.79271   
 C5351    C    -1.04730   -0.85502   0.84384   
 C5352    C    -1.04686   -0.72344   0.62693   
 C5353    C    -1.10743   -0.77313   0.60858   
 C5354    C    -1.10758   -0.78960   0.63254   
 C5355    C    -1.09445   -0.79346   0.66716   
 C5356    C    -1.12375   -0.76958   0.58005   
 C5357    C    -1.12240   -0.80189   0.62612   
 C5358    C    -1.13891   -0.84665   0.67734   
 C5359    C    -1.13792   -0.83085   0.65037   
 C5360    C    -1.15314   -0.82532   0.62328   
 C5361    C    -1.12380   -0.84923   0.71023   
 C5362    C    -1.12240   -0.81912   0.65430   
 C5363    C    -1.10746   -0.83826   0.71506   
 C5364    C    -1.10759   -0.82276   0.68674   
 C5365    C    -1.09446   -0.80967   0.69366   
 C5366    C    -1.13888   -0.78152   0.57086   
 C5367    C    -1.13790   -0.79769   0.59617   
 C5368    C    -1.15313   -0.80911   0.59678   
 H5369    H    -1.18542   -0.88272   0.73902   
 H5370    H    -1.17897   -0.88099   0.58998   
 H5371    H    -1.15360   -0.85855   0.59785   
 H5372    H    -1.15981   -0.86049   0.74789   
 H5373    H    -1.18464   -0.74394   0.51325   
 H5374    H    -1.17924   -0.79347   0.44795   
 H5375    H    -1.15309   -0.80131   0.50340   
 H5376    H    -1.15841   -0.75145   0.56897   
 H5377    H    -1.08500   -0.71781   0.63345   
 H5378    H    -1.04350   -0.75788   0.61010   
 H5379    H    -1.06981   -0.77956   0.60561   
 H5380    H    -1.11161   -0.73923   0.62826   
 H5381    H    -1.08576   -0.85661   0.85917   
 H5382    H    -1.04369   -0.84502   0.75386   
 H5383    H    -1.06979   -0.83721   0.69823   
 H5384    H    -1.11215   -0.84898   0.80400   
 H5385    H    -1.12397   -0.75759   0.56157   
 H5386    H    -1.16628   -0.83216   0.62350   
 H5387    H    -1.08453   -0.78404   0.67852   
 H5388    H    -1.12402   -0.86085   0.73039   
 H5389    H    -1.16627   -0.80584   0.58048   
 H5390    H    -1.08454   -0.81036   0.72154   
 O5391    O    -1.20498   -0.90051   0.61874   
 O5392    O    -1.20649   -0.90216   0.69764   
 O5393    O    -1.20742   -0.74916   0.44983   
 O5394    O    -1.20511   -0.77548   0.41607   
 O5395    O    -1.02952   -0.72871   0.62469   
 O5396    O    -1.05210   -0.70783   0.63227   
 O5397    O    -1.05238   -0.85987   0.88445   
 O5398    O    -1.03003   -0.85326   0.82958   
 H5399    H    -0.75452   -0.79601   0.41881   
 H5400    H    -0.73482   -0.78885   0.47368   
 H5401    H    -0.77711   -0.79709   0.42669   
 O5402    O    -0.73403   -0.78949   0.44005   
 O5403    O    -0.76735   -0.79824   0.40269   
 H5404    H    -0.72852   -0.72963   0.44473   
 O5405    O    -0.73403   -0.73569   0.41850   
 H5406    H    -0.73640   -0.87557   0.62159   
 H5407    H    -0.77602   -0.88598   0.56503   
 H5408    H    -0.74580   -0.88720   0.58212   
 O5409    O    -0.73337   -0.88466   0.59958   
 O5410    O    -0.76581   -0.89413   0.55908   
 H5411    H    -1.25428   -0.79367   0.42933   
 H5412    H    -1.22406   -0.79982   0.42432   
 H5413    H    -1.26371   -0.78622   0.47557   
 O5414    O    -1.23427   -0.79795   0.40201   
 O5415    O    -1.26673   -0.78916   0.44351   
 H5416    H    -1.20015   -0.74864   0.35923   
 O5417    O    -1.21395   -0.74956   0.35614   
 H5418    H    -1.22300   -0.88644   0.57273   
 H5419    H    -1.26531   -0.87500   0.61442   
 H5420    H    -1.24558   -0.88953   0.57163   
 O5421    O    -1.23277   -0.89373   0.55880   
 O5422    O    -1.26610   -0.88566   0.59719   
 Zr5423   Zr   -0.76809   -0.73555   0.41514   
 Zr5424   Zr   -0.72886   -0.76496   0.41047   
 Zr5425   Zr   -0.77161   -0.91813   0.59098   
 Zr5426   Zr   -1.23193   -0.73554   0.41518   
 Zr5427   Zr   -1.22847   -0.77634   0.35929   
 Zr5428   Zr   -1.27125   -0.90675   0.64218   
 Zr5429   Zr   -0.99968   -0.71477   0.62426   
 O5430    O    -0.75832   -0.76044   0.40381   
 O5431    O    -1.24296   -0.76010   0.40535   
 H5432    H    -1.31038   0.24211    0.42663   
 H5433    H    -1.30093   0.26727    0.40396   
 H5434    H    -1.30987   0.27666    0.35978   
 O5435    O    -1.30001   0.27795    0.38348   
 O5436    O    -1.29922   0.24918    0.43253   
 C5437    C    -1.67702   0.07295    0.49128   
 C5438    C    -1.68243   0.08455    0.52662   
 C5439    C    -1.67389   0.10096    0.52778   
 C5440    C    -1.66039   0.10574    0.49402   
 C5441    C    -1.65489   0.09421    0.45830   
 C5442    C    -1.66341   0.07769    0.45781   
 C5443    C    -1.67676   0.19530    0.29164   
 C5444    C    -1.68243   0.20108    0.33614   
 C5445    C    -1.67320   0.19423    0.37574   
 C5446    C    -1.65907   0.18159    0.37105   
 C5447    C    -1.65357   0.17543    0.32656   
 C5448    C    -1.66251   0.18275    0.28699   
 C5449    C    -1.69780   0.07970    0.56066   
 C5450    C    -1.69836   0.21397    0.34032   
 C5451    C    -1.58226   0.16882    0.17610   
 C5452    C    -1.56284   0.16763    0.18978   
 C5453    C    -1.55849   0.16229    0.23553   
 C5454    C    -1.57321   0.15789    0.26648   
 C5455    C    -1.59272   0.15862    0.25268   
 C5456    C    -1.59694   0.16444    0.20713   
 C5457    C    -1.58177   0.04787    0.37293   
 C5458    C    -1.56246   0.05306    0.37747   
 C5459    C    -1.55834   0.07053    0.38580   
 C5460    C    -1.57318   0.08260    0.38840   
 C5461    C    -1.59260   0.07756    0.38295   
 C5462    C    -1.59660   0.05993    0.37583   
 C5463    C    -1.54673   0.04002    0.37321   
 C5464    C    -1.54704   0.17165    0.15618   
 C5465    C    -1.63880   0.16330    0.32268   
 C5466    C    -1.63781   0.14750    0.34967   
 C5467    C    -1.65307   0.14197    0.37676   
 C5468    C    -1.62366   0.16588    0.28978   
 C5469    C    -1.62231   0.13576    0.34573   
 C5470    C    -1.60736   0.08978    0.39144   
 C5471    C    -1.60750   0.10626    0.36751   
 C5472    C    -1.59434   0.11011    0.33287   
 C5473    C    -1.62370   0.08623    0.41998   
 C5474    C    -1.62232   0.11853    0.37389   
 C5475    C    -1.63884   0.09816    0.42916   
 C5476    C    -1.63783   0.11434    0.40387   
 C5477    C    -1.65308   0.12576    0.40327   
 C5478    C    -1.60732   0.15491    0.28496   
 C5479    C    -1.60748   0.13941    0.31331   
 C5480    C    -1.59433   0.12632    0.30637   
 H5481    H    -1.68375   0.06031    0.49042   
 H5482    H    -1.67827   0.10997    0.55495   
 H5483    H    -1.65406   0.11858    0.49528   
 H5484    H    -1.65941   0.06853    0.43068   
 H5485    H    -1.68383   0.20072    0.26111   
 H5486    H    -1.67762   0.19870    0.41022   
 H5487    H    -1.65229   0.17629    0.40224   
 H5488    H    -1.65839   0.17838    0.25218   
 H5489    H    -1.58551   0.17310    0.14074   
 H5490    H    -1.54347   0.16163    0.24620   
 H5491    H    -1.56958   0.15368    0.30173   
 H5492    H    -1.61190   0.16537    0.19583   
 H5493    H    -1.58484   0.03430    0.36682   
 H5494    H    -1.54338   0.07443    0.39015   
 H5495    H    -1.56970   0.09608    0.39464   
 H5496    H    -1.61149   0.05572    0.37198   
 H5497    H    -1.62389   0.17750    0.26964   
 H5498    H    -1.58441   0.10069    0.32150   
 H5499    H    -1.66621   0.14881    0.37653   
 H5500    H    -1.62394   0.07424    0.43845   
 H5501    H    -1.58440   0.12701    0.27847   
 H5502    H    -1.66622   0.12249    0.41956   
 O5503    O    -1.70703   0.21794    0.30260   
 O5504    O    -1.70596   0.06521    0.55435   
 O5505    O    -1.70189   0.09045    0.59282   
 O5506    O    -1.70241   0.21974    0.38073   
 O5507    O    -1.52977   0.16993    0.17048   
 O5508    O    -1.55210   0.17650    0.11555   
 O5509    O    -1.55195   0.02443    0.36778   
 O5510    O    -1.52939   0.04534    0.37535   
 C5511    C    -1.32315   0.07311    0.49115   
 C5512    C    -1.31746   0.08488    0.52586   
 C5513    C    -1.32661   0.10102    0.52793   
 C5514    C    -1.34072   0.10546    0.49541   
 C5515    C    -1.34624   0.09385    0.45981   
 C5516    C    -1.33733   0.07753    0.45882   
 C5517    C    -1.32328   0.19537    0.29092   
 C5518    C    -1.31784   0.20142    0.33532   
 C5519    C    -1.32651   0.19415    0.37511   
 C5520    C    -1.34003   0.18094    0.37060   
 C5521    C    -1.34547   0.17468    0.32624   
 C5522    C    -1.33690   0.18226    0.28649   
 C5523    C    -1.30162   0.08015    0.55889   
 C5524    C    -1.30239   0.21472    0.33971   
 C5525    C    -1.41810   0.16989    0.17764   
 C5526    C    -1.43745   0.16904    0.19205   
 C5527    C    -1.44159   0.16352    0.23774   
 C5528    C    -1.42681   0.15855    0.26788   
 C5529    C    -1.40736   0.15902    0.25340   
 C5530    C    -1.40333   0.16502    0.20793   
 C5531    C    -1.41795   0.04762    0.37782   
 C5532    C    -1.43727   0.05267    0.38337   
 C5533    C    -1.44149   0.07023    0.38984   
 C5534    C    -1.42675   0.08247    0.38996   
 C5535    C    -1.40731   0.07755    0.38405   
 C5536    C    -1.40324   0.05986    0.37833   
 C5537    C    -1.45308   0.17362    0.15833   
 C5538    C    -1.45300   0.03957    0.37988   
 C5539    C    -1.39263   0.15491    0.28496   
 C5540    C    -1.39250   0.13941    0.31328   
 C5541    C    -1.40563   0.12632    0.30636   
 C5542    C    -1.37630   0.16587    0.28977   
 C5543    C    -1.37768   0.13577    0.34574   
 C5544    C    -1.36122   0.09816    0.42916   
 C5545    C    -1.36219   0.11434    0.40385   
 C5546    C    -1.34696   0.12576    0.40325   
 C5547    C    -1.37633   0.08623    0.41999   
 C5548    C    -1.37770   0.11853    0.37389   
 C5549    C    -1.39267   0.08978    0.39144   
 C5550    C    -1.39251   0.10625    0.36748   
 C5551    C    -1.40564   0.11010    0.33286   
 C5552    C    -1.36118   0.16330    0.32268   
 C5553    C    -1.36217   0.14749    0.34965   
 C5554    C    -1.34695   0.14197    0.37675   
 H5555    H    -1.31610   0.06059    0.48980   
 H5556    H    -1.32215   0.11013    0.55484   
 H5557    H    -1.34745   0.11812    0.49733   
 H5558    H    -1.34147   0.06826    0.43204   
 H5559    H    -1.31650   0.20100    0.26026   
 H5560    H    -1.32216   0.19876    0.40947   
 H5561    H    -1.34640   0.17536    0.40193   
 H5562    H    -1.34088   0.17772    0.25179   
 H5563    H    -1.41495   0.17425    0.14233   
 H5564    H    -1.45658   0.16285    0.24879   
 H5565    H    -1.43037   0.15411    0.30293   
 H5566    H    -1.38842   0.16568    0.19600   
 H5567    H    -1.41478   0.03403    0.37270   
 H5568    H    -1.45645   0.07412    0.39374   
 H5569    H    -1.43034   0.09602    0.39450   
 H5570    H    -1.38835   0.05569    0.37389   
 H5571    H    -1.33382   0.12249    0.41955   
 H5572    H    -1.37607   0.17750    0.26964   
 H5573    H    -1.37612   0.07423    0.43845   
 H5574    H    -1.41555   0.12701    0.27848   
 H5575    H    -1.33381   0.14881    0.37652   
 H5576    H    -1.41556   0.10069    0.32151   
 O5577    O    -1.29413   0.21939    0.30205   
 O5578    O    -1.29761   0.09062    0.59167   
 O5579    O    -1.29300   0.06596    0.55091   
 O5580    O    -1.29828   0.22014    0.38052   
 O5581    O    -1.44794   0.02427    0.36970   
 O5582    O    -1.47035   0.17375    0.17321   
 O5583    O    -1.44786   0.17673    0.11651   
 O5584    O    -1.47024   0.04466    0.38633   
 H5585    H    -1.73536   0.08720    0.54810   
 O5586    O    -1.73923   0.08178    0.57700   
 H5587    H    -1.69016   0.24065    0.41878   
 H5588    H    -1.69911   0.25946    0.41691   
 H5589    H    -1.68963   0.27864    0.36728   
 O5590    O    -1.70082   0.27722    0.38692   
 O5591    O    -1.70001   0.24779    0.43288   
 H5592    H    -1.79975   0.02943    0.59446   
 H5593    H    -1.80067   0.05686    0.58199   
 H5594    H    -1.79632   0.06502    0.53231   
 O5595    O    -1.79927   0.06815    0.56425   
 O5596    O    -1.79950   0.03954    0.61402   
 H5597    H    -1.73650   0.20681    0.35061   
 O5598    O    -1.74070   0.21868    0.35067   
 H5599    H    -1.26357   0.08687    0.54662   
 O5600    O    -1.25939   0.08136    0.57513   
 H5601    H    -1.26471   0.20712    0.35199   
 O5602    O    -1.26084   0.21908    0.35249   
 Zr5603   Zr   -1.72633   0.09163    0.64655   
 Zr5604   Zr   -1.77333   0.22462    0.35203   
 Zr5605   Zr   -1.22674   0.07908    0.59009   
 Zr5606   Zr   -1.27377   0.23717    0.40848   
 Zr5607   Zr   -1.49955   0.03148    0.37567   
 Zr5608   Zr   -1.46371   0.00007    0.35006   
 O5609    O    -1.76084   0.05612    0.59934   
 O5610    O    -1.27619   0.06594    0.64351   
 C5611    C    -1.74139   -0.12738   0.71385   
 C5612    C    -1.75506   -0.11773   0.73898   
 C5613    C    -1.76834   -0.10757   0.71415   
 C5614    C    -1.76767   -0.10672   0.66550   
 C5615    C    -1.75373   -0.11608   0.64001   
 C5616    C    -1.74081   -0.12658   0.66519   
 C5617    C    -1.74132   -0.00517   0.51337   
 C5618    C    -1.75521   -0.00136   0.54765   
 C5619    C    -1.76807   -0.01437   0.56163   
 C5620    C    -1.76687   -0.03086   0.54241   
 C5621    C    -1.75287   -0.03485   0.50827   
 C5622    C    -1.74024   -0.02161   0.49396   
 C5623    C    -1.75487   -0.11819   0.79122   
 C5624    C    -1.75546   0.01598    0.57024   
 C5625    C    -1.74004   -0.17761   0.48469   
 C5626    C    -1.75333   -0.18131   0.44899   
 C5627    C    -1.76682   -0.16866   0.43608   
 C5628    C    -1.76673   -0.15257   0.45774   
 C5629    C    -1.75314   -0.14858   0.49279   
 C5630    C    -1.74002   -0.16152   0.50630   
 C5631    C    -1.73997   -0.05709   0.28590   
 C5632    C    -1.75361   -0.06682   0.26094   
 C5633    C    -1.76696   -0.07691   0.28579   
 C5634    C    -1.76638   -0.07759   0.33445   
 C5635    C    -1.75248   -0.06812   0.35978   
 C5636    C    -1.73950   -0.05768   0.33458   
 C5637    C    -1.75363   -0.06633   0.20874   
 C5638    C    -1.75296   -0.19826   0.42444   
 C5639    C    -1.75386   -0.06749   0.40905   
 C5640    C    -1.75471   -0.08318   0.43657   
 C5641    C    -1.75262   -0.09922   0.41637   
 C5642    C    -1.75267   -0.05186   0.43490   
 C5643    C    -1.75542   -0.08306   0.48593   
 C5644    C    -1.75392   -0.11586   0.59098   
 C5645    C    -1.75476   -0.10017   0.56348   
 C5646    C    -1.75267   -0.08413   0.58366   
 C5647    C    -1.75269   -0.13150   0.56512   
 C5648    C    -1.75543   -0.10029   0.51409   
 C5649    C    -1.75389   -0.13263   0.51553   
 C5650    C    -1.75473   -0.11633   0.49077   
 C5651    C    -1.75263   -0.11543   0.44287   
 C5652    C    -1.75389   -0.05072   0.48449   
 C5653    C    -1.75474   -0.06701   0.50928   
 C5654    C    -1.75267   -0.06792   0.55716   
 H5655    H    -1.73120   -0.13529   0.73316   
 H5656    H    -1.77889   -0.10010   0.73372   
 H5657    H    -1.77793   -0.09859   0.64704   
 H5658    H    -1.73005   -0.13409   0.64635   
 H5659    H    -1.73136   0.00493    0.50279   
 H5660    H    -1.77872   -0.01144   0.58843   
 H5661    H    -1.77683   -0.04080   0.55412   
 H5662    H    -1.72934   -0.02431   0.46752   
 H5663    H    -1.72973   -0.18752   0.49472   
 H5664    H    -1.77726   -0.17166   0.40895   
 H5665    H    -1.77723   -0.14288   0.44714   
 H5666    H    -1.72953   -0.15885   0.53377   
 H5667    H    -1.72978   -0.04921   0.26643   
 H5668    H    -1.77772   -0.08417   0.26632   
 H5669    H    -1.77677   -0.08554   0.35307   
 H5670    H    -1.72877   -0.05014   0.35338   
 H5671    H    -1.74946   -0.08303   0.61957   
 H5672    H    -1.75220   -0.04004   0.41560   
 H5673    H    -1.75225   -0.14331   0.58442   
 H5674    H    -1.74938   -0.10032   0.38045   
 H5675    H    -1.74945   -0.05671   0.57655   
 H5676    H    -1.74939   -0.12664   0.42347   
 O5677    O    -1.74216   0.02640    0.55843   
 O5678    O    -1.76813   -0.11020   0.81288   
 O5679    O    -1.74102   -0.12639   0.81018   
 O5680    O    -1.76860   0.01900    0.60023   
 O5681    O    -1.76509   -0.20064   0.39169   
 O5682    O    -1.74043   -0.20908   0.43823   
 O5683    O    -1.74157   -0.05621   0.18958   
 O5684    O    -1.76561   -0.07594   0.18735   
 C5685    C    -1.26004   -0.17751   0.48268   
 C5686    C    -1.24639   -0.18115   0.44779   
 C5687    C    -1.23304   -0.16835   0.43518   
 C5688    C    -1.23361   -0.15214   0.45622   
 C5689    C    -1.24749   -0.14826   0.49073   
 C5690    C    -1.26052   -0.16135   0.50395   
 C5691    C    -1.25985   -0.05642   0.28673   
 C5692    C    -1.24661   -0.06641   0.26127   
 C5693    C    -1.23311   -0.07649   0.28558   
 C5694    C    -1.23316   -0.07690   0.33428   
 C5695    C    -1.24672   -0.06728   0.36016   
 C5696    C    -1.25986   -0.05685   0.33543   
 C5697    C    -1.24701   -0.06656   0.20916   
 C5698    C    -1.24634   -0.19843   0.42473   
 C5699    C    -1.25901   -0.12752   0.71400   
 C5700    C    -1.24512   -0.11819   0.73915   
 C5701    C    -1.23228   -0.10748   0.71472   
 C5702    C    -1.23347   -0.10598   0.66618   
 C5703    C    -1.24741   -0.11526   0.64057   
 C5704    C    -1.26008   -0.12613   0.66548   
 C5705    C    -1.25873   -0.00529   0.51386   
 C5706    C    -1.24508   -0.00164   0.54878   
 C5707    C    -1.23178   -0.01449   0.56138   
 C5708    C    -1.23248   -0.03072   0.54052   
 C5709    C    -1.24640   -0.03464   0.50615   
 C5710    C    -1.25933   -0.02149   0.49279   
 C5711    C    -1.24480   -0.11903   0.79125   
 C5712    C    -1.24531   0.01556    0.57235   
 C5713    C    -1.24620   -0.05072   0.48449   
 C5714    C    -1.24536   -0.06702   0.50926   
 C5715    C    -1.24746   -0.06792   0.55715   
 C5716    C    -1.24739   -0.05185   0.43492   
 C5717    C    -1.24466   -0.08306   0.48593   
 C5718    C    -1.24620   -0.13263   0.51553   
 C5719    C    -1.24535   -0.11634   0.49074   
 C5720    C    -1.24743   -0.11544   0.44286   
 C5721    C    -1.24744   -0.13150   0.56510   
 C5722    C    -1.24467   -0.10029   0.51410   
 C5723    C    -1.24623   -0.11586   0.59097   
 C5724    C    -1.24538   -0.10017   0.56346   
 C5725    C    -1.24747   -0.08413   0.58366   
 C5726    C    -1.24617   -0.06750   0.40905   
 C5727    C    -1.24534   -0.08319   0.43654   
 C5728    C    -1.24742   -0.09922   0.41636   
 H5729    H    -1.27023   -0.18754   0.49252   
 H5730    H    -1.22227   -0.17130   0.40870   
 H5731    H    -1.22321   -0.14235   0.44584   
 H5732    H    -1.27124   -0.15876   0.53082   
 H5733    H    -1.27015   -0.04855   0.26761   
 H5734    H    -1.22271   -0.08399   0.26571   
 H5735    H    -1.22266   -0.08485   0.35256   
 H5736    H    -1.27031   -0.04912   0.35458   
 H5737    H    -1.26897   -0.13573   0.73312   
 H5738    H    -1.22164   -0.10013   0.73437   
 H5739    H    -1.22349   -0.09749   0.64789   
 H5740    H    -1.27096   -0.13346   0.64660   
 H5741    H    -1.26890   0.00473    0.50399   
 H5742    H    -1.22120   -0.01167   0.58846   
 H5743    H    -1.22220   -0.04057   0.55129   
 H5744    H    -1.27009   -0.02408   0.46597   
 H5745    H    -1.24785   -0.04004   0.41561   
 H5746    H    -1.25065   -0.12664   0.42348   
 H5747    H    -1.25070   -0.05671   0.57655   
 H5748    H    -1.24790   -0.14331   0.58442   
 H5749    H    -1.25063   -0.10032   0.38045   
 H5750    H    -1.25071   -0.08303   0.61958   
 O5751    O    -1.23432   -0.20097   0.39182   
 O5752    O    -1.25840   -0.20943   0.44009   
 O5753    O    -1.25952   -0.05702   0.18961   
 O5754    O    -1.23489   -0.07615   0.18820   
 O5755    O    -1.25919   0.02555    0.56169   
 O5756    O    -1.25807   -0.12781   0.81063   
 O5757    O    -1.23163   -0.11070   0.81251   
 O5758    O    -1.23210   0.01889    0.60178   
 H5759    H    -1.29985   -0.24770   0.35749   
 O5760    O    -1.28604   -0.24830   0.35391   
 H5761    H    -1.77152   -0.22867   0.44307   
 O5762    O    -1.76600   -0.23443   0.41632   
 H5763    H    -1.20387   0.02902    0.59131   
 H5764    H    -1.19951   0.04906    0.59497   
 H5765    H    -1.20036   0.06594    0.53500   
 O5766    O    -1.20065   0.06758    0.56843   
 O5767    O    -1.20091   0.03799    0.61371   
 H5768    H    -1.52834   0.01854    0.43649   
 O5769    O    -1.52004   0.01324    0.41354   
 H5770    H    -1.47180   -0.03199   0.40049   
 O5771    O    -1.47986   -0.02339   0.38587   
 H5772    H    -1.48645   -0.19358   0.49320   
 H5773    H    -1.49976   -0.20646   0.52176   
 H5774    H    -1.48944   -0.23092   0.54766   
 O5775    O    -1.50034   -0.22361   0.55448   
 O5776    O    -1.49926   -0.19467   0.50627   
 H5777    H    -1.48928   0.04759    0.45223   
 H5778    H    -1.49966   0.02317    0.47822   
 H5779    H    -1.48638   0.01031    0.50677   
 O5780    O    -1.49920   0.01139    0.49372   
 O5781    O    -1.50020   0.04032    0.44542   
 H5782    H    -1.50032   -0.13607   0.58692   
 H5783    H    -1.51082   -0.14569   0.52100   
 H5784    H    -1.51349   -0.12546   0.62188   
 O5785    O    -1.49983   -0.14819   0.54051   
 O5786    O    -1.50071   -0.13033   0.61884   
 H5787    H    -1.52846   -0.20189   0.56352   
 O5788    O    -1.52016   -0.19658   0.58640   
 H5789    H    -1.47186   -0.15128   0.59942   
 O5790    O    -1.47993   -0.15988   0.61404   
 H5791    H    -1.51342   -0.05785   0.37809   
 H5792    H    -1.51074   -0.03760   0.47895   
 H5793    H    -1.50024   -0.04723   0.41305   
 O5794    O    -1.50063   -0.05298   0.38116   
 O5795    O    -1.49974   -0.03510   0.45946   
 Zr5796   Zr   -1.73193   0.05207    0.58473   
 Zr5797   Zr   -1.26824   0.05206    0.58469   
 Zr5798   Zr   -1.53616   -0.00000   0.35013   
 Zr5799   Zr   -1.50046   -0.17392   0.56467   
 Zr5800   Zr   -1.50039   -0.00939   0.43528   
 O5801    O    -1.72400   0.06484    0.64542   
 O5802    O    -1.25704   -0.22729   0.35172   
 O5803    O    -1.23931   0.05501    0.60121   
 O5804    O    -1.74167   -0.22763   0.35019   
 O5805    O    -1.48477   -0.19258   0.60470   
 O5806    O    -1.51544   -0.16661   0.62456   
 O5807    O    -1.51537   -0.01674   0.37541   
 O5808    O    -1.48466   0.00931    0.39520   
 C5809    C    -1.32246   -0.37761   0.70953   
 C5810    C    -1.31632   -0.38322   0.66524   
 C5811    C    -1.32545   -0.37661   0.62522   
 C5812    C    -1.34008   -0.36439   0.62943   
 C5813    C    -1.34599   -0.35835   0.67368   
 C5814    C    -1.33709   -0.36542   0.71363   
 C5815    C    -1.32184   -0.25695   0.51140   
 C5816    C    -1.31617   -0.26880   0.47691   
 C5817    C    -1.32539   -0.28491   0.47468   
 C5818    C    -1.33965   -0.28922   0.50699   
 C5819    C    -1.34518   -0.27754   0.54230   
 C5820    C    -1.33620   -0.26124   0.54345   
 C5821    C    -1.30047   -0.26412   0.44354   
 C5822    C    -1.30016   -0.39575   0.66056   
 C5823    C    -1.41819   -0.23094   0.62282   
 C5824    C    -1.43751   -0.23595   0.61713   
 C5825    C    -1.44181   -0.25349   0.61084   
 C5826    C    -1.42712   -0.26578   0.61087   
 C5827    C    -1.40768   -0.26089   0.61672   
 C5828    C    -1.40352   -0.24321   0.62242   
 C5829    C    -1.41827   -0.35334   0.82223   
 C5830    C    -1.43760   -0.35245   0.80772   
 C5831    C    -1.44166   -0.34698   0.76191   
 C5832    C    -1.42682   -0.34206   0.73191   
 C5833    C    -1.40740   -0.34253   0.74651   
 C5834    C    -1.40342   -0.34853   0.79205   
 C5835    C    -1.45318   -0.22283   0.62023   
 C5836    C    -1.45331   -0.35691   0.84141   
 C5837    C    -1.36126   -0.28152   0.57086   
 C5838    C    -1.36226   -0.29770   0.59615   
 C5839    C    -1.34701   -0.30911   0.59676   
 C5840    C    -1.37639   -0.26958   0.58004   
 C5841    C    -1.37777   -0.30189   0.62613   
 C5842    C    -1.39277   -0.33826   0.71506   
 C5843    C    -1.39261   -0.32276   0.68671   
 C5844    C    -1.40576   -0.30967   0.69365   
 C5845    C    -1.37643   -0.34923   0.71024   
 C5846    C    -1.37778   -0.31912   0.65430   
 C5847    C    -1.36129   -0.34665   0.67734   
 C5848    C    -1.36228   -0.33085   0.65035   
 C5849    C    -1.34702   -0.32532   0.62326   
 C5850    C    -1.39274   -0.27313   0.60858   
 C5851    C    -1.39260   -0.28961   0.63251   
 C5852    C    -1.40575   -0.29346   0.66715   
 H5853    H    -1.31542   -0.38290   0.74036   
 H5854    H    -1.32087   -0.38117   0.59107   
 H5855    H    -1.34694   -0.35933   0.59803   
 H5856    H    -1.34158   -0.36117   0.74823   
 H5857    H    -1.31473   -0.24446   0.51265   
 H5858    H    -1.32120   -0.29391   0.44739   
 H5859    H    -1.34657   -0.30179   0.50485   
 H5860    H    -1.34036   -0.25195   0.57009   
 H5861    H    -1.41498   -0.21735   0.62791   
 H5862    H    -1.45680   -0.25734   0.60691   
 H5863    H    -1.43075   -0.27934   0.60637   
 H5864    H    -1.38865   -0.23907   0.62694   
 H5865    H    -1.41519   -0.35769   0.85758   
 H5866    H    -1.45664   -0.34628   0.75067   
 H5867    H    -1.43030   -0.33763   0.69678   
 H5868    H    -1.38856   -0.34923   0.80410   
 H5869    H    -1.37615   -0.25759   0.56157   
 H5870    H    -1.41569   -0.31036   0.72155   
 H5871    H    -1.33387   -0.30584   0.58047   
 H5872    H    -1.37620   -0.36085   0.73038   
 H5873    H    -1.41568   -0.28404   0.67852   
 H5874    H    -1.33388   -0.33216   0.62349   
 O5875    O    -1.29502   -0.40000   0.61941   
 O5876    O    -1.29271   -0.40125   0.69831   
 O5877    O    -1.29361   -0.24897   0.44700   
 O5878    O    -1.29510   -0.27550   0.41422   
 O5879    O    -1.44811   -0.35997   0.88328   
 O5880    O    -1.44809   -0.20752   0.63024   
 O5881    O    -1.47043   -0.22789   0.61366   
 O5882    O    -1.47057   -0.35701   0.82655   
 C5883    C    -1.67832   -0.37730   0.70848   
 C5884    C    -1.68399   -0.38308   0.66399   
 C5885    C    -1.67478   -0.37628   0.62436   
 C5886    C    -1.66051   -0.36372   0.62899   
 C5887    C    -1.65495   -0.35762   0.67349   
 C5888    C    -1.66397   -0.36484   0.71313   
 C5889    C    -1.67759   -0.25643   0.51156   
 C5890    C    -1.68375   -0.26831   0.47761   
 C5891    C    -1.67461   -0.28443   0.47474   
 C5892    C    -1.65994   -0.28874   0.50591   
 C5893    C    -1.65400   -0.27708   0.54096   
 C5894    C    -1.66291   -0.26077   0.54266   
 C5895    C    -1.69994   -0.26403   0.44540   
 C5896    C    -1.69966   -0.39619   0.65967   
 C5897    C    -1.58191   -0.23138   0.62736   
 C5898    C    -1.56259   -0.23651   0.62278   
 C5899    C    -1.55846   -0.25397   0.61446   
 C5900    C    -1.57329   -0.26608   0.61186   
 C5901    C    -1.59273   -0.26108   0.61726   
 C5902    C    -1.59673   -0.24346   0.62443   
 C5903    C    -1.58251   -0.35234   0.82385   
 C5904    C    -1.56311   -0.35106   0.81018   
 C5905    C    -1.55872   -0.34574   0.76446   
 C5906    C    -1.57343   -0.34140   0.73345   
 C5907    C    -1.59295   -0.34221   0.74717   
 C5908    C    -1.59719   -0.34802   0.79271   
 C5909    C    -1.54730   -0.35502   0.84384   
 C5910    C    -1.54686   -0.22344   0.62693   
 C5911    C    -1.60743   -0.27313   0.60858   
 C5912    C    -1.60758   -0.28960   0.63254   
 C5913    C    -1.59445   -0.29346   0.66716   
 C5914    C    -1.62375   -0.26958   0.58005   
 C5915    C    -1.62240   -0.30189   0.62612   
 C5916    C    -1.63891   -0.34665   0.67734   
 C5917    C    -1.63792   -0.33085   0.65037   
 C5918    C    -1.65314   -0.32532   0.62328   
 C5919    C    -1.62380   -0.34923   0.71023   
 C5920    C    -1.62240   -0.31912   0.65430   
 C5921    C    -1.60746   -0.33826   0.71506   
 C5922    C    -1.60759   -0.32276   0.68674   
 C5923    C    -1.59446   -0.30967   0.69366   
 C5924    C    -1.63888   -0.28152   0.57086   
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 C5926    C    -1.65313   -0.30911   0.59678   
 H5927    H    -1.68542   -0.38272   0.73902   
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 H5930    H    -1.65981   -0.36049   0.74789   
 H5931    H    -1.68464   -0.24394   0.51325   
 H5932    H    -1.67924   -0.29347   0.44795   
 H5933    H    -1.65309   -0.30131   0.50340   
 H5934    H    -1.65841   -0.25145   0.56897   
 H5935    H    -1.58500   -0.21781   0.63345   
 H5936    H    -1.54350   -0.25788   0.61010   
 H5937    H    -1.56981   -0.27956   0.60561   
 H5938    H    -1.61161   -0.23923   0.62826   
 H5939    H    -1.58576   -0.35661   0.85917   
 H5940    H    -1.54369   -0.34502   0.75386   
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 H5942    H    -1.61215   -0.34898   0.80400   
 H5943    H    -1.62397   -0.25759   0.56157   
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 H5946    H    -1.62402   -0.36085   0.73039   
 H5947    H    -1.66627   -0.30584   0.58048   
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 O5953    O    -1.52952   -0.22871   0.62469   
 O5954    O    -1.55210   -0.20783   0.63227   
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 H5962    H    -1.22852   -0.22963   0.44473   
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 Zr5981   Zr   -1.26809   -0.23555   0.41514   
 Zr5982   Zr   -1.22886   -0.26496   0.41047   
 Zr5983   Zr   -1.27161   -0.41813   0.59098   
 Zr5984   Zr   -1.73193   -0.23554   0.41518   
 Zr5985   Zr   -1.72847   -0.27634   0.35929   
 Zr5986   Zr   -1.77125   -0.40675   0.64218   
 Zr5987   Zr   -1.49968   -0.21477   0.62426   
 O5988    O    -1.25832   -0.26044   0.40381   
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 H5991    H    -1.80093   0.76727    0.40396   
 H5992    H    -1.80987   0.77666    0.35978   
 O5993    O    -1.80001   0.77795    0.38348   
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 C5995    C    -2.17702   0.57295    0.49128   
 C5996    C    -2.18243   0.58455    0.52662   
 C5997    C    -2.17389   0.60096    0.52778   
 C5998    C    -2.16039   0.60574    0.49402   
 C5999    C    -2.15489   0.59421    0.45830   
 C6000    C    -2.16341   0.57769    0.45781   
 C6001    C    -2.17676   0.69530    0.29164   
 C6002    C    -2.18243   0.70108    0.33614   
 C6003    C    -2.17320   0.69423    0.37574   
 C6004    C    -2.15907   0.68159    0.37105   
 C6005    C    -2.15357   0.67543    0.32656   
 C6006    C    -2.16251   0.68275    0.28699   
 C6007    C    -2.19780   0.57970    0.56066   
 C6008    C    -2.19836   0.71397    0.34032   
 C6009    C    -2.08226   0.66882    0.17610   
 C6010    C    -2.06284   0.66763    0.18978   
 C6011    C    -2.05849   0.66229    0.23553   
 C6012    C    -2.07321   0.65789    0.26648   
 C6013    C    -2.09272   0.65862    0.25268   
 C6014    C    -2.09694   0.66444    0.20713   
 C6015    C    -2.08177   0.54787    0.37293   
 C6016    C    -2.06246   0.55306    0.37747   
 C6017    C    -2.05834   0.57053    0.38580   
 C6018    C    -2.07318   0.58260    0.38840   
 C6019    C    -2.09260   0.57756    0.38295   
 C6020    C    -2.09660   0.55993    0.37583   
 C6021    C    -2.04673   0.54002    0.37321   
 C6022    C    -2.04704   0.67165    0.15618   
 C6023    C    -2.13880   0.66330    0.32268   
 C6024    C    -2.13781   0.64750    0.34967   
 C6025    C    -2.15307   0.64197    0.37676   
 C6026    C    -2.12366   0.66588    0.28978   
 C6027    C    -2.12231   0.63576    0.34573   
 C6028    C    -2.10736   0.58978    0.39144   
 C6029    C    -2.10750   0.60626    0.36751   
 C6030    C    -2.09434   0.61011    0.33287   
 C6031    C    -2.12370   0.58623    0.41998   
 C6032    C    -2.12232   0.61853    0.37389   
 C6033    C    -2.13884   0.59816    0.42916   
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 C6035    C    -2.15308   0.62576    0.40327   
 C6036    C    -2.10732   0.65491    0.28496   
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 H6045    H    -2.15229   0.67629    0.40224   
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 H6050    H    -2.11190   0.66537    0.19583   
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 H6052    H    -2.04338   0.57443    0.39015   
 H6053    H    -2.06970   0.59608    0.39464   
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 H6056    H    -2.08441   0.60069    0.32150   
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 H6059    H    -2.08440   0.62701    0.27847   
 H6060    H    -2.16622   0.62249    0.41956   
 O6061    O    -2.20703   0.71794    0.30260   
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 O6064    O    -2.20241   0.71974    0.38073   
 O6065    O    -2.02977   0.66993    0.17048   
 O6066    O    -2.05210   0.67650    0.11555   
 O6067    O    -2.05195   0.52443    0.36778   
 O6068    O    -2.02939   0.54534    0.37535   
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 C6070    C    -1.81746   0.58488    0.52586   
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 C6072    C    -1.84072   0.60546    0.49541   
 C6073    C    -1.84624   0.59385    0.45981   
 C6074    C    -1.83733   0.57753    0.45882   
 C6075    C    -1.82328   0.69537    0.29092   
 C6076    C    -1.81784   0.70142    0.33532   
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 C6078    C    -1.84003   0.68094    0.37060   
 C6079    C    -1.84547   0.67468    0.32624   
 C6080    C    -1.83690   0.68226    0.28649   
 C6081    C    -1.80162   0.58015    0.55889   
 C6082    C    -1.80239   0.71472    0.33971   
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 C6084    C    -1.93745   0.66904    0.19205   
 C6085    C    -1.94159   0.66352    0.23774   
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 C6087    C    -1.90736   0.65902    0.25340   
 C6088    C    -1.90333   0.66502    0.20793   
 C6089    C    -1.91795   0.54762    0.37782   
 C6090    C    -1.93727   0.55267    0.38337   
 C6091    C    -1.94149   0.57023    0.38984   
 C6092    C    -1.92675   0.58247    0.38996   
 C6093    C    -1.90731   0.57755    0.38405   
 C6094    C    -1.90324   0.55986    0.37833   
 C6095    C    -1.95308   0.67362    0.15833   
 C6096    C    -1.95300   0.53957    0.37988   
 C6097    C    -1.89263   0.65491    0.28496   
 C6098    C    -1.89250   0.63941    0.31328   
 C6099    C    -1.90563   0.62632    0.30636   
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 O6240    O    -2.24043   0.29092    0.43823   
 O6241    O    -2.24157   0.44379    0.18958   
 O6242    O    -2.26561   0.42406    0.18735   
 C6243    C    -1.76004   0.32249    0.48268   
 C6244    C    -1.74639   0.31885    0.44779   
 C6245    C    -1.73304   0.33165    0.43518   
 C6246    C    -1.73361   0.34786    0.45622   
 C6247    C    -1.74749   0.35174    0.49073   
 C6248    C    -1.76052   0.33865    0.50395   
 C6249    C    -1.75985   0.44358    0.28673   
 C6250    C    -1.74661   0.43359    0.26127   
 C6251    C    -1.73311   0.42351    0.28558   
 C6252    C    -1.73316   0.42310    0.33428   
 C6253    C    -1.74672   0.43272    0.36016   
 C6254    C    -1.75986   0.44315    0.33543   
 C6255    C    -1.74701   0.43344    0.20916   
 C6256    C    -1.74634   0.30157    0.42473   
 C6257    C    -1.75901   0.37248    0.71400   
 C6258    C    -1.74512   0.38181    0.73915   
 C6259    C    -1.73228   0.39252    0.71472   
 C6260    C    -1.73347   0.39402    0.66618   
 C6261    C    -1.74741   0.38474    0.64057   
 C6262    C    -1.76008   0.37387    0.66548   
 C6263    C    -1.75873   0.49471    0.51386   
 C6264    C    -1.74508   0.49836    0.54878   
 C6265    C    -1.73178   0.48551    0.56138   
 C6266    C    -1.73248   0.46928    0.54052   
 C6267    C    -1.74640   0.46536    0.50615   
 C6268    C    -1.75933   0.47851    0.49279   
 C6269    C    -1.74480   0.38097    0.79125   
 C6270    C    -1.74531   0.51556    0.57235   
 C6271    C    -1.74620   0.44928    0.48449   
 C6272    C    -1.74536   0.43298    0.50926   
 C6273    C    -1.74746   0.43208    0.55715   
 C6274    C    -1.74739   0.44815    0.43492   
 C6275    C    -1.74466   0.41694    0.48593   
 C6276    C    -1.74620   0.36737    0.51553   
 C6277    C    -1.74535   0.38366    0.49074   
 C6278    C    -1.74743   0.38456    0.44286   
 C6279    C    -1.74744   0.36850    0.56510   
 C6280    C    -1.74467   0.39971    0.51410   
 C6281    C    -1.74623   0.38414    0.59097   
 C6282    C    -1.74538   0.39983    0.56346   
 C6283    C    -1.74747   0.41587    0.58366   
 C6284    C    -1.74617   0.43250    0.40905   
 C6285    C    -1.74534   0.41681    0.43654   
 C6286    C    -1.74742   0.40078    0.41636   
 H6287    H    -1.77023   0.31246    0.49252   
 H6288    H    -1.72227   0.32870    0.40870   
 H6289    H    -1.72321   0.35765    0.44584   
 H6290    H    -1.77124   0.34124    0.53082   
 H6291    H    -1.77015   0.45145    0.26761   
 H6292    H    -1.72271   0.41601    0.26571   
 H6293    H    -1.72266   0.41515    0.35256   
 H6294    H    -1.77031   0.45088    0.35458   
 H6295    H    -1.76897   0.36427    0.73312   
 H6296    H    -1.72164   0.39987    0.73437   
 H6297    H    -1.72349   0.40251    0.64789   
 H6298    H    -1.77096   0.36654    0.64660   
 H6299    H    -1.76890   0.50473    0.50399   
 H6300    H    -1.72120   0.48833    0.58846   
 H6301    H    -1.72220   0.45943    0.55129   
 H6302    H    -1.77009   0.47592    0.46597   
 H6303    H    -1.74785   0.45996    0.41561   
 H6304    H    -1.75065   0.37336    0.42348   
 H6305    H    -1.75070   0.44329    0.57655   
 H6306    H    -1.74790   0.35669    0.58442   
 H6307    H    -1.75063   0.39968    0.38045   
 H6308    H    -1.75071   0.41697    0.61958   
 O6309    O    -1.73432   0.29903    0.39182   
 O6310    O    -1.75840   0.29057    0.44009   
 O6311    O    -1.75952   0.44298    0.18961   
 O6312    O    -1.73489   0.42385    0.18820   
 O6313    O    -1.75919   0.52555    0.56169   
 O6314    O    -1.75807   0.37219    0.81063   
 O6315    O    -1.73163   0.38930    0.81251   
 O6316    O    -1.73210   0.51889    0.60178   
 H6317    H    -1.79985   0.25230    0.35749   
 O6318    O    -1.78604   0.25170    0.35391   
 H6319    H    -2.27152   0.27133    0.44307   
 O6320    O    -2.26600   0.26557    0.41632   
 H6321    H    -1.70387   0.52902    0.59131   
 H6322    H    -1.69951   0.54906    0.59497   
 H6323    H    -1.70036   0.56594    0.53500   
 O6324    O    -1.70065   0.56758    0.56843   
 O6325    O    -1.70091   0.53799    0.61371   
 H6326    H    -2.02834   0.51854    0.43649   
 O6327    O    -2.02004   0.51324    0.41354   
 H6328    H    -1.97180   0.46801    0.40049   
 O6329    O    -1.97986   0.47661    0.38587   
 H6330    H    -1.98645   0.30642    0.49320   
 H6331    H    -1.99976   0.29354    0.52176   
 H6332    H    -1.98944   0.26908    0.54766   
 O6333    O    -2.00034   0.27639    0.55448   
 O6334    O    -1.99926   0.30533    0.50627   
 H6335    H    -1.98928   0.54759    0.45223   
 H6336    H    -1.99966   0.52317    0.47822   
 H6337    H    -1.98638   0.51031    0.50677   
 O6338    O    -1.99920   0.51139    0.49372   
 O6339    O    -2.00020   0.54032    0.44542   
 H6340    H    -2.00032   0.36393    0.58692   
 H6341    H    -2.01082   0.35431    0.52100   
 H6342    H    -2.01349   0.37454    0.62188   
 O6343    O    -1.99983   0.35181    0.54051   
 O6344    O    -2.00071   0.36967    0.61884   
 H6345    H    -2.02846   0.29811    0.56352   
 O6346    O    -2.02016   0.30342    0.58640   
 H6347    H    -1.97186   0.34872    0.59942   
 O6348    O    -1.97993   0.34012    0.61404   
 H6349    H    -2.01342   0.44215    0.37809   
 H6350    H    -2.01074   0.46240    0.47895   
 H6351    H    -2.00024   0.45277    0.41305   
 O6352    O    -2.00063   0.44702    0.38116   
 O6353    O    -1.99974   0.46490    0.45946   
 Zr6354   Zr   -2.23193   0.55207    0.58473   
 Zr6355   Zr   -1.76824   0.55206    0.58469   
 Zr6356   Zr   -2.03616   0.50000    0.35013   
 Zr6357   Zr   -2.00046   0.32608    0.56467   
 Zr6358   Zr   -2.00039   0.49061    0.43528   
 O6359    O    -2.22400   0.56484    0.64542   
 O6360    O    -1.75704   0.27271    0.35172   
 O6361    O    -1.73931   0.55501    0.60121   
 O6362    O    -2.24167   0.27237    0.35019   
 O6363    O    -1.98477   0.30742    0.60470   
 O6364    O    -2.01544   0.33339    0.62456   
 O6365    O    -2.01537   0.48326    0.37541   
 O6366    O    -1.98466   0.50931    0.39520   
 C6367    C    -1.82246   0.12239    0.70953   
 C6368    C    -1.81632   0.11678    0.66524   
 C6369    C    -1.82545   0.12339    0.62522   
 C6370    C    -1.84008   0.13561    0.62943   
 C6371    C    -1.84599   0.14165    0.67368   
 C6372    C    -1.83709   0.13458    0.71363   
 C6373    C    -1.82184   0.24305    0.51140   
 C6374    C    -1.81617   0.23120    0.47691   
 C6375    C    -1.82539   0.21509    0.47468   
 C6376    C    -1.83965   0.21078    0.50699   
 C6377    C    -1.84518   0.22246    0.54230   
 C6378    C    -1.83620   0.23876    0.54345   
 C6379    C    -1.80047   0.23588    0.44354   
 C6380    C    -1.80016   0.10425    0.66056   
 C6381    C    -1.91819   0.26906    0.62282   
 C6382    C    -1.93751   0.26405    0.61713   
 C6383    C    -1.94181   0.24651    0.61084   
 C6384    C    -1.92712   0.23422    0.61087   
 C6385    C    -1.90768   0.23911    0.61672   
 C6386    C    -1.90352   0.25679    0.62242   
 C6387    C    -1.91827   0.14666    0.82223   
 C6388    C    -1.93760   0.14755    0.80772   
 C6389    C    -1.94166   0.15302    0.76191   
 C6390    C    -1.92682   0.15794    0.73191   
 C6391    C    -1.90740   0.15747    0.74651   
 C6392    C    -1.90342   0.15147    0.79205   
 C6393    C    -1.95318   0.27717    0.62023   
 C6394    C    -1.95331   0.14309    0.84141   
 C6395    C    -1.86126   0.21848    0.57086   
 C6396    C    -1.86226   0.20230    0.59615   
 C6397    C    -1.84701   0.19089    0.59676   
 C6398    C    -1.87639   0.23042    0.58004   
 C6399    C    -1.87777   0.19811    0.62613   
 C6400    C    -1.89277   0.16174    0.71506   
 C6401    C    -1.89261   0.17724    0.68671   
 C6402    C    -1.90576   0.19033    0.69365   
 C6403    C    -1.87643   0.15077    0.71024   
 C6404    C    -1.87778   0.18088    0.65430   
 C6405    C    -1.86129   0.15335    0.67734   
 C6406    C    -1.86228   0.16915    0.65035   
 C6407    C    -1.84702   0.17468    0.62326   
 C6408    C    -1.89274   0.22687    0.60858   
 C6409    C    -1.89260   0.21039    0.63251   
 C6410    C    -1.90575   0.20654    0.66715   
 H6411    H    -1.81542   0.11710    0.74036   
 H6412    H    -1.82087   0.11883    0.59107   
 H6413    H    -1.84694   0.14067    0.59803   
 H6414    H    -1.84158   0.13883    0.74823   
 H6415    H    -1.81473   0.25554    0.51265   
 H6416    H    -1.82120   0.20609    0.44739   
 H6417    H    -1.84657   0.19821    0.50485   
 H6418    H    -1.84036   0.24805    0.57009   
 H6419    H    -1.91498   0.28265    0.62791   
 H6420    H    -1.95680   0.24266    0.60691   
 H6421    H    -1.93075   0.22066    0.60637   
 H6422    H    -1.88865   0.26093    0.62694   
 H6423    H    -1.91519   0.14231    0.85758   
 H6424    H    -1.95664   0.15372    0.75067   
 H6425    H    -1.93030   0.16237    0.69678   
 H6426    H    -1.88856   0.15077    0.80410   
 H6427    H    -1.87615   0.24241    0.56157   
 H6428    H    -1.91569   0.18964    0.72155   
 H6429    H    -1.83387   0.19416    0.58047   
 H6430    H    -1.87620   0.13915    0.73038   
 H6431    H    -1.91568   0.21596    0.67852   
 H6432    H    -1.83388   0.16784    0.62349   
 O6433    O    -1.79502   0.10000    0.61941   
 O6434    O    -1.79271   0.09875    0.69831   
 O6435    O    -1.79361   0.25103    0.44700   
 O6436    O    -1.79510   0.22450    0.41422   
 O6437    O    -1.94811   0.14003    0.88328   
 O6438    O    -1.94809   0.29248    0.63024   
 O6439    O    -1.97043   0.27211    0.61366   
 O6440    O    -1.97057   0.14299    0.82655   
 C6441    C    -2.17832   0.12270    0.70848   
 C6442    C    -2.18399   0.11692    0.66399   
 C6443    C    -2.17478   0.12372    0.62436   
 C6444    C    -2.16051   0.13628    0.62899   
 C6445    C    -2.15495   0.14238    0.67349   
 C6446    C    -2.16397   0.13516    0.71313   
 C6447    C    -2.17759   0.24357    0.51156   
 C6448    C    -2.18375   0.23169    0.47761   
 C6449    C    -2.17461   0.21557    0.47474   
 C6450    C    -2.15994   0.21126    0.50591   
 C6451    C    -2.15400   0.22292    0.54096   
 C6452    C    -2.16291   0.23923    0.54266   
 C6453    C    -2.19994   0.23597    0.44540   
 C6454    C    -2.19966   0.10381    0.65967   
 C6455    C    -2.08191   0.26862    0.62736   
 C6456    C    -2.06259   0.26349    0.62278   
 C6457    C    -2.05846   0.24603    0.61446   
 C6458    C    -2.07329   0.23392    0.61186   
 C6459    C    -2.09273   0.23892    0.61726   
 C6460    C    -2.09673   0.25654    0.62443   
 C6461    C    -2.08251   0.14766    0.82385   
 C6462    C    -2.06311   0.14894    0.81018   
 C6463    C    -2.05872   0.15426    0.76446   
 C6464    C    -2.07343   0.15860    0.73345   
 C6465    C    -2.09295   0.15779    0.74717   
 C6466    C    -2.09719   0.15198    0.79271   
 C6467    C    -2.04730   0.14498    0.84384   
 C6468    C    -2.04686   0.27656    0.62693   
 C6469    C    -2.10743   0.22687    0.60858   
 C6470    C    -2.10758   0.21040    0.63254   
 C6471    C    -2.09445   0.20654    0.66716   
 C6472    C    -2.12375   0.23042    0.58005   
 C6473    C    -2.12240   0.19811    0.62612   
 C6474    C    -2.13891   0.15335    0.67734   
 C6475    C    -2.13792   0.16915    0.65037   
 C6476    C    -2.15314   0.17468    0.62328   
 C6477    C    -2.12380   0.15077    0.71023   
 C6478    C    -2.12240   0.18088    0.65430   
 C6479    C    -2.10746   0.16174    0.71506   
 C6480    C    -2.10759   0.17724    0.68674   
 C6481    C    -2.09446   0.19033    0.69366   
 C6482    C    -2.13888   0.21848    0.57086   
 C6483    C    -2.13790   0.20231    0.59617   
 C6484    C    -2.15313   0.19089    0.59678   
 H6485    H    -2.18542   0.11728    0.73902   
 H6486    H    -2.17897   0.11901    0.58998   
 H6487    H    -2.15360   0.14145    0.59785   
 H6488    H    -2.15981   0.13951    0.74789   
 H6489    H    -2.18464   0.25606    0.51325   
 H6490    H    -2.17924   0.20653    0.44795   
 H6491    H    -2.15309   0.19869    0.50340   
 H6492    H    -2.15841   0.24855    0.56897   
 H6493    H    -2.08500   0.28219    0.63345   
 H6494    H    -2.04350   0.24212    0.61010   
 H6495    H    -2.06981   0.22044    0.60561   
 H6496    H    -2.11161   0.26077    0.62826   
 H6497    H    -2.08576   0.14339    0.85917   
 H6498    H    -2.04369   0.15498    0.75386   
 H6499    H    -2.06979   0.16279    0.69823   
 H6500    H    -2.11215   0.15102    0.80400   
 H6501    H    -2.12397   0.24241    0.56157   
 H6502    H    -2.16628   0.16784    0.62350   
 H6503    H    -2.08453   0.21596    0.67852   
 H6504    H    -2.12402   0.13915    0.73039   
 H6505    H    -2.16627   0.19416    0.58048   
 H6506    H    -2.08454   0.18964    0.72154   
 O6507    O    -2.20498   0.09949    0.61874   
 O6508    O    -2.20649   0.09784    0.69764   
 O6509    O    -2.20742   0.25084    0.44983   
 O6510    O    -2.20511   0.22452    0.41607   
 O6511    O    -2.02952   0.27129    0.62469   
 O6512    O    -2.05210   0.29217    0.63227   
 O6513    O    -2.05238   0.14013    0.88445   
 O6514    O    -2.03003   0.14674    0.82958   
 H6515    H    -1.75452   0.20399    0.41881   
 H6516    H    -1.73482   0.21115    0.47368   
 H6517    H    -1.77711   0.20291    0.42669   
 O6518    O    -1.73403   0.21051    0.44005   
 O6519    O    -1.76735   0.20176    0.40269   
 H6520    H    -1.72852   0.27037    0.44473   
 O6521    O    -1.73403   0.26431    0.41850   
 H6522    H    -1.73640   0.12443    0.62159   
 H6523    H    -1.77602   0.11402    0.56503   
 H6524    H    -1.74580   0.11280    0.58212   
 O6525    O    -1.73337   0.11534    0.59958   
 O6526    O    -1.76581   0.10587    0.55908   
 H6527    H    -2.25428   0.20633    0.42933   
 H6528    H    -2.22406   0.20018    0.42432   
 H6529    H    -2.26371   0.21378    0.47557   
 O6530    O    -2.23427   0.20205    0.40201   
 O6531    O    -2.26673   0.21084    0.44351   
 H6532    H    -2.20015   0.25136    0.35923   
 O6533    O    -2.21395   0.25044    0.35614   
 H6534    H    -2.22300   0.11356    0.57273   
 H6535    H    -2.26531   0.12500    0.61442   
 H6536    H    -2.24558   0.11047    0.57163   
 O6537    O    -2.23277   0.10627    0.55880   
 O6538    O    -2.26610   0.11434    0.59719   
 Zr6539   Zr   -1.76809   0.26445    0.41514   
 Zr6540   Zr   -1.72886   0.23504    0.41047   
 Zr6541   Zr   -1.77161   0.08187    0.59098   
 Zr6542   Zr   -2.23193   0.26446    0.41518   
 Zr6543   Zr   -2.22847   0.22366    0.35929   
 Zr6544   Zr   -2.27125   0.09325    0.64218   
 Zr6545   Zr   -1.99968   0.28523    0.62426   
 O6546    O    -1.75832   0.23956    0.40381   
 O6547    O    -2.24296   0.23990    0.40535   
 C6548    C    -2.74139   0.87262    0.71385   
 C6549    C    -2.75506   0.88227    0.73898   
 C6550    C    -2.76834   0.89243    0.71415   
 C6551    C    -2.76767   0.89328    0.66550   
 C6552    C    -2.75373   0.88392    0.64001   
 C6553    C    -2.74081   0.87342    0.66519   
 C6554    C    -2.74132   0.99483    0.51337   
 C6555    C    -2.75521   0.99864    0.54765   
 C6556    C    -2.76807   0.98563    0.56163   
 C6557    C    -2.76687   0.96914    0.54241   
 C6558    C    -2.75287   0.96515    0.50827   
 C6559    C    -2.74024   0.97839    0.49396   
 C6560    C    -2.75487   0.88181    0.79122   
 C6561    C    -2.75546   1.01598    0.57024   
 C6562    C    -2.74004   0.82239    0.48469   
 C6563    C    -2.75333   0.81869    0.44899   
 C6564    C    -2.76682   0.83134    0.43608   
 C6565    C    -2.76673   0.84743    0.45774   
 C6566    C    -2.75314   0.85142    0.49279   
 C6567    C    -2.74002   0.83848    0.50630   
 C6568    C    -2.73997   0.94291    0.28590   
 C6569    C    -2.75361   0.93318    0.26094   
 C6570    C    -2.76696   0.92309    0.28579   
 C6571    C    -2.76638   0.92241    0.33445   
 C6572    C    -2.75248   0.93188    0.35978   
 C6573    C    -2.73950   0.94232    0.33458   
 C6574    C    -2.75363   0.93367    0.20874   
 C6575    C    -2.75296   0.80174    0.42444   
 C6576    C    -2.75386   0.93251    0.40905   
 C6577    C    -2.75471   0.91682    0.43657   
 C6578    C    -2.75262   0.90078    0.41637   
 C6579    C    -2.75267   0.94814    0.43490   
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 O6616    O    -2.74102   0.87361    0.81018   
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 O6619    O    -2.74043   0.79092    0.43823   
 O6620    O    -2.74157   0.94379    0.18958   
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 C6631    C    -2.23316   0.92310    0.33428   
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 H6678    H    -2.26890   1.00473    0.50399   
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 H6683    H    -2.25065   0.87336    0.42348   
 H6684    H    -2.25070   0.94329    0.57655   
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 H6686    H    -2.25063   0.89968    0.38045   
 H6687    H    -2.25071   0.91697    0.61958   
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 O6693    O    -2.25807   0.87219    0.81063   
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 H6701    H    -2.19951   1.04906    0.59497   
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 H6720    H    -2.51082   0.85431    0.52100   
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 H6729    H    -2.51074   0.96240    0.47895   
 H6730    H    -2.50024   0.95277    0.41305   
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 Zr6736   Zr   -2.50046   0.82608    0.56467   
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 O6738    O    -2.72400   1.06484    0.64542   
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 O6740    O    -2.23931   1.05501    0.60121   
 O6741    O    -2.74167   0.77237    0.35019   
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 O6744    O    -2.51537   0.98326    0.37541   
 O6745    O    -2.48466   1.00931    0.39520   
 C6746    C    -2.32246   0.62239    0.70953   
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 C6760    C    -2.41819   0.76906    0.62282   
 C6761    C    -2.43751   0.76405    0.61713   
 C6762    C    -2.44181   0.74651    0.61084   
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 C6767    C    -2.43760   0.64755    0.80772   
 C6768    C    -2.44166   0.65302    0.76191   
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 H6794    H    -2.31473   0.75554    0.51265   
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 H6796    H    -2.34657   0.69821    0.50485   
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 H6806    H    -2.37615   0.74241    0.56157   
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 H6808    H    -2.33387   0.69416    0.58047   
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 H6810    H    -2.41568   0.71596    0.67852   
 H6811    H    -2.33388   0.66784    0.62349   
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 O6813    O    -2.29271   0.59875    0.69831   
 O6814    O    -2.29361   0.75103    0.44700   
 O6815    O    -2.29510   0.72450    0.41422   
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 O6817    O    -2.44809   0.79248    0.63024   
 O6818    O    -2.47043   0.77211    0.61366   
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 C6822    C    -2.67478   0.62372    0.62436   
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 C6824    C    -2.65495   0.64238    0.67349   
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 C6828    C    -2.67461   0.71557    0.47474   
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 H6902    H    -2.27602   0.61402    0.56503   
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 O6912    O    -2.71395   0.75044    0.35614   
 H6913    H    -2.72300   0.61356    0.57273   
 H6914    H    -2.76531   0.62500    0.61442   
 H6915    H    -2.74558   0.61047    0.57163   
 O6916    O    -2.73277   0.60627    0.55880   
 O6917    O    -2.76610   0.61434    0.59719   
 Zr6918   Zr   -2.26809   0.76445    0.41514   
 Zr6919   Zr   -2.22886   0.73504    0.41047   
 Zr6920   Zr   -2.27161   0.58187    0.59098   
 Zr6921   Zr   -2.73193   0.76446    0.41518   
 Zr6922   Zr   -2.72847   0.72366    0.35929   
 Zr6923   Zr   -2.77125   0.59325    0.64218   
 Zr6924   Zr   -2.49968   0.78523    0.62426   
 O6925    O    -2.25832   0.73956    0.40381   
 O6926    O    -2.74296   0.73990    0.40535   
 H6927    H    1.18962    -1.25789   0.42663   
 H6928    H    1.19907    -1.23273   0.40396   
 H6929    H    1.19013    -1.22334   0.35978   
 O6930    O    1.19999    -1.22205   0.38348   
 O6931    O    1.20078    -1.25082   0.43253   
 H6932    H    0.68962    -0.75789   0.42663   
 H6933    H    0.69907    -0.73273   0.40396   
 H6934    H    0.69013    -0.72334   0.35978   
 O6935    O    0.69999    -0.72205   0.38348   
 O6936    O    0.70078    -0.75082   0.43253   
 C6937    C    0.32298    -0.92705   0.49128   
 C6938    C    0.31757    -0.91545   0.52662   
 C6939    C    0.32611    -0.89904   0.52778   
 C6940    C    0.33961    -0.89426   0.49402   
 C6941    C    0.34511    -0.90579   0.45830   
 C6942    C    0.33659    -0.92231   0.45781   
 C6943    C    0.32324    -0.80470   0.29164   
 C6944    C    0.31757    -0.79892   0.33614   
 C6945    C    0.32680    -0.80577   0.37574   
 C6946    C    0.34093    -0.81841   0.37105   
 C6947    C    0.34643    -0.82457   0.32656   
 C6948    C    0.33749    -0.81725   0.28699   
 C6949    C    0.30220    -0.92030   0.56066   
 C6950    C    0.30164    -0.78603   0.34032   
 C6951    C    0.41774    -0.83118   0.17610   
 C6952    C    0.43716    -0.83237   0.18978   
 C6953    C    0.44151    -0.83771   0.23553   
 C6954    C    0.42679    -0.84211   0.26648   
 C6955    C    0.40728    -0.84138   0.25268   
 C6956    C    0.40306    -0.83556   0.20713   
 C6957    C    0.41823    -0.95213   0.37293   
 C6958    C    0.43754    -0.94694   0.37747   
 C6959    C    0.44166    -0.92947   0.38580   
 C6960    C    0.42682    -0.91740   0.38840   
 C6961    C    0.40740    -0.92244   0.38295   
 C6962    C    0.40340    -0.94007   0.37583   
 C6963    C    0.45327    -0.95998   0.37321   
 C6964    C    0.45296    -0.82835   0.15618   
 C6965    C    0.36120    -0.83670   0.32268   
 C6966    C    0.36219    -0.85250   0.34967   
 C6967    C    0.34693    -0.85803   0.37676   
 C6968    C    0.37634    -0.83412   0.28978   
 C6969    C    0.37769    -0.86424   0.34573   
 C6970    C    0.39264    -0.91022   0.39144   
 C6971    C    0.39250    -0.89374   0.36751   
 C6972    C    0.40566    -0.88989   0.33287   
 C6973    C    0.37630    -0.91377   0.41998   
 C6974    C    0.37768    -0.88147   0.37389   
 C6975    C    0.36116    -0.90184   0.42916   
 C6976    C    0.36217    -0.88566   0.40387   
 C6977    C    0.34692    -0.87424   0.40327   
 C6978    C    0.39268    -0.84509   0.28496   
 C6979    C    0.39252    -0.86059   0.31331   
 C6980    C    0.40567    -0.87368   0.30637   
 H6981    H    0.31625    -0.93969   0.49042   
 H6982    H    0.32173    -0.89003   0.55495   
 H6983    H    0.34594    -0.88142   0.49528   
 H6984    H    0.34059    -0.93147   0.43068   
 H6985    H    0.31617    -0.79928   0.26111   
 H6986    H    0.32238    -0.80130   0.41022   
 H6987    H    0.34771    -0.82371   0.40224   
 H6988    H    0.34161    -0.82162   0.25218   
 H6989    H    0.41449    -0.82690   0.14074   
 H6990    H    0.45653    -0.83837   0.24620   
 H6991    H    0.43042    -0.84632   0.30173   
 H6992    H    0.38810    -0.83463   0.19583   
 H6993    H    0.41516    -0.96570   0.36682   
 H6994    H    0.45662    -0.92557   0.39015   
 H6995    H    0.43030    -0.90392   0.39464   
 H6996    H    0.38851    -0.94428   0.37198   
 H6997    H    0.37611    -0.82250   0.26964   
 H6998    H    0.41559    -0.89931   0.32150   
 H6999    H    0.33379    -0.85119   0.37653   
 H7000    H    0.37606    -0.92576   0.43845   
 H7001    H    0.41560    -0.87299   0.27847   
 H7002    H    0.33378    -0.87751   0.41956   
 O7003    O    0.29297    -0.78206   0.30260   
 O7004    O    0.29404    -0.93479   0.55435   
 O7005    O    0.29811    -0.90955   0.59282   
 O7006    O    0.29759    -0.78026   0.38073   
 O7007    O    0.47023    -0.83007   0.17048   
 O7008    O    0.44790    -0.82350   0.11555   
 O7009    O    0.44805    -0.97557   0.36778   
 O7010    O    0.47061    -0.95466   0.37535   
 C7011    C    0.67685    -0.92689   0.49115   
 C7012    C    0.68254    -0.91512   0.52586   
 C7013    C    0.67339    -0.89898   0.52793   
 C7014    C    0.65928    -0.89454   0.49541   
 C7015    C    0.65376    -0.90615   0.45981   
 C7016    C    0.66267    -0.92247   0.45882   
 C7017    C    0.67672    -0.80463   0.29092   
 C7018    C    0.68216    -0.79858   0.33532   
 C7019    C    0.67349    -0.80585   0.37511   
 C7020    C    0.65997    -0.81906   0.37060   
 C7021    C    0.65453    -0.82532   0.32624   
 C7022    C    0.66310    -0.81774   0.28649   
 C7023    C    0.69838    -0.91985   0.55889   
 C7024    C    0.69761    -0.78528   0.33971   
 C7025    C    0.58190    -0.83011   0.17764   
 C7026    C    0.56255    -0.83096   0.19205   
 C7027    C    0.55841    -0.83648   0.23774   
 C7028    C    0.57319    -0.84145   0.26788   
 C7029    C    0.59264    -0.84098   0.25340   
 C7030    C    0.59667    -0.83498   0.20793   
 C7031    C    0.58205    -0.95238   0.37782   
 C7032    C    0.56273    -0.94733   0.38337   
 C7033    C    0.55851    -0.92977   0.38984   
 C7034    C    0.57325    -0.91753   0.38996   
 C7035    C    0.59269    -0.92245   0.38405   
 C7036    C    0.59676    -0.94014   0.37833   
 C7037    C    0.54692    -0.82638   0.15833   
 C7038    C    0.54700    -0.96043   0.37988   
 C7039    C    0.60737    -0.84509   0.28496   
 C7040    C    0.60750    -0.86059   0.31328   
 C7041    C    0.59437    -0.87368   0.30636   
 C7042    C    0.62370    -0.83413   0.28977   
 C7043    C    0.62232    -0.86423   0.34574   
 C7044    C    0.63878    -0.90184   0.42916   
 C7045    C    0.63781    -0.88566   0.40385   
 C7046    C    0.65304    -0.87424   0.40325   
 C7047    C    0.62367    -0.91377   0.41999   
 C7048    C    0.62230    -0.88147   0.37389   
 C7049    C    0.60733    -0.91022   0.39144   
 C7050    C    0.60749    -0.89375   0.36748   
 C7051    C    0.59436    -0.88990   0.33286   
 C7052    C    0.63882    -0.83670   0.32268   
 C7053    C    0.63783    -0.85251   0.34965   
 C7054    C    0.65305    -0.85803   0.37675   
 H7055    H    0.68390    -0.93941   0.48980   
 H7056    H    0.67785    -0.88987   0.55484   
 H7057    H    0.65255    -0.88188   0.49733   
 H7058    H    0.65853    -0.93174   0.43204   
 H7059    H    0.68350    -0.79900   0.26026   
 H7060    H    0.67784    -0.80124   0.40947   
 H7061    H    0.65360    -0.82464   0.40193   
 H7062    H    0.65912    -0.82228   0.25179   
 H7063    H    0.58505    -0.82575   0.14233   
 H7064    H    0.54342    -0.83715   0.24879   
 H7065    H    0.56963    -0.84589   0.30293   
 H7066    H    0.61158    -0.83432   0.19600   
 H7067    H    0.58522    -0.96597   0.37270   
 H7068    H    0.54355    -0.92588   0.39374   
 H7069    H    0.56966    -0.90398   0.39450   
 H7070    H    0.61165    -0.94431   0.37389   
 H7071    H    0.66618    -0.87751   0.41955   
 H7072    H    0.62393    -0.82250   0.26964   
 H7073    H    0.62388    -0.92577   0.43845   
 H7074    H    0.58445    -0.87299   0.27848   
 H7075    H    0.66619    -0.85119   0.37652   
 H7076    H    0.58444    -0.89931   0.32151   
 O7077    O    0.70587    -0.78061   0.30205   
 O7078    O    0.70239    -0.90938   0.59167   
 O7079    O    0.70700    -0.93404   0.55091   
 O7080    O    0.70172    -0.77986   0.38052   
 O7081    O    0.55206    -0.97573   0.36970   
 O7082    O    0.52965    -0.82625   0.17321   
 O7083    O    0.55214    -0.82327   0.11651   
 O7084    O    0.52976    -0.95534   0.38633   
 H7085    H    0.26464    -0.91280   0.54810   
 O7086    O    0.26077    -0.91822   0.57700   
 H7087    H    0.30984    -0.75935   0.41878   
 H7088    H    0.30089    -0.74054   0.41691   
 H7089    H    0.31037    -0.72136   0.36728   
 O7090    O    0.29918    -0.72278   0.38692   
 O7091    O    0.29999    -0.75221   0.43288   
 H7092    H    0.20025    -0.97057   0.59446   
 H7093    H    0.19933    -0.94314   0.58199   
 H7094    H    0.20368    -0.93498   0.53231   
 O7095    O    0.20073    -0.93185   0.56425   
 O7096    O    0.20050    -0.96046   0.61402   
 H7097    H    0.26350    -0.79319   0.35061   
 O7098    O    0.25930    -0.78132   0.35067   
 H7099    H    0.73643    -0.91313   0.54662   
 O7100    O    0.74061    -0.91864   0.57513   
 H7101    H    0.73529    -0.79288   0.35199   
 O7102    O    0.73916    -0.78092   0.35249   
 Zr7103   Zr   0.27367    -0.90837   0.64655   
 Zr7104   Zr   0.22667    -0.77538   0.35203   
 Zr7105   Zr   0.77326    -0.92092   0.59009   
 Zr7106   Zr   0.72623    -0.76283   0.40848   
 Zr7107   Zr   0.50045    -0.96852   0.37567   
 Zr7108   Zr   0.53629    -0.99993   0.35006   
 O7109    O    0.23916    -0.94388   0.59934   
 O7110    O    0.72381    -0.93406   0.64351   
 C7111    C    0.25861    -1.12738   0.71385   
 C7112    C    0.24494    -1.11773   0.73898   
 C7113    C    0.23166    -1.10757   0.71415   
 C7114    C    0.23233    -1.10672   0.66550   
 C7115    C    0.24627    -1.11608   0.64001   
 C7116    C    0.25919    -1.12658   0.66519   
 C7117    C    0.25868    -1.00517   0.51337   
 C7118    C    0.24479    -1.00136   0.54765   
 C7119    C    0.23193    -1.01437   0.56163   
 C7120    C    0.23313    -1.03086   0.54241   
 C7121    C    0.24713    -1.03485   0.50827   
 C7122    C    0.25976    -1.02161   0.49396   
 C7123    C    0.24513    -1.11819   0.79122   
 C7124    C    0.24454    -0.98402   0.57024   
 C7125    C    0.25996    -1.17761   0.48469   
 C7126    C    0.24667    -1.18131   0.44899   
 C7127    C    0.23318    -1.16866   0.43608   
 C7128    C    0.23327    -1.15257   0.45774   
 C7129    C    0.24686    -1.14858   0.49279   
 C7130    C    0.25998    -1.16152   0.50630   
 C7131    C    0.26003    -1.05709   0.28590   
 C7132    C    0.24639    -1.06682   0.26094   
 C7133    C    0.23304    -1.07691   0.28579   
 C7134    C    0.23362    -1.07759   0.33445   
 C7135    C    0.24752    -1.06812   0.35978   
 C7136    C    0.26050    -1.05768   0.33458   
 C7137    C    0.24637    -1.06633   0.20874   
 C7138    C    0.24704    -1.19826   0.42444   
 C7139    C    0.24614    -1.06749   0.40905   
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 C7141    C    0.24738    -1.09922   0.41637   
 C7142    C    0.24733    -1.05186   0.43490   
 C7143    C    0.24458    -1.08306   0.48593   
 C7144    C    0.24608    -1.11586   0.59098   
 C7145    C    0.24524    -1.10017   0.56348   
 C7146    C    0.24733    -1.08413   0.58366   
 C7147    C    0.24731    -1.13150   0.56512   
 C7148    C    0.24457    -1.10029   0.51409   
 C7149    C    0.24611    -1.13263   0.51553   
 C7150    C    0.24527    -1.11633   0.49077   
 C7151    C    0.24737    -1.11543   0.44287   
 C7152    C    0.24611    -1.05072   0.48449   
 C7153    C    0.24526    -1.06701   0.50928   
 C7154    C    0.24733    -1.06792   0.55716   
 H7155    H    0.26880    -1.13529   0.73316   
 H7156    H    0.22111    -1.10010   0.73372   
 H7157    H    0.22207    -1.09859   0.64704   
 H7158    H    0.26995    -1.13409   0.64635   
 H7159    H    0.26864    -0.99507   0.50279   
 H7160    H    0.22128    -1.01144   0.58843   
 H7161    H    0.22317    -1.04080   0.55412   
 H7162    H    0.27066    -1.02431   0.46752   
 H7163    H    0.27027    -1.18752   0.49472   
 H7164    H    0.22274    -1.17166   0.40895   
 H7165    H    0.22277    -1.14288   0.44714   
 H7166    H    0.27047    -1.15885   0.53377   
 H7167    H    0.27022    -1.04921   0.26643   
 H7168    H    0.22228    -1.08417   0.26632   
 H7169    H    0.22323    -1.08554   0.35307   
 H7170    H    0.27123    -1.05014   0.35338   
 H7171    H    0.25054    -1.08303   0.61957   
 H7172    H    0.24780    -1.04004   0.41560   
 H7173    H    0.24775    -1.14331   0.58442   
 H7174    H    0.25062    -1.10032   0.38045   
 H7175    H    0.25055    -1.05671   0.57655   
 H7176    H    0.25061    -1.12664   0.42347   
 O7177    O    0.25784    -0.97360   0.55843   
 O7178    O    0.23187    -1.11020   0.81288   
 O7179    O    0.25898    -1.12639   0.81018   
 O7180    O    0.23140    -0.98100   0.60023   
 O7181    O    0.23491    -1.20064   0.39169   
 O7182    O    0.25957    -1.20908   0.43823   
 O7183    O    0.25843    -1.05621   0.18958   
 O7184    O    0.23439    -1.07594   0.18735   
 C7185    C    0.73996    -1.17751   0.48268   
 C7186    C    0.75361    -1.18115   0.44779   
 C7187    C    0.76696    -1.16835   0.43518   
 C7188    C    0.76639    -1.15214   0.45622   
 C7189    C    0.75251    -1.14826   0.49073   
 C7190    C    0.73948    -1.16135   0.50395   
 C7191    C    0.74015    -1.05642   0.28673   
 C7192    C    0.75339    -1.06641   0.26127   
 C7193    C    0.76689    -1.07649   0.28558   
 C7194    C    0.76684    -1.07690   0.33428   
 C7195    C    0.75328    -1.06728   0.36016   
 C7196    C    0.74014    -1.05685   0.33543   
 C7197    C    0.75299    -1.06656   0.20916   
 C7198    C    0.75366    -1.19843   0.42473   
 C7199    C    0.74099    -1.12752   0.71400   
 C7200    C    0.75488    -1.11819   0.73915   
 C7201    C    0.76772    -1.10748   0.71472   
 C7202    C    0.76653    -1.10598   0.66618   
 C7203    C    0.75259    -1.11526   0.64057   
 C7204    C    0.73992    -1.12613   0.66548   
 C7205    C    0.74127    -1.00529   0.51386   
 C7206    C    0.75492    -1.00164   0.54878   
 C7207    C    0.76822    -1.01449   0.56138   
 C7208    C    0.76752    -1.03072   0.54052   
 C7209    C    0.75360    -1.03464   0.50615   
 C7210    C    0.74067    -1.02149   0.49279   
 C7211    C    0.75520    -1.11903   0.79125   
 C7212    C    0.75469    -0.98444   0.57235   
 C7213    C    0.75380    -1.05072   0.48449   
 C7214    C    0.75464    -1.06702   0.50926   
 C7215    C    0.75254    -1.06792   0.55715   
 C7216    C    0.75261    -1.05185   0.43492   
 C7217    C    0.75534    -1.08306   0.48593   
 C7218    C    0.75380    -1.13263   0.51553   
 C7219    C    0.75465    -1.11634   0.49074   
 C7220    C    0.75257    -1.11544   0.44286   
 C7221    C    0.75256    -1.13150   0.56510   
 C7222    C    0.75533    -1.10029   0.51410   
 C7223    C    0.75377    -1.11586   0.59097   
 C7224    C    0.75462    -1.10017   0.56346   
 C7225    C    0.75253    -1.08413   0.58366   
 C7226    C    0.75383    -1.06750   0.40905   
 C7227    C    0.75466    -1.08319   0.43654   
 C7228    C    0.75258    -1.09922   0.41636   
 H7229    H    0.72977    -1.18754   0.49252   
 H7230    H    0.77773    -1.17130   0.40870   
 H7231    H    0.77679    -1.14235   0.44584   
 H7232    H    0.72876    -1.15876   0.53082   
 H7233    H    0.72985    -1.04855   0.26761   
 H7234    H    0.77729    -1.08399   0.26571   
 H7235    H    0.77734    -1.08485   0.35256   
 H7236    H    0.72969    -1.04912   0.35458   
 H7237    H    0.73103    -1.13573   0.73312   
 H7238    H    0.77836    -1.10013   0.73437   
 H7239    H    0.77651    -1.09749   0.64789   
 H7240    H    0.72904    -1.13346   0.64660   
 H7241    H    0.73110    -0.99527   0.50399   
 H7242    H    0.77880    -1.01167   0.58846   
 H7243    H    0.77780    -1.04057   0.55129   
 H7244    H    0.72991    -1.02408   0.46597   
 H7245    H    0.75215    -1.04004   0.41561   
 H7246    H    0.74935    -1.12664   0.42348   
 H7247    H    0.74930    -1.05671   0.57655   
 H7248    H    0.75210    -1.14331   0.58442   
 H7249    H    0.74937    -1.10032   0.38045   
 H7250    H    0.74929    -1.08303   0.61958   
 O7251    O    0.76568    -1.20097   0.39182   
 O7252    O    0.74160    -1.20943   0.44009   
 O7253    O    0.74048    -1.05702   0.18961   
 O7254    O    0.76511    -1.07615   0.18820   
 O7255    O    0.74081    -0.97445   0.56169   
 O7256    O    0.74193    -1.12781   0.81063   
 O7257    O    0.76837    -1.11070   0.81251   
 O7258    O    0.76790    -0.98111   0.60178   
 H7259    H    0.70015    -1.24770   0.35749   
 O7260    O    0.71396    -1.24830   0.35391   
 H7261    H    0.22848    -1.22867   0.44307   
 O7262    O    0.23400    -1.23443   0.41632   
 H7263    H    0.79613    -0.97098   0.59131   
 H7264    H    0.80049    -0.95094   0.59497   
 H7265    H    0.79964    -0.93406   0.53500   
 O7266    O    0.79935    -0.93242   0.56843   
 O7267    O    0.79909    -0.96201   0.61371   
 H7268    H    0.47166    -0.98146   0.43649   
 O7269    O    0.47996    -0.98676   0.41354   
 H7270    H    0.52820    -1.03199   0.40049   
 O7271    O    0.52014    -1.02339   0.38587   
 H7272    H    0.51355    -1.19358   0.49320   
 H7273    H    0.50024    -1.20646   0.52176   
 H7274    H    0.51056    -1.23092   0.54766   
 O7275    O    0.49966    -1.22361   0.55448   
 O7276    O    0.50074    -1.19467   0.50627   
 H7277    H    0.51072    -0.95241   0.45223   
 H7278    H    0.50034    -0.97683   0.47822   
 H7279    H    0.51362    -0.98969   0.50677   
 O7280    O    0.50080    -0.98861   0.49372   
 O7281    O    0.49980    -0.95968   0.44542   
 H7282    H    0.49968    -1.13607   0.58692   
 H7283    H    0.48918    -1.14569   0.52100   
 H7284    H    0.48651    -1.12546   0.62188   
 O7285    O    0.50017    -1.14819   0.54051   
 O7286    O    0.49929    -1.13033   0.61884   
 H7287    H    0.47154    -1.20189   0.56352   
 O7288    O    0.47984    -1.19658   0.58640   
 H7289    H    0.52814    -1.15128   0.59942   
 O7290    O    0.52007    -1.15988   0.61404   
 H7291    H    0.48658    -1.05785   0.37809   
 H7292    H    0.48926    -1.03760   0.47895   
 H7293    H    0.49976    -1.04723   0.41305   
 O7294    O    0.49937    -1.05298   0.38116   
 O7295    O    0.50026    -1.03510   0.45946   
 Zr7296   Zr   0.26807    -0.94793   0.58473   
 Zr7297   Zr   0.73176    -0.94794   0.58469   
 Zr7298   Zr   0.46384    -1.00000   0.35013   
 Zr7299   Zr   0.49954    -1.17392   0.56467   
 Zr7300   Zr   0.49961    -1.00939   0.43528   
 O7301    O    0.27600    -0.93516   0.64542   
 O7302    O    0.74296    -1.22729   0.35172   
 O7303    O    0.76069    -0.94499   0.60121   
 O7304    O    0.25833    -1.22763   0.35019   
 O7305    O    0.51523    -1.19258   0.60470   
 O7306    O    0.48456    -1.16661   0.62456   
 O7307    O    0.48463    -1.01674   0.37541   
 O7308    O    0.51534    -0.99069   0.39520   
 H7309    H    0.18962    -0.25789   0.42663   
 H7310    H    0.19907    -0.23273   0.40396   
 H7311    H    0.19013    -0.22334   0.35978   
 O7312    O    0.19999    -0.22205   0.38348   
 O7313    O    0.20078    -0.25082   0.43253   
 C7314    C    -0.17702   -0.42705   0.49128   
 C7315    C    -0.18243   -0.41545   0.52662   
 C7316    C    -0.17389   -0.39904   0.52778   
 C7317    C    -0.16039   -0.39426   0.49402   
 C7318    C    -0.15489   -0.40579   0.45830   
 C7319    C    -0.16341   -0.42231   0.45781   
 C7320    C    -0.17676   -0.30470   0.29164   
 C7321    C    -0.18243   -0.29892   0.33614   
 C7322    C    -0.17320   -0.30577   0.37574   
 C7323    C    -0.15907   -0.31841   0.37105   
 C7324    C    -0.15357   -0.32457   0.32656   
 C7325    C    -0.16251   -0.31725   0.28699   
 C7326    C    -0.19780   -0.42030   0.56066   
 C7327    C    -0.19836   -0.28603   0.34032   
 C7328    C    -0.08226   -0.33118   0.17610   
 C7329    C    -0.06284   -0.33237   0.18978   
 C7330    C    -0.05849   -0.33771   0.23553   
 C7331    C    -0.07321   -0.34211   0.26648   
 C7332    C    -0.09272   -0.34138   0.25268   
 C7333    C    -0.09694   -0.33556   0.20713   
 C7334    C    -0.08177   -0.45213   0.37293   
 C7335    C    -0.06246   -0.44694   0.37747   
 C7336    C    -0.05834   -0.42947   0.38580   
 C7337    C    -0.07318   -0.41740   0.38840   
 C7338    C    -0.09260   -0.42244   0.38295   
 C7339    C    -0.09660   -0.44007   0.37583   
 C7340    C    -0.04673   -0.45998   0.37321   
 C7341    C    -0.04704   -0.32835   0.15618   
 C7342    C    -0.13880   -0.33670   0.32268   
 C7343    C    -0.13781   -0.35250   0.34967   
 C7344    C    -0.15307   -0.35803   0.37676   
 C7345    C    -0.12366   -0.33412   0.28978   
 C7346    C    -0.12231   -0.36424   0.34573   
 C7347    C    -0.10736   -0.41022   0.39144   
 C7348    C    -0.10750   -0.39374   0.36751   
 C7349    C    -0.09434   -0.38989   0.33287   
 C7350    C    -0.12370   -0.41377   0.41998   
 C7351    C    -0.12232   -0.38147   0.37389   
 C7352    C    -0.13884   -0.40184   0.42916   
 C7353    C    -0.13783   -0.38566   0.40387   
 C7354    C    -0.15308   -0.37424   0.40327   
 C7355    C    -0.10732   -0.34509   0.28496   
 C7356    C    -0.10748   -0.36059   0.31331   
 C7357    C    -0.09433   -0.37368   0.30637   
 H7358    H    -0.18375   -0.43969   0.49042   
 H7359    H    -0.17827   -0.39003   0.55495   
 H7360    H    -0.15406   -0.38142   0.49528   
 H7361    H    -0.15941   -0.43147   0.43068   
 H7362    H    -0.18383   -0.29928   0.26111   
 H7363    H    -0.17762   -0.30130   0.41022   
 H7364    H    -0.15229   -0.32371   0.40224   
 H7365    H    -0.15839   -0.32162   0.25218   
 H7366    H    -0.08551   -0.32690   0.14074   
 H7367    H    -0.04347   -0.33837   0.24620   
 H7368    H    -0.06958   -0.34632   0.30173   
 H7369    H    -0.11190   -0.33463   0.19583   
 H7370    H    -0.08484   -0.46570   0.36682   
 H7371    H    -0.04338   -0.42557   0.39015   
 H7372    H    -0.06970   -0.40392   0.39464   
 H7373    H    -0.11149   -0.44428   0.37198   
 H7374    H    -0.12389   -0.32250   0.26964   
 H7375    H    -0.08441   -0.39931   0.32150   
 H7376    H    -0.16621   -0.35119   0.37653   
 H7377    H    -0.12394   -0.42576   0.43845   
 H7378    H    -0.08440   -0.37299   0.27847   
 H7379    H    -0.16622   -0.37751   0.41956   
 O7380    O    -0.20703   -0.28206   0.30260   
 O7381    O    -0.20596   -0.43479   0.55435   
 O7382    O    -0.20189   -0.40955   0.59282   
 O7383    O    -0.20241   -0.28026   0.38073   
 O7384    O    -0.02977   -0.33007   0.17048   
 O7385    O    -0.05210   -0.32350   0.11555   
 O7386    O    -0.05195   -0.47557   0.36778   
 O7387    O    -0.02939   -0.45466   0.37535   
 C7388    C    0.17685    -0.42689   0.49115   
 C7389    C    0.18254    -0.41512   0.52586   
 C7390    C    0.17339    -0.39898   0.52793   
 C7391    C    0.15928    -0.39454   0.49541   
 C7392    C    0.15376    -0.40615   0.45981   
 C7393    C    0.16267    -0.42247   0.45882   
 C7394    C    0.17672    -0.30463   0.29092   
 C7395    C    0.18216    -0.29858   0.33532   
 C7396    C    0.17349    -0.30585   0.37511   
 C7397    C    0.15997    -0.31906   0.37060   
 C7398    C    0.15453    -0.32532   0.32624   
 C7399    C    0.16310    -0.31774   0.28649   
 C7400    C    0.19838    -0.41985   0.55889   
 C7401    C    0.19761    -0.28528   0.33971   
 C7402    C    0.08190    -0.33011   0.17764   
 C7403    C    0.06255    -0.33096   0.19205   
 C7404    C    0.05841    -0.33648   0.23774   
 C7405    C    0.07319    -0.34145   0.26788   
 C7406    C    0.09264    -0.34098   0.25340   
 C7407    C    0.09667    -0.33498   0.20793   
 C7408    C    0.08205    -0.45238   0.37782   
 C7409    C    0.06273    -0.44733   0.38337   
 C7410    C    0.05851    -0.42977   0.38984   
 C7411    C    0.07325    -0.41753   0.38996   
 C7412    C    0.09269    -0.42245   0.38405   
 C7413    C    0.09676    -0.44014   0.37833   
 C7414    C    0.04692    -0.32638   0.15833   
 C7415    C    0.04700    -0.46043   0.37988   
 C7416    C    0.10737    -0.34509   0.28496   
 C7417    C    0.10750    -0.36059   0.31328   
 C7418    C    0.09437    -0.37368   0.30636   
 C7419    C    0.12370    -0.33413   0.28977   
 C7420    C    0.12232    -0.36423   0.34574   
 C7421    C    0.13878    -0.40184   0.42916   
 C7422    C    0.13781    -0.38566   0.40385   
 C7423    C    0.15304    -0.37424   0.40325   
 C7424    C    0.12367    -0.41377   0.41999   
 C7425    C    0.12230    -0.38147   0.37389   
 C7426    C    0.10733    -0.41022   0.39144   
 C7427    C    0.10749    -0.39375   0.36748   
 C7428    C    0.09436    -0.38990   0.33286   
 C7429    C    0.13882    -0.33670   0.32268   
 C7430    C    0.13783    -0.35251   0.34965   
 C7431    C    0.15305    -0.35803   0.37675   
 H7432    H    0.18390    -0.43941   0.48980   
 H7433    H    0.17785    -0.38987   0.55484   
 H7434    H    0.15255    -0.38188   0.49733   
 H7435    H    0.15853    -0.43174   0.43204   
 H7436    H    0.18350    -0.29900   0.26026   
 H7437    H    0.17784    -0.30124   0.40947   
 H7438    H    0.15360    -0.32464   0.40193   
 H7439    H    0.15912    -0.32228   0.25179   
 H7440    H    0.08505    -0.32575   0.14233   
 H7441    H    0.04342    -0.33715   0.24879   
 H7442    H    0.06963    -0.34589   0.30293   
 H7443    H    0.11158    -0.33432   0.19600   
 H7444    H    0.08522    -0.46597   0.37270   
 H7445    H    0.04355    -0.42588   0.39374   
 H7446    H    0.06966    -0.40398   0.39450   
 H7447    H    0.11165    -0.44431   0.37389   
 H7448    H    0.16618    -0.37751   0.41955   
 H7449    H    0.12393    -0.32250   0.26964   
 H7450    H    0.12388    -0.42577   0.43845   
 H7451    H    0.08445    -0.37299   0.27848   
 H7452    H    0.16619    -0.35119   0.37652   
 H7453    H    0.08444    -0.39931   0.32151   
 O7454    O    0.20587    -0.28061   0.30205   
 O7455    O    0.20239    -0.40938   0.59167   
 O7456    O    0.20700    -0.43404   0.55091   
 O7457    O    0.20172    -0.27986   0.38052   
 O7458    O    0.05206    -0.47573   0.36970   
 O7459    O    0.02965    -0.32625   0.17321   
 O7460    O    0.05214    -0.32327   0.11651   
 O7461    O    0.02976    -0.45534   0.38633   
 H7462    H    -0.23536   -0.41280   0.54810   
 O7463    O    -0.23923   -0.41822   0.57700   
 H7464    H    -0.19016   -0.25935   0.41878   
 H7465    H    -0.19911   -0.24054   0.41691   
 H7466    H    -0.18963   -0.22136   0.36728   
 O7467    O    -0.20082   -0.22278   0.38692   
 O7468    O    -0.20001   -0.25221   0.43288   
 H7469    H    -0.29975   -0.47057   0.59446   
 H7470    H    -0.30067   -0.44314   0.58199   
 H7471    H    -0.29632   -0.43498   0.53231   
 O7472    O    -0.29927   -0.43185   0.56425   
 O7473    O    -0.29950   -0.46046   0.61402   
 H7474    H    -0.23650   -0.29319   0.35061   
 O7475    O    -0.24070   -0.28132   0.35067   
 H7476    H    0.23643    -0.41313   0.54662   
 O7477    O    0.24061    -0.41864   0.57513   
 H7478    H    0.23529    -0.29288   0.35199   
 O7479    O    0.23916    -0.28092   0.35249   
 Zr7480   Zr   -0.22633   -0.40837   0.64655   
 Zr7481   Zr   -0.27333   -0.27538   0.35203   
 Zr7482   Zr   0.27326    -0.42092   0.59009   
 Zr7483   Zr   0.22623    -0.26283   0.40848   
 Zr7484   Zr   0.00045    -0.46852   0.37567   
 Zr7485   Zr   0.03629    -0.49993   0.35006   
 O7486    O    -0.26084   -0.44388   0.59934   
 O7487    O    0.22381    -0.43406   0.64351   
 C7488    C    -0.24139   -0.62738   0.71385   
 C7489    C    -0.25506   -0.61773   0.73898   
 C7490    C    -0.26834   -0.60757   0.71415   
 C7491    C    -0.26767   -0.60672   0.66550   
 C7492    C    -0.25373   -0.61608   0.64001   
 C7493    C    -0.24081   -0.62658   0.66519   
 C7494    C    -0.24132   -0.50517   0.51337   
 C7495    C    -0.25521   -0.50136   0.54765   
 C7496    C    -0.26807   -0.51437   0.56163   
 C7497    C    -0.26687   -0.53086   0.54241   
 C7498    C    -0.25287   -0.53485   0.50827   
 C7499    C    -0.24024   -0.52161   0.49396   
 C7500    C    -0.25487   -0.61819   0.79122   
 C7501    C    -0.25546   -0.48402   0.57024   
 C7502    C    -0.24004   -0.67761   0.48469   
 C7503    C    -0.25333   -0.68131   0.44899   
 C7504    C    -0.26682   -0.66866   0.43608   
 C7505    C    -0.26673   -0.65257   0.45774   
 C7506    C    -0.25314   -0.64858   0.49279   
 C7507    C    -0.24002   -0.66152   0.50630   
 C7508    C    -0.23997   -0.55709   0.28590   
 C7509    C    -0.25361   -0.56682   0.26094   
 C7510    C    -0.26696   -0.57691   0.28579   
 C7511    C    -0.26638   -0.57759   0.33445   
 C7512    C    -0.25248   -0.56812   0.35978   
 C7513    C    -0.23950   -0.55768   0.33458   
 C7514    C    -0.25363   -0.56633   0.20874   
 C7515    C    -0.25296   -0.69826   0.42444   
 C7516    C    -0.25386   -0.56749   0.40905   
 C7517    C    -0.25471   -0.58318   0.43657   
 C7518    C    -0.25262   -0.59922   0.41637   
 C7519    C    -0.25267   -0.55186   0.43490   
 C7520    C    -0.25542   -0.58306   0.48593   
 C7521    C    -0.25392   -0.61586   0.59098   
 C7522    C    -0.25476   -0.60017   0.56348   
 C7523    C    -0.25267   -0.58413   0.58366   
 C7524    C    -0.25269   -0.63150   0.56512   
 C7525    C    -0.25543   -0.60029   0.51409   
 C7526    C    -0.25389   -0.63263   0.51553   
 C7527    C    -0.25473   -0.61633   0.49077   
 C7528    C    -0.25263   -0.61543   0.44287   
 C7529    C    -0.25389   -0.55072   0.48449   
 C7530    C    -0.25474   -0.56701   0.50928   
 C7531    C    -0.25267   -0.56792   0.55716   
 H7532    H    -0.23120   -0.63529   0.73316   
 H7533    H    -0.27889   -0.60010   0.73372   
 H7534    H    -0.27793   -0.59859   0.64704   
 H7535    H    -0.23005   -0.63409   0.64635   
 H7536    H    -0.23136   -0.49507   0.50279   
 H7537    H    -0.27872   -0.51144   0.58843   
 H7538    H    -0.27683   -0.54080   0.55412   
 H7539    H    -0.22934   -0.52431   0.46752   
 H7540    H    -0.22973   -0.68752   0.49472   
 H7541    H    -0.27726   -0.67166   0.40895   
 H7542    H    -0.27723   -0.64288   0.44714   
 H7543    H    -0.22953   -0.65885   0.53377   
 H7544    H    -0.22978   -0.54921   0.26643   
 H7545    H    -0.27772   -0.58417   0.26632   
 H7546    H    -0.27677   -0.58554   0.35307   
 H7547    H    -0.22877   -0.55014   0.35338   
 H7548    H    -0.24946   -0.58303   0.61957   
 H7549    H    -0.25220   -0.54004   0.41560   
 H7550    H    -0.25225   -0.64331   0.58442   
 H7551    H    -0.24938   -0.60032   0.38045   
 H7552    H    -0.24945   -0.55671   0.57655   
 H7553    H    -0.24939   -0.62664   0.42347   
 O7554    O    -0.24216   -0.47360   0.55843   
 O7555    O    -0.26813   -0.61020   0.81288   
 O7556    O    -0.24102   -0.62639   0.81018   
 O7557    O    -0.26860   -0.48100   0.60023   
 O7558    O    -0.26509   -0.70064   0.39169   
 O7559    O    -0.24043   -0.70908   0.43823   
 O7560    O    -0.24157   -0.55621   0.18958   
 O7561    O    -0.26561   -0.57594   0.18735   
 C7562    C    0.23996    -0.67751   0.48268   
 C7563    C    0.25361    -0.68115   0.44779   
 C7564    C    0.26696    -0.66835   0.43518   
 C7565    C    0.26639    -0.65214   0.45622   
 C7566    C    0.25251    -0.64826   0.49073   
 C7567    C    0.23948    -0.66135   0.50395   
 C7568    C    0.24015    -0.55642   0.28673   
 C7569    C    0.25339    -0.56641   0.26127   
 C7570    C    0.26689    -0.57649   0.28558   
 C7571    C    0.26684    -0.57690   0.33428   
 C7572    C    0.25328    -0.56728   0.36016   
 C7573    C    0.24014    -0.55685   0.33543   
 C7574    C    0.25299    -0.56656   0.20916   
 C7575    C    0.25366    -0.69843   0.42473   
 C7576    C    0.24099    -0.62752   0.71400   
 C7577    C    0.25488    -0.61819   0.73915   
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 Zr7674   Zr   0.23176    -0.44794   0.58469   
 Zr7675   Zr   -0.03616   -0.50000   0.35013   
 Zr7676   Zr   -0.00046   -0.67392   0.56467   
 Zr7677   Zr   -0.00039   -0.50939   0.43528   
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 O7682    O    0.01523    -0.69258   0.60470   
 O7683    O    -0.01544   -0.66661   0.62456   
 O7684    O    -0.01537   -0.51674   0.37541   
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 C7688    C    0.17455    -0.87661   0.62522   
 C7689    C    0.15992    -0.86439   0.62943   
 C7690    C    0.15401    -0.85835   0.67368   
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 C7692    C    0.17816    -0.75695   0.51140   
 C7693    C    0.18383    -0.76880   0.47691   
 C7694    C    0.17461    -0.78491   0.47468   
 C7695    C    0.16035    -0.78922   0.50699   
 C7696    C    0.15482    -0.77754   0.54230   
 C7697    C    0.16380    -0.76124   0.54345   
 C7698    C    0.19953    -0.76412   0.44354   
 C7699    C    0.19984    -0.89575   0.66056   
 C7700    C    0.08181    -0.73094   0.62282   
 C7701    C    0.06249    -0.73595   0.61713   
 C7702    C    0.05819    -0.75349   0.61084   
 C7703    C    0.07288    -0.76578   0.61087   
 C7704    C    0.09232    -0.76089   0.61672   
 C7705    C    0.09648    -0.74321   0.62242   
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 C7710    C    0.09260    -0.84253   0.74651   
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 C7715    C    0.13774    -0.79770   0.59615   
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 C7722    C    0.12357    -0.84923   0.71024   
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 C7724    C    0.13871    -0.84665   0.67734   
 C7725    C    0.13772    -0.83085   0.65035   
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 C7727    C    0.10726    -0.77313   0.60858   
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 C7729    C    0.09425    -0.79346   0.66715   
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 H7737    H    0.15964    -0.75195   0.57009   
 H7738    H    0.08502    -0.71735   0.62791   
 H7739    H    0.04320    -0.75734   0.60691   
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 H7742    H    0.08481    -0.85769   0.85758   
 H7743    H    0.04336    -0.84628   0.75067   
 H7744    H    0.06970    -0.83763   0.69678   
 H7745    H    0.11144    -0.84923   0.80410   
 H7746    H    0.12385    -0.75759   0.56157   
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 O7758    O    0.02957    -0.72789   0.61366   
 O7759    O    0.02943    -0.85701   0.82655   
 C7760    C    -0.17832   -0.87730   0.70848   
 C7761    C    -0.18399   -0.88308   0.66399   
 C7762    C    -0.17478   -0.87628   0.62436   
 C7763    C    -0.16051   -0.86372   0.62899   
 C7764    C    -0.15495   -0.85762   0.67349   
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 C7766    C    -0.17759   -0.75643   0.51156   
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 Zr8042   Zr   -0.49955   0.03148    0.37567   
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 C8063    C    -0.76673   -0.15257   0.45774   
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 C8066    C    -0.73997   -0.05709   0.28590   
 C8067    C    -0.75361   -0.06682   0.26094   
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 O8237    O    -0.25704   -0.22729   0.35172   
 O8238    O    -0.23931   0.05501    0.60121   
 O8239    O    -0.74167   -0.22763   0.35019   
 O8240    O    -0.48477   -0.19258   0.60470   
 O8241    O    -0.51544   -0.16661   0.62456   
 O8242    O    -0.51537   -0.01674   0.37541   
 O8243    O    -0.48466   0.00931    0.39520   
 C8244    C    -0.32246   -0.37761   0.70953   
 C8245    C    -0.31632   -0.38322   0.66524   
 C8246    C    -0.32545   -0.37661   0.62522   
 C8247    C    -0.34008   -0.36439   0.62943   
 C8248    C    -0.34599   -0.35835   0.67368   
 C8249    C    -0.33709   -0.36542   0.71363   
 C8250    C    -0.32184   -0.25695   0.51140   
 C8251    C    -0.31617   -0.26880   0.47691   
 C8252    C    -0.32539   -0.28491   0.47468   
 C8253    C    -0.33965   -0.28922   0.50699   
 C8254    C    -0.34518   -0.27754   0.54230   
 C8255    C    -0.33620   -0.26124   0.54345   
 C8256    C    -0.30047   -0.26412   0.44354   
 C8257    C    -0.30016   -0.39575   0.66056   
 C8258    C    -0.41819   -0.23094   0.62282   
 C8259    C    -0.43751   -0.23595   0.61713   
 C8260    C    -0.44181   -0.25349   0.61084   
 C8261    C    -0.42712   -0.26578   0.61087   
 C8262    C    -0.40768   -0.26089   0.61672   
 C8263    C    -0.40352   -0.24321   0.62242   
 C8264    C    -0.41827   -0.35334   0.82223   
 C8265    C    -0.43760   -0.35245   0.80772   
 C8266    C    -0.44166   -0.34698   0.76191   
 C8267    C    -0.42682   -0.34206   0.73191   
 C8268    C    -0.40740   -0.34253   0.74651   
 C8269    C    -0.40342   -0.34853   0.79205   
 C8270    C    -0.45318   -0.22283   0.62023   
 C8271    C    -0.45331   -0.35691   0.84141   
 C8272    C    -0.36126   -0.28152   0.57086   
 C8273    C    -0.36226   -0.29770   0.59615   
 C8274    C    -0.34701   -0.30911   0.59676   
 C8275    C    -0.37639   -0.26958   0.58004   
 C8276    C    -0.37777   -0.30189   0.62613   
 C8277    C    -0.39277   -0.33826   0.71506   
 C8278    C    -0.39261   -0.32276   0.68671   
 C8279    C    -0.40576   -0.30967   0.69365   
 C8280    C    -0.37643   -0.34923   0.71024   
 C8281    C    -0.37778   -0.31912   0.65430   
 C8282    C    -0.36129   -0.34665   0.67734   
 C8283    C    -0.36228   -0.33085   0.65035   
 C8284    C    -0.34702   -0.32532   0.62326   
 C8285    C    -0.39274   -0.27313   0.60858   
 C8286    C    -0.39260   -0.28961   0.63251   
 C8287    C    -0.40575   -0.29346   0.66715   
 H8288    H    -0.31542   -0.38290   0.74036   
 H8289    H    -0.32087   -0.38117   0.59107   
 H8290    H    -0.34694   -0.35933   0.59803   
 H8291    H    -0.34158   -0.36117   0.74823   
 H8292    H    -0.31473   -0.24446   0.51265   
 H8293    H    -0.32120   -0.29391   0.44739   
 H8294    H    -0.34657   -0.30179   0.50485   
 H8295    H    -0.34036   -0.25195   0.57009   
 H8296    H    -0.41498   -0.21735   0.62791   
 H8297    H    -0.45680   -0.25734   0.60691   
 H8298    H    -0.43075   -0.27934   0.60637   
 H8299    H    -0.38865   -0.23907   0.62694   
 H8300    H    -0.41519   -0.35769   0.85758   
 H8301    H    -0.45664   -0.34628   0.75067   
 H8302    H    -0.43030   -0.33763   0.69678   
 H8303    H    -0.38856   -0.34923   0.80410   
 H8304    H    -0.37615   -0.25759   0.56157   
 H8305    H    -0.41569   -0.31036   0.72155   
 H8306    H    -0.33387   -0.30584   0.58047   
 H8307    H    -0.37620   -0.36085   0.73038   
 H8308    H    -0.41568   -0.28404   0.67852   
 H8309    H    -0.33388   -0.33216   0.62349   
 O8310    O    -0.29502   -0.40000   0.61941   
 O8311    O    -0.29271   -0.40125   0.69831   
 O8312    O    -0.29361   -0.24897   0.44700   
 O8313    O    -0.29510   -0.27550   0.41422   
 O8314    O    -0.44811   -0.35997   0.88328   
 O8315    O    -0.44809   -0.20752   0.63024   
 O8316    O    -0.47043   -0.22789   0.61366   
 O8317    O    -0.47057   -0.35701   0.82655   
 C8318    C    -0.67832   -0.37730   0.70848   
 C8319    C    -0.68399   -0.38308   0.66399   
 C8320    C    -0.67478   -0.37628   0.62436   
 C8321    C    -0.66051   -0.36372   0.62899   
 C8322    C    -0.65495   -0.35762   0.67349   
 C8323    C    -0.66397   -0.36484   0.71313   
 C8324    C    -0.67759   -0.25643   0.51156   
 C8325    C    -0.68375   -0.26831   0.47761   
 C8326    C    -0.67461   -0.28443   0.47474   
 C8327    C    -0.65994   -0.28874   0.50591   
 C8328    C    -0.65400   -0.27708   0.54096   
 C8329    C    -0.66291   -0.26077   0.54266   
 C8330    C    -0.69994   -0.26403   0.44540   
 C8331    C    -0.69966   -0.39619   0.65967   
 C8332    C    -0.58191   -0.23138   0.62736   
 C8333    C    -0.56259   -0.23651   0.62278   
 C8334    C    -0.55846   -0.25397   0.61446   
 C8335    C    -0.57329   -0.26608   0.61186   
 C8336    C    -0.59273   -0.26108   0.61726   
 C8337    C    -0.59673   -0.24346   0.62443   
 C8338    C    -0.58251   -0.35234   0.82385   
 C8339    C    -0.56311   -0.35106   0.81018   
 C8340    C    -0.55872   -0.34574   0.76446   
 C8341    C    -0.57343   -0.34140   0.73345   
 C8342    C    -0.59295   -0.34221   0.74717   
 C8343    C    -0.59719   -0.34802   0.79271   
 C8344    C    -0.54730   -0.35502   0.84384   
 C8345    C    -0.54686   -0.22344   0.62693   
 C8346    C    -0.60743   -0.27313   0.60858   
 C8347    C    -0.60758   -0.28960   0.63254   
 C8348    C    -0.59445   -0.29346   0.66716   
 C8349    C    -0.62375   -0.26958   0.58005   
 C8350    C    -0.62240   -0.30189   0.62612   
 C8351    C    -0.63891   -0.34665   0.67734   
 C8352    C    -0.63792   -0.33085   0.65037   
 C8353    C    -0.65314   -0.32532   0.62328   
 C8354    C    -0.62380   -0.34923   0.71023   
 C8355    C    -0.62240   -0.31912   0.65430   
 C8356    C    -0.60746   -0.33826   0.71506   
 C8357    C    -0.60759   -0.32276   0.68674   
 C8358    C    -0.59446   -0.30967   0.69366   
 C8359    C    -0.63888   -0.28152   0.57086   
 C8360    C    -0.63790   -0.29769   0.59617   
 C8361    C    -0.65313   -0.30911   0.59678   
 H8362    H    -0.68542   -0.38272   0.73902   
 H8363    H    -0.67897   -0.38099   0.58998   
 H8364    H    -0.65360   -0.35855   0.59785   
 H8365    H    -0.65981   -0.36049   0.74789   
 H8366    H    -0.68464   -0.24394   0.51325   
 H8367    H    -0.67924   -0.29347   0.44795   
 H8368    H    -0.65309   -0.30131   0.50340   
 H8369    H    -0.65841   -0.25145   0.56897   
 H8370    H    -0.58500   -0.21781   0.63345   
 H8371    H    -0.54350   -0.25788   0.61010   
 H8372    H    -0.56981   -0.27956   0.60561   
 H8373    H    -0.61161   -0.23923   0.62826   
 H8374    H    -0.58576   -0.35661   0.85917   
 H8375    H    -0.54369   -0.34502   0.75386   
 H8376    H    -0.56979   -0.33721   0.69823   
 H8377    H    -0.61215   -0.34898   0.80400   
 H8378    H    -0.62397   -0.25759   0.56157   
 H8379    H    -0.66628   -0.33216   0.62350   
 H8380    H    -0.58453   -0.28404   0.67852   
 H8381    H    -0.62402   -0.36085   0.73039   
 H8382    H    -0.66627   -0.30584   0.58048   
 H8383    H    -0.58454   -0.31036   0.72154   
 O8384    O    -0.70498   -0.40051   0.61874   
 O8385    O    -0.70649   -0.40216   0.69764   
 O8386    O    -0.70742   -0.24916   0.44983   
 O8387    O    -0.70511   -0.27548   0.41607   
 O8388    O    -0.52952   -0.22871   0.62469   
 O8389    O    -0.55210   -0.20783   0.63227   
 O8390    O    -0.55238   -0.35987   0.88445   
 O8391    O    -0.53003   -0.35326   0.82958   
 H8392    H    -0.25452   -0.29601   0.41881   
 H8393    H    -0.23482   -0.28885   0.47368   
 H8394    H    -0.27711   -0.29709   0.42669   
 O8395    O    -0.23403   -0.28949   0.44005   
 O8396    O    -0.26735   -0.29824   0.40269   
 H8397    H    -0.22852   -0.22963   0.44473   
 O8398    O    -0.23403   -0.23569   0.41850   
 H8399    H    -0.23640   -0.37557   0.62159   
 H8400    H    -0.27602   -0.38598   0.56503   
 H8401    H    -0.24580   -0.38720   0.58212   
 O8402    O    -0.23337   -0.38466   0.59958   
 O8403    O    -0.26581   -0.39413   0.55908   
 H8404    H    -0.75428   -0.29367   0.42933   
 H8405    H    -0.72406   -0.29982   0.42432   
 H8406    H    -0.76371   -0.28622   0.47557   
 O8407    O    -0.73427   -0.29795   0.40201   
 O8408    O    -0.76673   -0.28916   0.44351   
 H8409    H    -0.70015   -0.24864   0.35923   
 O8410    O    -0.71395   -0.24956   0.35614   
 H8411    H    -0.72300   -0.38644   0.57273   
 H8412    H    -0.76531   -0.37500   0.61442   
 H8413    H    -0.74558   -0.38953   0.57163   
 O8414    O    -0.73277   -0.39373   0.55880   
 O8415    O    -0.76610   -0.38566   0.59719   
 Zr8416   Zr   -0.26809   -0.23555   0.41514   
 Zr8417   Zr   -0.22886   -0.26496   0.41047   
 Zr8418   Zr   -0.27161   -0.41813   0.59098   
 Zr8419   Zr   -0.73193   -0.23554   0.41518   
 Zr8420   Zr   -0.72847   -0.27634   0.35929   
 Zr8421   Zr   -0.77125   -0.40675   0.64218   
 Zr8422   Zr   -0.49968   -0.21477   0.62426   
 O8423    O    -0.25832   -0.26044   0.40381   
 O8424    O    -0.74296   -0.26010   0.40535   
 H8425    H    -0.81038   0.74211    0.42663   
 H8426    H    -0.80093   0.76727    0.40396   
 H8427    H    -0.80987   0.77666    0.35978   
 O8428    O    -0.80001   0.77795    0.38348   
 O8429    O    -0.79922   0.74918    0.43253   
 C8430    C    -1.17702   0.57295    0.49128   
 C8431    C    -1.18243   0.58455    0.52662   
 C8432    C    -1.17389   0.60096    0.52778   
 C8433    C    -1.16039   0.60574    0.49402   
 C8434    C    -1.15489   0.59421    0.45830   
 C8435    C    -1.16341   0.57769    0.45781   
 C8436    C    -1.17676   0.69530    0.29164   
 C8437    C    -1.18243   0.70108    0.33614   
 C8438    C    -1.17320   0.69423    0.37574   
 C8439    C    -1.15907   0.68159    0.37105   
 C8440    C    -1.15357   0.67543    0.32656   
 C8441    C    -1.16251   0.68275    0.28699   
 C8442    C    -1.19780   0.57970    0.56066   
 C8443    C    -1.19836   0.71397    0.34032   
 C8444    C    -1.08226   0.66882    0.17610   
 C8445    C    -1.06284   0.66763    0.18978   
 C8446    C    -1.05849   0.66229    0.23553   
 C8447    C    -1.07321   0.65789    0.26648   
 C8448    C    -1.09272   0.65862    0.25268   
 C8449    C    -1.09694   0.66444    0.20713   
 C8450    C    -1.08177   0.54787    0.37293   
 C8451    C    -1.06246   0.55306    0.37747   
 C8452    C    -1.05834   0.57053    0.38580   
 C8453    C    -1.07318   0.58260    0.38840   
 C8454    C    -1.09260   0.57756    0.38295   
 C8455    C    -1.09660   0.55993    0.37583   
 C8456    C    -1.04673   0.54002    0.37321   
 C8457    C    -1.04704   0.67165    0.15618   
 C8458    C    -1.13880   0.66330    0.32268   
 C8459    C    -1.13781   0.64750    0.34967   
 C8460    C    -1.15307   0.64197    0.37676   
 C8461    C    -1.12366   0.66588    0.28978   
 C8462    C    -1.12231   0.63576    0.34573   
 C8463    C    -1.10736   0.58978    0.39144   
 C8464    C    -1.10750   0.60626    0.36751   
 C8465    C    -1.09434   0.61011    0.33287   
 C8466    C    -1.12370   0.58623    0.41998   
 C8467    C    -1.12232   0.61853    0.37389   
 C8468    C    -1.13884   0.59816    0.42916   
 C8469    C    -1.13783   0.61434    0.40387   
 C8470    C    -1.15308   0.62576    0.40327   
 C8471    C    -1.10732   0.65491    0.28496   
 C8472    C    -1.10748   0.63941    0.31331   
 C8473    C    -1.09433   0.62632    0.30637   
 H8474    H    -1.18375   0.56031    0.49042   
 H8475    H    -1.17827   0.60997    0.55495   
 H8476    H    -1.15406   0.61858    0.49528   
 H8477    H    -1.15941   0.56853    0.43068   
 H8478    H    -1.18383   0.70072    0.26111   
 H8479    H    -1.17762   0.69870    0.41022   
 H8480    H    -1.15229   0.67629    0.40224   
 H8481    H    -1.15839   0.67838    0.25218   
 H8482    H    -1.08551   0.67310    0.14074   
 H8483    H    -1.04347   0.66163    0.24620   
 H8484    H    -1.06958   0.65368    0.30173   
 H8485    H    -1.11190   0.66537    0.19583   
 H8486    H    -1.08484   0.53430    0.36682   
 H8487    H    -1.04338   0.57443    0.39015   
 H8488    H    -1.06970   0.59608    0.39464   
 H8489    H    -1.11149   0.55572    0.37198   
 H8490    H    -1.12389   0.67750    0.26964   
 H8491    H    -1.08441   0.60069    0.32150   
 H8492    H    -1.16621   0.64881    0.37653   
 H8493    H    -1.12394   0.57424    0.43845   
 H8494    H    -1.08440   0.62701    0.27847   
 H8495    H    -1.16622   0.62249    0.41956   
 O8496    O    -1.20703   0.71794    0.30260   
 O8497    O    -1.20596   0.56521    0.55435   
 O8498    O    -1.20189   0.59045    0.59282   
 O8499    O    -1.20241   0.71974    0.38073   
 O8500    O    -1.02977   0.66993    0.17048   
 O8501    O    -1.05210   0.67650    0.11555   
 O8502    O    -1.05195   0.52443    0.36778   
 O8503    O    -1.02939   0.54534    0.37535   
 C8504    C    -0.82315   0.57311    0.49115   
 C8505    C    -0.81746   0.58488    0.52586   
 C8506    C    -0.82661   0.60102    0.52793   
 C8507    C    -0.84072   0.60546    0.49541   
 C8508    C    -0.84624   0.59385    0.45981   
 C8509    C    -0.83733   0.57753    0.45882   
 C8510    C    -0.82328   0.69537    0.29092   
 C8511    C    -0.81784   0.70142    0.33532   
 C8512    C    -0.82651   0.69415    0.37511   
 C8513    C    -0.84003   0.68094    0.37060   
 C8514    C    -0.84547   0.67468    0.32624   
 C8515    C    -0.83690   0.68226    0.28649   
 C8516    C    -0.80162   0.58015    0.55889   
 C8517    C    -0.80239   0.71472    0.33971   
 C8518    C    -0.91810   0.66989    0.17764   
 C8519    C    -0.93745   0.66904    0.19205   
 C8520    C    -0.94159   0.66352    0.23774   
 C8521    C    -0.92681   0.65855    0.26788   
 C8522    C    -0.90736   0.65902    0.25340   
 C8523    C    -0.90333   0.66502    0.20793   
 C8524    C    -0.91795   0.54762    0.37782   
 C8525    C    -0.93727   0.55267    0.38337   
 C8526    C    -0.94149   0.57023    0.38984   
 C8527    C    -0.92675   0.58247    0.38996   
 C8528    C    -0.90731   0.57755    0.38405   
 C8529    C    -0.90324   0.55986    0.37833   
 C8530    C    -0.95308   0.67362    0.15833   
 C8531    C    -0.95300   0.53957    0.37988   
 C8532    C    -0.89263   0.65491    0.28496   
 C8533    C    -0.89250   0.63941    0.31328   
 C8534    C    -0.90563   0.62632    0.30636   
 C8535    C    -0.87630   0.66587    0.28977   
 C8536    C    -0.87768   0.63577    0.34574   
 C8537    C    -0.86122   0.59816    0.42916   
 C8538    C    -0.86219   0.61434    0.40385   
 C8539    C    -0.84696   0.62576    0.40325   
 C8540    C    -0.87633   0.58623    0.41999   
 C8541    C    -0.87770   0.61853    0.37389   
 C8542    C    -0.89267   0.58978    0.39144   
 C8543    C    -0.89251   0.60625    0.36748   
 C8544    C    -0.90564   0.61010    0.33286   
 C8545    C    -0.86118   0.66330    0.32268   
 C8546    C    -0.86217   0.64749    0.34965   
 C8547    C    -0.84695   0.64197    0.37675   
 H8548    H    -0.81610   0.56059    0.48980   
 H8549    H    -0.82215   0.61013    0.55484   
 H8550    H    -0.84745   0.61812    0.49733   
 H8551    H    -0.84147   0.56826    0.43204   
 H8552    H    -0.81650   0.70100    0.26026   
 H8553    H    -0.82216   0.69876    0.40947   
 H8554    H    -0.84640   0.67536    0.40193   
 H8555    H    -0.84088   0.67772    0.25179   
 H8556    H    -0.91495   0.67425    0.14233   
 H8557    H    -0.95658   0.66285    0.24879   
 H8558    H    -0.93037   0.65411    0.30293   
 H8559    H    -0.88842   0.66568    0.19600   
 H8560    H    -0.91478   0.53403    0.37270   
 H8561    H    -0.95645   0.57412    0.39374   
 H8562    H    -0.93034   0.59602    0.39450   
 H8563    H    -0.88835   0.55569    0.37389   
 H8564    H    -0.83382   0.62249    0.41955   
 H8565    H    -0.87607   0.67750    0.26964   
 H8566    H    -0.87612   0.57423    0.43845   
 H8567    H    -0.91555   0.62701    0.27848   
 H8568    H    -0.83381   0.64881    0.37652   
 H8569    H    -0.91556   0.60069    0.32151   
 O8570    O    -0.79413   0.71939    0.30205   
 O8571    O    -0.79761   0.59062    0.59167   
 O8572    O    -0.79300   0.56596    0.55091   
 O8573    O    -0.79828   0.72014    0.38052   
 O8574    O    -0.94794   0.52427    0.36970   
 O8575    O    -0.97035   0.67375    0.17321   
 O8576    O    -0.94786   0.67673    0.11651   
 O8577    O    -0.97024   0.54466    0.38633   
 H8578    H    -1.23536   0.58720    0.54810   
 O8579    O    -1.23923   0.58178    0.57700   
 H8580    H    -1.19016   0.74065    0.41878   
 H8581    H    -1.19911   0.75946    0.41691   
 H8582    H    -1.18963   0.77864    0.36728   
 O8583    O    -1.20082   0.77722    0.38692   
 O8584    O    -1.20001   0.74779    0.43288   
 H8585    H    -1.29975   0.52943    0.59446   
 H8586    H    -1.30067   0.55686    0.58199   
 H8587    H    -1.29632   0.56502    0.53231   
 O8588    O    -1.29927   0.56815    0.56425   
 O8589    O    -1.29950   0.53954    0.61402   
 H8590    H    -1.23650   0.70681    0.35061   
 O8591    O    -1.24070   0.71868    0.35067   
 H8592    H    -0.76357   0.58687    0.54662   
 O8593    O    -0.75939   0.58136    0.57513   
 H8594    H    -0.76471   0.70712    0.35199   
 O8595    O    -0.76084   0.71908    0.35249   
 Zr8596   Zr   -1.22633   0.59163    0.64655   
 Zr8597   Zr   -1.27333   0.72462    0.35203   
 Zr8598   Zr   -0.72674   0.57908    0.59009   
 Zr8599   Zr   -0.77377   0.73717    0.40848   
 Zr8600   Zr   -0.99955   0.53148    0.37567   
 Zr8601   Zr   -0.96371   0.50007    0.35006   
 O8602    O    -1.26084   0.55612    0.59934   
 O8603    O    -0.77619   0.56594    0.64351   
 C8604    C    -1.24139   0.37262    0.71385   
 C8605    C    -1.25506   0.38227    0.73898   
 C8606    C    -1.26834   0.39243    0.71415   
 C8607    C    -1.26767   0.39328    0.66550   
 C8608    C    -1.25373   0.38392    0.64001   
 C8609    C    -1.24081   0.37342    0.66519   
 C8610    C    -1.24132   0.49483    0.51337   
 C8611    C    -1.25521   0.49864    0.54765   
 C8612    C    -1.26807   0.48563    0.56163   
 C8613    C    -1.26687   0.46914    0.54241   
 C8614    C    -1.25287   0.46515    0.50827   
 C8615    C    -1.24024   0.47839    0.49396   
 C8616    C    -1.25487   0.38181    0.79122   
 C8617    C    -1.25546   0.51598    0.57024   
 C8618    C    -1.24004   0.32239    0.48469   
 C8619    C    -1.25333   0.31869    0.44899   
 C8620    C    -1.26682   0.33134    0.43608   
 C8621    C    -1.26673   0.34743    0.45774   
 C8622    C    -1.25314   0.35142    0.49279   
 C8623    C    -1.24002   0.33848    0.50630   
 C8624    C    -1.23997   0.44291    0.28590   
 C8625    C    -1.25361   0.43318    0.26094   
 C8626    C    -1.26696   0.42309    0.28579   
 C8627    C    -1.26638   0.42241    0.33445   
 C8628    C    -1.25248   0.43188    0.35978   
 C8629    C    -1.23950   0.44232    0.33458   
 C8630    C    -1.25363   0.43367    0.20874   
 C8631    C    -1.25296   0.30174    0.42444   
 C8632    C    -1.25386   0.43251    0.40905   
 C8633    C    -1.25471   0.41682    0.43657   
 C8634    C    -1.25262   0.40078    0.41637   
 C8635    C    -1.25267   0.44814    0.43490   
 C8636    C    -1.25542   0.41694    0.48593   
 C8637    C    -1.25392   0.38414    0.59098   
 C8638    C    -1.25476   0.39983    0.56348   
 C8639    C    -1.25267   0.41587    0.58366   
 C8640    C    -1.25269   0.36850    0.56512   
 C8641    C    -1.25543   0.39971    0.51409   
 C8642    C    -1.25389   0.36737    0.51553   
 C8643    C    -1.25473   0.38367    0.49077   
 C8644    C    -1.25263   0.38457    0.44287   
 C8645    C    -1.25389   0.44928    0.48449   
 C8646    C    -1.25474   0.43299    0.50928   
 C8647    C    -1.25267   0.43208    0.55716   
 H8648    H    -1.23120   0.36471    0.73316   
 H8649    H    -1.27889   0.39990    0.73372   
 H8650    H    -1.27793   0.40141    0.64704   
 H8651    H    -1.23005   0.36591    0.64635   
 H8652    H    -1.23136   0.50493    0.50279   
 H8653    H    -1.27872   0.48856    0.58843   
 H8654    H    -1.27683   0.45920    0.55412   
 H8655    H    -1.22934   0.47569    0.46752   
 H8656    H    -1.22973   0.31248    0.49472   
 H8657    H    -1.27726   0.32834    0.40895   
 H8658    H    -1.27723   0.35712    0.44714   
 H8659    H    -1.22953   0.34115    0.53377   
 H8660    H    -1.22978   0.45079    0.26643   
 H8661    H    -1.27772   0.41583    0.26632   
 H8662    H    -1.27677   0.41446    0.35307   
 H8663    H    -1.22877   0.44986    0.35338   
 H8664    H    -1.24946   0.41697    0.61957   
 H8665    H    -1.25220   0.45996    0.41560   
 H8666    H    -1.25225   0.35669    0.58442   
 H8667    H    -1.24938   0.39968    0.38045   
 H8668    H    -1.24945   0.44329    0.57655   
 H8669    H    -1.24939   0.37336    0.42347   
 O8670    O    -1.24216   0.52640    0.55843   
 O8671    O    -1.26813   0.38980    0.81288   
 O8672    O    -1.24102   0.37361    0.81018   
 O8673    O    -1.26860   0.51900    0.60023   
 O8674    O    -1.26509   0.29936    0.39169   
 O8675    O    -1.24043   0.29092    0.43823   
 O8676    O    -1.24157   0.44379    0.18958   
 O8677    O    -1.26561   0.42406    0.18735   
 C8678    C    -0.76004   0.32249    0.48268   
 C8679    C    -0.74639   0.31885    0.44779   
 C8680    C    -0.73304   0.33165    0.43518   
 C8681    C    -0.73361   0.34786    0.45622   
 C8682    C    -0.74749   0.35174    0.49073   
 C8683    C    -0.76052   0.33865    0.50395   
 C8684    C    -0.75985   0.44358    0.28673   
 C8685    C    -0.74661   0.43359    0.26127   
 C8686    C    -0.73311   0.42351    0.28558   
 C8687    C    -0.73316   0.42310    0.33428   
 C8688    C    -0.74672   0.43272    0.36016   
 C8689    C    -0.75986   0.44315    0.33543   
 C8690    C    -0.74701   0.43344    0.20916   
 C8691    C    -0.74634   0.30157    0.42473   
 C8692    C    -0.75901   0.37248    0.71400   
 C8693    C    -0.74512   0.38181    0.73915   
 C8694    C    -0.73228   0.39252    0.71472   
 C8695    C    -0.73347   0.39402    0.66618   
 C8696    C    -0.74741   0.38474    0.64057   
 C8697    C    -0.76008   0.37387    0.66548   
 C8698    C    -0.75873   0.49471    0.51386   
 C8699    C    -0.74508   0.49836    0.54878   
 C8700    C    -0.73178   0.48551    0.56138   
 C8701    C    -0.73248   0.46928    0.54052   
 C8702    C    -0.74640   0.46536    0.50615   
 C8703    C    -0.75933   0.47851    0.49279   
 C8704    C    -0.74480   0.38097    0.79125   
 C8705    C    -0.74531   0.51556    0.57235   
 C8706    C    -0.74620   0.44928    0.48449   
 C8707    C    -0.74536   0.43298    0.50926   
 C8708    C    -0.74746   0.43208    0.55715   
 C8709    C    -0.74739   0.44815    0.43492   
 C8710    C    -0.74466   0.41694    0.48593   
 C8711    C    -0.74620   0.36737    0.51553   
 C8712    C    -0.74535   0.38366    0.49074   
 C8713    C    -0.74743   0.38456    0.44286   
 C8714    C    -0.74744   0.36850    0.56510   
 C8715    C    -0.74467   0.39971    0.51410   
 C8716    C    -0.74623   0.38414    0.59097   
 C8717    C    -0.74538   0.39983    0.56346   
 C8718    C    -0.74747   0.41587    0.58366   
 C8719    C    -0.74617   0.43250    0.40905   
 C8720    C    -0.74534   0.41681    0.43654   
 C8721    C    -0.74742   0.40078    0.41636   
 H8722    H    -0.77023   0.31246    0.49252   
 H8723    H    -0.72227   0.32870    0.40870   
 H8724    H    -0.72321   0.35765    0.44584   
 H8725    H    -0.77124   0.34124    0.53082   
 H8726    H    -0.77015   0.45145    0.26761   
 H8727    H    -0.72271   0.41601    0.26571   
 H8728    H    -0.72266   0.41515    0.35256   
 H8729    H    -0.77031   0.45088    0.35458   
 H8730    H    -0.76897   0.36427    0.73312   
 H8731    H    -0.72164   0.39987    0.73437   
 H8732    H    -0.72349   0.40251    0.64789   
 H8733    H    -0.77096   0.36654    0.64660   
 H8734    H    -0.76890   0.50473    0.50399   
 H8735    H    -0.72120   0.48833    0.58846   
 H8736    H    -0.72220   0.45943    0.55129   
 H8737    H    -0.77009   0.47592    0.46597   
 H8738    H    -0.74785   0.45996    0.41561   
 H8739    H    -0.75065   0.37336    0.42348   
 H8740    H    -0.75070   0.44329    0.57655   
 H8741    H    -0.74790   0.35669    0.58442   
 H8742    H    -0.75063   0.39968    0.38045   
 H8743    H    -0.75071   0.41697    0.61958   
 O8744    O    -0.73432   0.29903    0.39182   
 O8745    O    -0.75840   0.29057    0.44009   
 O8746    O    -0.75952   0.44298    0.18961   
 O8747    O    -0.73489   0.42385    0.18820   
 O8748    O    -0.75919   0.52555    0.56169   
 O8749    O    -0.75807   0.37219    0.81063   
 O8750    O    -0.73163   0.38930    0.81251   
 O8751    O    -0.73210   0.51889    0.60178   
 H8752    H    -0.79985   0.25230    0.35749   
 O8753    O    -0.78604   0.25170    0.35391   
 H8754    H    -1.27152   0.27133    0.44307   
 O8755    O    -1.26600   0.26557    0.41632   
 H8756    H    -0.70387   0.52902    0.59131   
 H8757    H    -0.69951   0.54906    0.59497   
 H8758    H    -0.70036   0.56594    0.53500   
 O8759    O    -0.70065   0.56758    0.56843   
 O8760    O    -0.70091   0.53799    0.61371   
 H8761    H    -1.02834   0.51854    0.43649   
 O8762    O    -1.02004   0.51324    0.41354   
 H8763    H    -0.97180   0.46801    0.40049   
 O8764    O    -0.97986   0.47661    0.38587   
 H8765    H    -0.98645   0.30642    0.49320   
 H8766    H    -0.99976   0.29354    0.52176   
 H8767    H    -0.98944   0.26908    0.54766   
 O8768    O    -1.00034   0.27639    0.55448   
 O8769    O    -0.99926   0.30533    0.50627   
 H8770    H    -0.98928   0.54759    0.45223   
 H8771    H    -0.99966   0.52317    0.47822   
 H8772    H    -0.98638   0.51031    0.50677   
 O8773    O    -0.99920   0.51139    0.49372   
 O8774    O    -1.00020   0.54032    0.44542   
 H8775    H    -1.00032   0.36393    0.58692   
 H8776    H    -1.01082   0.35431    0.52100   
 H8777    H    -1.01349   0.37454    0.62188   
 O8778    O    -0.99983   0.35181    0.54051   
 O8779    O    -1.00071   0.36967    0.61884   
 H8780    H    -1.02846   0.29811    0.56352   
 O8781    O    -1.02016   0.30342    0.58640   
 H8782    H    -0.97186   0.34872    0.59942   
 O8783    O    -0.97993   0.34012    0.61404   
 H8784    H    -1.01342   0.44215    0.37809   
 H8785    H    -1.01074   0.46240    0.47895   
 H8786    H    -1.00024   0.45277    0.41305   
 O8787    O    -1.00063   0.44702    0.38116   
 O8788    O    -0.99974   0.46490    0.45946   
 Zr8789   Zr   -1.23193   0.55207    0.58473   
 Zr8790   Zr   -0.76824   0.55206    0.58469   
 Zr8791   Zr   -1.03616   0.50000    0.35013   
 Zr8792   Zr   -1.00046   0.32608    0.56467   
 Zr8793   Zr   -1.00039   0.49061    0.43528   
 O8794    O    -1.22400   0.56484    0.64542   
 O8795    O    -0.75704   0.27271    0.35172   
 O8796    O    -0.73931   0.55501    0.60121   
 O8797    O    -1.24167   0.27237    0.35019   
 O8798    O    -0.98477   0.30742    0.60470   
 O8799    O    -1.01544   0.33339    0.62456   
 O8800    O    -1.01537   0.48326    0.37541   
 O8801    O    -0.98466   0.50931    0.39520   
 C8802    C    -0.82246   0.12239    0.70953   
 C8803    C    -0.81632   0.11678    0.66524   
 C8804    C    -0.82545   0.12339    0.62522   
 C8805    C    -0.84008   0.13561    0.62943   
 C8806    C    -0.84599   0.14165    0.67368   
 C8807    C    -0.83709   0.13458    0.71363   
 C8808    C    -0.82184   0.24305    0.51140   
 C8809    C    -0.81617   0.23120    0.47691   
 C8810    C    -0.82539   0.21509    0.47468   
 C8811    C    -0.83965   0.21078    0.50699   
 C8812    C    -0.84518   0.22246    0.54230   
 C8813    C    -0.83620   0.23876    0.54345   
 C8814    C    -0.80047   0.23588    0.44354   
 C8815    C    -0.80016   0.10425    0.66056   
 C8816    C    -0.91819   0.26906    0.62282   
 C8817    C    -0.93751   0.26405    0.61713   
 C8818    C    -0.94181   0.24651    0.61084   
 C8819    C    -0.92712   0.23422    0.61087   
 C8820    C    -0.90768   0.23911    0.61672   
 C8821    C    -0.90352   0.25679    0.62242   
 C8822    C    -0.91827   0.14666    0.82223   
 C8823    C    -0.93760   0.14755    0.80772   
 C8824    C    -0.94166   0.15302    0.76191   
 C8825    C    -0.92682   0.15794    0.73191   
 C8826    C    -0.90740   0.15747    0.74651   
 C8827    C    -0.90342   0.15147    0.79205   
 C8828    C    -0.95318   0.27717    0.62023   
 C8829    C    -0.95331   0.14309    0.84141   
 C8830    C    -0.86126   0.21848    0.57086   
 C8831    C    -0.86226   0.20230    0.59615   
 C8832    C    -0.84701   0.19089    0.59676   
 C8833    C    -0.87639   0.23042    0.58004   
 C8834    C    -0.87777   0.19811    0.62613   
 C8835    C    -0.89277   0.16174    0.71506   
 C8836    C    -0.89261   0.17724    0.68671   
 C8837    C    -0.90576   0.19033    0.69365   
 C8838    C    -0.87643   0.15077    0.71024   
 C8839    C    -0.87778   0.18088    0.65430   
 C8840    C    -0.86129   0.15335    0.67734   
 C8841    C    -0.86228   0.16915    0.65035   
 C8842    C    -0.84702   0.17468    0.62326   
 C8843    C    -0.89274   0.22687    0.60858   
 C8844    C    -0.89260   0.21039    0.63251   
 C8845    C    -0.90575   0.20654    0.66715   
 H8846    H    -0.81542   0.11710    0.74036   
 H8847    H    -0.82087   0.11883    0.59107   
 H8848    H    -0.84694   0.14067    0.59803   
 H8849    H    -0.84158   0.13883    0.74823   
 H8850    H    -0.81473   0.25554    0.51265   
 H8851    H    -0.82120   0.20609    0.44739   
 H8852    H    -0.84657   0.19821    0.50485   
 H8853    H    -0.84036   0.24805    0.57009   
 H8854    H    -0.91498   0.28265    0.62791   
 H8855    H    -0.95680   0.24266    0.60691   
 H8856    H    -0.93075   0.22066    0.60637   
 H8857    H    -0.88865   0.26093    0.62694   
 H8858    H    -0.91519   0.14231    0.85758   
 H8859    H    -0.95664   0.15372    0.75067   
 H8860    H    -0.93030   0.16237    0.69678   
 H8861    H    -0.88856   0.15077    0.80410   
 H8862    H    -0.87615   0.24241    0.56157   
 H8863    H    -0.91569   0.18964    0.72155   
 H8864    H    -0.83387   0.19416    0.58047   
 H8865    H    -0.87620   0.13915    0.73038   
 H8866    H    -0.91568   0.21596    0.67852   
 H8867    H    -0.83388   0.16784    0.62349   
 O8868    O    -0.79502   0.10000    0.61941   
 O8869    O    -0.79271   0.09875    0.69831   
 O8870    O    -0.79361   0.25103    0.44700   
 O8871    O    -0.79510   0.22450    0.41422   
 O8872    O    -0.94811   0.14003    0.88328   
 O8873    O    -0.94809   0.29248    0.63024   
 O8874    O    -0.97043   0.27211    0.61366   
 O8875    O    -0.97057   0.14299    0.82655   
 C8876    C    -1.17832   0.12270    0.70848   
 C8877    C    -1.18399   0.11692    0.66399   
 C8878    C    -1.17478   0.12372    0.62436   
 C8879    C    -1.16051   0.13628    0.62899   
 C8880    C    -1.15495   0.14238    0.67349   
 C8881    C    -1.16397   0.13516    0.71313   
 C8882    C    -1.17759   0.24357    0.51156   
 C8883    C    -1.18375   0.23169    0.47761   
 C8884    C    -1.17461   0.21557    0.47474   
 C8885    C    -1.15994   0.21126    0.50591   
 C8886    C    -1.15400   0.22292    0.54096   
 C8887    C    -1.16291   0.23923    0.54266   
 C8888    C    -1.19994   0.23597    0.44540   
 C8889    C    -1.19966   0.10381    0.65967   
 C8890    C    -1.08191   0.26862    0.62736   
 C8891    C    -1.06259   0.26349    0.62278   
 C8892    C    -1.05846   0.24603    0.61446   
 C8893    C    -1.07329   0.23392    0.61186   
 C8894    C    -1.09273   0.23892    0.61726   
 C8895    C    -1.09673   0.25654    0.62443   
 C8896    C    -1.08251   0.14766    0.82385   
 C8897    C    -1.06311   0.14894    0.81018   
 C8898    C    -1.05872   0.15426    0.76446   
 C8899    C    -1.07343   0.15860    0.73345   
 C8900    C    -1.09295   0.15779    0.74717   
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 C8999    C    -1.76682   0.83134    0.43608   
 C9000    C    -1.76673   0.84743    0.45774   
 C9001    C    -1.75314   0.85142    0.49279   
 C9002    C    -1.74002   0.83848    0.50630   
 C9003    C    -1.73997   0.94291    0.28590   
 C9004    C    -1.75361   0.93318    0.26094   
 C9005    C    -1.76696   0.92309    0.28579   
 C9006    C    -1.76638   0.92241    0.33445   
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 H9035    H    -1.72973   0.81248    0.49472   
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 H9040    H    -1.77772   0.91583    0.26632   
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 O9053    O    -1.76509   0.79936    0.39169   
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 O9055    O    -1.74157   0.94379    0.18958   
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 C9061    C    -1.24749   0.85174    0.49073   
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 H9233    H    -1.41498   0.78265    0.62791   
 H9234    H    -1.45680   0.74266    0.60691   
 H9235    H    -1.43075   0.72066    0.60637   
 H9236    H    -1.38865   0.76093    0.62694   
 H9237    H    -1.41519   0.64231    0.85758   
 H9238    H    -1.45664   0.65372    0.75067   
 H9239    H    -1.43030   0.66237    0.69678   
 H9240    H    -1.38856   0.65077    0.80410   
 H9241    H    -1.37615   0.74241    0.56157   
 H9242    H    -1.41569   0.68964    0.72155   
 H9243    H    -1.33387   0.69416    0.58047   
 H9244    H    -1.37620   0.63915    0.73038   
 H9245    H    -1.41568   0.71596    0.67852   
 H9246    H    -1.33388   0.66784    0.62349   
 O9247    O    -1.29502   0.60000    0.61941   
 O9248    O    -1.29271   0.59875    0.69831   
 O9249    O    -1.29361   0.75103    0.44700   
 O9250    O    -1.29510   0.72450    0.41422   
 O9251    O    -1.44811   0.64003    0.88328   
 O9252    O    -1.44809   0.79248    0.63024   
 O9253    O    -1.47043   0.77211    0.61366   
 O9254    O    -1.47057   0.64299    0.82655   
 C9255    C    -1.67832   0.62270    0.70848   
 C9256    C    -1.68399   0.61692    0.66399   
 C9257    C    -1.67478   0.62372    0.62436   
 C9258    C    -1.66051   0.63628    0.62899   
 C9259    C    -1.65495   0.64238    0.67349   
 C9260    C    -1.66397   0.63516    0.71313   
 C9261    C    -1.67759   0.74357    0.51156   
 C9262    C    -1.68375   0.73169    0.47761   
 C9263    C    -1.67461   0.71557    0.47474   
 C9264    C    -1.65994   0.71126    0.50591   
 C9265    C    -1.65400   0.72292    0.54096   
 C9266    C    -1.66291   0.73923    0.54266   
 C9267    C    -1.69994   0.73597    0.44540   
 C9268    C    -1.69966   0.60381    0.65967   
 C9269    C    -1.58191   0.76862    0.62736   
 C9270    C    -1.56259   0.76349    0.62278   
 C9271    C    -1.55846   0.74603    0.61446   
 C9272    C    -1.57329   0.73392    0.61186   
 C9273    C    -1.59273   0.73892    0.61726   
 C9274    C    -1.59673   0.75654    0.62443   
 C9275    C    -1.58251   0.64766    0.82385   
 C9276    C    -1.56311   0.64894    0.81018   
 C9277    C    -1.55872   0.65426    0.76446   
 C9278    C    -1.57343   0.65860    0.73345   
 C9279    C    -1.59295   0.65779    0.74717   
 C9280    C    -1.59719   0.65198    0.79271   
 C9281    C    -1.54730   0.64498    0.84384   
 C9282    C    -1.54686   0.77656    0.62693   
 C9283    C    -1.60743   0.72687    0.60858   
 C9284    C    -1.60758   0.71040    0.63254   
 C9285    C    -1.59445   0.70654    0.66716   
 C9286    C    -1.62375   0.73042    0.58005   
 C9287    C    -1.62240   0.69811    0.62612   
 C9288    C    -1.63891   0.65335    0.67734   
 C9289    C    -1.63792   0.66915    0.65037   
 C9290    C    -1.65314   0.67468    0.62328   
 C9291    C    -1.62380   0.65077    0.71023   
 C9292    C    -1.62240   0.68088    0.65430   
 C9293    C    -1.60746   0.66174    0.71506   
 C9294    C    -1.60759   0.67724    0.68674   
 C9295    C    -1.59446   0.69033    0.69366   
 C9296    C    -1.63888   0.71848    0.57086   
 C9297    C    -1.63790   0.70231    0.59617   
 C9298    C    -1.65313   0.69089    0.59678   
 H9299    H    -1.68542   0.61728    0.73902   
 H9300    H    -1.67897   0.61901    0.58998   
 H9301    H    -1.65360   0.64145    0.59785   
 H9302    H    -1.65981   0.63951    0.74789   
 H9303    H    -1.68464   0.75606    0.51325   
 H9304    H    -1.67924   0.70653    0.44795   
 H9305    H    -1.65309   0.69869    0.50340   
 H9306    H    -1.65841   0.74855    0.56897   
 H9307    H    -1.58500   0.78219    0.63345   
 H9308    H    -1.54350   0.74212    0.61010   
 H9309    H    -1.56981   0.72044    0.60561   
 H9310    H    -1.61161   0.76077    0.62826   
 H9311    H    -1.58576   0.64339    0.85917   
 H9312    H    -1.54369   0.65498    0.75386   
 H9313    H    -1.56979   0.66279    0.69823   
 H9314    H    -1.61215   0.65102    0.80400   
 H9315    H    -1.62397   0.74241    0.56157   
 H9316    H    -1.66628   0.66784    0.62350   
 H9317    H    -1.58453   0.71596    0.67852   
 H9318    H    -1.62402   0.63915    0.73039   
 H9319    H    -1.66627   0.69416    0.58048   
 H9320    H    -1.58454   0.68964    0.72154   
 O9321    O    -1.70498   0.59949    0.61874   
 O9322    O    -1.70649   0.59784    0.69764   
 O9323    O    -1.70742   0.75084    0.44983   
 O9324    O    -1.70511   0.72452    0.41607   
 O9325    O    -1.52952   0.77129    0.62469   
 O9326    O    -1.55210   0.79217    0.63227   
 O9327    O    -1.55238   0.64013    0.88445   
 O9328    O    -1.53003   0.64674    0.82958   
 H9329    H    -1.25452   0.70399    0.41881   
 H9330    H    -1.23482   0.71115    0.47368   
 H9331    H    -1.27711   0.70291    0.42669   
 O9332    O    -1.23403   0.71051    0.44005   
 O9333    O    -1.26735   0.70176    0.40269   
 H9334    H    -1.22852   0.77037    0.44473   
 O9335    O    -1.23403   0.76431    0.41850   
 H9336    H    -1.23640   0.62443    0.62159   
 H9337    H    -1.27602   0.61402    0.56503   
 H9338    H    -1.24580   0.61280    0.58212   
 O9339    O    -1.23337   0.61534    0.59958   
 O9340    O    -1.26581   0.60587    0.55908   
 H9341    H    -1.75428   0.70633    0.42933   
 H9342    H    -1.72406   0.70018    0.42432   
 H9343    H    -1.76371   0.71378    0.47557   
 O9344    O    -1.73427   0.70205    0.40201   
 O9345    O    -1.76673   0.71084    0.44351   
 H9346    H    -1.70015   0.75136    0.35923   
 O9347    O    -1.71395   0.75044    0.35614   
 H9348    H    -1.72300   0.61356    0.57273   
 H9349    H    -1.76531   0.62500    0.61442   
 H9350    H    -1.74558   0.61047    0.57163   
 O9351    O    -1.73277   0.60627    0.55880   
 O9352    O    -1.76610   0.61434    0.59719   
 Zr9353   Zr   -1.26809   0.76445    0.41514   
 Zr9354   Zr   -1.22886   0.73504    0.41047   
 Zr9355   Zr   -1.27161   0.58187    0.59098   
 Zr9356   Zr   -1.73193   0.76446    0.41518   
 Zr9357   Zr   -1.72847   0.72366    0.35929   
 Zr9358   Zr   -1.77125   0.59325    0.64218   
 Zr9359   Zr   -1.49968   0.78523    0.62426   
 O9360    O    -1.25832   0.73956    0.40381   
 O9361    O    -1.74296   0.73990    0.40535   
 H9362    H    2.18962    -1.25789   0.42663   
 H9363    H    2.19907    -1.23273   0.40396   
 H9364    H    2.19013    -1.22334   0.35978   
 O9365    O    2.19999    -1.22205   0.38348   
 O9366    O    2.20078    -1.25082   0.43253   
 H9367    H    1.68962    -0.75789   0.42663   
 H9368    H    1.69907    -0.73273   0.40396   
 H9369    H    1.69013    -0.72334   0.35978   
 O9370    O    1.69999    -0.72205   0.38348   
 O9371    O    1.70078    -0.75082   0.43253   
 C9372    C    1.32298    -0.92705   0.49128   
 C9373    C    1.31757    -0.91545   0.52662   
 C9374    C    1.32611    -0.89904   0.52778   
 C9375    C    1.33961    -0.89426   0.49402   
 C9376    C    1.34511    -0.90579   0.45830   
 C9377    C    1.33659    -0.92231   0.45781   
 C9378    C    1.32324    -0.80470   0.29164   
 C9379    C    1.31757    -0.79892   0.33614   
 C9380    C    1.32680    -0.80577   0.37574   
 C9381    C    1.34093    -0.81841   0.37105   
 C9382    C    1.34643    -0.82457   0.32656   
 C9383    C    1.33749    -0.81725   0.28699   
 C9384    C    1.30220    -0.92030   0.56066   
 C9385    C    1.30164    -0.78603   0.34032   
 C9386    C    1.41774    -0.83118   0.17610   
 C9387    C    1.43716    -0.83237   0.18978   
 C9388    C    1.44151    -0.83771   0.23553   
 C9389    C    1.42679    -0.84211   0.26648   
 C9390    C    1.40728    -0.84138   0.25268   
 C9391    C    1.40306    -0.83556   0.20713   
 C9392    C    1.41823    -0.95213   0.37293   
 C9393    C    1.43754    -0.94694   0.37747   
 C9394    C    1.44166    -0.92947   0.38580   
 C9395    C    1.42682    -0.91740   0.38840   
 C9396    C    1.40740    -0.92244   0.38295   
 C9397    C    1.40340    -0.94007   0.37583   
 C9398    C    1.45327    -0.95998   0.37321   
 C9399    C    1.45296    -0.82835   0.15618   
 C9400    C    1.36120    -0.83670   0.32268   
 C9401    C    1.36219    -0.85250   0.34967   
 C9402    C    1.34693    -0.85803   0.37676   
 C9403    C    1.37634    -0.83412   0.28978   
 C9404    C    1.37769    -0.86424   0.34573   
 C9405    C    1.39264    -0.91022   0.39144   
 C9406    C    1.39250    -0.89374   0.36751   
 C9407    C    1.40566    -0.88989   0.33287   
 C9408    C    1.37630    -0.91377   0.41998   
 C9409    C    1.37768    -0.88147   0.37389   
 C9410    C    1.36116    -0.90184   0.42916   
 C9411    C    1.36217    -0.88566   0.40387   
 C9412    C    1.34692    -0.87424   0.40327   
 C9413    C    1.39268    -0.84509   0.28496   
 C9414    C    1.39252    -0.86059   0.31331   
 C9415    C    1.40567    -0.87368   0.30637   
 H9416    H    1.31625    -0.93969   0.49042   
 H9417    H    1.32173    -0.89003   0.55495   
 H9418    H    1.34594    -0.88142   0.49528   
 H9419    H    1.34059    -0.93147   0.43068   
 H9420    H    1.31617    -0.79928   0.26111   
 H9421    H    1.32238    -0.80130   0.41022   
 H9422    H    1.34771    -0.82371   0.40224   
 H9423    H    1.34161    -0.82162   0.25218   
 H9424    H    1.41449    -0.82690   0.14074   
 H9425    H    1.45653    -0.83837   0.24620   
 H9426    H    1.43042    -0.84632   0.30173   
 H9427    H    1.38810    -0.83463   0.19583   
 H9428    H    1.41516    -0.96570   0.36682   
 H9429    H    1.45662    -0.92557   0.39015   
 H9430    H    1.43030    -0.90392   0.39464   
 H9431    H    1.38851    -0.94428   0.37198   
 H9432    H    1.37611    -0.82250   0.26964   
 H9433    H    1.41559    -0.89931   0.32150   
 H9434    H    1.33379    -0.85119   0.37653   
 H9435    H    1.37606    -0.92576   0.43845   
 H9436    H    1.41560    -0.87299   0.27847   
 H9437    H    1.33378    -0.87751   0.41956   
 O9438    O    1.29297    -0.78206   0.30260   
 O9439    O    1.29404    -0.93479   0.55435   
 O9440    O    1.29811    -0.90955   0.59282   
 O9441    O    1.29759    -0.78026   0.38073   
 O9442    O    1.47023    -0.83007   0.17048   
 O9443    O    1.44790    -0.82350   0.11555   
 O9444    O    1.44805    -0.97557   0.36778   
 O9445    O    1.47061    -0.95466   0.37535   
 C9446    C    1.67685    -0.92689   0.49115   
 C9447    C    1.68254    -0.91512   0.52586   
 C9448    C    1.67339    -0.89898   0.52793   
 C9449    C    1.65928    -0.89454   0.49541   
 C9450    C    1.65376    -0.90615   0.45981   
 C9451    C    1.66267    -0.92247   0.45882   
 C9452    C    1.67672    -0.80463   0.29092   
 C9453    C    1.68216    -0.79858   0.33532   
 C9454    C    1.67349    -0.80585   0.37511   
 C9455    C    1.65997    -0.81906   0.37060   
 C9456    C    1.65453    -0.82532   0.32624   
 C9457    C    1.66310    -0.81774   0.28649   
 C9458    C    1.69838    -0.91985   0.55889   
 C9459    C    1.69761    -0.78528   0.33971   
 C9460    C    1.58190    -0.83011   0.17764   
 C9461    C    1.56255    -0.83096   0.19205   
 C9462    C    1.55841    -0.83648   0.23774   
 C9463    C    1.57319    -0.84145   0.26788   
 C9464    C    1.59264    -0.84098   0.25340   
 C9465    C    1.59667    -0.83498   0.20793   
 C9466    C    1.58205    -0.95238   0.37782   
 C9467    C    1.56273    -0.94733   0.38337   
 C9468    C    1.55851    -0.92977   0.38984   
 C9469    C    1.57325    -0.91753   0.38996   
 C9470    C    1.59269    -0.92245   0.38405   
 C9471    C    1.59676    -0.94014   0.37833   
 C9472    C    1.54692    -0.82638   0.15833   
 C9473    C    1.54700    -0.96043   0.37988   
 C9474    C    1.60737    -0.84509   0.28496   
 C9475    C    1.60750    -0.86059   0.31328   
 C9476    C    1.59437    -0.87368   0.30636   
 C9477    C    1.62370    -0.83413   0.28977   
 C9478    C    1.62232    -0.86423   0.34574   
 C9479    C    1.63878    -0.90184   0.42916   
 C9480    C    1.63781    -0.88566   0.40385   
 C9481    C    1.65304    -0.87424   0.40325   
 C9482    C    1.62367    -0.91377   0.41999   
 C9483    C    1.62230    -0.88147   0.37389   
 C9484    C    1.60733    -0.91022   0.39144   
 C9485    C    1.60749    -0.89375   0.36748   
 C9486    C    1.59436    -0.88990   0.33286   
 C9487    C    1.63882    -0.83670   0.32268   
 C9488    C    1.63783    -0.85251   0.34965   
 C9489    C    1.65305    -0.85803   0.37675   
 H9490    H    1.68390    -0.93941   0.48980   
 H9491    H    1.67785    -0.88987   0.55484   
 H9492    H    1.65255    -0.88188   0.49733   
 H9493    H    1.65853    -0.93174   0.43204   
 H9494    H    1.68350    -0.79900   0.26026   
 H9495    H    1.67784    -0.80124   0.40947   
 H9496    H    1.65360    -0.82464   0.40193   
 H9497    H    1.65912    -0.82228   0.25179   
 H9498    H    1.58505    -0.82575   0.14233   
 H9499    H    1.54342    -0.83715   0.24879   
 H9500    H    1.56963    -0.84589   0.30293   
 H9501    H    1.61158    -0.83432   0.19600   
 H9502    H    1.58522    -0.96597   0.37270   
 H9503    H    1.54355    -0.92588   0.39374   
 H9504    H    1.56966    -0.90398   0.39450   
 H9505    H    1.61165    -0.94431   0.37389   
 H9506    H    1.66618    -0.87751   0.41955   
 H9507    H    1.62393    -0.82250   0.26964   
 H9508    H    1.62388    -0.92577   0.43845   
 H9509    H    1.58445    -0.87299   0.27848   
 H9510    H    1.66619    -0.85119   0.37652   
 H9511    H    1.58444    -0.89931   0.32151   
 O9512    O    1.70587    -0.78061   0.30205   
 O9513    O    1.70239    -0.90938   0.59167   
 O9514    O    1.70700    -0.93404   0.55091   
 O9515    O    1.70172    -0.77986   0.38052   
 O9516    O    1.55206    -0.97573   0.36970   
 O9517    O    1.52965    -0.82625   0.17321   
 O9518    O    1.55214    -0.82327   0.11651   
 O9519    O    1.52976    -0.95534   0.38633   
 H9520    H    1.26464    -0.91280   0.54810   
 O9521    O    1.26077    -0.91822   0.57700   
 H9522    H    1.30984    -0.75935   0.41878   
 H9523    H    1.30089    -0.74054   0.41691   
 H9524    H    1.31037    -0.72136   0.36728   
 O9525    O    1.29918    -0.72278   0.38692   
 O9526    O    1.29999    -0.75221   0.43288   
 H9527    H    1.20025    -0.97057   0.59446   
 H9528    H    1.19933    -0.94314   0.58199   
 H9529    H    1.20368    -0.93498   0.53231   
 O9530    O    1.20073    -0.93185   0.56425   
 O9531    O    1.20050    -0.96046   0.61402   
 H9532    H    1.26350    -0.79319   0.35061   
 O9533    O    1.25930    -0.78132   0.35067   
 H9534    H    1.73643    -0.91313   0.54662   
 O9535    O    1.74061    -0.91864   0.57513   
 H9536    H    1.73529    -0.79288   0.35199   
 O9537    O    1.73916    -0.78092   0.35249   
 Zr9538   Zr   1.27367    -0.90837   0.64655   
 Zr9539   Zr   1.22667    -0.77538   0.35203   
 Zr9540   Zr   1.77326    -0.92092   0.59009   
 Zr9541   Zr   1.72623    -0.76283   0.40848   
 Zr9542   Zr   1.50045    -0.96852   0.37567   
 Zr9543   Zr   1.53629    -0.99993   0.35006   
 O9544    O    1.23916    -0.94388   0.59934   
 O9545    O    1.72381    -0.93406   0.64351   
 C9546    C    1.25861    -1.12738   0.71385   
 C9547    C    1.24494    -1.11773   0.73898   
 C9548    C    1.23166    -1.10757   0.71415   
 C9549    C    1.23233    -1.10672   0.66550   
 C9550    C    1.24627    -1.11608   0.64001   
 C9551    C    1.25919    -1.12658   0.66519   
 C9552    C    1.25868    -1.00517   0.51337   
 C9553    C    1.24479    -1.00136   0.54765   
 C9554    C    1.23193    -1.01437   0.56163   
 C9555    C    1.23313    -1.03086   0.54241   
 C9556    C    1.24713    -1.03485   0.50827   
 C9557    C    1.25976    -1.02161   0.49396   
 C9558    C    1.24513    -1.11819   0.79122   
 C9559    C    1.24454    -0.98402   0.57024   
 C9560    C    1.25996    -1.17761   0.48469   
 C9561    C    1.24667    -1.18131   0.44899   
 C9562    C    1.23318    -1.16866   0.43608   
 C9563    C    1.23327    -1.15257   0.45774   
 C9564    C    1.24686    -1.14858   0.49279   
 C9565    C    1.25998    -1.16152   0.50630   
 C9566    C    1.26003    -1.05709   0.28590   
 C9567    C    1.24639    -1.06682   0.26094   
 C9568    C    1.23304    -1.07691   0.28579   
 C9569    C    1.23362    -1.07759   0.33445   
 C9570    C    1.24752    -1.06812   0.35978   
 C9571    C    1.26050    -1.05768   0.33458   
 C9572    C    1.24637    -1.06633   0.20874   
 C9573    C    1.24704    -1.19826   0.42444   
 C9574    C    1.24614    -1.06749   0.40905   
 C9575    C    1.24529    -1.08318   0.43657   
 C9576    C    1.24738    -1.09922   0.41637   
 C9577    C    1.24733    -1.05186   0.43490   
 C9578    C    1.24458    -1.08306   0.48593   
 C9579    C    1.24608    -1.11586   0.59098   
 C9580    C    1.24524    -1.10017   0.56348   
 C9581    C    1.24733    -1.08413   0.58366   
 C9582    C    1.24731    -1.13150   0.56512   
 C9583    C    1.24457    -1.10029   0.51409   
 C9584    C    1.24611    -1.13263   0.51553   
 C9585    C    1.24527    -1.11633   0.49077   
 C9586    C    1.24737    -1.11543   0.44287   
 C9587    C    1.24611    -1.05072   0.48449   
 C9588    C    1.24526    -1.06701   0.50928   
 C9589    C    1.24733    -1.06792   0.55716   
 H9590    H    1.26880    -1.13529   0.73316   
 H9591    H    1.22111    -1.10010   0.73372   
 H9592    H    1.22207    -1.09859   0.64704   
 H9593    H    1.26995    -1.13409   0.64635   
 H9594    H    1.26864    -0.99507   0.50279   
 H9595    H    1.22128    -1.01144   0.58843   
 H9596    H    1.22317    -1.04080   0.55412   
 H9597    H    1.27066    -1.02431   0.46752   
 H9598    H    1.27027    -1.18752   0.49472   
 H9599    H    1.22274    -1.17166   0.40895   
 H9600    H    1.22277    -1.14288   0.44714   
 H9601    H    1.27047    -1.15885   0.53377   
 H9602    H    1.27022    -1.04921   0.26643   
 H9603    H    1.22228    -1.08417   0.26632   
 H9604    H    1.22323    -1.08554   0.35307   
 H9605    H    1.27123    -1.05014   0.35338   
 H9606    H    1.25054    -1.08303   0.61957   
 H9607    H    1.24780    -1.04004   0.41560   
 H9608    H    1.24775    -1.14331   0.58442   
 H9609    H    1.25062    -1.10032   0.38045   
 H9610    H    1.25055    -1.05671   0.57655   
 H9611    H    1.25061    -1.12664   0.42347   
 O9612    O    1.25784    -0.97360   0.55843   
 O9613    O    1.23187    -1.11020   0.81288   
 O9614    O    1.25898    -1.12639   0.81018   
 O9615    O    1.23140    -0.98100   0.60023   
 O9616    O    1.23491    -1.20064   0.39169   
 O9617    O    1.25957    -1.20908   0.43823   
 O9618    O    1.25843    -1.05621   0.18958   
 O9619    O    1.23439    -1.07594   0.18735   
 C9620    C    1.73996    -1.17751   0.48268   
 C9621    C    1.75361    -1.18115   0.44779   
 C9622    C    1.76696    -1.16835   0.43518   
 C9623    C    1.76639    -1.15214   0.45622   
 C9624    C    1.75251    -1.14826   0.49073   
 C9625    C    1.73948    -1.16135   0.50395   
 C9626    C    1.74015    -1.05642   0.28673   
 C9627    C    1.75339    -1.06641   0.26127   
 C9628    C    1.76689    -1.07649   0.28558   
 C9629    C    1.76684    -1.07690   0.33428   
 C9630    C    1.75328    -1.06728   0.36016   
 C9631    C    1.74014    -1.05685   0.33543   
 C9632    C    1.75299    -1.06656   0.20916   
 C9633    C    1.75366    -1.19843   0.42473   
 C9634    C    1.74099    -1.12752   0.71400   
 C9635    C    1.75488    -1.11819   0.73915   
 C9636    C    1.76772    -1.10748   0.71472   
 C9637    C    1.76653    -1.10598   0.66618   
 C9638    C    1.75259    -1.11526   0.64057   
 C9639    C    1.73992    -1.12613   0.66548   
 C9640    C    1.74127    -1.00529   0.51386   
 C9641    C    1.75492    -1.00164   0.54878   
 C9642    C    1.76822    -1.01449   0.56138   
 C9643    C    1.76752    -1.03072   0.54052   
 C9644    C    1.75360    -1.03464   0.50615   
 C9645    C    1.74067    -1.02149   0.49279   
 C9646    C    1.75520    -1.11903   0.79125   
 C9647    C    1.75469    -0.98444   0.57235   
 C9648    C    1.75380    -1.05072   0.48449   
 C9649    C    1.75464    -1.06702   0.50926   
 C9650    C    1.75254    -1.06792   0.55715   
 C9651    C    1.75261    -1.05185   0.43492   
 C9652    C    1.75534    -1.08306   0.48593   
 C9653    C    1.75380    -1.13263   0.51553   
 C9654    C    1.75465    -1.11634   0.49074   
 C9655    C    1.75257    -1.11544   0.44286   
 C9656    C    1.75256    -1.13150   0.56510   
 C9657    C    1.75533    -1.10029   0.51410   
 C9658    C    1.75377    -1.11586   0.59097   
 C9659    C    1.75462    -1.10017   0.56346   
 C9660    C    1.75253    -1.08413   0.58366   
 C9661    C    1.75383    -1.06750   0.40905   
 C9662    C    1.75466    -1.08319   0.43654   
 C9663    C    1.75258    -1.09922   0.41636   
 H9664    H    1.72977    -1.18754   0.49252   
 H9665    H    1.77773    -1.17130   0.40870   
 H9666    H    1.77679    -1.14235   0.44584   
 H9667    H    1.72876    -1.15876   0.53082   
 H9668    H    1.72985    -1.04855   0.26761   
 H9669    H    1.77729    -1.08399   0.26571   
 H9670    H    1.77734    -1.08485   0.35256   
 H9671    H    1.72969    -1.04912   0.35458   
 H9672    H    1.73103    -1.13573   0.73312   
 H9673    H    1.77836    -1.10013   0.73437   
 H9674    H    1.77651    -1.09749   0.64789   
 H9675    H    1.72904    -1.13346   0.64660   
 H9676    H    1.73110    -0.99527   0.50399   
 H9677    H    1.77880    -1.01167   0.58846   
 H9678    H    1.77780    -1.04057   0.55129   
 H9679    H    1.72991    -1.02408   0.46597   
 H9680    H    1.75215    -1.04004   0.41561   
 H9681    H    1.74935    -1.12664   0.42348   
 H9682    H    1.74930    -1.05671   0.57655   
 H9683    H    1.75210    -1.14331   0.58442   
 H9684    H    1.74937    -1.10032   0.38045   
 H9685    H    1.74929    -1.08303   0.61958   
 O9686    O    1.76568    -1.20097   0.39182   
 O9687    O    1.74160    -1.20943   0.44009   
 O9688    O    1.74048    -1.05702   0.18961   
 O9689    O    1.76511    -1.07615   0.18820   
 O9690    O    1.74081    -0.97445   0.56169   
 O9691    O    1.74193    -1.12781   0.81063   
 O9692    O    1.76837    -1.11070   0.81251   
 O9693    O    1.76790    -0.98111   0.60178   
 H9694    H    1.70015    -1.24770   0.35749   
 O9695    O    1.71396    -1.24830   0.35391   
 H9696    H    1.22848    -1.22867   0.44307   
 O9697    O    1.23400    -1.23443   0.41632   
 H9698    H    1.79613    -0.97098   0.59131   
 H9699    H    1.80049    -0.95094   0.59497   
 H9700    H    1.79964    -0.93406   0.53500   
 O9701    O    1.79935    -0.93242   0.56843   
 O9702    O    1.79909    -0.96201   0.61371   
 H9703    H    1.47166    -0.98146   0.43649   
 O9704    O    1.47996    -0.98676   0.41354   
 H9705    H    1.52820    -1.03199   0.40049   
 O9706    O    1.52014    -1.02339   0.38587   
 H9707    H    1.51355    -1.19358   0.49320   
 H9708    H    1.50024    -1.20646   0.52176   
 H9709    H    1.51056    -1.23092   0.54766   
 O9710    O    1.49966    -1.22361   0.55448   
 O9711    O    1.50074    -1.19467   0.50627   
 H9712    H    1.51072    -0.95241   0.45223   
 H9713    H    1.50034    -0.97683   0.47822   
 H9714    H    1.51362    -0.98969   0.50677   
 O9715    O    1.50080    -0.98861   0.49372   
 O9716    O    1.49980    -0.95968   0.44542   
 H9717    H    1.49968    -1.13607   0.58692   
 H9718    H    1.48918    -1.14569   0.52100   
 H9719    H    1.48651    -1.12546   0.62188   
 O9720    O    1.50017    -1.14819   0.54051   
 O9721    O    1.49929    -1.13033   0.61884   
 H9722    H    1.47154    -1.20189   0.56352   
 O9723    O    1.47984    -1.19658   0.58640   
 H9724    H    1.52814    -1.15128   0.59942   
 O9725    O    1.52007    -1.15988   0.61404   
 H9726    H    1.48658    -1.05785   0.37809   
 H9727    H    1.48926    -1.03760   0.47895   
 H9728    H    1.49976    -1.04723   0.41305   
 O9729    O    1.49937    -1.05298   0.38116   
 O9730    O    1.50026    -1.03510   0.45946   
 Zr9731   Zr   1.26807    -0.94793   0.58473   
 Zr9732   Zr   1.73176    -0.94794   0.58469   
 Zr9733   Zr   1.46384    -1.00000   0.35013   
 Zr9734   Zr   1.49954    -1.17392   0.56467   
 Zr9735   Zr   1.49961    -1.00939   0.43528   
 O9736    O    1.27600    -0.93516   0.64542   
 O9737    O    1.74296    -1.22729   0.35172   
 O9738    O    1.76069    -0.94499   0.60121   
 O9739    O    1.25833    -1.22763   0.35019   
 O9740    O    1.51523    -1.19258   0.60470   
 O9741    O    1.48456    -1.16661   0.62456   
 O9742    O    1.48463    -1.01674   0.37541   
 O9743    O    1.51534    -0.99069   0.39520   
 H9744    H    1.18962    -0.25789   0.42663   
 H9745    H    1.19907    -0.23273   0.40396   
 H9746    H    1.19013    -0.22334   0.35978   
 O9747    O    1.19999    -0.22205   0.38348   
 O9748    O    1.20078    -0.25082   0.43253   
 C9749    C    0.82298    -0.42705   0.49128   
 C9750    C    0.81757    -0.41545   0.52662   
 C9751    C    0.82611    -0.39904   0.52778   
 C9752    C    0.83961    -0.39426   0.49402   
 C9753    C    0.84511    -0.40579   0.45830   
 C9754    C    0.83659    -0.42231   0.45781   
 C9755    C    0.82324    -0.30470   0.29164   
 C9756    C    0.81757    -0.29892   0.33614   
 C9757    C    0.82680    -0.30577   0.37574   
 C9758    C    0.84093    -0.31841   0.37105   
 C9759    C    0.84643    -0.32457   0.32656   
 C9760    C    0.83749    -0.31725   0.28699   
 C9761    C    0.80220    -0.42030   0.56066   
 C9762    C    0.80164    -0.28603   0.34032   
 C9763    C    0.91774    -0.33118   0.17610   
 C9764    C    0.93716    -0.33237   0.18978   
 C9765    C    0.94151    -0.33771   0.23553   
 C9766    C    0.92679    -0.34211   0.26648   
 C9767    C    0.90728    -0.34138   0.25268   
 C9768    C    0.90306    -0.33556   0.20713   
 C9769    C    0.91823    -0.45213   0.37293   
 C9770    C    0.93754    -0.44694   0.37747   
 C9771    C    0.94166    -0.42947   0.38580   
 C9772    C    0.92682    -0.41740   0.38840   
 C9773    C    0.90740    -0.42244   0.38295   
 C9774    C    0.90340    -0.44007   0.37583   
 C9775    C    0.95327    -0.45998   0.37321   
 C9776    C    0.95296    -0.32835   0.15618   
 C9777    C    0.86120    -0.33670   0.32268   
 C9778    C    0.86219    -0.35250   0.34967   
 C9779    C    0.84693    -0.35803   0.37676   
 C9780    C    0.87634    -0.33412   0.28978   
 C9781    C    0.87769    -0.36424   0.34573   
 C9782    C    0.89264    -0.41022   0.39144   
 C9783    C    0.89250    -0.39374   0.36751   
 C9784    C    0.90566    -0.38989   0.33287   
 C9785    C    0.87630    -0.41377   0.41998   
 C9786    C    0.87768    -0.38147   0.37389   
 C9787    C    0.86116    -0.40184   0.42916   
 C9788    C    0.86217    -0.38566   0.40387   
 C9789    C    0.84692    -0.37424   0.40327   
 C9790    C    0.89268    -0.34509   0.28496   
 C9791    C    0.89252    -0.36059   0.31331   
 C9792    C    0.90567    -0.37368   0.30637   
 H9793    H    0.81625    -0.43969   0.49042   
 H9794    H    0.82173    -0.39003   0.55495   
 H9795    H    0.84594    -0.38142   0.49528   
 H9796    H    0.84059    -0.43147   0.43068   
 H9797    H    0.81617    -0.29928   0.26111   
 H9798    H    0.82238    -0.30130   0.41022   
 H9799    H    0.84771    -0.32371   0.40224   
 H9800    H    0.84161    -0.32162   0.25218   
 H9801    H    0.91449    -0.32690   0.14074   
 H9802    H    0.95653    -0.33837   0.24620   
 H9803    H    0.93042    -0.34632   0.30173   
 H9804    H    0.88810    -0.33463   0.19583   
 H9805    H    0.91516    -0.46570   0.36682   
 H9806    H    0.95662    -0.42557   0.39015   
 H9807    H    0.93030    -0.40392   0.39464   
 H9808    H    0.88851    -0.44428   0.37198   
 H9809    H    0.87611    -0.32250   0.26964   
 H9810    H    0.91559    -0.39931   0.32150   
 H9811    H    0.83379    -0.35119   0.37653   
 H9812    H    0.87606    -0.42576   0.43845   
 H9813    H    0.91560    -0.37299   0.27847   
 H9814    H    0.83378    -0.37751   0.41956   
 O9815    O    0.79297    -0.28206   0.30260   
 O9816    O    0.79404    -0.43479   0.55435   
 O9817    O    0.79811    -0.40955   0.59282   
 O9818    O    0.79759    -0.28026   0.38073   
 O9819    O    0.97023    -0.33007   0.17048   
 O9820    O    0.94790    -0.32350   0.11555   
 O9821    O    0.94805    -0.47557   0.36778   
 O9822    O    0.97061    -0.45466   0.37535   
 C9823    C    1.17685    -0.42689   0.49115   
 C9824    C    1.18254    -0.41512   0.52586   
 C9825    C    1.17339    -0.39898   0.52793   
 C9826    C    1.15928    -0.39454   0.49541   
 C9827    C    1.15376    -0.40615   0.45981   
 C9828    C    1.16267    -0.42247   0.45882   
 C9829    C    1.17672    -0.30463   0.29092   
 C9830    C    1.18216    -0.29858   0.33532   
 C9831    C    1.17349    -0.30585   0.37511   
 C9832    C    1.15997    -0.31906   0.37060   
 C9833    C    1.15453    -0.32532   0.32624   
 C9834    C    1.16310    -0.31774   0.28649   
 C9835    C    1.19838    -0.41985   0.55889   
 C9836    C    1.19761    -0.28528   0.33971   
 C9837    C    1.08190    -0.33011   0.17764   
 C9838    C    1.06255    -0.33096   0.19205   
 C9839    C    1.05841    -0.33648   0.23774   
 C9840    C    1.07319    -0.34145   0.26788   
 C9841    C    1.09264    -0.34098   0.25340   
 C9842    C    1.09667    -0.33498   0.20793   
 C9843    C    1.08205    -0.45238   0.37782   
 C9844    C    1.06273    -0.44733   0.38337   
 C9845    C    1.05851    -0.42977   0.38984   
 C9846    C    1.07325    -0.41753   0.38996   
 C9847    C    1.09269    -0.42245   0.38405   
 C9848    C    1.09676    -0.44014   0.37833   
 C9849    C    1.04692    -0.32638   0.15833   
 C9850    C    1.04700    -0.46043   0.37988   
 C9851    C    1.10737    -0.34509   0.28496   
 C9852    C    1.10750    -0.36059   0.31328   
 C9853    C    1.09437    -0.37368   0.30636   
 C9854    C    1.12370    -0.33413   0.28977   
 C9855    C    1.12232    -0.36423   0.34574   
 C9856    C    1.13878    -0.40184   0.42916   
 C9857    C    1.13781    -0.38566   0.40385   
 C9858    C    1.15304    -0.37424   0.40325   
 C9859    C    1.12367    -0.41377   0.41999   
 C9860    C    1.12230    -0.38147   0.37389   
 C9861    C    1.10733    -0.41022   0.39144   
 C9862    C    1.10749    -0.39375   0.36748   
 C9863    C    1.09436    -0.38990   0.33286   
 C9864    C    1.13882    -0.33670   0.32268   
 C9865    C    1.13783    -0.35251   0.34965   
 C9866    C    1.15305    -0.35803   0.37675   
 H9867    H    1.18390    -0.43941   0.48980   
 H9868    H    1.17785    -0.38987   0.55484   
 H9869    H    1.15255    -0.38188   0.49733   
 H9870    H    1.15853    -0.43174   0.43204   
 H9871    H    1.18350    -0.29900   0.26026   
 H9872    H    1.17784    -0.30124   0.40947   
 H9873    H    1.15360    -0.32464   0.40193   
 H9874    H    1.15912    -0.32228   0.25179   
 H9875    H    1.08505    -0.32575   0.14233   
 H9876    H    1.04342    -0.33715   0.24879   
 H9877    H    1.06963    -0.34589   0.30293   
 H9878    H    1.11158    -0.33432   0.19600   
 H9879    H    1.08522    -0.46597   0.37270   
 H9880    H    1.04355    -0.42588   0.39374   
 H9881    H    1.06966    -0.40398   0.39450   
 H9882    H    1.11165    -0.44431   0.37389   
 H9883    H    1.16618    -0.37751   0.41955   
 H9884    H    1.12393    -0.32250   0.26964   
 H9885    H    1.12388    -0.42577   0.43845   
 H9886    H    1.08445    -0.37299   0.27848   
 H9887    H    1.16619    -0.35119   0.37652   
 H9888    H    1.08444    -0.39931   0.32151   
 O9889    O    1.20587    -0.28061   0.30205   
 O9890    O    1.20239    -0.40938   0.59167   
 O9891    O    1.20700    -0.43404   0.55091   
 O9892    O    1.20172    -0.27986   0.38052   
 O9893    O    1.05206    -0.47573   0.36970   
 O9894    O    1.02965    -0.32625   0.17321   
 O9895    O    1.05214    -0.32327   0.11651   
 O9896    O    1.02976    -0.45534   0.38633   
 H9897    H    0.76464    -0.41280   0.54810   
 O9898    O    0.76077    -0.41822   0.57700   
 H9899    H    0.80984    -0.25935   0.41878   
 H9900    H    0.80089    -0.24054   0.41691   
 H9901    H    0.81037    -0.22136   0.36728   
 O9902    O    0.79918    -0.22278   0.38692   
 O9903    O    0.79999    -0.25221   0.43288   
 H9904    H    0.70025    -0.47057   0.59446   
 H9905    H    0.69933    -0.44314   0.58199   
 H9906    H    0.70368    -0.43498   0.53231   
 O9907    O    0.70073    -0.43185   0.56425   
 O9908    O    0.70050    -0.46046   0.61402   
 H9909    H    0.76350    -0.29319   0.35061   
 O9910    O    0.75930    -0.28132   0.35067   
 H9911    H    1.23643    -0.41313   0.54662   
 O9912    O    1.24061    -0.41864   0.57513   
 H9913    H    1.23529    -0.29288   0.35199   
 O9914    O    1.23916    -0.28092   0.35249   
 Zr9915   Zr   0.77367    -0.40837   0.64655   
 Zr9916   Zr   0.72667    -0.27538   0.35203   
 Zr9917   Zr   1.27326    -0.42092   0.59009   
 Zr9918   Zr   1.22623    -0.26283   0.40848   
 Zr9919   Zr   1.00045    -0.46852   0.37567   
 Zr9920   Zr   1.03629    -0.49993   0.35006   
 O9921    O    0.73916    -0.44388   0.59934   
 O9922    O    1.22381    -0.43406   0.64351   
 C9923    C    0.75861    -0.62738   0.71385   
 C9924    C    0.74494    -0.61773   0.73898   
 C9925    C    0.73166    -0.60757   0.71415   
 C9926    C    0.73233    -0.60672   0.66550   
 C9927    C    0.74627    -0.61608   0.64001   
 C9928    C    0.75919    -0.62658   0.66519   
 C9929    C    0.75868    -0.50517   0.51337   
 C9930    C    0.74479    -0.50136   0.54765   
 C9931    C    0.73193    -0.51437   0.56163   
 C9932    C    0.73313    -0.53086   0.54241   
 C9933    C    0.74713    -0.53485   0.50827   
 C9934    C    0.75976    -0.52161   0.49396   
 C9935    C    0.74513    -0.61819   0.79122   
 C9936    C    0.74454    -0.48402   0.57024   
 C9937    C    0.75996    -0.67761   0.48469   
 C9938    C    0.74667    -0.68131   0.44899   
 C9939    C    0.73318    -0.66866   0.43608   
 C9940    C    0.73327    -0.65257   0.45774   
 C9941    C    0.74686    -0.64858   0.49279   
 C9942    C    0.75998    -0.66152   0.50630   
 C9943    C    0.76003    -0.55709   0.28590   
 C9944    C    0.74639    -0.56682   0.26094   
 C9945    C    0.73304    -0.57691   0.28579   
 C9946    C    0.73362    -0.57759   0.33445   
 C9947    C    0.74752    -0.56812   0.35978   
 C9948    C    0.76050    -0.55768   0.33458   
 C9949    C    0.74637    -0.56633   0.20874   
 C9950    C    0.74704    -0.69826   0.42444   
 C9951    C    0.74614    -0.56749   0.40905   
 C9952    C    0.74529    -0.58318   0.43657   
 C9953    C    0.74738    -0.59922   0.41637   
 C9954    C    0.74733    -0.55186   0.43490   
 C9955    C    0.74458    -0.58306   0.48593   
 C9956    C    0.74608    -0.61586   0.59098   
 C9957    C    0.74524    -0.60017   0.56348   
 C9958    C    0.74733    -0.58413   0.58366   
 C9959    C    0.74731    -0.63150   0.56512   
 C9960    C    0.74457    -0.60029   0.51409   
 C9961    C    0.74611    -0.63263   0.51553   
 C9962    C    0.74527    -0.61633   0.49077   
 C9963    C    0.74737    -0.61543   0.44287   
 C9964    C    0.74611    -0.55072   0.48449   
 C9965    C    0.74526    -0.56701   0.50928   
 C9966    C    0.74733    -0.56792   0.55716   
 H9967    H    0.76880    -0.63529   0.73316   
 H9968    H    0.72111    -0.60010   0.73372   
 H9969    H    0.72207    -0.59859   0.64704   
 H9970    H    0.76995    -0.63409   0.64635   
 H9971    H    0.76864    -0.49507   0.50279   
 H9972    H    0.72128    -0.51144   0.58843   
 H9973    H    0.72317    -0.54080   0.55412   
 H9974    H    0.77066    -0.52431   0.46752   
 H9975    H    0.77027    -0.68752   0.49472   
 H9976    H    0.72274    -0.67166   0.40895   
 H9977    H    0.72277    -0.64288   0.44714   
 H9978    H    0.77047    -0.65885   0.53377   
 H9979    H    0.77022    -0.54921   0.26643   
 H9980    H    0.72228    -0.58417   0.26632   
 H9981    H    0.72323    -0.58554   0.35307   
 H9982    H    0.77123    -0.55014   0.35338   
 H9983    H    0.75054    -0.58303   0.61957   
 H9984    H    0.74780    -0.54004   0.41560   
 H9985    H    0.74775    -0.64331   0.58442   
 H9986    H    0.75062    -0.60032   0.38045   
 H9987    H    0.75055    -0.55671   0.57655   
 H9988    H    0.75061    -0.62664   0.42347   
 O9989    O    0.75784    -0.47360   0.55843   
 O9990    O    0.73187    -0.61020   0.81288   
 O9991    O    0.75898    -0.62639   0.81018   
 O9992    O    0.73140    -0.48100   0.60023   
 O9993    O    0.73491    -0.70064   0.39169   
 O9994    O    0.75957    -0.70908   0.43823   
 O9995    O    0.75843    -0.55621   0.18958   
 O9996    O    0.73439    -0.57594   0.18735   
 C9997    C    1.23996    -0.67751   0.48268   
 C9998    C    1.25361    -0.68115   0.44779   
 C9999    C    1.26696    -0.66835   0.43518   
 C10000   C    1.26639    -0.65214   0.45622   
 C10001   C    1.25251    -0.64826   0.49073   
 C10002   C    1.23948    -0.66135   0.50395   
 C10003   C    1.24015    -0.55642   0.28673   
 C10004   C    1.25339    -0.56641   0.26127   
 C10005   C    1.26689    -0.57649   0.28558   
 C10006   C    1.26684    -0.57690   0.33428   
 C10007   C    1.25328    -0.56728   0.36016   
 C10008   C    1.24014    -0.55685   0.33543   
 C10009   C    1.25299    -0.56656   0.20916   
 C10010   C    1.25366    -0.69843   0.42473   
 C10011   C    1.24099    -0.62752   0.71400   
 C10012   C    1.25488    -0.61819   0.73915   
 C10013   C    1.26772    -0.60748   0.71472   
 C10014   C    1.26653    -0.60598   0.66618   
 C10015   C    1.25259    -0.61526   0.64057   
 C10016   C    1.23992    -0.62613   0.66548   
 C10017   C    1.24127    -0.50529   0.51386   
 C10018   C    1.25492    -0.50164   0.54878   
 C10019   C    1.26822    -0.51449   0.56138   
 C10020   C    1.26752    -0.53072   0.54052   
 C10021   C    1.25360    -0.53464   0.50615   
 C10022   C    1.24067    -0.52149   0.49279   
 C10023   C    1.25520    -0.61903   0.79125   
 C10024   C    1.25469    -0.48444   0.57235   
 C10025   C    1.25380    -0.55072   0.48449   
 C10026   C    1.25464    -0.56702   0.50926   
 C10027   C    1.25254    -0.56792   0.55715   
 C10028   C    1.25261    -0.55185   0.43492   
 C10029   C    1.25534    -0.58306   0.48593   
 C10030   C    1.25380    -0.63263   0.51553   
 C10031   C    1.25465    -0.61634   0.49074   
 C10032   C    1.25257    -0.61544   0.44286   
 C10033   C    1.25256    -0.63150   0.56510   
 C10034   C    1.25533    -0.60029   0.51410   
 C10035   C    1.25377    -0.61586   0.59097   
 C10036   C    1.25462    -0.60017   0.56346   
 C10037   C    1.25253    -0.58413   0.58366   
 C10038   C    1.25383    -0.56750   0.40905   
 C10039   C    1.25466    -0.58319   0.43654   
 C10040   C    1.25258    -0.59922   0.41636   
 H10041   H    1.22977    -0.68754   0.49252   
 H10042   H    1.27773    -0.67130   0.40870   
 H10043   H    1.27679    -0.64235   0.44584   
 H10044   H    1.22876    -0.65876   0.53082   
 H10045   H    1.22985    -0.54855   0.26761   
 H10046   H    1.27729    -0.58399   0.26571   
 H10047   H    1.27734    -0.58485   0.35256   
 H10048   H    1.22969    -0.54912   0.35458   
 H10049   H    1.23103    -0.63573   0.73312   
 H10050   H    1.27836    -0.60013   0.73437   
 H10051   H    1.27651    -0.59749   0.64789   
 H10052   H    1.22904    -0.63346   0.64660   
 H10053   H    1.23110    -0.49527   0.50399   
 H10054   H    1.27880    -0.51167   0.58846   
 H10055   H    1.27780    -0.54057   0.55129   
 H10056   H    1.22991    -0.52408   0.46597   
 H10057   H    1.25215    -0.54004   0.41561   
 H10058   H    1.24935    -0.62664   0.42348   
 H10059   H    1.24930    -0.55671   0.57655   
 H10060   H    1.25210    -0.64331   0.58442   
 H10061   H    1.24937    -0.60032   0.38045   
 H10062   H    1.24929    -0.58303   0.61958   
 O10063   O    1.26568    -0.70097   0.39182   
 O10064   O    1.24160    -0.70943   0.44009   
 O10065   O    1.24048    -0.55702   0.18961   
 O10066   O    1.26511    -0.57615   0.18820   
 O10067   O    1.24081    -0.47445   0.56169   
 O10068   O    1.24193    -0.62781   0.81063   
 O10069   O    1.26837    -0.61070   0.81251   
 O10070   O    1.26790    -0.48111   0.60178   
 H10071   H    1.20015    -0.74770   0.35749   
 O10072   O    1.21396    -0.74830   0.35391   
 H10073   H    0.72848    -0.72867   0.44307   
 O10074   O    0.73400    -0.73443   0.41632   
 H10075   H    1.29613    -0.47098   0.59131   
 H10076   H    1.30049    -0.45094   0.59497   
 H10077   H    1.29964    -0.43406   0.53500   
 O10078   O    1.29935    -0.43242   0.56843   
 O10079   O    1.29909    -0.46201   0.61371   
 H10080   H    0.97166    -0.48146   0.43649   
 O10081   O    0.97996    -0.48676   0.41354   
 H10082   H    1.02820    -0.53199   0.40049   
 O10083   O    1.02014    -0.52339   0.38587   
 H10084   H    1.01355    -0.69358   0.49320   
 H10085   H    1.00024    -0.70646   0.52176   
 H10086   H    1.01056    -0.73092   0.54766   
 O10087   O    0.99966    -0.72361   0.55448   
 O10088   O    1.00074    -0.69467   0.50627   
 H10089   H    1.01072    -0.45241   0.45223   
 H10090   H    1.00034    -0.47683   0.47822   
 H10091   H    1.01362    -0.48969   0.50677   
 O10092   O    1.00080    -0.48861   0.49372   
 O10093   O    0.99980    -0.45968   0.44542   
 H10094   H    0.99968    -0.63607   0.58692   
 H10095   H    0.98918    -0.64569   0.52100   
 H10096   H    0.98651    -0.62546   0.62188   
 O10097   O    1.00017    -0.64819   0.54051   
 O10098   O    0.99929    -0.63033   0.61884   
 H10099   H    0.97154    -0.70189   0.56352   
 O10100   O    0.97984    -0.69658   0.58640   
 H10101   H    1.02814    -0.65128   0.59942   
 O10102   O    1.02007    -0.65988   0.61404   
 H10103   H    0.98658    -0.55785   0.37809   
 H10104   H    0.98926    -0.53760   0.47895   
 H10105   H    0.99976    -0.54723   0.41305   
 O10106   O    0.99937    -0.55298   0.38116   
 O10107   O    1.00026    -0.53510   0.45946   
 Zr10108  Zr   0.76807    -0.44793   0.58473   
 Zr10109  Zr   1.23176    -0.44794   0.58469   
 Zr10110  Zr   0.96384    -0.50000   0.35013   
 Zr10111  Zr   0.99954    -0.67392   0.56467   
 Zr10112  Zr   0.99961    -0.50939   0.43528   
 O10113   O    0.77600    -0.43516   0.64542   
 O10114   O    1.24296    -0.72729   0.35172   
 O10115   O    1.26069    -0.44499   0.60121   
 O10116   O    0.75833    -0.72763   0.35019   
 O10117   O    1.01523    -0.69258   0.60470   
 O10118   O    0.98456    -0.66661   0.62456   
 O10119   O    0.98463    -0.51674   0.37541   
 O10120   O    1.01534    -0.49069   0.39520   
 C10121   C    1.17754    -0.87761   0.70953   
 C10122   C    1.18368    -0.88322   0.66524   
 C10123   C    1.17455    -0.87661   0.62522   
 C10124   C    1.15992    -0.86439   0.62943   
 C10125   C    1.15401    -0.85835   0.67368   
 C10126   C    1.16291    -0.86542   0.71363   
 C10127   C    1.17816    -0.75695   0.51140   
 C10128   C    1.18383    -0.76880   0.47691   
 C10129   C    1.17461    -0.78491   0.47468   
 C10130   C    1.16035    -0.78922   0.50699   
 C10131   C    1.15482    -0.77754   0.54230   
 C10132   C    1.16380    -0.76124   0.54345   
 C10133   C    1.19953    -0.76412   0.44354   
 C10134   C    1.19984    -0.89575   0.66056   
 C10135   C    1.08181    -0.73094   0.62282   
 C10136   C    1.06249    -0.73595   0.61713   
 C10137   C    1.05819    -0.75349   0.61084   
 C10138   C    1.07288    -0.76578   0.61087   
 C10139   C    1.09232    -0.76089   0.61672   
 C10140   C    1.09648    -0.74321   0.62242   
 C10141   C    1.08173    -0.85334   0.82223   
 C10142   C    1.06240    -0.85245   0.80772   
 C10143   C    1.05834    -0.84698   0.76191   
 C10144   C    1.07318    -0.84206   0.73191   
 C10145   C    1.09260    -0.84253   0.74651   
 C10146   C    1.09658    -0.84853   0.79205   
 C10147   C    1.04682    -0.72283   0.62023   
 C10148   C    1.04669    -0.85691   0.84141   
 C10149   C    1.13874    -0.78152   0.57086   
 C10150   C    1.13774    -0.79770   0.59615   
 C10151   C    1.15299    -0.80911   0.59676   
 C10152   C    1.12361    -0.76958   0.58004   
 C10153   C    1.12223    -0.80189   0.62613   
 C10154   C    1.10723    -0.83826   0.71506   
 C10155   C    1.10739    -0.82276   0.68671   
 C10156   C    1.09424    -0.80967   0.69365   
 C10157   C    1.12357    -0.84923   0.71024   
 C10158   C    1.12222    -0.81912   0.65430   
 C10159   C    1.13871    -0.84665   0.67734   
 C10160   C    1.13772    -0.83085   0.65035   
 C10161   C    1.15298    -0.82532   0.62326   
 C10162   C    1.10726    -0.77313   0.60858   
 C10163   C    1.10740    -0.78961   0.63251   
 C10164   C    1.09425    -0.79346   0.66715   
 H10165   H    1.18458    -0.88290   0.74036   
 H10166   H    1.17913    -0.88117   0.59107   
 H10167   H    1.15306    -0.85933   0.59803   
 H10168   H    1.15842    -0.86117   0.74823   
 H10169   H    1.18527    -0.74446   0.51265   
 H10170   H    1.17880    -0.79391   0.44739   
 H10171   H    1.15343    -0.80179   0.50485   
 H10172   H    1.15964    -0.75195   0.57009   
 H10173   H    1.08502    -0.71735   0.62791   
 H10174   H    1.04320    -0.75734   0.60691   
 H10175   H    1.06925    -0.77934   0.60637   
 H10176   H    1.11135    -0.73907   0.62694   
 H10177   H    1.08481    -0.85769   0.85758   
 H10178   H    1.04336    -0.84628   0.75067   
 H10179   H    1.06970    -0.83763   0.69678   
 H10180   H    1.11144    -0.84923   0.80410   
 H10181   H    1.12385    -0.75759   0.56157   
 H10182   H    1.08431    -0.81036   0.72155   
 H10183   H    1.16613    -0.80584   0.58047   
 H10184   H    1.12380    -0.86085   0.73038   
 H10185   H    1.08432    -0.78404   0.67852   
 H10186   H    1.16612    -0.83216   0.62349   
 O10187   O    1.20498    -0.90000   0.61941   
 O10188   O    1.20729    -0.90125   0.69831   
 O10189   O    1.20639    -0.74897   0.44700   
 O10190   O    1.20490    -0.77550   0.41422   
 O10191   O    1.05189    -0.85997   0.88328   
 O10192   O    1.05191    -0.70752   0.63024   
 O10193   O    1.02957    -0.72789   0.61366   
 O10194   O    1.02943    -0.85701   0.82655   
 C10195   C    0.82168    -0.87730   0.70848   
 C10196   C    0.81601    -0.88308   0.66399   
 C10197   C    0.82522    -0.87628   0.62436   
 C10198   C    0.83949    -0.86372   0.62899   
 C10199   C    0.84505    -0.85762   0.67349   
 C10200   C    0.83603    -0.86484   0.71313   
 C10201   C    0.82241    -0.75643   0.51156   
 C10202   C    0.81625    -0.76831   0.47761   
 C10203   C    0.82539    -0.78443   0.47474   
 C10204   C    0.84006    -0.78874   0.50591   
 C10205   C    0.84600    -0.77708   0.54096   
 C10206   C    0.83709    -0.76077   0.54266   
 C10207   C    0.80006    -0.76403   0.44540   
 C10208   C    0.80034    -0.89619   0.65967   
 C10209   C    0.91809    -0.73138   0.62736   
 C10210   C    0.93741    -0.73651   0.62278   
 C10211   C    0.94154    -0.75397   0.61446   
 C10212   C    0.92671    -0.76608   0.61186   
 C10213   C    0.90727    -0.76108   0.61726   
 C10214   C    0.90327    -0.74346   0.62443   
 C10215   C    0.91749    -0.85234   0.82385   
 C10216   C    0.93689    -0.85106   0.81018   
 C10217   C    0.94128    -0.84574   0.76446   
 C10218   C    0.92657    -0.84140   0.73345   
 C10219   C    0.90705    -0.84221   0.74717   
 C10220   C    0.90281    -0.84802   0.79271   
 C10221   C    0.95270    -0.85502   0.84384   
 C10222   C    0.95314    -0.72344   0.62693   
 C10223   C    0.89257    -0.77313   0.60858   
 C10224   C    0.89242    -0.78960   0.63254   
 C10225   C    0.90555    -0.79346   0.66716   
 C10226   C    0.87625    -0.76958   0.58005   
 C10227   C    0.87760    -0.80189   0.62612   
 C10228   C    0.86109    -0.84665   0.67734   
 C10229   C    0.86208    -0.83085   0.65037   
 C10230   C    0.84686    -0.82532   0.62328   
 C10231   C    0.87620    -0.84923   0.71023   
 C10232   C    0.87760    -0.81912   0.65430   
 C10233   C    0.89254    -0.83826   0.71506   
 C10234   C    0.89241    -0.82276   0.68674   
 C10235   C    0.90554    -0.80967   0.69366   
 C10236   C    0.86112    -0.78152   0.57086   
 C10237   C    0.86210    -0.79769   0.59617   
 C10238   C    0.84687    -0.80911   0.59678   
 H10239   H    0.81458    -0.88272   0.73902   
 H10240   H    0.82103    -0.88099   0.58998   
 H10241   H    0.84640    -0.85855   0.59785   
 H10242   H    0.84019    -0.86049   0.74789   
 H10243   H    0.81536    -0.74394   0.51325   
 H10244   H    0.82076    -0.79347   0.44795   
 H10245   H    0.84691    -0.80131   0.50340   
 H10246   H    0.84159    -0.75145   0.56897   
 H10247   H    0.91500    -0.71781   0.63345   
 H10248   H    0.95650    -0.75788   0.61010   
 H10249   H    0.93019    -0.77956   0.60561   
 H10250   H    0.88839    -0.73923   0.62826   
 H10251   H    0.91424    -0.85661   0.85917   
 H10252   H    0.95631    -0.84502   0.75386   
 H10253   H    0.93021    -0.83721   0.69823   
 H10254   H    0.88785    -0.84898   0.80400   
 H10255   H    0.87603    -0.75759   0.56157   
 H10256   H    0.83372    -0.83216   0.62350   
 H10257   H    0.91547    -0.78404   0.67852   
 H10258   H    0.87598    -0.86085   0.73039   
 H10259   H    0.83373    -0.80584   0.58048   
 H10260   H    0.91546    -0.81036   0.72154   
 O10261   O    0.79502    -0.90051   0.61874   
 O10262   O    0.79351    -0.90216   0.69764   
 O10263   O    0.79258    -0.74916   0.44983   
 O10264   O    0.79489    -0.77548   0.41607   
 O10265   O    0.97048    -0.72871   0.62469   
 O10266   O    0.94790    -0.70783   0.63227   
 O10267   O    0.94762    -0.85987   0.88445   
 O10268   O    0.96997    -0.85326   0.82958   
 H10269   H    1.24548    -0.79601   0.41881   
 H10270   H    1.26518    -0.78885   0.47368   
 H10271   H    1.22289    -0.79709   0.42669   
 O10272   O    1.26597    -0.78949   0.44005   
 O10273   O    1.23265    -0.79824   0.40269   
 H10274   H    1.27148    -0.72963   0.44473   
 O10275   O    1.26597    -0.73569   0.41850   
 H10276   H    1.26360    -0.87557   0.62159   
 H10277   H    1.22398    -0.88598   0.56503   
 H10278   H    1.25420    -0.88720   0.58212   
 O10279   O    1.26663    -0.88466   0.59958   
 O10280   O    1.23419    -0.89413   0.55908   
 H10281   H    0.74572    -0.79367   0.42933   
 H10282   H    0.77594    -0.79982   0.42432   
 H10283   H    0.73629    -0.78622   0.47557   
 O10284   O    0.76573    -0.79795   0.40201   
 O10285   O    0.73327    -0.78916   0.44351   
 H10286   H    0.79985    -0.74864   0.35923   
 O10287   O    0.78605    -0.74956   0.35614   
 H10288   H    0.77700    -0.88644   0.57273   
 H10289   H    0.73469    -0.87500   0.61442   
 H10290   H    0.75442    -0.88953   0.57163   
 O10291   O    0.76723    -0.89373   0.55880   
 O10292   O    0.73390    -0.88566   0.59719   
 Zr10293  Zr   1.23191    -0.73555   0.41514   
 Zr10294  Zr   1.27114    -0.76496   0.41047   
 Zr10295  Zr   1.22839    -0.91813   0.59098   
 Zr10296  Zr   0.76807    -0.73554   0.41518   
 Zr10297  Zr   0.77153    -0.77634   0.35929   
 Zr10298  Zr   0.72875    -0.90675   0.64218   
 Zr10299  Zr   1.00032    -0.71477   0.62426   
 O10300   O    1.24168    -0.76044   0.40381   
 O10301   O    0.75704    -0.76010   0.40535   
 H10302   H    0.68962    0.24211    0.42663   
 H10303   H    0.69907    0.26727    0.40396   
 H10304   H    0.69013    0.27666    0.35978   
 O10305   O    0.69999    0.27795    0.38348   
 O10306   O    0.70078    0.24918    0.43253   
 C10307   C    0.32298    0.07295    0.49128   
 C10308   C    0.31757    0.08455    0.52662   
 C10309   C    0.32611    0.10096    0.52778   
 C10310   C    0.33961    0.10574    0.49402   
 C10311   C    0.34511    0.09421    0.45830   
 C10312   C    0.33659    0.07769    0.45781   
 C10313   C    0.32324    0.19530    0.29164   
 C10314   C    0.31757    0.20108    0.33614   
 C10315   C    0.32680    0.19423    0.37574   
 C10316   C    0.34093    0.18159    0.37105   
 C10317   C    0.34643    0.17543    0.32656   
 C10318   C    0.33749    0.18275    0.28699   
 C10319   C    0.30220    0.07970    0.56066   
 C10320   C    0.30164    0.21397    0.34032   
 C10321   C    0.41774    0.16882    0.17610   
 C10322   C    0.43716    0.16763    0.18978   
 C10323   C    0.44151    0.16229    0.23553   
 C10324   C    0.42679    0.15789    0.26648   
 C10325   C    0.40728    0.15862    0.25268   
 C10326   C    0.40306    0.16444    0.20713   
 C10327   C    0.41823    0.04787    0.37293   
 C10328   C    0.43754    0.05306    0.37747   
 C10329   C    0.44166    0.07053    0.38580   
 C10330   C    0.42682    0.08260    0.38840   
 C10331   C    0.40740    0.07756    0.38295   
 C10332   C    0.40340    0.05993    0.37583   
 C10333   C    0.45327    0.04002    0.37321   
 C10334   C    0.45296    0.17165    0.15618   
 C10335   C    0.36120    0.16330    0.32268   
 C10336   C    0.36219    0.14750    0.34967   
 C10337   C    0.34693    0.14197    0.37676   
 C10338   C    0.37634    0.16588    0.28978   
 C10339   C    0.37769    0.13576    0.34573   
 C10340   C    0.39264    0.08978    0.39144   
 C10341   C    0.39250    0.10626    0.36751   
 C10342   C    0.40566    0.11011    0.33287   
 C10343   C    0.37630    0.08623    0.41998   
 C10344   C    0.37768    0.11853    0.37389   
 C10345   C    0.36116    0.09816    0.42916   
 C10346   C    0.36217    0.11434    0.40387   
 C10347   C    0.34692    0.12576    0.40327   
 C10348   C    0.39268    0.15491    0.28496   
 C10349   C    0.39252    0.13941    0.31331   
 C10350   C    0.40567    0.12632    0.30637   
 H10351   H    0.31625    0.06031    0.49042   
 H10352   H    0.32173    0.10997    0.55495   
 H10353   H    0.34594    0.11858    0.49528   
 H10354   H    0.34059    0.06853    0.43068   
 H10355   H    0.31617    0.20072    0.26111   
 H10356   H    0.32238    0.19870    0.41022   
 H10357   H    0.34771    0.17629    0.40224   
 H10358   H    0.34161    0.17838    0.25218   
 H10359   H    0.41449    0.17310    0.14074   
 H10360   H    0.45653    0.16163    0.24620   
 H10361   H    0.43042    0.15368    0.30173   
 H10362   H    0.38810    0.16537    0.19583   
 H10363   H    0.41516    0.03430    0.36682   
 H10364   H    0.45662    0.07443    0.39015   
 H10365   H    0.43030    0.09608    0.39464   
 H10366   H    0.38851    0.05572    0.37198   
 H10367   H    0.37611    0.17750    0.26964   
 H10368   H    0.41559    0.10069    0.32150   
 H10369   H    0.33379    0.14881    0.37653   
 H10370   H    0.37606    0.07424    0.43845   
 H10371   H    0.41560    0.12701    0.27847   
 H10372   H    0.33378    0.12249    0.41956   
 O10373   O    0.29297    0.21794    0.30260   
 O10374   O    0.29404    0.06521    0.55435   
 O10375   O    0.29811    0.09045    0.59282   
 O10376   O    0.29759    0.21974    0.38073   
 O10377   O    0.47023    0.16993    0.17048   
 O10378   O    0.44790    0.17650    0.11555   
 O10379   O    0.44805    0.02443    0.36778   
 O10380   O    0.47061    0.04534    0.37535   
 C10381   C    0.67685    0.07311    0.49115   
 C10382   C    0.68254    0.08488    0.52586   
 C10383   C    0.67339    0.10102    0.52793   
 C10384   C    0.65928    0.10546    0.49541   
 C10385   C    0.65376    0.09385    0.45981   
 C10386   C    0.66267    0.07753    0.45882   
 C10387   C    0.67672    0.19537    0.29092   
 C10388   C    0.68216    0.20142    0.33532   
 C10389   C    0.67349    0.19415    0.37511   
 C10390   C    0.65997    0.18094    0.37060   
 C10391   C    0.65453    0.17468    0.32624   
 C10392   C    0.66310    0.18226    0.28649   
 C10393   C    0.69838    0.08015    0.55889   
 C10394   C    0.69761    0.21472    0.33971   
 C10395   C    0.58190    0.16989    0.17764   
 C10396   C    0.56255    0.16904    0.19205   
 C10397   C    0.55841    0.16352    0.23774   
 C10398   C    0.57319    0.15855    0.26788   
 C10399   C    0.59264    0.15902    0.25340   
 C10400   C    0.59667    0.16502    0.20793   
 C10401   C    0.58205    0.04762    0.37782   
 C10402   C    0.56273    0.05267    0.38337   
 C10403   C    0.55851    0.07023    0.38984   
 C10404   C    0.57325    0.08247    0.38996   
 C10405   C    0.59269    0.07755    0.38405   
 C10406   C    0.59676    0.05986    0.37833   
 C10407   C    0.54692    0.17362    0.15833   
 C10408   C    0.54700    0.03957    0.37988   
 C10409   C    0.60737    0.15491    0.28496   
 C10410   C    0.60750    0.13941    0.31328   
 C10411   C    0.59437    0.12632    0.30636   
 C10412   C    0.62370    0.16587    0.28977   
 C10413   C    0.62232    0.13577    0.34574   
 C10414   C    0.63878    0.09816    0.42916   
 C10415   C    0.63781    0.11434    0.40385   
 C10416   C    0.65304    0.12576    0.40325   
 C10417   C    0.62367    0.08623    0.41999   
 C10418   C    0.62230    0.11853    0.37389   
 C10419   C    0.60733    0.08978    0.39144   
 C10420   C    0.60749    0.10625    0.36748   
 C10421   C    0.59436    0.11010    0.33286   
 C10422   C    0.63882    0.16330    0.32268   
 C10423   C    0.63783    0.14749    0.34965   
 C10424   C    0.65305    0.14197    0.37675   
 H10425   H    0.68390    0.06059    0.48980   
 H10426   H    0.67785    0.11013    0.55484   
 H10427   H    0.65255    0.11812    0.49733   
 H10428   H    0.65853    0.06826    0.43204   
 H10429   H    0.68350    0.20100    0.26026   
 H10430   H    0.67784    0.19876    0.40947   
 H10431   H    0.65360    0.17536    0.40193   
 H10432   H    0.65912    0.17772    0.25179   
 H10433   H    0.58505    0.17425    0.14233   
 H10434   H    0.54342    0.16285    0.24879   
 H10435   H    0.56963    0.15411    0.30293   
 H10436   H    0.61158    0.16568    0.19600   
 H10437   H    0.58522    0.03403    0.37270   
 H10438   H    0.54355    0.07412    0.39374   
 H10439   H    0.56966    0.09602    0.39450   
 H10440   H    0.61165    0.05569    0.37389   
 H10441   H    0.66618    0.12249    0.41955   
 H10442   H    0.62393    0.17750    0.26964   
 H10443   H    0.62388    0.07423    0.43845   
 H10444   H    0.58445    0.12701    0.27848   
 H10445   H    0.66619    0.14881    0.37652   
 H10446   H    0.58444    0.10069    0.32151   
 O10447   O    0.70587    0.21939    0.30205   
 O10448   O    0.70239    0.09062    0.59167   
 O10449   O    0.70700    0.06596    0.55091   
 O10450   O    0.70172    0.22014    0.38052   
 O10451   O    0.55206    0.02427    0.36970   
 O10452   O    0.52965    0.17375    0.17321   
 O10453   O    0.55214    0.17673    0.11651   
 O10454   O    0.52976    0.04466    0.38633   
 H10455   H    0.26464    0.08720    0.54810   
 O10456   O    0.26077    0.08178    0.57700   
 H10457   H    0.30984    0.24065    0.41878   
 H10458   H    0.30089    0.25946    0.41691   
 H10459   H    0.31037    0.27864    0.36728   
 O10460   O    0.29918    0.27722    0.38692   
 O10461   O    0.29999    0.24779    0.43288   
 H10462   H    0.20025    0.02943    0.59446   
 H10463   H    0.19933    0.05686    0.58199   
 H10464   H    0.20368    0.06502    0.53231   
 O10465   O    0.20073    0.06815    0.56425   
 O10466   O    0.20050    0.03954    0.61402   
 H10467   H    0.26350    0.20681    0.35061   
 O10468   O    0.25930    0.21868    0.35067   
 H10469   H    0.73643    0.08687    0.54662   
 O10470   O    0.74061    0.08136    0.57513   
 H10471   H    0.73529    0.20712    0.35199   
 O10472   O    0.73916    0.21908    0.35249   
 Zr10473  Zr   0.27367    0.09163    0.64655   
 Zr10474  Zr   0.22667    0.22462    0.35203   
 Zr10475  Zr   0.77326    0.07908    0.59009   
 Zr10476  Zr   0.72623    0.23717    0.40848   
 Zr10477  Zr   0.50045    0.03148    0.37567   
 Zr10478  Zr   0.53629    0.00007    0.35006   
 O10479   O    0.23916    0.05612    0.59934   
 O10480   O    0.72381    0.06594    0.64351   
 C10481   C    0.25861    -0.12738   0.71385   
 C10482   C    0.24494    -0.11773   0.73898   
 C10483   C    0.23166    -0.10757   0.71415   
 C10484   C    0.23233    -0.10672   0.66550   
 C10485   C    0.24627    -0.11608   0.64001   
 C10486   C    0.25919    -0.12658   0.66519   
 C10487   C    0.25868    -0.00517   0.51337   
 C10488   C    0.24479    -0.00136   0.54765   
 C10489   C    0.23193    -0.01437   0.56163   
 C10490   C    0.23313    -0.03086   0.54241   
 C10491   C    0.24713    -0.03485   0.50827   
 C10492   C    0.25976    -0.02161   0.49396   
 C10493   C    0.24513    -0.11819   0.79122   
 C10494   C    0.24454    0.01598    0.57024   
 C10495   C    0.25996    -0.17761   0.48469   
 C10496   C    0.24667    -0.18131   0.44899   
 C10497   C    0.23318    -0.16866   0.43608   
 C10498   C    0.23327    -0.15257   0.45774   
 C10499   C    0.24686    -0.14858   0.49279   
 C10500   C    0.25998    -0.16152   0.50630   
 C10501   C    0.26003    -0.05709   0.28590   
 C10502   C    0.24639    -0.06682   0.26094   
 C10503   C    0.23304    -0.07691   0.28579   
 C10504   C    0.23362    -0.07759   0.33445   
 C10505   C    0.24752    -0.06812   0.35978   
 C10506   C    0.26050    -0.05768   0.33458   
 C10507   C    0.24637    -0.06633   0.20874   
 C10508   C    0.24704    -0.19826   0.42444   
 C10509   C    0.24614    -0.06749   0.40905   
 C10510   C    0.24529    -0.08318   0.43657   
 C10511   C    0.24738    -0.09922   0.41637   
 C10512   C    0.24733    -0.05186   0.43490   
 C10513   C    0.24458    -0.08306   0.48593   
 C10514   C    0.24608    -0.11586   0.59098   
 C10515   C    0.24524    -0.10017   0.56348   
 C10516   C    0.24733    -0.08413   0.58366   
 C10517   C    0.24731    -0.13150   0.56512   
 C10518   C    0.24457    -0.10029   0.51409   
 C10519   C    0.24611    -0.13263   0.51553   
 C10520   C    0.24527    -0.11633   0.49077   
 C10521   C    0.24737    -0.11543   0.44287   
 C10522   C    0.24611    -0.05072   0.48449   
 C10523   C    0.24526    -0.06701   0.50928   
 C10524   C    0.24733    -0.06792   0.55716   
 H10525   H    0.26880    -0.13529   0.73316   
 H10526   H    0.22111    -0.10010   0.73372   
 H10527   H    0.22207    -0.09859   0.64704   
 H10528   H    0.26995    -0.13409   0.64635   
 H10529   H    0.26864    0.00493    0.50279   
 H10530   H    0.22128    -0.01144   0.58843   
 H10531   H    0.22317    -0.04080   0.55412   
 H10532   H    0.27066    -0.02431   0.46752   
 H10533   H    0.27027    -0.18752   0.49472   
 H10534   H    0.22274    -0.17166   0.40895   
 H10535   H    0.22277    -0.14288   0.44714   
 H10536   H    0.27047    -0.15885   0.53377   
 H10537   H    0.27022    -0.04921   0.26643   
 H10538   H    0.22228    -0.08417   0.26632   
 H10539   H    0.22323    -0.08554   0.35307   
 H10540   H    0.27123    -0.05014   0.35338   
 H10541   H    0.25054    -0.08303   0.61957   
 H10542   H    0.24780    -0.04004   0.41560   
 H10543   H    0.24775    -0.14331   0.58442   
 H10544   H    0.25062    -0.10032   0.38045   
 H10545   H    0.25055    -0.05671   0.57655   
 H10546   H    0.25061    -0.12664   0.42347   
 O10547   O    0.25784    0.02640    0.55843   
 O10548   O    0.23187    -0.11020   0.81288   
 O10549   O    0.25898    -0.12639   0.81018   
 O10550   O    0.23140    0.01900    0.60023   
 O10551   O    0.23491    -0.20064   0.39169   
 O10552   O    0.25957    -0.20908   0.43823   
 O10553   O    0.25843    -0.05621   0.18958   
 O10554   O    0.23439    -0.07594   0.18735   
 C10555   C    0.73996    -0.17751   0.48268   
 C10556   C    0.75361    -0.18115   0.44779   
 C10557   C    0.76696    -0.16835   0.43518   
 C10558   C    0.76639    -0.15214   0.45622   
 C10559   C    0.75251    -0.14826   0.49073   
 C10560   C    0.73948    -0.16135   0.50395   
 C10561   C    0.74015    -0.05642   0.28673   
 C10562   C    0.75339    -0.06641   0.26127   
 C10563   C    0.76689    -0.07649   0.28558   
 C10564   C    0.76684    -0.07690   0.33428   
 C10565   C    0.75328    -0.06728   0.36016   
 C10566   C    0.74014    -0.05685   0.33543   
 C10567   C    0.75299    -0.06656   0.20916   
 C10568   C    0.75366    -0.19843   0.42473   
 C10569   C    0.74099    -0.12752   0.71400   
 C10570   C    0.75488    -0.11819   0.73915   
 C10571   C    0.76772    -0.10748   0.71472   
 C10572   C    0.76653    -0.10598   0.66618   
 C10573   C    0.75259    -0.11526   0.64057   
 C10574   C    0.73992    -0.12613   0.66548   
 C10575   C    0.74127    -0.00529   0.51386   
 C10576   C    0.75492    -0.00164   0.54878   
 C10577   C    0.76822    -0.01449   0.56138   
 C10578   C    0.76752    -0.03072   0.54052   
 C10579   C    0.75360    -0.03464   0.50615   
 C10580   C    0.74067    -0.02149   0.49279   
 C10581   C    0.75520    -0.11903   0.79125   
 C10582   C    0.75469    0.01556    0.57235   
 C10583   C    0.75380    -0.05072   0.48449   
 C10584   C    0.75464    -0.06702   0.50926   
 C10585   C    0.75254    -0.06792   0.55715   
 C10586   C    0.75261    -0.05185   0.43492   
 C10587   C    0.75534    -0.08306   0.48593   
 C10588   C    0.75380    -0.13263   0.51553   
 C10589   C    0.75465    -0.11634   0.49074   
 C10590   C    0.75257    -0.11544   0.44286   
 C10591   C    0.75256    -0.13150   0.56510   
 C10592   C    0.75533    -0.10029   0.51410   
 C10593   C    0.75377    -0.11586   0.59097   
 C10594   C    0.75462    -0.10017   0.56346   
 C10595   C    0.75253    -0.08413   0.58366   
 C10596   C    0.75383    -0.06750   0.40905   
 C10597   C    0.75466    -0.08319   0.43654   
 C10598   C    0.75258    -0.09922   0.41636   
 H10599   H    0.72977    -0.18754   0.49252   
 H10600   H    0.77773    -0.17130   0.40870   
 H10601   H    0.77679    -0.14235   0.44584   
 H10602   H    0.72876    -0.15876   0.53082   
 H10603   H    0.72985    -0.04855   0.26761   
 H10604   H    0.77729    -0.08399   0.26571   
 H10605   H    0.77734    -0.08485   0.35256   
 H10606   H    0.72969    -0.04912   0.35458   
 H10607   H    0.73103    -0.13573   0.73312   
 H10608   H    0.77836    -0.10013   0.73437   
 H10609   H    0.77651    -0.09749   0.64789   
 H10610   H    0.72904    -0.13346   0.64660   
 H10611   H    0.73110    0.00473    0.50399   
 H10612   H    0.77880    -0.01167   0.58846   
 H10613   H    0.77780    -0.04057   0.55129   
 H10614   H    0.72991    -0.02408   0.46597   
 H10615   H    0.75215    -0.04004   0.41561   
 H10616   H    0.74935    -0.12664   0.42348   
 H10617   H    0.74930    -0.05671   0.57655   
 H10618   H    0.75210    -0.14331   0.58442   
 H10619   H    0.74937    -0.10032   0.38045   
 H10620   H    0.74929    -0.08303   0.61958   
 O10621   O    0.76568    -0.20097   0.39182   
 O10622   O    0.74160    -0.20943   0.44009   
 O10623   O    0.74048    -0.05702   0.18961   
 O10624   O    0.76511    -0.07615   0.18820   
 O10625   O    0.74081    0.02555    0.56169   
 O10626   O    0.74193    -0.12781   0.81063   
 O10627   O    0.76837    -0.11070   0.81251   
 O10628   O    0.76790    0.01889    0.60178   
 H10629   H    0.70015    -0.24770   0.35749   
 O10630   O    0.71396    -0.24830   0.35391   
 H10631   H    0.22848    -0.22867   0.44307   
 O10632   O    0.23400    -0.23443   0.41632   
 H10633   H    0.79613    0.02902    0.59131   
 H10634   H    0.80049    0.04906    0.59497   
 H10635   H    0.79964    0.06594    0.53500   
 O10636   O    0.79935    0.06758    0.56843   
 O10637   O    0.79909    0.03799    0.61371   
 H10638   H    0.47166    0.01854    0.43649   
 O10639   O    0.47996    0.01324    0.41354   
 H10640   H    0.52820    -0.03199   0.40049   
 O10641   O    0.52014    -0.02339   0.38587   
 H10642   H    0.51355    -0.19358   0.49320   
 H10643   H    0.50024    -0.20646   0.52176   
 H10644   H    0.51056    -0.23092   0.54766   
 O10645   O    0.49966    -0.22361   0.55448   
 O10646   O    0.50074    -0.19467   0.50627   
 H10647   H    0.51072    0.04759    0.45223   
 H10648   H    0.50034    0.02317    0.47822   
 H10649   H    0.51362    0.01031    0.50677   
 O10650   O    0.50080    0.01139    0.49372   
 O10651   O    0.49980    0.04032    0.44542   
 H10652   H    0.49968    -0.13607   0.58692   
 H10653   H    0.48918    -0.14569   0.52100   
 H10654   H    0.48651    -0.12546   0.62188   
 O10655   O    0.50017    -0.14819   0.54051   
 O10656   O    0.49929    -0.13033   0.61884   
 H10657   H    0.47154    -0.20189   0.56352   
 O10658   O    0.47984    -0.19658   0.58640   
 H10659   H    0.52814    -0.15128   0.59942   
 O10660   O    0.52007    -0.15988   0.61404   
 H10661   H    0.48658    -0.05785   0.37809   
 H10662   H    0.48926    -0.03760   0.47895   
 H10663   H    0.49976    -0.04723   0.41305   
 O10664   O    0.49937    -0.05298   0.38116   
 O10665   O    0.50026    -0.03510   0.45946   
 Zr10666  Zr   0.26807    0.05207    0.58473   
 Zr10667  Zr   0.73176    0.05206    0.58469   
 Zr10668  Zr   0.46384    -0.00000   0.35013   
 Zr10669  Zr   0.49954    -0.17392   0.56467   
 Zr10670  Zr   0.49961    -0.00939   0.43528   
 O10671   O    0.27600    0.06484    0.64542   
 O10672   O    0.74296    -0.22729   0.35172   
 O10673   O    0.76069    0.05501    0.60121   
 O10674   O    0.25833    -0.22763   0.35019   
 O10675   O    0.51523    -0.19258   0.60470   
 O10676   O    0.48456    -0.16661   0.62456   
 O10677   O    0.48463    -0.01674   0.37541   
 O10678   O    0.51534    0.00931    0.39520   
 C10679   C    0.67754    -0.37761   0.70953   
 C10680   C    0.68368    -0.38322   0.66524   
 C10681   C    0.67455    -0.37661   0.62522   
 C10682   C    0.65992    -0.36439   0.62943   
 C10683   C    0.65401    -0.35835   0.67368   
 C10684   C    0.66291    -0.36542   0.71363   
 C10685   C    0.67816    -0.25695   0.51140   
 C10686   C    0.68383    -0.26880   0.47691   
 C10687   C    0.67461    -0.28491   0.47468   
 C10688   C    0.66035    -0.28922   0.50699   
 C10689   C    0.65482    -0.27754   0.54230   
 C10690   C    0.66380    -0.26124   0.54345   
 C10691   C    0.69953    -0.26412   0.44354   
 C10692   C    0.69984    -0.39575   0.66056   
 C10693   C    0.58181    -0.23094   0.62282   
 C10694   C    0.56249    -0.23595   0.61713   
 C10695   C    0.55819    -0.25349   0.61084   
 C10696   C    0.57288    -0.26578   0.61087   
 C10697   C    0.59232    -0.26089   0.61672   
 C10698   C    0.59648    -0.24321   0.62242   
 C10699   C    0.58173    -0.35334   0.82223   
 C10700   C    0.56240    -0.35245   0.80772   
 C10701   C    0.55834    -0.34698   0.76191   
 C10702   C    0.57318    -0.34206   0.73191   
 C10703   C    0.59260    -0.34253   0.74651   
 C10704   C    0.59658    -0.34853   0.79205   
 C10705   C    0.54682    -0.22283   0.62023   
 C10706   C    0.54669    -0.35691   0.84141   
 C10707   C    0.63874    -0.28152   0.57086   
 C10708   C    0.63774    -0.29770   0.59615   
 C10709   C    0.65299    -0.30911   0.59676   
 C10710   C    0.62361    -0.26958   0.58004   
 C10711   C    0.62223    -0.30189   0.62613   
 C10712   C    0.60723    -0.33826   0.71506   
 C10713   C    0.60739    -0.32276   0.68671   
 C10714   C    0.59424    -0.30967   0.69365   
 C10715   C    0.62357    -0.34923   0.71024   
 C10716   C    0.62222    -0.31912   0.65430   
 C10717   C    0.63871    -0.34665   0.67734   
 C10718   C    0.63772    -0.33085   0.65035   
 C10719   C    0.65298    -0.32532   0.62326   
 C10720   C    0.60726    -0.27313   0.60858   
 C10721   C    0.60740    -0.28961   0.63251   
 C10722   C    0.59425    -0.29346   0.66715   
 H10723   H    0.68458    -0.38290   0.74036   
 H10724   H    0.67913    -0.38117   0.59107   
 H10725   H    0.65306    -0.35933   0.59803   
 H10726   H    0.65842    -0.36117   0.74823   
 H10727   H    0.68527    -0.24446   0.51265   
 H10728   H    0.67880    -0.29391   0.44739   
 H10729   H    0.65343    -0.30179   0.50485   
 H10730   H    0.65964    -0.25195   0.57009   
 H10731   H    0.58502    -0.21735   0.62791   
 H10732   H    0.54320    -0.25734   0.60691   
 H10733   H    0.56925    -0.27934   0.60637   
 H10734   H    0.61135    -0.23907   0.62694   
 H10735   H    0.58481    -0.35769   0.85758   
 H10736   H    0.54336    -0.34628   0.75067   
 H10737   H    0.56970    -0.33763   0.69678   
 H10738   H    0.61144    -0.34923   0.80410   
 H10739   H    0.62385    -0.25759   0.56157   
 H10740   H    0.58431    -0.31036   0.72155   
 H10741   H    0.66613    -0.30584   0.58047   
 H10742   H    0.62380    -0.36085   0.73038   
 H10743   H    0.58432    -0.28404   0.67852   
 H10744   H    0.66612    -0.33216   0.62349   
 O10745   O    0.70498    -0.40000   0.61941   
 O10746   O    0.70729    -0.40125   0.69831   
 O10747   O    0.70639    -0.24897   0.44700   
 O10748   O    0.70490    -0.27550   0.41422   
 O10749   O    0.55189    -0.35997   0.88328   
 O10750   O    0.55191    -0.20752   0.63024   
 O10751   O    0.52957    -0.22789   0.61366   
 O10752   O    0.52943    -0.35701   0.82655   
 C10753   C    0.32168    -0.37730   0.70848   
 C10754   C    0.31601    -0.38308   0.66399   
 C10755   C    0.32522    -0.37628   0.62436   
 C10756   C    0.33949    -0.36372   0.62899   
 C10757   C    0.34505    -0.35762   0.67349   
 C10758   C    0.33603    -0.36484   0.71313   
 C10759   C    0.32241    -0.25643   0.51156   
 C10760   C    0.31625    -0.26831   0.47761   
 C10761   C    0.32539    -0.28443   0.47474   
 C10762   C    0.34006    -0.28874   0.50591   
 C10763   C    0.34600    -0.27708   0.54096   
 C10764   C    0.33709    -0.26077   0.54266   
 C10765   C    0.30006    -0.26403   0.44540   
 C10766   C    0.30034    -0.39619   0.65967   
 C10767   C    0.41809    -0.23138   0.62736   
 C10768   C    0.43741    -0.23651   0.62278   
 C10769   C    0.44154    -0.25397   0.61446   
 C10770   C    0.42671    -0.26608   0.61186   
 C10771   C    0.40727    -0.26108   0.61726   
 C10772   C    0.40327    -0.24346   0.62443   
 C10773   C    0.41749    -0.35234   0.82385   
 C10774   C    0.43689    -0.35106   0.81018   
 C10775   C    0.44128    -0.34574   0.76446   
 C10776   C    0.42657    -0.34140   0.73345   
 C10777   C    0.40705    -0.34221   0.74717   
 C10778   C    0.40281    -0.34802   0.79271   
 C10779   C    0.45270    -0.35502   0.84384   
 C10780   C    0.45314    -0.22344   0.62693   
 C10781   C    0.39257    -0.27313   0.60858   
 C10782   C    0.39242    -0.28960   0.63254   
 C10783   C    0.40555    -0.29346   0.66716   
 C10784   C    0.37625    -0.26958   0.58005   
 C10785   C    0.37760    -0.30189   0.62612   
 C10786   C    0.36109    -0.34665   0.67734   
 C10787   C    0.36208    -0.33085   0.65037   
 C10788   C    0.34686    -0.32532   0.62328   
 C10789   C    0.37620    -0.34923   0.71023   
 C10790   C    0.37760    -0.31912   0.65430   
 C10791   C    0.39254    -0.33826   0.71506   
 C10792   C    0.39241    -0.32276   0.68674   
 C10793   C    0.40554    -0.30967   0.69366   
 C10794   C    0.36112    -0.28152   0.57086   
 C10795   C    0.36210    -0.29769   0.59617   
 C10796   C    0.34687    -0.30911   0.59678   
 H10797   H    0.31458    -0.38272   0.73902   
 H10798   H    0.32103    -0.38099   0.58998   
 H10799   H    0.34640    -0.35855   0.59785   
 H10800   H    0.34019    -0.36049   0.74789   
 H10801   H    0.31536    -0.24394   0.51325   
 H10802   H    0.32076    -0.29347   0.44795   
 H10803   H    0.34691    -0.30131   0.50340   
 H10804   H    0.34159    -0.25145   0.56897   
 H10805   H    0.41500    -0.21781   0.63345   
 H10806   H    0.45650    -0.25788   0.61010   
 H10807   H    0.43019    -0.27956   0.60561   
 H10808   H    0.38839    -0.23923   0.62826   
 H10809   H    0.41424    -0.35661   0.85917   
 H10810   H    0.45631    -0.34502   0.75386   
 H10811   H    0.43021    -0.33721   0.69823   
 H10812   H    0.38785    -0.34898   0.80400   
 H10813   H    0.37603    -0.25759   0.56157   
 H10814   H    0.33372    -0.33216   0.62350   
 H10815   H    0.41547    -0.28404   0.67852   
 H10816   H    0.37598    -0.36085   0.73039   
 H10817   H    0.33373    -0.30584   0.58048   
 H10818   H    0.41546    -0.31036   0.72154   
 O10819   O    0.29502    -0.40051   0.61874   
 O10820   O    0.29351    -0.40216   0.69764   
 O10821   O    0.29258    -0.24916   0.44983   
 O10822   O    0.29489    -0.27548   0.41607   
 O10823   O    0.47048    -0.22871   0.62469   
 O10824   O    0.44790    -0.20783   0.63227   
 O10825   O    0.44762    -0.35987   0.88445   
 O10826   O    0.46997    -0.35326   0.82958   
 H10827   H    0.74548    -0.29601   0.41881   
 H10828   H    0.76518    -0.28885   0.47368   
 H10829   H    0.72289    -0.29709   0.42669   
 O10830   O    0.76597    -0.28949   0.44005   
 O10831   O    0.73265    -0.29824   0.40269   
 H10832   H    0.77148    -0.22963   0.44473   
 O10833   O    0.76597    -0.23569   0.41850   
 H10834   H    0.76360    -0.37557   0.62159   
 H10835   H    0.72398    -0.38598   0.56503   
 H10836   H    0.75420    -0.38720   0.58212   
 O10837   O    0.76663    -0.38466   0.59958   
 O10838   O    0.73419    -0.39413   0.55908   
 H10839   H    0.24572    -0.29367   0.42933   
 H10840   H    0.27594    -0.29982   0.42432   
 H10841   H    0.23629    -0.28622   0.47557   
 O10842   O    0.26573    -0.29795   0.40201   
 O10843   O    0.23327    -0.28916   0.44351   
 H10844   H    0.29985    -0.24864   0.35923   
 O10845   O    0.28605    -0.24956   0.35614   
 H10846   H    0.27700    -0.38644   0.57273   
 H10847   H    0.23469    -0.37500   0.61442   
 H10848   H    0.25442    -0.38953   0.57163   
 O10849   O    0.26723    -0.39373   0.55880   
 O10850   O    0.23390    -0.38566   0.59719   
 Zr10851  Zr   0.73191    -0.23555   0.41514   
 Zr10852  Zr   0.77114    -0.26496   0.41047   
 Zr10853  Zr   0.72839    -0.41813   0.59098   
 Zr10854  Zr   0.26807    -0.23554   0.41518   
 Zr10855  Zr   0.27153    -0.27634   0.35929   
 Zr10856  Zr   0.22875    -0.40675   0.64218   
 Zr10857  Zr   0.50032    -0.21477   0.62426   
 O10858   O    0.74168    -0.26044   0.40381   
 O10859   O    0.25704    -0.26010   0.40535   
 H10860   H    0.18962    0.74211    0.42663   
 H10861   H    0.19907    0.76727    0.40396   
 H10862   H    0.19013    0.77666    0.35978   
 O10863   O    0.19999    0.77795    0.38348   
 O10864   O    0.20078    0.74918    0.43253   
 C10865   C    -0.17702   0.57295    0.49128   
 C10866   C    -0.18243   0.58455    0.52662   
 C10867   C    -0.17389   0.60096    0.52778   
 C10868   C    -0.16039   0.60574    0.49402   
 C10869   C    -0.15489   0.59421    0.45830   
 C10870   C    -0.16341   0.57769    0.45781   
 C10871   C    -0.17676   0.69530    0.29164   
 C10872   C    -0.18243   0.70108    0.33614   
 C10873   C    -0.17320   0.69423    0.37574   
 C10874   C    -0.15907   0.68159    0.37105   
 C10875   C    -0.15357   0.67543    0.32656   
 C10876   C    -0.16251   0.68275    0.28699   
 C10877   C    -0.19780   0.57970    0.56066   
 C10878   C    -0.19836   0.71397    0.34032   
 C10879   C    -0.08226   0.66882    0.17610   
 C10880   C    -0.06284   0.66763    0.18978   
 C10881   C    -0.05849   0.66229    0.23553   
 C10882   C    -0.07321   0.65789    0.26648   
 C10883   C    -0.09272   0.65862    0.25268   
 C10884   C    -0.09694   0.66444    0.20713   
 C10885   C    -0.08177   0.54787    0.37293   
 C10886   C    -0.06246   0.55306    0.37747   
 C10887   C    -0.05834   0.57053    0.38580   
 C10888   C    -0.07318   0.58260    0.38840   
 C10889   C    -0.09260   0.57756    0.38295   
 C10890   C    -0.09660   0.55993    0.37583   
 C10891   C    -0.04673   0.54002    0.37321   
 C10892   C    -0.04704   0.67165    0.15618   
 C10893   C    -0.13880   0.66330    0.32268   
 C10894   C    -0.13781   0.64750    0.34967   
 C10895   C    -0.15307   0.64197    0.37676   
 C10896   C    -0.12366   0.66588    0.28978   
 C10897   C    -0.12231   0.63576    0.34573   
 C10898   C    -0.10736   0.58978    0.39144   
 C10899   C    -0.10750   0.60626    0.36751   
 C10900   C    -0.09434   0.61011    0.33287   
 C10901   C    -0.12370   0.58623    0.41998   
 C10902   C    -0.12232   0.61853    0.37389   
 C10903   C    -0.13884   0.59816    0.42916   
 C10904   C    -0.13783   0.61434    0.40387   
 C10905   C    -0.15308   0.62576    0.40327   
 C10906   C    -0.10732   0.65491    0.28496   
 C10907   C    -0.10748   0.63941    0.31331   
 C10908   C    -0.09433   0.62632    0.30637   
 H10909   H    -0.18375   0.56031    0.49042   
 H10910   H    -0.17827   0.60997    0.55495   
 H10911   H    -0.15406   0.61858    0.49528   
 H10912   H    -0.15941   0.56853    0.43068   
 H10913   H    -0.18383   0.70072    0.26111   
 H10914   H    -0.17762   0.69870    0.41022   
 H10915   H    -0.15229   0.67629    0.40224   
 H10916   H    -0.15839   0.67838    0.25218   
 H10917   H    -0.08551   0.67310    0.14074   
 H10918   H    -0.04347   0.66163    0.24620   
 H10919   H    -0.06958   0.65368    0.30173   
 H10920   H    -0.11190   0.66537    0.19583   
 H10921   H    -0.08484   0.53430    0.36682   
 H10922   H    -0.04338   0.57443    0.39015   
 H10923   H    -0.06970   0.59608    0.39464   
 H10924   H    -0.11149   0.55572    0.37198   
 H10925   H    -0.12389   0.67750    0.26964   
 H10926   H    -0.08441   0.60069    0.32150   
 H10927   H    -0.16621   0.64881    0.37653   
 H10928   H    -0.12394   0.57424    0.43845   
 H10929   H    -0.08440   0.62701    0.27847   
 H10930   H    -0.16622   0.62249    0.41956   
 O10931   O    -0.20703   0.71794    0.30260   
 O10932   O    -0.20596   0.56521    0.55435   
 O10933   O    -0.20189   0.59045    0.59282   
 O10934   O    -0.20241   0.71974    0.38073   
 O10935   O    -0.02977   0.66993    0.17048   
 O10936   O    -0.05210   0.67650    0.11555   
 O10937   O    -0.05195   0.52443    0.36778   
 O10938   O    -0.02939   0.54534    0.37535   
 C10939   C    0.17685    0.57311    0.49115   
 C10940   C    0.18254    0.58488    0.52586   
 C10941   C    0.17339    0.60102    0.52793   
 C10942   C    0.15928    0.60546    0.49541   
 C10943   C    0.15376    0.59385    0.45981   
 C10944   C    0.16267    0.57753    0.45882   
 C10945   C    0.17672    0.69537    0.29092   
 C10946   C    0.18216    0.70142    0.33532   
 C10947   C    0.17349    0.69415    0.37511   
 C10948   C    0.15997    0.68094    0.37060   
 C10949   C    0.15453    0.67468    0.32624   
 C10950   C    0.16310    0.68226    0.28649   
 C10951   C    0.19838    0.58015    0.55889   
 C10952   C    0.19761    0.71472    0.33971   
 C10953   C    0.08190    0.66989    0.17764   
 C10954   C    0.06255    0.66904    0.19205   
 C10955   C    0.05841    0.66352    0.23774   
 C10956   C    0.07319    0.65855    0.26788   
 C10957   C    0.09264    0.65902    0.25340   
 C10958   C    0.09667    0.66502    0.20793   
 C10959   C    0.08205    0.54762    0.37782   
 C10960   C    0.06273    0.55267    0.38337   
 C10961   C    0.05851    0.57023    0.38984   
 C10962   C    0.07325    0.58247    0.38996   
 C10963   C    0.09269    0.57755    0.38405   
 C10964   C    0.09676    0.55986    0.37833   
 C10965   C    0.04692    0.67362    0.15833   
 C10966   C    0.04700    0.53957    0.37988   
 C10967   C    0.10737    0.65491    0.28496   
 C10968   C    0.10750    0.63941    0.31328   
 C10969   C    0.09437    0.62632    0.30636   
 C10970   C    0.12370    0.66587    0.28977   
 C10971   C    0.12232    0.63577    0.34574   
 C10972   C    0.13878    0.59816    0.42916   
 C10973   C    0.13781    0.61434    0.40385   
 C10974   C    0.15304    0.62576    0.40325   
 C10975   C    0.12367    0.58623    0.41999   
 C10976   C    0.12230    0.61853    0.37389   
 C10977   C    0.10733    0.58978    0.39144   
 C10978   C    0.10749    0.60625    0.36748   
 C10979   C    0.09436    0.61010    0.33286   
 C10980   C    0.13882    0.66330    0.32268   
 C10981   C    0.13783    0.64749    0.34965   
 C10982   C    0.15305    0.64197    0.37675   
 H10983   H    0.18390    0.56059    0.48980   
 H10984   H    0.17785    0.61013    0.55484   
 H10985   H    0.15255    0.61812    0.49733   
 H10986   H    0.15853    0.56826    0.43204   
 H10987   H    0.18350    0.70100    0.26026   
 H10988   H    0.17784    0.69876    0.40947   
 H10989   H    0.15360    0.67536    0.40193   
 H10990   H    0.15912    0.67772    0.25179   
 H10991   H    0.08505    0.67425    0.14233   
 H10992   H    0.04342    0.66285    0.24879   
 H10993   H    0.06963    0.65411    0.30293   
 H10994   H    0.11158    0.66568    0.19600   
 H10995   H    0.08522    0.53403    0.37270   
 H10996   H    0.04355    0.57412    0.39374   
 H10997   H    0.06966    0.59602    0.39450   
 H10998   H    0.11165    0.55569    0.37389   
 H10999   H    0.16618    0.62249    0.41955   
 H11000   H    0.12393    0.67750    0.26964   
 H11001   H    0.12388    0.57423    0.43845   
 H11002   H    0.08445    0.62701    0.27848   
 H11003   H    0.16619    0.64881    0.37652   
 H11004   H    0.08444    0.60069    0.32151   
 O11005   O    0.20587    0.71939    0.30205   
 O11006   O    0.20239    0.59062    0.59167   
 O11007   O    0.20700    0.56596    0.55091   
 O11008   O    0.20172    0.72014    0.38052   
 O11009   O    0.05206    0.52427    0.36970   
 O11010   O    0.02965    0.67375    0.17321   
 O11011   O    0.05214    0.67673    0.11651   
 O11012   O    0.02976    0.54466    0.38633   
 H11013   H    -0.23536   0.58720    0.54810   
 O11014   O    -0.23923   0.58178    0.57700   
 H11015   H    -0.19016   0.74065    0.41878   
 H11016   H    -0.19911   0.75946    0.41691   
 H11017   H    -0.18963   0.77864    0.36728   
 O11018   O    -0.20082   0.77722    0.38692   
 O11019   O    -0.20001   0.74779    0.43288   
 H11020   H    -0.29975   0.52943    0.59446   
 H11021   H    -0.30067   0.55686    0.58199   
 H11022   H    -0.29632   0.56502    0.53231   
 O11023   O    -0.29927   0.56815    0.56425   
 O11024   O    -0.29950   0.53954    0.61402   
 H11025   H    -0.23650   0.70681    0.35061   
 O11026   O    -0.24070   0.71868    0.35067   
 H11027   H    0.23643    0.58687    0.54662   
 O11028   O    0.24061    0.58136    0.57513   
 H11029   H    0.23529    0.70712    0.35199   
 O11030   O    0.23916    0.71908    0.35249   
 Zr11031  Zr   -0.22633   0.59163    0.64655   
 Zr11032  Zr   -0.27333   0.72462    0.35203   
 Zr11033  Zr   0.27326    0.57908    0.59009   
 Zr11034  Zr   0.22623    0.73717    0.40848   
 Zr11035  Zr   0.00045    0.53148    0.37567   
 Zr11036  Zr   0.03629    0.50007    0.35006   
 O11037   O    -0.26084   0.55612    0.59934   
 O11038   O    0.22381    0.56594    0.64351   
 C11039   C    -0.24139   0.37262    0.71385   
 C11040   C    -0.25506   0.38227    0.73898   
 C11041   C    -0.26834   0.39243    0.71415   
 C11042   C    -0.26767   0.39328    0.66550   
 C11043   C    -0.25373   0.38392    0.64001   
 C11044   C    -0.24081   0.37342    0.66519   
 C11045   C    -0.24132   0.49483    0.51337   
 C11046   C    -0.25521   0.49864    0.54765   
 C11047   C    -0.26807   0.48563    0.56163   
 C11048   C    -0.26687   0.46914    0.54241   
 C11049   C    -0.25287   0.46515    0.50827   
 C11050   C    -0.24024   0.47839    0.49396   
 C11051   C    -0.25487   0.38181    0.79122   
 C11052   C    -0.25546   0.51598    0.57024   
 C11053   C    -0.24004   0.32239    0.48469   
 C11054   C    -0.25333   0.31869    0.44899   
 C11055   C    -0.26682   0.33134    0.43608   
 C11056   C    -0.26673   0.34743    0.45774   
 C11057   C    -0.25314   0.35142    0.49279   
 C11058   C    -0.24002   0.33848    0.50630   
 C11059   C    -0.23997   0.44291    0.28590   
 C11060   C    -0.25361   0.43318    0.26094   
 C11061   C    -0.26696   0.42309    0.28579   
 C11062   C    -0.26638   0.42241    0.33445   
 C11063   C    -0.25248   0.43188    0.35978   
 C11064   C    -0.23950   0.44232    0.33458   
 C11065   C    -0.25363   0.43367    0.20874   
 C11066   C    -0.25296   0.30174    0.42444   
 C11067   C    -0.25386   0.43251    0.40905   
 C11068   C    -0.25471   0.41682    0.43657   
 C11069   C    -0.25262   0.40078    0.41637   
 C11070   C    -0.25267   0.44814    0.43490   
 C11071   C    -0.25542   0.41694    0.48593   
 C11072   C    -0.25392   0.38414    0.59098   
 C11073   C    -0.25476   0.39983    0.56348   
 C11074   C    -0.25267   0.41587    0.58366   
 C11075   C    -0.25269   0.36850    0.56512   
 C11076   C    -0.25543   0.39971    0.51409   
 C11077   C    -0.25389   0.36737    0.51553   
 C11078   C    -0.25473   0.38367    0.49077   
 C11079   C    -0.25263   0.38457    0.44287   
 C11080   C    -0.25389   0.44928    0.48449   
 C11081   C    -0.25474   0.43299    0.50928   
 C11082   C    -0.25267   0.43208    0.55716   
 H11083   H    -0.23120   0.36471    0.73316   
 H11084   H    -0.27889   0.39990    0.73372   
 H11085   H    -0.27793   0.40141    0.64704   
 H11086   H    -0.23005   0.36591    0.64635   
 H11087   H    -0.23136   0.50493    0.50279   
 H11088   H    -0.27872   0.48856    0.58843   
 H11089   H    -0.27683   0.45920    0.55412   
 H11090   H    -0.22934   0.47569    0.46752   
 H11091   H    -0.22973   0.31248    0.49472   
 H11092   H    -0.27726   0.32834    0.40895   
 H11093   H    -0.27723   0.35712    0.44714   
 H11094   H    -0.22953   0.34115    0.53377   
 H11095   H    -0.22978   0.45079    0.26643   
 H11096   H    -0.27772   0.41583    0.26632   
 H11097   H    -0.27677   0.41446    0.35307   
 H11098   H    -0.22877   0.44986    0.35338   
 H11099   H    -0.24946   0.41697    0.61957   
 H11100   H    -0.25220   0.45996    0.41560   
 H11101   H    -0.25225   0.35669    0.58442   
 H11102   H    -0.24938   0.39968    0.38045   
 H11103   H    -0.24945   0.44329    0.57655   
 H11104   H    -0.24939   0.37336    0.42347   
 O11105   O    -0.24216   0.52640    0.55843   
 O11106   O    -0.26813   0.38980    0.81288   
 O11107   O    -0.24102   0.37361    0.81018   
 O11108   O    -0.26860   0.51900    0.60023   
 O11109   O    -0.26509   0.29936    0.39169   
 O11110   O    -0.24043   0.29092    0.43823   
 O11111   O    -0.24157   0.44379    0.18958   
 O11112   O    -0.26561   0.42406    0.18735   
 C11113   C    0.23996    0.32249    0.48268   
 C11114   C    0.25361    0.31885    0.44779   
 C11115   C    0.26696    0.33165    0.43518   
 C11116   C    0.26639    0.34786    0.45622   
 C11117   C    0.25251    0.35174    0.49073   
 C11118   C    0.23948    0.33865    0.50395   
 C11119   C    0.24015    0.44358    0.28673   
 C11120   C    0.25339    0.43359    0.26127   
 C11121   C    0.26689    0.42351    0.28558   
 C11122   C    0.26684    0.42310    0.33428   
 C11123   C    0.25328    0.43272    0.36016   
 C11124   C    0.24014    0.44315    0.33543   
 C11125   C    0.25299    0.43344    0.20916   
 C11126   C    0.25366    0.30157    0.42473   
 C11127   C    0.24099    0.37248    0.71400   
 C11128   C    0.25488    0.38181    0.73915   
 C11129   C    0.26772    0.39252    0.71472   
 C11130   C    0.26653    0.39402    0.66618   
 C11131   C    0.25259    0.38474    0.64057   
 C11132   C    0.23992    0.37387    0.66548   
 C11133   C    0.24127    0.49471    0.51386   
 C11134   C    0.25492    0.49836    0.54878   
 C11135   C    0.26822    0.48551    0.56138   
 C11136   C    0.26752    0.46928    0.54052   
 C11137   C    0.25360    0.46536    0.50615   
 C11138   C    0.24067    0.47851    0.49279   
 C11139   C    0.25520    0.38097    0.79125   
 C11140   C    0.25469    0.51556    0.57235   
 C11141   C    0.25380    0.44928    0.48449   
 C11142   C    0.25464    0.43298    0.50926   
 C11143   C    0.25254    0.43208    0.55715   
 C11144   C    0.25261    0.44815    0.43492   
 C11145   C    0.25534    0.41694    0.48593   
 C11146   C    0.25380    0.36737    0.51553   
 C11147   C    0.25465    0.38366    0.49074   
 C11148   C    0.25257    0.38456    0.44286   
 C11149   C    0.25256    0.36850    0.56510   
 C11150   C    0.25533    0.39971    0.51410   
 C11151   C    0.25377    0.38414    0.59097   
 C11152   C    0.25462    0.39983    0.56346   
 C11153   C    0.25253    0.41587    0.58366   
 C11154   C    0.25383    0.43250    0.40905   
 C11155   C    0.25466    0.41681    0.43654   
 C11156   C    0.25258    0.40078    0.41636   
 H11157   H    0.22977    0.31246    0.49252   
 H11158   H    0.27773    0.32870    0.40870   
 H11159   H    0.27679    0.35765    0.44584   
 H11160   H    0.22876    0.34124    0.53082   
 H11161   H    0.22985    0.45145    0.26761   
 H11162   H    0.27729    0.41601    0.26571   
 H11163   H    0.27734    0.41515    0.35256   
 H11164   H    0.22969    0.45088    0.35458   
 H11165   H    0.23103    0.36427    0.73312   
 H11166   H    0.27836    0.39987    0.73437   
 H11167   H    0.27651    0.40251    0.64789   
 H11168   H    0.22904    0.36654    0.64660   
 H11169   H    0.23110    0.50473    0.50399   
 H11170   H    0.27880    0.48833    0.58846   
 H11171   H    0.27780    0.45943    0.55129   
 H11172   H    0.22991    0.47592    0.46597   
 H11173   H    0.25215    0.45996    0.41561   
 H11174   H    0.24935    0.37336    0.42348   
 H11175   H    0.24930    0.44329    0.57655   
 H11176   H    0.25210    0.35669    0.58442   
 H11177   H    0.24937    0.39968    0.38045   
 H11178   H    0.24929    0.41697    0.61958   
 O11179   O    0.26568    0.29903    0.39182   
 O11180   O    0.24160    0.29057    0.44009   
 O11181   O    0.24048    0.44298    0.18961   
 O11182   O    0.26511    0.42385    0.18820   
 O11183   O    0.24081    0.52555    0.56169   
 O11184   O    0.24193    0.37219    0.81063   
 O11185   O    0.26837    0.38930    0.81251   
 O11186   O    0.26790    0.51889    0.60178   
 H11187   H    0.20015    0.25230    0.35749   
 O11188   O    0.21396    0.25170    0.35391   
 H11189   H    -0.27152   0.27133    0.44307   
 O11190   O    -0.26600   0.26557    0.41632   
 H11191   H    0.29613    0.52902    0.59131   
 H11192   H    0.30049    0.54906    0.59497   
 H11193   H    0.29964    0.56594    0.53500   
 O11194   O    0.29935    0.56758    0.56843   
 O11195   O    0.29909    0.53799    0.61371   
 H11196   H    -0.02834   0.51854    0.43649   
 O11197   O    -0.02004   0.51324    0.41354   
 H11198   H    0.02820    0.46801    0.40049   
 O11199   O    0.02014    0.47661    0.38587   
 H11200   H    0.01355    0.30642    0.49320   
 H11201   H    0.00024    0.29354    0.52176   
 H11202   H    0.01056    0.26908    0.54766   
 O11203   O    -0.00034   0.27639    0.55448   
 O11204   O    0.00074    0.30533    0.50627   
 H11205   H    0.01072    0.54759    0.45223   
 H11206   H    0.00034    0.52317    0.47822   
 H11207   H    0.01362    0.51031    0.50677   
 O11208   O    0.00080    0.51139    0.49372   
 O11209   O    -0.00020   0.54032    0.44542   
 H11210   H    -0.00032   0.36393    0.58692   
 H11211   H    -0.01082   0.35431    0.52100   
 H11212   H    -0.01349   0.37454    0.62188   
 O11213   O    0.00017    0.35181    0.54051   
 O11214   O    -0.00071   0.36967    0.61884   
 H11215   H    -0.02846   0.29811    0.56352   
 O11216   O    -0.02016   0.30342    0.58640   
 H11217   H    0.02814    0.34872    0.59942   
 O11218   O    0.02007    0.34012    0.61404   
 H11219   H    -0.01342   0.44215    0.37809   
 H11220   H    -0.01074   0.46240    0.47895   
 H11221   H    -0.00024   0.45277    0.41305   
 O11222   O    -0.00063   0.44702    0.38116   
 O11223   O    0.00026    0.46490    0.45946   
 Zr11224  Zr   -0.23193   0.55207    0.58473   
 Zr11225  Zr   0.23176    0.55206    0.58469   
 Zr11226  Zr   -0.03616   0.50000    0.35013   
 Zr11227  Zr   -0.00046   0.32608    0.56467   
 Zr11228  Zr   -0.00039   0.49061    0.43528   
 O11229   O    -0.22400   0.56484    0.64542   
 O11230   O    0.24296    0.27271    0.35172   
 O11231   O    0.26069    0.55501    0.60121   
 O11232   O    -0.24167   0.27237    0.35019   
 O11233   O    0.01523    0.30742    0.60470   
 O11234   O    -0.01544   0.33339    0.62456   
 O11235   O    -0.01537   0.48326    0.37541   
 O11236   O    0.01534    0.50931    0.39520   
 C11237   C    0.17754    0.12239    0.70953   
 C11238   C    0.18368    0.11678    0.66524   
 C11239   C    0.17455    0.12339    0.62522   
 C11240   C    0.15992    0.13561    0.62943   
 C11241   C    0.15401    0.14165    0.67368   
 C11242   C    0.16291    0.13458    0.71363   
 C11243   C    0.17816    0.24305    0.51140   
 C11244   C    0.18383    0.23120    0.47691   
 C11245   C    0.17461    0.21509    0.47468   
 C11246   C    0.16035    0.21078    0.50699   
 C11247   C    0.15482    0.22246    0.54230   
 C11248   C    0.16380    0.23876    0.54345   
 C11249   C    0.19953    0.23588    0.44354   
 C11250   C    0.19984    0.10425    0.66056   
 C11251   C    0.08181    0.26906    0.62282   
 C11252   C    0.06249    0.26405    0.61713   
 C11253   C    0.05819    0.24651    0.61084   
 C11254   C    0.07288    0.23422    0.61087   
 C11255   C    0.09232    0.23911    0.61672   
 C11256   C    0.09648    0.25679    0.62242   
 C11257   C    0.08173    0.14666    0.82223   
 C11258   C    0.06240    0.14755    0.80772   
 C11259   C    0.05834    0.15302    0.76191   
 C11260   C    0.07318    0.15794    0.73191   
 C11261   C    0.09260    0.15747    0.74651   
 C11262   C    0.09658    0.15147    0.79205   
 C11263   C    0.04682    0.27717    0.62023   
 C11264   C    0.04669    0.14309    0.84141   
 C11265   C    0.13874    0.21848    0.57086   
 C11266   C    0.13774    0.20230    0.59615   
 C11267   C    0.15299    0.19089    0.59676   
 C11268   C    0.12361    0.23042    0.58004   
 C11269   C    0.12223    0.19811    0.62613   
 C11270   C    0.10723    0.16174    0.71506   
 C11271   C    0.10739    0.17724    0.68671   
 C11272   C    0.09424    0.19033    0.69365   
 C11273   C    0.12357    0.15077    0.71024   
 C11274   C    0.12222    0.18088    0.65430   
 C11275   C    0.13871    0.15335    0.67734   
 C11276   C    0.13772    0.16915    0.65035   
 C11277   C    0.15298    0.17468    0.62326   
 C11278   C    0.10726    0.22687    0.60858   
 C11279   C    0.10740    0.21039    0.63251   
 C11280   C    0.09425    0.20654    0.66715   
 H11281   H    0.18458    0.11710    0.74036   
 H11282   H    0.17913    0.11883    0.59107   
 H11283   H    0.15306    0.14067    0.59803   
 H11284   H    0.15842    0.13883    0.74823   
 H11285   H    0.18527    0.25554    0.51265   
 H11286   H    0.17880    0.20609    0.44739   
 H11287   H    0.15343    0.19821    0.50485   
 H11288   H    0.15964    0.24805    0.57009   
 H11289   H    0.08502    0.28265    0.62791   
 H11290   H    0.04320    0.24266    0.60691   
 H11291   H    0.06925    0.22066    0.60637   
 H11292   H    0.11135    0.26093    0.62694   
 H11293   H    0.08481    0.14231    0.85758   
 H11294   H    0.04336    0.15372    0.75067   
 H11295   H    0.06970    0.16237    0.69678   
 H11296   H    0.11144    0.15077    0.80410   
 H11297   H    0.12385    0.24241    0.56157   
 H11298   H    0.08431    0.18964    0.72155   
 H11299   H    0.16613    0.19416    0.58047   
 H11300   H    0.12380    0.13915    0.73038   
 H11301   H    0.08432    0.21596    0.67852   
 H11302   H    0.16612    0.16784    0.62349   
 O11303   O    0.20498    0.10000    0.61941   
 O11304   O    0.20729    0.09875    0.69831   
 O11305   O    0.20639    0.25103    0.44700   
 O11306   O    0.20490    0.22450    0.41422   
 O11307   O    0.05189    0.14003    0.88328   
 O11308   O    0.05191    0.29248    0.63024   
 O11309   O    0.02957    0.27211    0.61366   
 O11310   O    0.02943    0.14299    0.82655   
 C11311   C    -0.17832   0.12270    0.70848   
 C11312   C    -0.18399   0.11692    0.66399   
 C11313   C    -0.17478   0.12372    0.62436   
 C11314   C    -0.16051   0.13628    0.62899   
 C11315   C    -0.15495   0.14238    0.67349   
 C11316   C    -0.16397   0.13516    0.71313   
 C11317   C    -0.17759   0.24357    0.51156   
 C11318   C    -0.18375   0.23169    0.47761   
 C11319   C    -0.17461   0.21557    0.47474   
 C11320   C    -0.15994   0.21126    0.50591   
 C11321   C    -0.15400   0.22292    0.54096   
 C11322   C    -0.16291   0.23923    0.54266   
 C11323   C    -0.19994   0.23597    0.44540   
 C11324   C    -0.19966   0.10381    0.65967   
 C11325   C    -0.08191   0.26862    0.62736   
 C11326   C    -0.06259   0.26349    0.62278   
 C11327   C    -0.05846   0.24603    0.61446   
 C11328   C    -0.07329   0.23392    0.61186   
 C11329   C    -0.09273   0.23892    0.61726   
 C11330   C    -0.09673   0.25654    0.62443   
 C11331   C    -0.08251   0.14766    0.82385   
 C11332   C    -0.06311   0.14894    0.81018   
 C11333   C    -0.05872   0.15426    0.76446   
 C11334   C    -0.07343   0.15860    0.73345   
 C11335   C    -0.09295   0.15779    0.74717   
 C11336   C    -0.09719   0.15198    0.79271   
 C11337   C    -0.04730   0.14498    0.84384   
 C11338   C    -0.04686   0.27656    0.62693   
 C11339   C    -0.10743   0.22687    0.60858   
 C11340   C    -0.10758   0.21040    0.63254   
 C11341   C    -0.09445   0.20654    0.66716   
 C11342   C    -0.12375   0.23042    0.58005   
 C11343   C    -0.12240   0.19811    0.62612   
 C11344   C    -0.13891   0.15335    0.67734   
 C11345   C    -0.13792   0.16915    0.65037   
 C11346   C    -0.15314   0.17468    0.62328   
 C11347   C    -0.12380   0.15077    0.71023   
 C11348   C    -0.12240   0.18088    0.65430   
 C11349   C    -0.10746   0.16174    0.71506   
 C11350   C    -0.10759   0.17724    0.68674   
 C11351   C    -0.09446   0.19033    0.69366   
 C11352   C    -0.13888   0.21848    0.57086   
 C11353   C    -0.13790   0.20231    0.59617   
 C11354   C    -0.15313   0.19089    0.59678   
 H11355   H    -0.18542   0.11728    0.73902   
 H11356   H    -0.17897   0.11901    0.58998   
 H11357   H    -0.15360   0.14145    0.59785   
 H11358   H    -0.15981   0.13951    0.74789   
 H11359   H    -0.18464   0.25606    0.51325   
 H11360   H    -0.17924   0.20653    0.44795   
 H11361   H    -0.15309   0.19869    0.50340   
 H11362   H    -0.15841   0.24855    0.56897   
 H11363   H    -0.08500   0.28219    0.63345   
 H11364   H    -0.04350   0.24212    0.61010   
 H11365   H    -0.06981   0.22044    0.60561   
 H11366   H    -0.11161   0.26077    0.62826   
 H11367   H    -0.08576   0.14339    0.85917   
 H11368   H    -0.04369   0.15498    0.75386   
 H11369   H    -0.06979   0.16279    0.69823   
 H11370   H    -0.11215   0.15102    0.80400   
 H11371   H    -0.12397   0.24241    0.56157   
 H11372   H    -0.16628   0.16784    0.62350   
 H11373   H    -0.08453   0.21596    0.67852   
 H11374   H    -0.12402   0.13915    0.73039   
 H11375   H    -0.16627   0.19416    0.58048   
 H11376   H    -0.08454   0.18964    0.72154   
 O11377   O    -0.20498   0.09949    0.61874   
 O11378   O    -0.20649   0.09784    0.69764   
 O11379   O    -0.20742   0.25084    0.44983   
 O11380   O    -0.20511   0.22452    0.41607   
 O11381   O    -0.02952   0.27129    0.62469   
 O11382   O    -0.05210   0.29217    0.63227   
 O11383   O    -0.05238   0.14013    0.88445   
 O11384   O    -0.03003   0.14674    0.82958   
 H11385   H    0.24548    0.20399    0.41881   
 H11386   H    0.26518    0.21115    0.47368   
 H11387   H    0.22289    0.20291    0.42669   
 O11388   O    0.26597    0.21051    0.44005   
 O11389   O    0.23265    0.20176    0.40269   
 H11390   H    0.27148    0.27037    0.44473   
 O11391   O    0.26597    0.26431    0.41850   
 H11392   H    0.26360    0.12443    0.62159   
 H11393   H    0.22398    0.11402    0.56503   
 H11394   H    0.25420    0.11280    0.58212   
 O11395   O    0.26663    0.11534    0.59958   
 O11396   O    0.23419    0.10587    0.55908   
 H11397   H    -0.25428   0.20633    0.42933   
 H11398   H    -0.22406   0.20018    0.42432   
 H11399   H    -0.26371   0.21378    0.47557   
 O11400   O    -0.23427   0.20205    0.40201   
 O11401   O    -0.26673   0.21084    0.44351   
 H11402   H    -0.20015   0.25136    0.35923   
 O11403   O    -0.21395   0.25044    0.35614   
 H11404   H    -0.22300   0.11356    0.57273   
 H11405   H    -0.26531   0.12500    0.61442   
 H11406   H    -0.24558   0.11047    0.57163   
 O11407   O    -0.23277   0.10627    0.55880   
 O11408   O    -0.26610   0.11434    0.59719   
 Zr11409  Zr   0.23191    0.26445    0.41514   
 Zr11410  Zr   0.27114    0.23504    0.41047   
 Zr11411  Zr   0.22839    0.08187    0.59098   
 Zr11412  Zr   -0.23193   0.26446    0.41518   
 Zr11413  Zr   -0.22847   0.22366    0.35929   
 Zr11414  Zr   -0.27125   0.09325    0.64218   
 Zr11415  Zr   0.00032    0.28523    0.62426   
 O11416   O    0.24168    0.23956    0.40381   
 O11417   O    -0.24296   0.23990    0.40535   
 C11418   C    -0.74139   0.87262    0.71385   
 C11419   C    -0.75506   0.88227    0.73898   
 C11420   C    -0.76834   0.89243    0.71415   
 C11421   C    -0.76767   0.89328    0.66550   
 C11422   C    -0.75373   0.88392    0.64001   
 C11423   C    -0.74081   0.87342    0.66519   
 C11424   C    -0.74132   0.99483    0.51337   
 C11425   C    -0.75521   0.99864    0.54765   
 C11426   C    -0.76807   0.98563    0.56163   
 C11427   C    -0.76687   0.96914    0.54241   
 C11428   C    -0.75287   0.96515    0.50827   
 C11429   C    -0.74024   0.97839    0.49396   
 C11430   C    -0.75487   0.88181    0.79122   
 C11431   C    -0.75546   1.01598    0.57024   
 C11432   C    -0.74004   0.82239    0.48469   
 C11433   C    -0.75333   0.81869    0.44899   
 C11434   C    -0.76682   0.83134    0.43608   
 C11435   C    -0.76673   0.84743    0.45774   
 C11436   C    -0.75314   0.85142    0.49279   
 C11437   C    -0.74002   0.83848    0.50630   
 C11438   C    -0.73997   0.94291    0.28590   
 C11439   C    -0.75361   0.93318    0.26094   
 C11440   C    -0.76696   0.92309    0.28579   
 C11441   C    -0.76638   0.92241    0.33445   
 C11442   C    -0.75248   0.93188    0.35978   
 C11443   C    -0.73950   0.94232    0.33458   
 C11444   C    -0.75363   0.93367    0.20874   
 C11445   C    -0.75296   0.80174    0.42444   
 C11446   C    -0.75386   0.93251    0.40905   
 C11447   C    -0.75471   0.91682    0.43657   
 C11448   C    -0.75262   0.90078    0.41637   
 C11449   C    -0.75267   0.94814    0.43490   
 C11450   C    -0.75542   0.91694    0.48593   
 C11451   C    -0.75392   0.88414    0.59098   
 C11452   C    -0.75476   0.89983    0.56348   
 C11453   C    -0.75267   0.91587    0.58366   
 C11454   C    -0.75269   0.86850    0.56512   
 C11455   C    -0.75543   0.89971    0.51409   
 C11456   C    -0.75389   0.86737    0.51553   
 C11457   C    -0.75473   0.88367    0.49077   
 C11458   C    -0.75263   0.88457    0.44287   
 C11459   C    -0.75389   0.94928    0.48449   
 C11460   C    -0.75474   0.93299    0.50928   
 C11461   C    -0.75267   0.93208    0.55716   
 H11462   H    -0.73120   0.86471    0.73316   
 H11463   H    -0.77889   0.89990    0.73372   
 H11464   H    -0.77793   0.90141    0.64704   
 H11465   H    -0.73005   0.86591    0.64635   
 H11466   H    -0.73136   1.00493    0.50279   
 H11467   H    -0.77872   0.98856    0.58843   
 H11468   H    -0.77683   0.95920    0.55412   
 H11469   H    -0.72934   0.97569    0.46752   
 H11470   H    -0.72973   0.81248    0.49472   
 H11471   H    -0.77726   0.82834    0.40895   
 H11472   H    -0.77723   0.85712    0.44714   
 H11473   H    -0.72953   0.84115    0.53377   
 H11474   H    -0.72978   0.95079    0.26643   
 H11475   H    -0.77772   0.91583    0.26632   
 H11476   H    -0.77677   0.91446    0.35307   
 H11477   H    -0.72877   0.94986    0.35338   
 H11478   H    -0.74946   0.91697    0.61957   
 H11479   H    -0.75220   0.95996    0.41560   
 H11480   H    -0.75225   0.85669    0.58442   
 H11481   H    -0.74938   0.89968    0.38045   
 H11482   H    -0.74945   0.94329    0.57655   
 H11483   H    -0.74939   0.87336    0.42347   
 O11484   O    -0.74216   1.02640    0.55843   
 O11485   O    -0.76813   0.88980    0.81288   
 O11486   O    -0.74102   0.87361    0.81018   
 O11487   O    -0.76860   1.01900    0.60023   
 O11488   O    -0.76509   0.79936    0.39169   
 O11489   O    -0.74043   0.79092    0.43823   
 O11490   O    -0.74157   0.94379    0.18958   
 O11491   O    -0.76561   0.92406    0.18735   
 C11492   C    -0.26004   0.82249    0.48268   
 C11493   C    -0.24639   0.81885    0.44779   
 C11494   C    -0.23304   0.83165    0.43518   
 C11495   C    -0.23361   0.84786    0.45622   
 C11496   C    -0.24749   0.85174    0.49073   
 C11497   C    -0.26052   0.83865    0.50395   
 C11498   C    -0.25985   0.94358    0.28673   
 C11499   C    -0.24661   0.93359    0.26127   
 C11500   C    -0.23311   0.92351    0.28558   
 C11501   C    -0.23316   0.92310    0.33428   
 C11502   C    -0.24672   0.93272    0.36016   
 C11503   C    -0.25986   0.94315    0.33543   
 C11504   C    -0.24701   0.93344    0.20916   
 C11505   C    -0.24634   0.80157    0.42473   
 C11506   C    -0.25901   0.87248    0.71400   
 C11507   C    -0.24512   0.88181    0.73915   
 C11508   C    -0.23228   0.89252    0.71472   
 C11509   C    -0.23347   0.89402    0.66618   
 C11510   C    -0.24741   0.88474    0.64057   
 C11511   C    -0.26008   0.87387    0.66548   
 C11512   C    -0.25873   0.99471    0.51386   
 C11513   C    -0.24508   0.99836    0.54878   
 C11514   C    -0.23178   0.98551    0.56138   
 C11515   C    -0.23248   0.96928    0.54052   
 C11516   C    -0.24640   0.96536    0.50615   
 C11517   C    -0.25933   0.97851    0.49279   
 C11518   C    -0.24480   0.88097    0.79125   
 C11519   C    -0.24531   1.01556    0.57235   
 C11520   C    -0.24620   0.94928    0.48449   
 C11521   C    -0.24536   0.93298    0.50926   
 C11522   C    -0.24746   0.93208    0.55715   
 C11523   C    -0.24739   0.94815    0.43492   
 C11524   C    -0.24466   0.91694    0.48593   
 C11525   C    -0.24620   0.86737    0.51553   
 C11526   C    -0.24535   0.88366    0.49074   
 C11527   C    -0.24743   0.88456    0.44286   
 C11528   C    -0.24744   0.86850    0.56510   
 C11529   C    -0.24467   0.89971    0.51410   
 C11530   C    -0.24623   0.88414    0.59097   
 C11531   C    -0.24538   0.89983    0.56346   
 C11532   C    -0.24747   0.91587    0.58366   
 C11533   C    -0.24617   0.93250    0.40905   
 C11534   C    -0.24534   0.91681    0.43654   
 C11535   C    -0.24742   0.90078    0.41636   
 H11536   H    -0.27023   0.81246    0.49252   
 H11537   H    -0.22227   0.82870    0.40870   
 H11538   H    -0.22321   0.85765    0.44584   
 H11539   H    -0.27124   0.84124    0.53082   
 H11540   H    -0.27015   0.95145    0.26761   
 H11541   H    -0.22271   0.91601    0.26571   
 H11542   H    -0.22266   0.91515    0.35256   
 H11543   H    -0.27031   0.95088    0.35458   
 H11544   H    -0.26897   0.86427    0.73312   
 H11545   H    -0.22164   0.89987    0.73437   
 H11546   H    -0.22349   0.90251    0.64789   
 H11547   H    -0.27096   0.86654    0.64660   
 H11548   H    -0.26890   1.00473    0.50399   
 H11549   H    -0.22120   0.98833    0.58846   
 H11550   H    -0.22220   0.95943    0.55129   
 H11551   H    -0.27009   0.97592    0.46597   
 H11552   H    -0.24785   0.95996    0.41561   
 H11553   H    -0.25065   0.87336    0.42348   
 H11554   H    -0.25070   0.94329    0.57655   
 H11555   H    -0.24790   0.85669    0.58442   
 H11556   H    -0.25063   0.89968    0.38045   
 H11557   H    -0.25071   0.91697    0.61958   
 O11558   O    -0.23432   0.79903    0.39182   
 O11559   O    -0.25840   0.79057    0.44009   
 O11560   O    -0.25952   0.94298    0.18961   
 O11561   O    -0.23489   0.92385    0.18820   
 O11562   O    -0.25919   1.02555    0.56169   
 O11563   O    -0.25807   0.87219    0.81063   
 O11564   O    -0.23163   0.88930    0.81251   
 O11565   O    -0.23210   1.01889    0.60178   
 H11566   H    -0.29985   0.75230    0.35749   
 O11567   O    -0.28604   0.75170    0.35391   
 H11568   H    -0.77152   0.77133    0.44307   
 O11569   O    -0.76600   0.76557    0.41632   
 H11570   H    -0.20387   1.02902    0.59131   
 H11571   H    -0.19951   1.04906    0.59497   
 H11572   H    -0.20036   1.06594    0.53500   
 O11573   O    -0.20065   1.06758    0.56843   
 O11574   O    -0.20091   1.03799    0.61371   
 H11575   H    -0.52834   1.01854    0.43649   
 O11576   O    -0.52004   1.01324    0.41354   
 H11577   H    -0.47180   0.96801    0.40049   
 O11578   O    -0.47986   0.97661    0.38587   
 H11579   H    -0.48645   0.80642    0.49320   
 H11580   H    -0.49976   0.79354    0.52176   
 H11581   H    -0.48944   0.76908    0.54766   
 O11582   O    -0.50034   0.77639    0.55448   
 O11583   O    -0.49926   0.80533    0.50627   
 H11584   H    -0.48928   1.04759    0.45223   
 H11585   H    -0.49966   1.02317    0.47822   
 H11586   H    -0.48638   1.01031    0.50677   
 O11587   O    -0.49920   1.01139    0.49372   
 O11588   O    -0.50020   1.04032    0.44542   
 H11589   H    -0.50032   0.86393    0.58692   
 H11590   H    -0.51082   0.85431    0.52100   
 H11591   H    -0.51349   0.87454    0.62188   
 O11592   O    -0.49983   0.85181    0.54051   
 O11593   O    -0.50071   0.86967    0.61884   
 H11594   H    -0.52846   0.79811    0.56352   
 O11595   O    -0.52016   0.80342    0.58640   
 H11596   H    -0.47186   0.84872    0.59942   
 O11597   O    -0.47993   0.84012    0.61404   
 H11598   H    -0.51342   0.94215    0.37809   
 H11599   H    -0.51074   0.96240    0.47895   
 H11600   H    -0.50024   0.95277    0.41305   
 O11601   O    -0.50063   0.94702    0.38116   
 O11602   O    -0.49974   0.96490    0.45946   
 Zr11603  Zr   -0.73193   1.05207    0.58473   
 Zr11604  Zr   -0.26824   1.05206    0.58469   
 Zr11605  Zr   -0.53616   1.00000    0.35013   
 Zr11606  Zr   -0.50046   0.82608    0.56467   
 Zr11607  Zr   -0.50039   0.99061    0.43528   
 O11608   O    -0.72400   1.06484    0.64542   
 O11609   O    -0.25704   0.77271    0.35172   
 O11610   O    -0.23931   1.05501    0.60121   
 O11611   O    -0.74167   0.77237    0.35019   
 O11612   O    -0.48477   0.80742    0.60470   
 O11613   O    -0.51544   0.83339    0.62456   
 O11614   O    -0.51537   0.98326    0.37541   
 O11615   O    -0.48466   1.00931    0.39520   
 C11616   C    -0.32246   0.62239    0.70953   
 C11617   C    -0.31632   0.61678    0.66524   
 C11618   C    -0.32545   0.62339    0.62522   
 C11619   C    -0.34008   0.63561    0.62943   
 C11620   C    -0.34599   0.64165    0.67368   
 C11621   C    -0.33709   0.63458    0.71363   
 C11622   C    -0.32184   0.74305    0.51140   
 C11623   C    -0.31617   0.73120    0.47691   
 C11624   C    -0.32539   0.71509    0.47468   
 C11625   C    -0.33965   0.71078    0.50699   
 C11626   C    -0.34518   0.72246    0.54230   
 C11627   C    -0.33620   0.73876    0.54345   
 C11628   C    -0.30047   0.73588    0.44354   
 C11629   C    -0.30016   0.60425    0.66056   
 C11630   C    -0.41819   0.76906    0.62282   
 C11631   C    -0.43751   0.76405    0.61713   
 C11632   C    -0.44181   0.74651    0.61084   
 C11633   C    -0.42712   0.73422    0.61087   
 C11634   C    -0.40768   0.73911    0.61672   
 C11635   C    -0.40352   0.75679    0.62242   
 C11636   C    -0.41827   0.64666    0.82223   
 C11637   C    -0.43760   0.64755    0.80772   
 C11638   C    -0.44166   0.65302    0.76191   
 C11639   C    -0.42682   0.65794    0.73191   
 C11640   C    -0.40740   0.65747    0.74651   
 C11641   C    -0.40342   0.65147    0.79205   
 C11642   C    -0.45318   0.77717    0.62023   
 C11643   C    -0.45331   0.64309    0.84141   
 C11644   C    -0.36126   0.71848    0.57086   
 C11645   C    -0.36226   0.70230    0.59615   
 C11646   C    -0.34701   0.69089    0.59676   
 C11647   C    -0.37639   0.73042    0.58004   
 C11648   C    -0.37777   0.69811    0.62613   
 C11649   C    -0.39277   0.66174    0.71506   
 C11650   C    -0.39261   0.67724    0.68671   
 C11651   C    -0.40576   0.69033    0.69365   
 C11652   C    -0.37643   0.65077    0.71024   
 C11653   C    -0.37778   0.68088    0.65430   
 C11654   C    -0.36129   0.65335    0.67734   
 C11655   C    -0.36228   0.66915    0.65035   
 C11656   C    -0.34702   0.67468    0.62326   
 C11657   C    -0.39274   0.72687    0.60858   
 C11658   C    -0.39260   0.71039    0.63251   
 C11659   C    -0.40575   0.70654    0.66715   
 H11660   H    -0.31542   0.61710    0.74036   
 H11661   H    -0.32087   0.61883    0.59107   
 H11662   H    -0.34694   0.64067    0.59803   
 H11663   H    -0.34158   0.63883    0.74823   
 H11664   H    -0.31473   0.75554    0.51265   
 H11665   H    -0.32120   0.70609    0.44739   
 H11666   H    -0.34657   0.69821    0.50485   
 H11667   H    -0.34036   0.74805    0.57009   
 H11668   H    -0.41498   0.78265    0.62791   
 H11669   H    -0.45680   0.74266    0.60691   
 H11670   H    -0.43075   0.72066    0.60637   
 H11671   H    -0.38865   0.76093    0.62694   
 H11672   H    -0.41519   0.64231    0.85758   
 H11673   H    -0.45664   0.65372    0.75067   
 H11674   H    -0.43030   0.66237    0.69678   
 H11675   H    -0.38856   0.65077    0.80410   
 H11676   H    -0.37615   0.74241    0.56157   
 H11677   H    -0.41569   0.68964    0.72155   
 H11678   H    -0.33387   0.69416    0.58047   
 H11679   H    -0.37620   0.63915    0.73038   
 H11680   H    -0.41568   0.71596    0.67852   
 H11681   H    -0.33388   0.66784    0.62349   
 O11682   O    -0.29502   0.60000    0.61941   
 O11683   O    -0.29271   0.59875    0.69831   
 O11684   O    -0.29361   0.75103    0.44700   
 O11685   O    -0.29510   0.72450    0.41422   
 O11686   O    -0.44811   0.64003    0.88328   
 O11687   O    -0.44809   0.79248    0.63024   
 O11688   O    -0.47043   0.77211    0.61366   
 O11689   O    -0.47057   0.64299    0.82655   
 C11690   C    -0.67832   0.62270    0.70848   
 C11691   C    -0.68399   0.61692    0.66399   
 C11692   C    -0.67478   0.62372    0.62436   
 C11693   C    -0.66051   0.63628    0.62899   
 C11694   C    -0.65495   0.64238    0.67349   
 C11695   C    -0.66397   0.63516    0.71313   
 C11696   C    -0.67759   0.74357    0.51156   
 C11697   C    -0.68375   0.73169    0.47761   
 C11698   C    -0.67461   0.71557    0.47474   
 C11699   C    -0.65994   0.71126    0.50591   
 C11700   C    -0.65400   0.72292    0.54096   
 C11701   C    -0.66291   0.73923    0.54266   
 C11702   C    -0.69994   0.73597    0.44540   
 C11703   C    -0.69966   0.60381    0.65967   
 C11704   C    -0.58191   0.76862    0.62736   
 C11705   C    -0.56259   0.76349    0.62278   
 C11706   C    -0.55846   0.74603    0.61446   
 C11707   C    -0.57329   0.73392    0.61186   
 C11708   C    -0.59273   0.73892    0.61726   
 C11709   C    -0.59673   0.75654    0.62443   
 C11710   C    -0.58251   0.64766    0.82385   
 C11711   C    -0.56311   0.64894    0.81018   
 C11712   C    -0.55872   0.65426    0.76446   
 C11713   C    -0.57343   0.65860    0.73345   
 C11714   C    -0.59295   0.65779    0.74717   
 C11715   C    -0.59719   0.65198    0.79271   
 C11716   C    -0.54730   0.64498    0.84384   
 C11717   C    -0.54686   0.77656    0.62693   
 C11718   C    -0.60743   0.72687    0.60858   
 C11719   C    -0.60758   0.71040    0.63254   
 C11720   C    -0.59445   0.70654    0.66716   
 C11721   C    -0.62375   0.73042    0.58005   
 C11722   C    -0.62240   0.69811    0.62612   
 C11723   C    -0.63891   0.65335    0.67734   
 C11724   C    -0.63792   0.66915    0.65037   
 C11725   C    -0.65314   0.67468    0.62328   
 C11726   C    -0.62380   0.65077    0.71023   
 C11727   C    -0.62240   0.68088    0.65430   
 C11728   C    -0.60746   0.66174    0.71506   
 C11729   C    -0.60759   0.67724    0.68674   
 C11730   C    -0.59446   0.69033    0.69366   
 C11731   C    -0.63888   0.71848    0.57086   
 C11732   C    -0.63790   0.70231    0.59617   
 C11733   C    -0.65313   0.69089    0.59678   
 H11734   H    -0.68542   0.61728    0.73902   
 H11735   H    -0.67897   0.61901    0.58998   
 H11736   H    -0.65360   0.64145    0.59785   
 H11737   H    -0.65981   0.63951    0.74789   
 H11738   H    -0.68464   0.75606    0.51325   
 H11739   H    -0.67924   0.70653    0.44795   
 H11740   H    -0.65309   0.69869    0.50340   
 H11741   H    -0.65841   0.74855    0.56897   
 H11742   H    -0.58500   0.78219    0.63345   
 H11743   H    -0.54350   0.74212    0.61010   
 H11744   H    -0.56981   0.72044    0.60561   
 H11745   H    -0.61161   0.76077    0.62826   
 H11746   H    -0.58576   0.64339    0.85917   
 H11747   H    -0.54369   0.65498    0.75386   
 H11748   H    -0.56979   0.66279    0.69823   
 H11749   H    -0.61215   0.65102    0.80400   
 H11750   H    -0.62397   0.74241    0.56157   
 H11751   H    -0.66628   0.66784    0.62350   
 H11752   H    -0.58453   0.71596    0.67852   
 H11753   H    -0.62402   0.63915    0.73039   
 H11754   H    -0.66627   0.69416    0.58048   
 H11755   H    -0.58454   0.68964    0.72154   
 O11756   O    -0.70498   0.59949    0.61874   
 O11757   O    -0.70649   0.59784    0.69764   
 O11758   O    -0.70742   0.75084    0.44983   
 O11759   O    -0.70511   0.72452    0.41607   
 O11760   O    -0.52952   0.77129    0.62469   
 O11761   O    -0.55210   0.79217    0.63227   
 O11762   O    -0.55238   0.64013    0.88445   
 O11763   O    -0.53003   0.64674    0.82958   
 H11764   H    -0.25452   0.70399    0.41881   
 H11765   H    -0.23482   0.71115    0.47368   
 H11766   H    -0.27711   0.70291    0.42669   
 O11767   O    -0.23403   0.71051    0.44005   
 O11768   O    -0.26735   0.70176    0.40269   
 H11769   H    -0.22852   0.77037    0.44473   
 O11770   O    -0.23403   0.76431    0.41850   
 H11771   H    -0.23640   0.62443    0.62159   
 H11772   H    -0.27602   0.61402    0.56503   
 H11773   H    -0.24580   0.61280    0.58212   
 O11774   O    -0.23337   0.61534    0.59958   
 O11775   O    -0.26581   0.60587    0.55908   
 H11776   H    -0.75428   0.70633    0.42933   
 H11777   H    -0.72406   0.70018    0.42432   
 H11778   H    -0.76371   0.71378    0.47557   
 O11779   O    -0.73427   0.70205    0.40201   
 O11780   O    -0.76673   0.71084    0.44351   
 H11781   H    -0.70015   0.75136    0.35923   
 O11782   O    -0.71395   0.75044    0.35614   
 H11783   H    -0.72300   0.61356    0.57273   
 H11784   H    -0.76531   0.62500    0.61442   
 H11785   H    -0.74558   0.61047    0.57163   
 O11786   O    -0.73277   0.60627    0.55880   
 O11787   O    -0.76610   0.61434    0.59719   
 Zr11788  Zr   -0.26809   0.76445    0.41514   
 Zr11789  Zr   -0.22886   0.73504    0.41047   
 Zr11790  Zr   -0.27161   0.58187    0.59098   
 Zr11791  Zr   -0.73193   0.76446    0.41518   
 Zr11792  Zr   -0.72847   0.72366    0.35929   
 Zr11793  Zr   -0.77125   0.59325    0.64218   
 Zr11794  Zr   -0.49968   0.78523    0.62426   
 O11795   O    -0.25832   0.73956    0.40381   
 O11796   O    -0.74296   0.73990    0.40535   
 H11797   H    2.68962    -0.75789   0.42663   
 H11798   H    2.69907    -0.73273   0.40396   
 H11799   H    2.69013    -0.72334   0.35978   
 O11800   O    2.69999    -0.72205   0.38348   
 O11801   O    2.70078    -0.75082   0.43253   
 C11802   C    2.32298    -0.92705   0.49128   
 C11803   C    2.31757    -0.91545   0.52662   
 C11804   C    2.32611    -0.89904   0.52778   
 C11805   C    2.33961    -0.89426   0.49402   
 C11806   C    2.34511    -0.90579   0.45830   
 C11807   C    2.33659    -0.92231   0.45781   
 C11808   C    2.32324    -0.80470   0.29164   
 C11809   C    2.31757    -0.79892   0.33614   
 C11810   C    2.32680    -0.80577   0.37574   
 C11811   C    2.34093    -0.81841   0.37105   
 C11812   C    2.34643    -0.82457   0.32656   
 C11813   C    2.33749    -0.81725   0.28699   
 C11814   C    2.30220    -0.92030   0.56066   
 C11815   C    2.30164    -0.78603   0.34032   
 C11816   C    2.41774    -0.83118   0.17610   
 C11817   C    2.43716    -0.83237   0.18978   
 C11818   C    2.44151    -0.83771   0.23553   
 C11819   C    2.42679    -0.84211   0.26648   
 C11820   C    2.40728    -0.84138   0.25268   
 C11821   C    2.40306    -0.83556   0.20713   
 C11822   C    2.41823    -0.95213   0.37293   
 C11823   C    2.43754    -0.94694   0.37747   
 C11824   C    2.44166    -0.92947   0.38580   
 C11825   C    2.42682    -0.91740   0.38840   
 C11826   C    2.40740    -0.92244   0.38295   
 C11827   C    2.40340    -0.94007   0.37583   
 C11828   C    2.45327    -0.95998   0.37321   
 C11829   C    2.45296    -0.82835   0.15618   
 C11830   C    2.36120    -0.83670   0.32268   
 C11831   C    2.36219    -0.85250   0.34967   
 C11832   C    2.34693    -0.85803   0.37676   
 C11833   C    2.37634    -0.83412   0.28978   
 C11834   C    2.37769    -0.86424   0.34573   
 C11835   C    2.39264    -0.91022   0.39144   
 C11836   C    2.39250    -0.89374   0.36751   
 C11837   C    2.40566    -0.88989   0.33287   
 C11838   C    2.37630    -0.91377   0.41998   
 C11839   C    2.37768    -0.88147   0.37389   
 C11840   C    2.36116    -0.90184   0.42916   
 C11841   C    2.36217    -0.88566   0.40387   
 C11842   C    2.34692    -0.87424   0.40327   
 C11843   C    2.39268    -0.84509   0.28496   
 C11844   C    2.39252    -0.86059   0.31331   
 C11845   C    2.40567    -0.87368   0.30637   
 H11846   H    2.31625    -0.93969   0.49042   
 H11847   H    2.32173    -0.89003   0.55495   
 H11848   H    2.34594    -0.88142   0.49528   
 H11849   H    2.34059    -0.93147   0.43068   
 H11850   H    2.31617    -0.79928   0.26111   
 H11851   H    2.32238    -0.80130   0.41022   
 H11852   H    2.34771    -0.82371   0.40224   
 H11853   H    2.34161    -0.82162   0.25218   
 H11854   H    2.41449    -0.82690   0.14074   
 H11855   H    2.45653    -0.83837   0.24620   
 H11856   H    2.43042    -0.84632   0.30173   
 H11857   H    2.38810    -0.83463   0.19583   
 H11858   H    2.41516    -0.96570   0.36682   
 H11859   H    2.45662    -0.92557   0.39015   
 H11860   H    2.43030    -0.90392   0.39464   
 H11861   H    2.38851    -0.94428   0.37198   
 H11862   H    2.37611    -0.82250   0.26964   
 H11863   H    2.41559    -0.89931   0.32150   
 H11864   H    2.33379    -0.85119   0.37653   
 H11865   H    2.37606    -0.92576   0.43845   
 H11866   H    2.41560    -0.87299   0.27847   
 H11867   H    2.33378    -0.87751   0.41956   
 O11868   O    2.29297    -0.78206   0.30260   
 O11869   O    2.29404    -0.93479   0.55435   
 O11870   O    2.29811    -0.90955   0.59282   
 O11871   O    2.29759    -0.78026   0.38073   
 O11872   O    2.47023    -0.83007   0.17048   
 O11873   O    2.44790    -0.82350   0.11555   
 O11874   O    2.44805    -0.97557   0.36778   
 O11875   O    2.47061    -0.95466   0.37535   
 C11876   C    2.67685    -0.92689   0.49115   
 C11877   C    2.68254    -0.91512   0.52586   
 C11878   C    2.67339    -0.89898   0.52793   
 C11879   C    2.65928    -0.89454   0.49541   
 C11880   C    2.65376    -0.90615   0.45981   
 C11881   C    2.66267    -0.92247   0.45882   
 C11882   C    2.67672    -0.80463   0.29092   
 C11883   C    2.68216    -0.79858   0.33532   
 C11884   C    2.67349    -0.80585   0.37511   
 C11885   C    2.65997    -0.81906   0.37060   
 C11886   C    2.65453    -0.82532   0.32624   
 C11887   C    2.66310    -0.81774   0.28649   
 C11888   C    2.69838    -0.91985   0.55889   
 C11889   C    2.69761    -0.78528   0.33971   
 C11890   C    2.58190    -0.83011   0.17764   
 C11891   C    2.56255    -0.83096   0.19205   
 C11892   C    2.55841    -0.83648   0.23774   
 C11893   C    2.57319    -0.84145   0.26788   
 C11894   C    2.59264    -0.84098   0.25340   
 C11895   C    2.59667    -0.83498   0.20793   
 C11896   C    2.58205    -0.95238   0.37782   
 C11897   C    2.56273    -0.94733   0.38337   
 C11898   C    2.55851    -0.92977   0.38984   
 C11899   C    2.57325    -0.91753   0.38996   
 C11900   C    2.59269    -0.92245   0.38405   
 C11901   C    2.59676    -0.94014   0.37833   
 C11902   C    2.54692    -0.82638   0.15833   
 C11903   C    2.54700    -0.96043   0.37988   
 C11904   C    2.60737    -0.84509   0.28496   
 C11905   C    2.60750    -0.86059   0.31328   
 C11906   C    2.59437    -0.87368   0.30636   
 C11907   C    2.62370    -0.83413   0.28977   
 C11908   C    2.62232    -0.86423   0.34574   
 C11909   C    2.63878    -0.90184   0.42916   
 C11910   C    2.63781    -0.88566   0.40385   
 C11911   C    2.65304    -0.87424   0.40325   
 C11912   C    2.62367    -0.91377   0.41999   
 C11913   C    2.62230    -0.88147   0.37389   
 C11914   C    2.60733    -0.91022   0.39144   
 C11915   C    2.60749    -0.89375   0.36748   
 C11916   C    2.59436    -0.88990   0.33286   
 C11917   C    2.63882    -0.83670   0.32268   
 C11918   C    2.63783    -0.85251   0.34965   
 C11919   C    2.65305    -0.85803   0.37675   
 H11920   H    2.68390    -0.93941   0.48980   
 H11921   H    2.67785    -0.88987   0.55484   
 H11922   H    2.65255    -0.88188   0.49733   
 H11923   H    2.65853    -0.93174   0.43204   
 H11924   H    2.68350    -0.79900   0.26026   
 H11925   H    2.67784    -0.80124   0.40947   
 H11926   H    2.65360    -0.82464   0.40193   
 H11927   H    2.65912    -0.82228   0.25179   
 H11928   H    2.58505    -0.82575   0.14233   
 H11929   H    2.54342    -0.83715   0.24879   
 H11930   H    2.56963    -0.84589   0.30293   
 H11931   H    2.61158    -0.83432   0.19600   
 H11932   H    2.58522    -0.96597   0.37270   
 H11933   H    2.54355    -0.92588   0.39374   
 H11934   H    2.56966    -0.90398   0.39450   
 H11935   H    2.61165    -0.94431   0.37389   
 H11936   H    2.66618    -0.87751   0.41955   
 H11937   H    2.62393    -0.82250   0.26964   
 H11938   H    2.62388    -0.92577   0.43845   
 H11939   H    2.58445    -0.87299   0.27848   
 H11940   H    2.66619    -0.85119   0.37652   
 H11941   H    2.58444    -0.89931   0.32151   
 O11942   O    2.70587    -0.78061   0.30205   
 O11943   O    2.70239    -0.90938   0.59167   
 O11944   O    2.70700    -0.93404   0.55091   
 O11945   O    2.70172    -0.77986   0.38052   
 O11946   O    2.55206    -0.97573   0.36970   
 O11947   O    2.52965    -0.82625   0.17321   
 O11948   O    2.55214    -0.82327   0.11651   
 O11949   O    2.52976    -0.95534   0.38633   
 H11950   H    2.26464    -0.91280   0.54810   
 O11951   O    2.26077    -0.91822   0.57700   
 H11952   H    2.30984    -0.75935   0.41878   
 H11953   H    2.30089    -0.74054   0.41691   
 H11954   H    2.31037    -0.72136   0.36728   
 O11955   O    2.29918    -0.72278   0.38692   
 O11956   O    2.29999    -0.75221   0.43288   
 H11957   H    2.20025    -0.97057   0.59446   
 H11958   H    2.19933    -0.94314   0.58199   
 H11959   H    2.20368    -0.93498   0.53231   
 O11960   O    2.20073    -0.93185   0.56425   
 O11961   O    2.20050    -0.96046   0.61402   
 H11962   H    2.26350    -0.79319   0.35061   
 O11963   O    2.25930    -0.78132   0.35067   
 H11964   H    2.73643    -0.91313   0.54662   
 O11965   O    2.74061    -0.91864   0.57513   
 H11966   H    2.73529    -0.79288   0.35199   
 O11967   O    2.73916    -0.78092   0.35249   
 Zr11968  Zr   2.27367    -0.90837   0.64655   
 Zr11969  Zr   2.22667    -0.77538   0.35203   
 Zr11970  Zr   2.77326    -0.92092   0.59009   
 Zr11971  Zr   2.72623    -0.76283   0.40848   
 Zr11972  Zr   2.50045    -0.96852   0.37567   
 Zr11973  Zr   2.53629    -0.99993   0.35006   
 O11974   O    2.23916    -0.94388   0.59934   
 O11975   O    2.72381    -0.93406   0.64351   
 C11976   C    2.25861    -1.12738   0.71385   
 C11977   C    2.24494    -1.11773   0.73898   
 C11978   C    2.23166    -1.10757   0.71415   
 C11979   C    2.23233    -1.10672   0.66550   
 C11980   C    2.24627    -1.11608   0.64001   
 C11981   C    2.25919    -1.12658   0.66519   
 C11982   C    2.25868    -1.00517   0.51337   
 C11983   C    2.24479    -1.00136   0.54765   
 C11984   C    2.23193    -1.01437   0.56163   
 C11985   C    2.23313    -1.03086   0.54241   
 C11986   C    2.24713    -1.03485   0.50827   
 C11987   C    2.25976    -1.02161   0.49396   
 C11988   C    2.24513    -1.11819   0.79122   
 C11989   C    2.24454    -0.98402   0.57024   
 C11990   C    2.25996    -1.17761   0.48469   
 C11991   C    2.24667    -1.18131   0.44899   
 C11992   C    2.23318    -1.16866   0.43608   
 C11993   C    2.23327    -1.15257   0.45774   
 C11994   C    2.24686    -1.14858   0.49279   
 C11995   C    2.25998    -1.16152   0.50630   
 C11996   C    2.26003    -1.05709   0.28590   
 C11997   C    2.24639    -1.06682   0.26094   
 C11998   C    2.23304    -1.07691   0.28579   
 C11999   C    2.23362    -1.07759   0.33445   
 C12000   C    2.24752    -1.06812   0.35978   
 C12001   C    2.26050    -1.05768   0.33458   
 C12002   C    2.24637    -1.06633   0.20874   
 C12003   C    2.24704    -1.19826   0.42444   
 C12004   C    2.24614    -1.06749   0.40905   
 C12005   C    2.24529    -1.08318   0.43657   
 C12006   C    2.24738    -1.09922   0.41637   
 C12007   C    2.24733    -1.05186   0.43490   
 C12008   C    2.24458    -1.08306   0.48593   
 C12009   C    2.24608    -1.11586   0.59098   
 C12010   C    2.24524    -1.10017   0.56348   
 C12011   C    2.24733    -1.08413   0.58366   
 C12012   C    2.24731    -1.13150   0.56512   
 C12013   C    2.24457    -1.10029   0.51409   
 C12014   C    2.24611    -1.13263   0.51553   
 C12015   C    2.24527    -1.11633   0.49077   
 C12016   C    2.24737    -1.11543   0.44287   
 C12017   C    2.24611    -1.05072   0.48449   
 C12018   C    2.24526    -1.06701   0.50928   
 C12019   C    2.24733    -1.06792   0.55716   
 H12020   H    2.26880    -1.13529   0.73316   
 H12021   H    2.22111    -1.10010   0.73372   
 H12022   H    2.22207    -1.09859   0.64704   
 H12023   H    2.26995    -1.13409   0.64635   
 H12024   H    2.26864    -0.99507   0.50279   
 H12025   H    2.22128    -1.01144   0.58843   
 H12026   H    2.22317    -1.04080   0.55412   
 H12027   H    2.27066    -1.02431   0.46752   
 H12028   H    2.27027    -1.18752   0.49472   
 H12029   H    2.22274    -1.17166   0.40895   
 H12030   H    2.22277    -1.14288   0.44714   
 H12031   H    2.27047    -1.15885   0.53377   
 H12032   H    2.27022    -1.04921   0.26643   
 H12033   H    2.22228    -1.08417   0.26632   
 H12034   H    2.22323    -1.08554   0.35307   
 H12035   H    2.27123    -1.05014   0.35338   
 H12036   H    2.25054    -1.08303   0.61957   
 H12037   H    2.24780    -1.04004   0.41560   
 H12038   H    2.24775    -1.14331   0.58442   
 H12039   H    2.25062    -1.10032   0.38045   
 H12040   H    2.25055    -1.05671   0.57655   
 H12041   H    2.25061    -1.12664   0.42347   
 O12042   O    2.25784    -0.97360   0.55843   
 O12043   O    2.23187    -1.11020   0.81288   
 O12044   O    2.25898    -1.12639   0.81018   
 O12045   O    2.23140    -0.98100   0.60023   
 O12046   O    2.23491    -1.20064   0.39169   
 O12047   O    2.25957    -1.20908   0.43823   
 O12048   O    2.25843    -1.05621   0.18958   
 O12049   O    2.23439    -1.07594   0.18735   
 C12050   C    2.73996    -1.17751   0.48268   
 C12051   C    2.75361    -1.18115   0.44779   
 C12052   C    2.76696    -1.16835   0.43518   
 C12053   C    2.76639    -1.15214   0.45622   
 C12054   C    2.75251    -1.14826   0.49073   
 C12055   C    2.73948    -1.16135   0.50395   
 C12056   C    2.74015    -1.05642   0.28673   
 C12057   C    2.75339    -1.06641   0.26127   
 C12058   C    2.76689    -1.07649   0.28558   
 C12059   C    2.76684    -1.07690   0.33428   
 C12060   C    2.75328    -1.06728   0.36016   
 C12061   C    2.74014    -1.05685   0.33543   
 C12062   C    2.75299    -1.06656   0.20916   
 C12063   C    2.75366    -1.19843   0.42473   
 C12064   C    2.74099    -1.12752   0.71400   
 C12065   C    2.75488    -1.11819   0.73915   
 C12066   C    2.76772    -1.10748   0.71472   
 C12067   C    2.76653    -1.10598   0.66618   
 C12068   C    2.75259    -1.11526   0.64057   
 C12069   C    2.73992    -1.12613   0.66548   
 C12070   C    2.74127    -1.00529   0.51386   
 C12071   C    2.75492    -1.00164   0.54878   
 C12072   C    2.76822    -1.01449   0.56138   
 C12073   C    2.76752    -1.03072   0.54052   
 C12074   C    2.75360    -1.03464   0.50615   
 C12075   C    2.74067    -1.02149   0.49279   
 C12076   C    2.75520    -1.11903   0.79125   
 C12077   C    2.75469    -0.98444   0.57235   
 C12078   C    2.75380    -1.05072   0.48449   
 C12079   C    2.75464    -1.06702   0.50926   
 C12080   C    2.75254    -1.06792   0.55715   
 C12081   C    2.75261    -1.05185   0.43492   
 C12082   C    2.75534    -1.08306   0.48593   
 C12083   C    2.75380    -1.13263   0.51553   
 C12084   C    2.75465    -1.11634   0.49074   
 C12085   C    2.75257    -1.11544   0.44286   
 C12086   C    2.75256    -1.13150   0.56510   
 C12087   C    2.75533    -1.10029   0.51410   
 C12088   C    2.75377    -1.11586   0.59097   
 C12089   C    2.75462    -1.10017   0.56346   
 C12090   C    2.75253    -1.08413   0.58366   
 C12091   C    2.75383    -1.06750   0.40905   
 C12092   C    2.75466    -1.08319   0.43654   
 C12093   C    2.75258    -1.09922   0.41636   
 H12094   H    2.72977    -1.18754   0.49252   
 H12095   H    2.77773    -1.17130   0.40870   
 H12096   H    2.77679    -1.14235   0.44584   
 H12097   H    2.72876    -1.15876   0.53082   
 H12098   H    2.72985    -1.04855   0.26761   
 H12099   H    2.77729    -1.08399   0.26571   
 H12100   H    2.77734    -1.08485   0.35256   
 H12101   H    2.72969    -1.04912   0.35458   
 H12102   H    2.73103    -1.13573   0.73312   
 H12103   H    2.77836    -1.10013   0.73437   
 H12104   H    2.77651    -1.09749   0.64789   
 H12105   H    2.72904    -1.13346   0.64660   
 H12106   H    2.73110    -0.99527   0.50399   
 H12107   H    2.77880    -1.01167   0.58846   
 H12108   H    2.77780    -1.04057   0.55129   
 H12109   H    2.72991    -1.02408   0.46597   
 H12110   H    2.75215    -1.04004   0.41561   
 H12111   H    2.74935    -1.12664   0.42348   
 H12112   H    2.74930    -1.05671   0.57655   
 H12113   H    2.75210    -1.14331   0.58442   
 H12114   H    2.74937    -1.10032   0.38045   
 H12115   H    2.74929    -1.08303   0.61958   
 O12116   O    2.76568    -1.20097   0.39182   
 O12117   O    2.74160    -1.20943   0.44009   
 O12118   O    2.74048    -1.05702   0.18961   
 O12119   O    2.76511    -1.07615   0.18820   
 O12120   O    2.74081    -0.97445   0.56169   
 O12121   O    2.74193    -1.12781   0.81063   
 O12122   O    2.76837    -1.11070   0.81251   
 O12123   O    2.76790    -0.98111   0.60178   
 H12124   H    2.70015    -1.24770   0.35749   
 O12125   O    2.71396    -1.24830   0.35391   
 H12126   H    2.22848    -1.22867   0.44307   
 O12127   O    2.23400    -1.23443   0.41632   
 H12128   H    2.79613    -0.97098   0.59131   
 H12129   H    2.80049    -0.95094   0.59497   
 H12130   H    2.79964    -0.93406   0.53500   
 O12131   O    2.79935    -0.93242   0.56843   
 O12132   O    2.79909    -0.96201   0.61371   
 H12133   H    2.47166    -0.98146   0.43649   
 O12134   O    2.47996    -0.98676   0.41354   
 H12135   H    2.52820    -1.03199   0.40049   
 O12136   O    2.52014    -1.02339   0.38587   
 H12137   H    2.51355    -1.19358   0.49320   
 H12138   H    2.50024    -1.20646   0.52176   
 H12139   H    2.51056    -1.23092   0.54766   
 O12140   O    2.49966    -1.22361   0.55448   
 O12141   O    2.50074    -1.19467   0.50627   
 H12142   H    2.51072    -0.95241   0.45223   
 H12143   H    2.50034    -0.97683   0.47822   
 H12144   H    2.51362    -0.98969   0.50677   
 O12145   O    2.50080    -0.98861   0.49372   
 O12146   O    2.49980    -0.95968   0.44542   
 H12147   H    2.49968    -1.13607   0.58692   
 H12148   H    2.48918    -1.14569   0.52100   
 H12149   H    2.48651    -1.12546   0.62188   
 O12150   O    2.50017    -1.14819   0.54051   
 O12151   O    2.49929    -1.13033   0.61884   
 H12152   H    2.47154    -1.20189   0.56352   
 O12153   O    2.47984    -1.19658   0.58640   
 H12154   H    2.52814    -1.15128   0.59942   
 O12155   O    2.52007    -1.15988   0.61404   
 H12156   H    2.48658    -1.05785   0.37809   
 H12157   H    2.48926    -1.03760   0.47895   
 H12158   H    2.49976    -1.04723   0.41305   
 O12159   O    2.49937    -1.05298   0.38116   
 O12160   O    2.50026    -1.03510   0.45946   
 Zr12161  Zr   2.26807    -0.94793   0.58473   
 Zr12162  Zr   2.73176    -0.94794   0.58469   
 Zr12163  Zr   2.46384    -1.00000   0.35013   
 Zr12164  Zr   2.49954    -1.17392   0.56467   
 Zr12165  Zr   2.49961    -1.00939   0.43528   
 O12166   O    2.27600    -0.93516   0.64542   
 O12167   O    2.74296    -1.22729   0.35172   
 O12168   O    2.76069    -0.94499   0.60121   
 O12169   O    2.25833    -1.22763   0.35019   
 O12170   O    2.51523    -1.19258   0.60470   
 O12171   O    2.48456    -1.16661   0.62456   
 O12172   O    2.48463    -1.01674   0.37541   
 O12173   O    2.51534    -0.99069   0.39520   
 H12174   H    2.18962    -0.25789   0.42663   
 H12175   H    2.19907    -0.23273   0.40396   
 H12176   H    2.19013    -0.22334   0.35978   
 O12177   O    2.19999    -0.22205   0.38348   
 O12178   O    2.20078    -0.25082   0.43253   
 C12179   C    1.82298    -0.42705   0.49128   
 C12180   C    1.81757    -0.41545   0.52662   
 C12181   C    1.82611    -0.39904   0.52778   
 C12182   C    1.83961    -0.39426   0.49402   
 C12183   C    1.84511    -0.40579   0.45830   
 C12184   C    1.83659    -0.42231   0.45781   
 C12185   C    1.82324    -0.30470   0.29164   
 C12186   C    1.81757    -0.29892   0.33614   
 C12187   C    1.82680    -0.30577   0.37574   
 C12188   C    1.84093    -0.31841   0.37105   
 C12189   C    1.84643    -0.32457   0.32656   
 C12190   C    1.83749    -0.31725   0.28699   
 C12191   C    1.80220    -0.42030   0.56066   
 C12192   C    1.80164    -0.28603   0.34032   
 C12193   C    1.91774    -0.33118   0.17610   
 C12194   C    1.93716    -0.33237   0.18978   
 C12195   C    1.94151    -0.33771   0.23553   
 C12196   C    1.92679    -0.34211   0.26648   
 C12197   C    1.90728    -0.34138   0.25268   
 C12198   C    1.90306    -0.33556   0.20713   
 C12199   C    1.91823    -0.45213   0.37293   
 C12200   C    1.93754    -0.44694   0.37747   
 C12201   C    1.94166    -0.42947   0.38580   
 C12202   C    1.92682    -0.41740   0.38840   
 C12203   C    1.90740    -0.42244   0.38295   
 C12204   C    1.90340    -0.44007   0.37583   
 C12205   C    1.95327    -0.45998   0.37321   
 C12206   C    1.95296    -0.32835   0.15618   
 C12207   C    1.86120    -0.33670   0.32268   
 C12208   C    1.86219    -0.35250   0.34967   
 C12209   C    1.84693    -0.35803   0.37676   
 C12210   C    1.87634    -0.33412   0.28978   
 C12211   C    1.87769    -0.36424   0.34573   
 C12212   C    1.89264    -0.41022   0.39144   
 C12213   C    1.89250    -0.39374   0.36751   
 C12214   C    1.90566    -0.38989   0.33287   
 C12215   C    1.87630    -0.41377   0.41998   
 C12216   C    1.87768    -0.38147   0.37389   
 C12217   C    1.86116    -0.40184   0.42916   
 C12218   C    1.86217    -0.38566   0.40387   
 C12219   C    1.84692    -0.37424   0.40327   
 C12220   C    1.89268    -0.34509   0.28496   
 C12221   C    1.89252    -0.36059   0.31331   
 C12222   C    1.90567    -0.37368   0.30637   
 H12223   H    1.81625    -0.43969   0.49042   
 H12224   H    1.82173    -0.39003   0.55495   
 H12225   H    1.84594    -0.38142   0.49528   
 H12226   H    1.84059    -0.43147   0.43068   
 H12227   H    1.81617    -0.29928   0.26111   
 H12228   H    1.82238    -0.30130   0.41022   
 H12229   H    1.84771    -0.32371   0.40224   
 H12230   H    1.84161    -0.32162   0.25218   
 H12231   H    1.91449    -0.32690   0.14074   
 H12232   H    1.95653    -0.33837   0.24620   
 H12233   H    1.93042    -0.34632   0.30173   
 H12234   H    1.88810    -0.33463   0.19583   
 H12235   H    1.91516    -0.46570   0.36682   
 H12236   H    1.95662    -0.42557   0.39015   
 H12237   H    1.93030    -0.40392   0.39464   
 H12238   H    1.88851    -0.44428   0.37198   
 H12239   H    1.87611    -0.32250   0.26964   
 H12240   H    1.91559    -0.39931   0.32150   
 H12241   H    1.83379    -0.35119   0.37653   
 H12242   H    1.87606    -0.42576   0.43845   
 H12243   H    1.91560    -0.37299   0.27847   
 H12244   H    1.83378    -0.37751   0.41956   
 O12245   O    1.79297    -0.28206   0.30260   
 O12246   O    1.79404    -0.43479   0.55435   
 O12247   O    1.79811    -0.40955   0.59282   
 O12248   O    1.79759    -0.28026   0.38073   
 O12249   O    1.97023    -0.33007   0.17048   
 O12250   O    1.94790    -0.32350   0.11555   
 O12251   O    1.94805    -0.47557   0.36778   
 O12252   O    1.97061    -0.45466   0.37535   
 C12253   C    2.17685    -0.42689   0.49115   
 C12254   C    2.18254    -0.41512   0.52586   
 C12255   C    2.17339    -0.39898   0.52793   
 C12256   C    2.15928    -0.39454   0.49541   
 C12257   C    2.15376    -0.40615   0.45981   
 C12258   C    2.16267    -0.42247   0.45882   
 C12259   C    2.17672    -0.30463   0.29092   
 C12260   C    2.18216    -0.29858   0.33532   
 C12261   C    2.17349    -0.30585   0.37511   
 C12262   C    2.15997    -0.31906   0.37060   
 C12263   C    2.15453    -0.32532   0.32624   
 C12264   C    2.16310    -0.31774   0.28649   
 C12265   C    2.19838    -0.41985   0.55889   
 C12266   C    2.19761    -0.28528   0.33971   
 C12267   C    2.08190    -0.33011   0.17764   
 C12268   C    2.06255    -0.33096   0.19205   
 C12269   C    2.05841    -0.33648   0.23774   
 C12270   C    2.07319    -0.34145   0.26788   
 C12271   C    2.09264    -0.34098   0.25340   
 C12272   C    2.09667    -0.33498   0.20793   
 C12273   C    2.08205    -0.45238   0.37782   
 C12274   C    2.06273    -0.44733   0.38337   
 C12275   C    2.05851    -0.42977   0.38984   
 C12276   C    2.07325    -0.41753   0.38996   
 C12277   C    2.09269    -0.42245   0.38405   
 C12278   C    2.09676    -0.44014   0.37833   
 C12279   C    2.04692    -0.32638   0.15833   
 C12280   C    2.04700    -0.46043   0.37988   
 C12281   C    2.10737    -0.34509   0.28496   
 C12282   C    2.10750    -0.36059   0.31328   
 C12283   C    2.09437    -0.37368   0.30636   
 C12284   C    2.12370    -0.33413   0.28977   
 C12285   C    2.12232    -0.36423   0.34574   
 C12286   C    2.13878    -0.40184   0.42916   
 C12287   C    2.13781    -0.38566   0.40385   
 C12288   C    2.15304    -0.37424   0.40325   
 C12289   C    2.12367    -0.41377   0.41999   
 C12290   C    2.12230    -0.38147   0.37389   
 C12291   C    2.10733    -0.41022   0.39144   
 C12292   C    2.10749    -0.39375   0.36748   
 C12293   C    2.09436    -0.38990   0.33286   
 C12294   C    2.13882    -0.33670   0.32268   
 C12295   C    2.13783    -0.35251   0.34965   
 C12296   C    2.15305    -0.35803   0.37675   
 H12297   H    2.18390    -0.43941   0.48980   
 H12298   H    2.17785    -0.38987   0.55484   
 H12299   H    2.15255    -0.38188   0.49733   
 H12300   H    2.15853    -0.43174   0.43204   
 H12301   H    2.18350    -0.29900   0.26026   
 H12302   H    2.17784    -0.30124   0.40947   
 H12303   H    2.15360    -0.32464   0.40193   
 H12304   H    2.15912    -0.32228   0.25179   
 H12305   H    2.08505    -0.32575   0.14233   
 H12306   H    2.04342    -0.33715   0.24879   
 H12307   H    2.06963    -0.34589   0.30293   
 H12308   H    2.11158    -0.33432   0.19600   
 H12309   H    2.08522    -0.46597   0.37270   
 H12310   H    2.04355    -0.42588   0.39374   
 H12311   H    2.06966    -0.40398   0.39450   
 H12312   H    2.11165    -0.44431   0.37389   
 H12313   H    2.16618    -0.37751   0.41955   
 H12314   H    2.12393    -0.32250   0.26964   
 H12315   H    2.12388    -0.42577   0.43845   
 H12316   H    2.08445    -0.37299   0.27848   
 H12317   H    2.16619    -0.35119   0.37652   
 H12318   H    2.08444    -0.39931   0.32151   
 O12319   O    2.20587    -0.28061   0.30205   
 O12320   O    2.20239    -0.40938   0.59167   
 O12321   O    2.20700    -0.43404   0.55091   
 O12322   O    2.20172    -0.27986   0.38052   
 O12323   O    2.05206    -0.47573   0.36970   
 O12324   O    2.02965    -0.32625   0.17321   
 O12325   O    2.05214    -0.32327   0.11651   
 O12326   O    2.02976    -0.45534   0.38633   
 H12327   H    1.76464    -0.41280   0.54810   
 O12328   O    1.76077    -0.41822   0.57700   
 H12329   H    1.80984    -0.25935   0.41878   
 H12330   H    1.80089    -0.24054   0.41691   
 H12331   H    1.81037    -0.22136   0.36728   
 O12332   O    1.79918    -0.22278   0.38692   
 O12333   O    1.79999    -0.25221   0.43288   
 H12334   H    1.70025    -0.47057   0.59446   
 H12335   H    1.69933    -0.44314   0.58199   
 H12336   H    1.70368    -0.43498   0.53231   
 O12337   O    1.70073    -0.43185   0.56425   
 O12338   O    1.70050    -0.46046   0.61402   
 H12339   H    1.76350    -0.29319   0.35061   
 O12340   O    1.75930    -0.28132   0.35067   
 H12341   H    2.23643    -0.41313   0.54662   
 O12342   O    2.24061    -0.41864   0.57513   
 H12343   H    2.23529    -0.29288   0.35199   
 O12344   O    2.23916    -0.28092   0.35249   
 Zr12345  Zr   1.77367    -0.40837   0.64655   
 Zr12346  Zr   1.72667    -0.27538   0.35203   
 Zr12347  Zr   2.27326    -0.42092   0.59009   
 Zr12348  Zr   2.22623    -0.26283   0.40848   
 Zr12349  Zr   2.00045    -0.46852   0.37567   
 Zr12350  Zr   2.03629    -0.49993   0.35006   
 O12351   O    1.73916    -0.44388   0.59934   
 O12352   O    2.22381    -0.43406   0.64351   
 C12353   C    1.75861    -0.62738   0.71385   
 C12354   C    1.74494    -0.61773   0.73898   
 C12355   C    1.73166    -0.60757   0.71415   
 C12356   C    1.73233    -0.60672   0.66550   
 C12357   C    1.74627    -0.61608   0.64001   
 C12358   C    1.75919    -0.62658   0.66519   
 C12359   C    1.75868    -0.50517   0.51337   
 C12360   C    1.74479    -0.50136   0.54765   
 C12361   C    1.73193    -0.51437   0.56163   
 C12362   C    1.73313    -0.53086   0.54241   
 C12363   C    1.74713    -0.53485   0.50827   
 C12364   C    1.75976    -0.52161   0.49396   
 C12365   C    1.74513    -0.61819   0.79122   
 C12366   C    1.74454    -0.48402   0.57024   
 C12367   C    1.75996    -0.67761   0.48469   
 C12368   C    1.74667    -0.68131   0.44899   
 C12369   C    1.73318    -0.66866   0.43608   
 C12370   C    1.73327    -0.65257   0.45774   
 C12371   C    1.74686    -0.64858   0.49279   
 C12372   C    1.75998    -0.66152   0.50630   
 C12373   C    1.76003    -0.55709   0.28590   
 C12374   C    1.74639    -0.56682   0.26094   
 C12375   C    1.73304    -0.57691   0.28579   
 C12376   C    1.73362    -0.57759   0.33445   
 C12377   C    1.74752    -0.56812   0.35978   
 C12378   C    1.76050    -0.55768   0.33458   
 C12379   C    1.74637    -0.56633   0.20874   
 C12380   C    1.74704    -0.69826   0.42444   
 C12381   C    1.74614    -0.56749   0.40905   
 C12382   C    1.74529    -0.58318   0.43657   
 C12383   C    1.74738    -0.59922   0.41637   
 C12384   C    1.74733    -0.55186   0.43490   
 C12385   C    1.74458    -0.58306   0.48593   
 C12386   C    1.74608    -0.61586   0.59098   
 C12387   C    1.74524    -0.60017   0.56348   
 C12388   C    1.74733    -0.58413   0.58366   
 C12389   C    1.74731    -0.63150   0.56512   
 C12390   C    1.74457    -0.60029   0.51409   
 C12391   C    1.74611    -0.63263   0.51553   
 C12392   C    1.74527    -0.61633   0.49077   
 C12393   C    1.74737    -0.61543   0.44287   
 C12394   C    1.74611    -0.55072   0.48449   
 C12395   C    1.74526    -0.56701   0.50928   
 C12396   C    1.74733    -0.56792   0.55716   
 H12397   H    1.76880    -0.63529   0.73316   
 H12398   H    1.72111    -0.60010   0.73372   
 H12399   H    1.72207    -0.59859   0.64704   
 H12400   H    1.76995    -0.63409   0.64635   
 H12401   H    1.76864    -0.49507   0.50279   
 H12402   H    1.72128    -0.51144   0.58843   
 H12403   H    1.72317    -0.54080   0.55412   
 H12404   H    1.77066    -0.52431   0.46752   
 H12405   H    1.77027    -0.68752   0.49472   
 H12406   H    1.72274    -0.67166   0.40895   
 H12407   H    1.72277    -0.64288   0.44714   
 H12408   H    1.77047    -0.65885   0.53377   
 H12409   H    1.77022    -0.54921   0.26643   
 H12410   H    1.72228    -0.58417   0.26632   
 H12411   H    1.72323    -0.58554   0.35307   
 H12412   H    1.77123    -0.55014   0.35338   
 H12413   H    1.75054    -0.58303   0.61957   
 H12414   H    1.74780    -0.54004   0.41560   
 H12415   H    1.74775    -0.64331   0.58442   
 H12416   H    1.75062    -0.60032   0.38045   
 H12417   H    1.75055    -0.55671   0.57655   
 H12418   H    1.75061    -0.62664   0.42347   
 O12419   O    1.75784    -0.47360   0.55843   
 O12420   O    1.73187    -0.61020   0.81288   
 O12421   O    1.75898    -0.62639   0.81018   
 O12422   O    1.73140    -0.48100   0.60023   
 O12423   O    1.73491    -0.70064   0.39169   
 O12424   O    1.75957    -0.70908   0.43823   
 O12425   O    1.75843    -0.55621   0.18958   
 O12426   O    1.73439    -0.57594   0.18735   
 C12427   C    2.23996    -0.67751   0.48268   
 C12428   C    2.25361    -0.68115   0.44779   
 C12429   C    2.26696    -0.66835   0.43518   
 C12430   C    2.26639    -0.65214   0.45622   
 C12431   C    2.25251    -0.64826   0.49073   
 C12432   C    2.23948    -0.66135   0.50395   
 C12433   C    2.24015    -0.55642   0.28673   
 C12434   C    2.25339    -0.56641   0.26127   
 C12435   C    2.26689    -0.57649   0.28558   
 C12436   C    2.26684    -0.57690   0.33428   
 C12437   C    2.25328    -0.56728   0.36016   
 C12438   C    2.24014    -0.55685   0.33543   
 C12439   C    2.25299    -0.56656   0.20916   
 C12440   C    2.25366    -0.69843   0.42473   
 C12441   C    2.24099    -0.62752   0.71400   
 C12442   C    2.25488    -0.61819   0.73915   
 C12443   C    2.26772    -0.60748   0.71472   
 C12444   C    2.26653    -0.60598   0.66618   
 C12445   C    2.25259    -0.61526   0.64057   
 C12446   C    2.23992    -0.62613   0.66548   
 C12447   C    2.24127    -0.50529   0.51386   
 C12448   C    2.25492    -0.50164   0.54878   
 C12449   C    2.26822    -0.51449   0.56138   
 C12450   C    2.26752    -0.53072   0.54052   
 C12451   C    2.25360    -0.53464   0.50615   
 C12452   C    2.24067    -0.52149   0.49279   
 C12453   C    2.25520    -0.61903   0.79125   
 C12454   C    2.25469    -0.48444   0.57235   
 C12455   C    2.25380    -0.55072   0.48449   
 C12456   C    2.25464    -0.56702   0.50926   
 C12457   C    2.25254    -0.56792   0.55715   
 C12458   C    2.25261    -0.55185   0.43492   
 C12459   C    2.25534    -0.58306   0.48593   
 C12460   C    2.25380    -0.63263   0.51553   
 C12461   C    2.25465    -0.61634   0.49074   
 C12462   C    2.25257    -0.61544   0.44286   
 C12463   C    2.25256    -0.63150   0.56510   
 C12464   C    2.25533    -0.60029   0.51410   
 C12465   C    2.25377    -0.61586   0.59097   
 C12466   C    2.25462    -0.60017   0.56346   
 C12467   C    2.25253    -0.58413   0.58366   
 C12468   C    2.25383    -0.56750   0.40905   
 C12469   C    2.25466    -0.58319   0.43654   
 C12470   C    2.25258    -0.59922   0.41636   
 H12471   H    2.22977    -0.68754   0.49252   
 H12472   H    2.27773    -0.67130   0.40870   
 H12473   H    2.27679    -0.64235   0.44584   
 H12474   H    2.22876    -0.65876   0.53082   
 H12475   H    2.22985    -0.54855   0.26761   
 H12476   H    2.27729    -0.58399   0.26571   
 H12477   H    2.27734    -0.58485   0.35256   
 H12478   H    2.22969    -0.54912   0.35458   
 H12479   H    2.23103    -0.63573   0.73312   
 H12480   H    2.27836    -0.60013   0.73437   
 H12481   H    2.27651    -0.59749   0.64789   
 H12482   H    2.22904    -0.63346   0.64660   
 H12483   H    2.23110    -0.49527   0.50399   
 H12484   H    2.27880    -0.51167   0.58846   
 H12485   H    2.27780    -0.54057   0.55129   
 H12486   H    2.22991    -0.52408   0.46597   
 H12487   H    2.25215    -0.54004   0.41561   
 H12488   H    2.24935    -0.62664   0.42348   
 H12489   H    2.24930    -0.55671   0.57655   
 H12490   H    2.25210    -0.64331   0.58442   
 H12491   H    2.24937    -0.60032   0.38045   
 H12492   H    2.24929    -0.58303   0.61958   
 O12493   O    2.26568    -0.70097   0.39182   
 O12494   O    2.24160    -0.70943   0.44009   
 O12495   O    2.24048    -0.55702   0.18961   
 O12496   O    2.26511    -0.57615   0.18820   
 O12497   O    2.24081    -0.47445   0.56169   
 O12498   O    2.24193    -0.62781   0.81063   
 O12499   O    2.26837    -0.61070   0.81251   
 O12500   O    2.26790    -0.48111   0.60178   
 H12501   H    2.20015    -0.74770   0.35749   
 O12502   O    2.21396    -0.74830   0.35391   
 H12503   H    1.72848    -0.72867   0.44307   
 O12504   O    1.73400    -0.73443   0.41632   
 H12505   H    2.29613    -0.47098   0.59131   
 H12506   H    2.30049    -0.45094   0.59497   
 H12507   H    2.29964    -0.43406   0.53500   
 O12508   O    2.29935    -0.43242   0.56843   
 O12509   O    2.29909    -0.46201   0.61371   
 H12510   H    1.97166    -0.48146   0.43649   
 O12511   O    1.97996    -0.48676   0.41354   
 H12512   H    2.02820    -0.53199   0.40049   
 O12513   O    2.02014    -0.52339   0.38587   
 H12514   H    2.01355    -0.69358   0.49320   
 H12515   H    2.00024    -0.70646   0.52176   
 H12516   H    2.01056    -0.73092   0.54766   
 O12517   O    1.99966    -0.72361   0.55448   
 O12518   O    2.00074    -0.69467   0.50627   
 H12519   H    2.01072    -0.45241   0.45223   
 H12520   H    2.00034    -0.47683   0.47822   
 H12521   H    2.01362    -0.48969   0.50677   
 O12522   O    2.00080    -0.48861   0.49372   
 O12523   O    1.99980    -0.45968   0.44542   
 H12524   H    1.99968    -0.63607   0.58692   
 H12525   H    1.98918    -0.64569   0.52100   
 H12526   H    1.98651    -0.62546   0.62188   
 O12527   O    2.00017    -0.64819   0.54051   
 O12528   O    1.99929    -0.63033   0.61884   
 H12529   H    1.97154    -0.70189   0.56352   
 O12530   O    1.97984    -0.69658   0.58640   
 H12531   H    2.02814    -0.65128   0.59942   
 O12532   O    2.02007    -0.65988   0.61404   
 H12533   H    1.98658    -0.55785   0.37809   
 H12534   H    1.98926    -0.53760   0.47895   
 H12535   H    1.99976    -0.54723   0.41305   
 O12536   O    1.99937    -0.55298   0.38116   
 O12537   O    2.00026    -0.53510   0.45946   
 Zr12538  Zr   1.76807    -0.44793   0.58473   
 Zr12539  Zr   2.23176    -0.44794   0.58469   
 Zr12540  Zr   1.96384    -0.50000   0.35013   
 Zr12541  Zr   1.99954    -0.67392   0.56467   
 Zr12542  Zr   1.99961    -0.50939   0.43528   
 O12543   O    1.77600    -0.43516   0.64542   
 O12544   O    2.24296    -0.72729   0.35172   
 O12545   O    2.26069    -0.44499   0.60121   
 O12546   O    1.75833    -0.72763   0.35019   
 O12547   O    2.01523    -0.69258   0.60470   
 O12548   O    1.98456    -0.66661   0.62456   
 O12549   O    1.98463    -0.51674   0.37541   
 O12550   O    2.01534    -0.49069   0.39520   
 C12551   C    2.17754    -0.87761   0.70953   
 C12552   C    2.18368    -0.88322   0.66524   
 C12553   C    2.17455    -0.87661   0.62522   
 C12554   C    2.15992    -0.86439   0.62943   
 C12555   C    2.15401    -0.85835   0.67368   
 C12556   C    2.16291    -0.86542   0.71363   
 C12557   C    2.17816    -0.75695   0.51140   
 C12558   C    2.18383    -0.76880   0.47691   
 C12559   C    2.17461    -0.78491   0.47468   
 C12560   C    2.16035    -0.78922   0.50699   
 C12561   C    2.15482    -0.77754   0.54230   
 C12562   C    2.16380    -0.76124   0.54345   
 C12563   C    2.19953    -0.76412   0.44354   
 C12564   C    2.19984    -0.89575   0.66056   
 C12565   C    2.08181    -0.73094   0.62282   
 C12566   C    2.06249    -0.73595   0.61713   
 C12567   C    2.05819    -0.75349   0.61084   
 C12568   C    2.07288    -0.76578   0.61087   
 C12569   C    2.09232    -0.76089   0.61672   
 C12570   C    2.09648    -0.74321   0.62242   
 C12571   C    2.08173    -0.85334   0.82223   
 C12572   C    2.06240    -0.85245   0.80772   
 C12573   C    2.05834    -0.84698   0.76191   
 C12574   C    2.07318    -0.84206   0.73191   
 C12575   C    2.09260    -0.84253   0.74651   
 C12576   C    2.09658    -0.84853   0.79205   
 C12577   C    2.04682    -0.72283   0.62023   
 C12578   C    2.04669    -0.85691   0.84141   
 C12579   C    2.13874    -0.78152   0.57086   
 C12580   C    2.13774    -0.79770   0.59615   
 C12581   C    2.15299    -0.80911   0.59676   
 C12582   C    2.12361    -0.76958   0.58004   
 C12583   C    2.12223    -0.80189   0.62613   
 C12584   C    2.10723    -0.83826   0.71506   
 C12585   C    2.10739    -0.82276   0.68671   
 C12586   C    2.09424    -0.80967   0.69365   
 C12587   C    2.12357    -0.84923   0.71024   
 C12588   C    2.12222    -0.81912   0.65430   
 C12589   C    2.13871    -0.84665   0.67734   
 C12590   C    2.13772    -0.83085   0.65035   
 C12591   C    2.15298    -0.82532   0.62326   
 C12592   C    2.10726    -0.77313   0.60858   
 C12593   C    2.10740    -0.78961   0.63251   
 C12594   C    2.09425    -0.79346   0.66715   
 H12595   H    2.18458    -0.88290   0.74036   
 H12596   H    2.17913    -0.88117   0.59107   
 H12597   H    2.15306    -0.85933   0.59803   
 H12598   H    2.15842    -0.86117   0.74823   
 H12599   H    2.18527    -0.74446   0.51265   
 H12600   H    2.17880    -0.79391   0.44739   
 H12601   H    2.15343    -0.80179   0.50485   
 H12602   H    2.15964    -0.75195   0.57009   
 H12603   H    2.08502    -0.71735   0.62791   
 H12604   H    2.04320    -0.75734   0.60691   
 H12605   H    2.06925    -0.77934   0.60637   
 H12606   H    2.11135    -0.73907   0.62694   
 H12607   H    2.08481    -0.85769   0.85758   
 H12608   H    2.04336    -0.84628   0.75067   
 H12609   H    2.06970    -0.83763   0.69678   
 H12610   H    2.11144    -0.84923   0.80410   
 H12611   H    2.12385    -0.75759   0.56157   
 H12612   H    2.08431    -0.81036   0.72155   
 H12613   H    2.16613    -0.80584   0.58047   
 H12614   H    2.12380    -0.86085   0.73038   
 H12615   H    2.08432    -0.78404   0.67852   
 H12616   H    2.16612    -0.83216   0.62349   
 O12617   O    2.20498    -0.90000   0.61941   
 O12618   O    2.20729    -0.90125   0.69831   
 O12619   O    2.20639    -0.74897   0.44700   
 O12620   O    2.20490    -0.77550   0.41422   
 O12621   O    2.05189    -0.85997   0.88328   
 O12622   O    2.05191    -0.70752   0.63024   
 O12623   O    2.02957    -0.72789   0.61366   
 O12624   O    2.02943    -0.85701   0.82655   
 C12625   C    1.82168    -0.87730   0.70848   
 C12626   C    1.81601    -0.88308   0.66399   
 C12627   C    1.82522    -0.87628   0.62436   
 C12628   C    1.83949    -0.86372   0.62899   
 C12629   C    1.84505    -0.85762   0.67349   
 C12630   C    1.83603    -0.86484   0.71313   
 C12631   C    1.82241    -0.75643   0.51156   
 C12632   C    1.81625    -0.76831   0.47761   
 C12633   C    1.82539    -0.78443   0.47474   
 C12634   C    1.84006    -0.78874   0.50591   
 C12635   C    1.84600    -0.77708   0.54096   
 C12636   C    1.83709    -0.76077   0.54266   
 C12637   C    1.80006    -0.76403   0.44540   
 C12638   C    1.80034    -0.89619   0.65967   
 C12639   C    1.91809    -0.73138   0.62736   
 C12640   C    1.93741    -0.73651   0.62278   
 C12641   C    1.94154    -0.75397   0.61446   
 C12642   C    1.92671    -0.76608   0.61186   
 C12643   C    1.90727    -0.76108   0.61726   
 C12644   C    1.90327    -0.74346   0.62443   
 C12645   C    1.91749    -0.85234   0.82385   
 C12646   C    1.93689    -0.85106   0.81018   
 C12647   C    1.94128    -0.84574   0.76446   
 C12648   C    1.92657    -0.84140   0.73345   
 C12649   C    1.90705    -0.84221   0.74717   
 C12650   C    1.90281    -0.84802   0.79271   
 C12651   C    1.95270    -0.85502   0.84384   
 C12652   C    1.95314    -0.72344   0.62693   
 C12653   C    1.89257    -0.77313   0.60858   
 C12654   C    1.89242    -0.78960   0.63254   
 C12655   C    1.90555    -0.79346   0.66716   
 C12656   C    1.87625    -0.76958   0.58005   
 C12657   C    1.87760    -0.80189   0.62612   
 C12658   C    1.86109    -0.84665   0.67734   
 C12659   C    1.86208    -0.83085   0.65037   
 C12660   C    1.84686    -0.82532   0.62328   
 C12661   C    1.87620    -0.84923   0.71023   
 C12662   C    1.87760    -0.81912   0.65430   
 C12663   C    1.89254    -0.83826   0.71506   
 C12664   C    1.89241    -0.82276   0.68674   
 C12665   C    1.90554    -0.80967   0.69366   
 C12666   C    1.86112    -0.78152   0.57086   
 C12667   C    1.86210    -0.79769   0.59617   
 C12668   C    1.84687    -0.80911   0.59678   
 H12669   H    1.81458    -0.88272   0.73902   
 H12670   H    1.82103    -0.88099   0.58998   
 H12671   H    1.84640    -0.85855   0.59785   
 H12672   H    1.84019    -0.86049   0.74789   
 H12673   H    1.81536    -0.74394   0.51325   
 H12674   H    1.82076    -0.79347   0.44795   
 H12675   H    1.84691    -0.80131   0.50340   
 H12676   H    1.84159    -0.75145   0.56897   
 H12677   H    1.91500    -0.71781   0.63345   
 H12678   H    1.95650    -0.75788   0.61010   
 H12679   H    1.93019    -0.77956   0.60561   
 H12680   H    1.88839    -0.73923   0.62826   
 H12681   H    1.91424    -0.85661   0.85917   
 H12682   H    1.95631    -0.84502   0.75386   
 H12683   H    1.93021    -0.83721   0.69823   
 H12684   H    1.88785    -0.84898   0.80400   
 H12685   H    1.87603    -0.75759   0.56157   
 H12686   H    1.83372    -0.83216   0.62350   
 H12687   H    1.91547    -0.78404   0.67852   
 H12688   H    1.87598    -0.86085   0.73039   
 H12689   H    1.83373    -0.80584   0.58048   
 H12690   H    1.91546    -0.81036   0.72154   
 O12691   O    1.79502    -0.90051   0.61874   
 O12692   O    1.79351    -0.90216   0.69764   
 O12693   O    1.79258    -0.74916   0.44983   
 O12694   O    1.79489    -0.77548   0.41607   
 O12695   O    1.97048    -0.72871   0.62469   
 O12696   O    1.94790    -0.70783   0.63227   
 O12697   O    1.94762    -0.85987   0.88445   
 O12698   O    1.96997    -0.85326   0.82958   
 H12699   H    2.24548    -0.79601   0.41881   
 H12700   H    2.26518    -0.78885   0.47368   
 H12701   H    2.22289    -0.79709   0.42669   
 O12702   O    2.26597    -0.78949   0.44005   
 O12703   O    2.23265    -0.79824   0.40269   
 H12704   H    2.27148    -0.72963   0.44473   
 O12705   O    2.26597    -0.73569   0.41850   
 H12706   H    2.26360    -0.87557   0.62159   
 H12707   H    2.22398    -0.88598   0.56503   
 H12708   H    2.25420    -0.88720   0.58212   
 O12709   O    2.26663    -0.88466   0.59958   
 O12710   O    2.23419    -0.89413   0.55908   
 H12711   H    1.74572    -0.79367   0.42933   
 H12712   H    1.77594    -0.79982   0.42432   
 H12713   H    1.73629    -0.78622   0.47557   
 O12714   O    1.76573    -0.79795   0.40201   
 O12715   O    1.73327    -0.78916   0.44351   
 H12716   H    1.79985    -0.74864   0.35923   
 O12717   O    1.78605    -0.74956   0.35614   
 H12718   H    1.77700    -0.88644   0.57273   
 H12719   H    1.73469    -0.87500   0.61442   
 H12720   H    1.75442    -0.88953   0.57163   
 O12721   O    1.76723    -0.89373   0.55880   
 O12722   O    1.73390    -0.88566   0.59719   
 Zr12723  Zr   2.23191    -0.73555   0.41514   
 Zr12724  Zr   2.27114    -0.76496   0.41047   
 Zr12725  Zr   2.22839    -0.91813   0.59098   
 Zr12726  Zr   1.76807    -0.73554   0.41518   
 Zr12727  Zr   1.77153    -0.77634   0.35929   
 Zr12728  Zr   1.72875    -0.90675   0.64218   
 Zr12729  Zr   2.00032    -0.71477   0.62426   
 O12730   O    2.24168    -0.76044   0.40381   
 O12731   O    1.75704    -0.76010   0.40535   
 H12732   H    1.68962    0.24211    0.42663   
 H12733   H    1.69907    0.26727    0.40396   
 H12734   H    1.69013    0.27666    0.35978   
 O12735   O    1.69999    0.27795    0.38348   
 O12736   O    1.70078    0.24918    0.43253   
 C12737   C    1.32298    0.07295    0.49128   
 C12738   C    1.31757    0.08455    0.52662   
 C12739   C    1.32611    0.10096    0.52778   
 C12740   C    1.33961    0.10574    0.49402   
 C12741   C    1.34511    0.09421    0.45830   
 C12742   C    1.33659    0.07769    0.45781   
 C12743   C    1.32324    0.19530    0.29164   
 C12744   C    1.31757    0.20108    0.33614   
 C12745   C    1.32680    0.19423    0.37574   
 C12746   C    1.34093    0.18159    0.37105   
 C12747   C    1.34643    0.17543    0.32656   
 C12748   C    1.33749    0.18275    0.28699   
 C12749   C    1.30220    0.07970    0.56066   
 C12750   C    1.30164    0.21397    0.34032   
 C12751   C    1.41774    0.16882    0.17610   
 C12752   C    1.43716    0.16763    0.18978   
 C12753   C    1.44151    0.16229    0.23553   
 C12754   C    1.42679    0.15789    0.26648   
 C12755   C    1.40728    0.15862    0.25268   
 C12756   C    1.40306    0.16444    0.20713   
 C12757   C    1.41823    0.04787    0.37293   
 C12758   C    1.43754    0.05306    0.37747   
 C12759   C    1.44166    0.07053    0.38580   
 C12760   C    1.42682    0.08260    0.38840   
 C12761   C    1.40740    0.07756    0.38295   
 C12762   C    1.40340    0.05993    0.37583   
 C12763   C    1.45327    0.04002    0.37321   
 C12764   C    1.45296    0.17165    0.15618   
 C12765   C    1.36120    0.16330    0.32268   
 C12766   C    1.36219    0.14750    0.34967   
 C12767   C    1.34693    0.14197    0.37676   
 C12768   C    1.37634    0.16588    0.28978   
 C12769   C    1.37769    0.13576    0.34573   
 C12770   C    1.39264    0.08978    0.39144   
 C12771   C    1.39250    0.10626    0.36751   
 C12772   C    1.40566    0.11011    0.33287   
 C12773   C    1.37630    0.08623    0.41998   
 C12774   C    1.37768    0.11853    0.37389   
 C12775   C    1.36116    0.09816    0.42916   
 C12776   C    1.36217    0.11434    0.40387   
 C12777   C    1.34692    0.12576    0.40327   
 C12778   C    1.39268    0.15491    0.28496   
 C12779   C    1.39252    0.13941    0.31331   
 C12780   C    1.40567    0.12632    0.30637   
 H12781   H    1.31625    0.06031    0.49042   
 H12782   H    1.32173    0.10997    0.55495   
 H12783   H    1.34594    0.11858    0.49528   
 H12784   H    1.34059    0.06853    0.43068   
 H12785   H    1.31617    0.20072    0.26111   
 H12786   H    1.32238    0.19870    0.41022   
 H12787   H    1.34771    0.17629    0.40224   
 H12788   H    1.34161    0.17838    0.25218   
 H12789   H    1.41449    0.17310    0.14074   
 H12790   H    1.45653    0.16163    0.24620   
 H12791   H    1.43042    0.15368    0.30173   
 H12792   H    1.38810    0.16537    0.19583   
 H12793   H    1.41516    0.03430    0.36682   
 H12794   H    1.45662    0.07443    0.39015   
 H12795   H    1.43030    0.09608    0.39464   
 H12796   H    1.38851    0.05572    0.37198   
 H12797   H    1.37611    0.17750    0.26964   
 H12798   H    1.41559    0.10069    0.32150   
 H12799   H    1.33379    0.14881    0.37653   
 H12800   H    1.37606    0.07424    0.43845   
 H12801   H    1.41560    0.12701    0.27847   
 H12802   H    1.33378    0.12249    0.41956   
 O12803   O    1.29297    0.21794    0.30260   
 O12804   O    1.29404    0.06521    0.55435   
 O12805   O    1.29811    0.09045    0.59282   
 O12806   O    1.29759    0.21974    0.38073   
 O12807   O    1.47023    0.16993    0.17048   
 O12808   O    1.44790    0.17650    0.11555   
 O12809   O    1.44805    0.02443    0.36778   
 O12810   O    1.47061    0.04534    0.37535   
 C12811   C    1.67685    0.07311    0.49115   
 C12812   C    1.68254    0.08488    0.52586   
 C12813   C    1.67339    0.10102    0.52793   
 C12814   C    1.65928    0.10546    0.49541   
 C12815   C    1.65376    0.09385    0.45981   
 C12816   C    1.66267    0.07753    0.45882   
 C12817   C    1.67672    0.19537    0.29092   
 C12818   C    1.68216    0.20142    0.33532   
 C12819   C    1.67349    0.19415    0.37511   
 C12820   C    1.65997    0.18094    0.37060   
 C12821   C    1.65453    0.17468    0.32624   
 C12822   C    1.66310    0.18226    0.28649   
 C12823   C    1.69838    0.08015    0.55889   
 C12824   C    1.69761    0.21472    0.33971   
 C12825   C    1.58190    0.16989    0.17764   
 C12826   C    1.56255    0.16904    0.19205   
 C12827   C    1.55841    0.16352    0.23774   
 C12828   C    1.57319    0.15855    0.26788   
 C12829   C    1.59264    0.15902    0.25340   
 C12830   C    1.59667    0.16502    0.20793   
 C12831   C    1.58205    0.04762    0.37782   
 C12832   C    1.56273    0.05267    0.38337   
 C12833   C    1.55851    0.07023    0.38984   
 C12834   C    1.57325    0.08247    0.38996   
 C12835   C    1.59269    0.07755    0.38405   
 C12836   C    1.59676    0.05986    0.37833   
 C12837   C    1.54692    0.17362    0.15833   
 C12838   C    1.54700    0.03957    0.37988   
 C12839   C    1.60737    0.15491    0.28496   
 C12840   C    1.60750    0.13941    0.31328   
 C12841   C    1.59437    0.12632    0.30636   
 C12842   C    1.62370    0.16587    0.28977   
 C12843   C    1.62232    0.13577    0.34574   
 C12844   C    1.63878    0.09816    0.42916   
 C12845   C    1.63781    0.11434    0.40385   
 C12846   C    1.65304    0.12576    0.40325   
 C12847   C    1.62367    0.08623    0.41999   
 C12848   C    1.62230    0.11853    0.37389   
 C12849   C    1.60733    0.08978    0.39144   
 C12850   C    1.60749    0.10625    0.36748   
 C12851   C    1.59436    0.11010    0.33286   
 C12852   C    1.63882    0.16330    0.32268   
 C12853   C    1.63783    0.14749    0.34965   
 C12854   C    1.65305    0.14197    0.37675   
 H12855   H    1.68390    0.06059    0.48980   
 H12856   H    1.67785    0.11013    0.55484   
 H12857   H    1.65255    0.11812    0.49733   
 H12858   H    1.65853    0.06826    0.43204   
 H12859   H    1.68350    0.20100    0.26026   
 H12860   H    1.67784    0.19876    0.40947   
 H12861   H    1.65360    0.17536    0.40193   
 H12862   H    1.65912    0.17772    0.25179   
 H12863   H    1.58505    0.17425    0.14233   
 H12864   H    1.54342    0.16285    0.24879   
 H12865   H    1.56963    0.15411    0.30293   
 H12866   H    1.61158    0.16568    0.19600   
 H12867   H    1.58522    0.03403    0.37270   
 H12868   H    1.54355    0.07412    0.39374   
 H12869   H    1.56966    0.09602    0.39450   
 H12870   H    1.61165    0.05569    0.37389   
 H12871   H    1.66618    0.12249    0.41955   
 H12872   H    1.62393    0.17750    0.26964   
 H12873   H    1.62388    0.07423    0.43845   
 H12874   H    1.58445    0.12701    0.27848   
 H12875   H    1.66619    0.14881    0.37652   
 H12876   H    1.58444    0.10069    0.32151   
 O12877   O    1.70587    0.21939    0.30205   
 O12878   O    1.70239    0.09062    0.59167   
 O12879   O    1.70700    0.06596    0.55091   
 O12880   O    1.70172    0.22014    0.38052   
 O12881   O    1.55206    0.02427    0.36970   
 O12882   O    1.52965    0.17375    0.17321   
 O12883   O    1.55214    0.17673    0.11651   
 O12884   O    1.52976    0.04466    0.38633   
 H12885   H    1.26464    0.08720    0.54810   
 O12886   O    1.26077    0.08178    0.57700   
 H12887   H    1.30984    0.24065    0.41878   
 H12888   H    1.30089    0.25946    0.41691   
 H12889   H    1.31037    0.27864    0.36728   
 O12890   O    1.29918    0.27722    0.38692   
 O12891   O    1.29999    0.24779    0.43288   
 H12892   H    1.20025    0.02943    0.59446   
 H12893   H    1.19933    0.05686    0.58199   
 H12894   H    1.20368    0.06502    0.53231   
 O12895   O    1.20073    0.06815    0.56425   
 O12896   O    1.20050    0.03954    0.61402   
 H12897   H    1.26350    0.20681    0.35061   
 O12898   O    1.25930    0.21868    0.35067   
 H12899   H    1.73643    0.08687    0.54662   
 O12900   O    1.74061    0.08136    0.57513   
 H12901   H    1.73529    0.20712    0.35199   
 O12902   O    1.73916    0.21908    0.35249   
 Zr12903  Zr   1.27367    0.09163    0.64655   
 Zr12904  Zr   1.22667    0.22462    0.35203   
 Zr12905  Zr   1.77326    0.07908    0.59009   
 Zr12906  Zr   1.72623    0.23717    0.40848   
 Zr12907  Zr   1.50045    0.03148    0.37567   
 Zr12908  Zr   1.53629    0.00007    0.35006   
 O12909   O    1.23916    0.05612    0.59934   
 O12910   O    1.72381    0.06594    0.64351   
 C12911   C    1.25861    -0.12738   0.71385   
 C12912   C    1.24494    -0.11773   0.73898   
 C12913   C    1.23166    -0.10757   0.71415   
 C12914   C    1.23233    -0.10672   0.66550   
 C12915   C    1.24627    -0.11608   0.64001   
 C12916   C    1.25919    -0.12658   0.66519   
 C12917   C    1.25868    -0.00517   0.51337   
 C12918   C    1.24479    -0.00136   0.54765   
 C12919   C    1.23193    -0.01437   0.56163   
 C12920   C    1.23313    -0.03086   0.54241   
 C12921   C    1.24713    -0.03485   0.50827   
 C12922   C    1.25976    -0.02161   0.49396   
 C12923   C    1.24513    -0.11819   0.79122   
 C12924   C    1.24454    0.01598    0.57024   
 C12925   C    1.25996    -0.17761   0.48469   
 C12926   C    1.24667    -0.18131   0.44899   
 C12927   C    1.23318    -0.16866   0.43608   
 C12928   C    1.23327    -0.15257   0.45774   
 C12929   C    1.24686    -0.14858   0.49279   
 C12930   C    1.25998    -0.16152   0.50630   
 C12931   C    1.26003    -0.05709   0.28590   
 C12932   C    1.24639    -0.06682   0.26094   
 C12933   C    1.23304    -0.07691   0.28579   
 C12934   C    1.23362    -0.07759   0.33445   
 C12935   C    1.24752    -0.06812   0.35978   
 C12936   C    1.26050    -0.05768   0.33458   
 C12937   C    1.24637    -0.06633   0.20874   
 C12938   C    1.24704    -0.19826   0.42444   
 C12939   C    1.24614    -0.06749   0.40905   
 C12940   C    1.24529    -0.08318   0.43657   
 C12941   C    1.24738    -0.09922   0.41637   
 C12942   C    1.24733    -0.05186   0.43490   
 C12943   C    1.24458    -0.08306   0.48593   
 C12944   C    1.24608    -0.11586   0.59098   
 C12945   C    1.24524    -0.10017   0.56348   
 C12946   C    1.24733    -0.08413   0.58366   
 C12947   C    1.24731    -0.13150   0.56512   
 C12948   C    1.24457    -0.10029   0.51409   
 C12949   C    1.24611    -0.13263   0.51553   
 C12950   C    1.24527    -0.11633   0.49077   
 C12951   C    1.24737    -0.11543   0.44287   
 C12952   C    1.24611    -0.05072   0.48449   
 C12953   C    1.24526    -0.06701   0.50928   
 C12954   C    1.24733    -0.06792   0.55716   
 H12955   H    1.26880    -0.13529   0.73316   
 H12956   H    1.22111    -0.10010   0.73372   
 H12957   H    1.22207    -0.09859   0.64704   
 H12958   H    1.26995    -0.13409   0.64635   
 H12959   H    1.26864    0.00493    0.50279   
 H12960   H    1.22128    -0.01144   0.58843   
 H12961   H    1.22317    -0.04080   0.55412   
 H12962   H    1.27066    -0.02431   0.46752   
 H12963   H    1.27027    -0.18752   0.49472   
 H12964   H    1.22274    -0.17166   0.40895   
 H12965   H    1.22277    -0.14288   0.44714   
 H12966   H    1.27047    -0.15885   0.53377   
 H12967   H    1.27022    -0.04921   0.26643   
 H12968   H    1.22228    -0.08417   0.26632   
 H12969   H    1.22323    -0.08554   0.35307   
 H12970   H    1.27123    -0.05014   0.35338   
 H12971   H    1.25054    -0.08303   0.61957   
 H12972   H    1.24780    -0.04004   0.41560   
 H12973   H    1.24775    -0.14331   0.58442   
 H12974   H    1.25062    -0.10032   0.38045   
 H12975   H    1.25055    -0.05671   0.57655   
 H12976   H    1.25061    -0.12664   0.42347   
 O12977   O    1.25784    0.02640    0.55843   
 O12978   O    1.23187    -0.11020   0.81288   
 O12979   O    1.25898    -0.12639   0.81018   
 O12980   O    1.23140    0.01900    0.60023   
 O12981   O    1.23491    -0.20064   0.39169   
 O12982   O    1.25957    -0.20908   0.43823   
 O12983   O    1.25843    -0.05621   0.18958   
 O12984   O    1.23439    -0.07594   0.18735   
 C12985   C    1.73996    -0.17751   0.48268   
 C12986   C    1.75361    -0.18115   0.44779   
 C12987   C    1.76696    -0.16835   0.43518   
 C12988   C    1.76639    -0.15214   0.45622   
 C12989   C    1.75251    -0.14826   0.49073   
 C12990   C    1.73948    -0.16135   0.50395   
 C12991   C    1.74015    -0.05642   0.28673   
 C12992   C    1.75339    -0.06641   0.26127   
 C12993   C    1.76689    -0.07649   0.28558   
 C12994   C    1.76684    -0.07690   0.33428   
 C12995   C    1.75328    -0.06728   0.36016   
 C12996   C    1.74014    -0.05685   0.33543   
 C12997   C    1.75299    -0.06656   0.20916   
 C12998   C    1.75366    -0.19843   0.42473   
 C12999   C    1.74099    -0.12752   0.71400   
 C13000   C    1.75488    -0.11819   0.73915   
 C13001   C    1.76772    -0.10748   0.71472   
 C13002   C    1.76653    -0.10598   0.66618   
 C13003   C    1.75259    -0.11526   0.64057   
 C13004   C    1.73992    -0.12613   0.66548   
 C13005   C    1.74127    -0.00529   0.51386   
 C13006   C    1.75492    -0.00164   0.54878   
 C13007   C    1.76822    -0.01449   0.56138   
 C13008   C    1.76752    -0.03072   0.54052   
 C13009   C    1.75360    -0.03464   0.50615   
 C13010   C    1.74067    -0.02149   0.49279   
 C13011   C    1.75520    -0.11903   0.79125   
 C13012   C    1.75469    0.01556    0.57235   
 C13013   C    1.75380    -0.05072   0.48449   
 C13014   C    1.75464    -0.06702   0.50926   
 C13015   C    1.75254    -0.06792   0.55715   
 C13016   C    1.75261    -0.05185   0.43492   
 C13017   C    1.75534    -0.08306   0.48593   
 C13018   C    1.75380    -0.13263   0.51553   
 C13019   C    1.75465    -0.11634   0.49074   
 C13020   C    1.75257    -0.11544   0.44286   
 C13021   C    1.75256    -0.13150   0.56510   
 C13022   C    1.75533    -0.10029   0.51410   
 C13023   C    1.75377    -0.11586   0.59097   
 C13024   C    1.75462    -0.10017   0.56346   
 C13025   C    1.75253    -0.08413   0.58366   
 C13026   C    1.75383    -0.06750   0.40905   
 C13027   C    1.75466    -0.08319   0.43654   
 C13028   C    1.75258    -0.09922   0.41636   
 H13029   H    1.72977    -0.18754   0.49252   
 H13030   H    1.77773    -0.17130   0.40870   
 H13031   H    1.77679    -0.14235   0.44584   
 H13032   H    1.72876    -0.15876   0.53082   
 H13033   H    1.72985    -0.04855   0.26761   
 H13034   H    1.77729    -0.08399   0.26571   
 H13035   H    1.77734    -0.08485   0.35256   
 H13036   H    1.72969    -0.04912   0.35458   
 H13037   H    1.73103    -0.13573   0.73312   
 H13038   H    1.77836    -0.10013   0.73437   
 H13039   H    1.77651    -0.09749   0.64789   
 H13040   H    1.72904    -0.13346   0.64660   
 H13041   H    1.73110    0.00473    0.50399   
 H13042   H    1.77880    -0.01167   0.58846   
 H13043   H    1.77780    -0.04057   0.55129   
 H13044   H    1.72991    -0.02408   0.46597   
 H13045   H    1.75215    -0.04004   0.41561   
 H13046   H    1.74935    -0.12664   0.42348   
 H13047   H    1.74930    -0.05671   0.57655   
 H13048   H    1.75210    -0.14331   0.58442   
 H13049   H    1.74937    -0.10032   0.38045   
 H13050   H    1.74929    -0.08303   0.61958   
 O13051   O    1.76568    -0.20097   0.39182   
 O13052   O    1.74160    -0.20943   0.44009   
 O13053   O    1.74048    -0.05702   0.18961   
 O13054   O    1.76511    -0.07615   0.18820   
 O13055   O    1.74081    0.02555    0.56169   
 O13056   O    1.74193    -0.12781   0.81063   
 O13057   O    1.76837    -0.11070   0.81251   
 O13058   O    1.76790    0.01889    0.60178   
 H13059   H    1.70015    -0.24770   0.35749   
 O13060   O    1.71396    -0.24830   0.35391   
 H13061   H    1.22848    -0.22867   0.44307   
 O13062   O    1.23400    -0.23443   0.41632   
 H13063   H    1.79613    0.02902    0.59131   
 H13064   H    1.80049    0.04906    0.59497   
 H13065   H    1.79964    0.06594    0.53500   
 O13066   O    1.79935    0.06758    0.56843   
 O13067   O    1.79909    0.03799    0.61371   
 H13068   H    1.47166    0.01854    0.43649   
 O13069   O    1.47996    0.01324    0.41354   
 H13070   H    1.52820    -0.03199   0.40049   
 O13071   O    1.52014    -0.02339   0.38587   
 H13072   H    1.51355    -0.19358   0.49320   
 H13073   H    1.50024    -0.20646   0.52176   
 H13074   H    1.51056    -0.23092   0.54766   
 O13075   O    1.49966    -0.22361   0.55448   
 O13076   O    1.50074    -0.19467   0.50627   
 H13077   H    1.51072    0.04759    0.45223   
 H13078   H    1.50034    0.02317    0.47822   
 H13079   H    1.51362    0.01031    0.50677   
 O13080   O    1.50080    0.01139    0.49372   
 O13081   O    1.49980    0.04032    0.44542   
 H13082   H    1.49968    -0.13607   0.58692   
 H13083   H    1.48918    -0.14569   0.52100   
 H13084   H    1.48651    -0.12546   0.62188   
 O13085   O    1.50017    -0.14819   0.54051   
 O13086   O    1.49929    -0.13033   0.61884   
 H13087   H    1.47154    -0.20189   0.56352   
 O13088   O    1.47984    -0.19658   0.58640   
 H13089   H    1.52814    -0.15128   0.59942   
 O13090   O    1.52007    -0.15988   0.61404   
 H13091   H    1.48658    -0.05785   0.37809   
 H13092   H    1.48926    -0.03760   0.47895   
 H13093   H    1.49976    -0.04723   0.41305   
 O13094   O    1.49937    -0.05298   0.38116   
 O13095   O    1.50026    -0.03510   0.45946   
 Zr13096  Zr   1.26807    0.05207    0.58473   
 Zr13097  Zr   1.73176    0.05206    0.58469   
 Zr13098  Zr   1.46384    -0.00000   0.35013   
 Zr13099  Zr   1.49954    -0.17392   0.56467   
 Zr13100  Zr   1.49961    -0.00939   0.43528   
 O13101   O    1.27600    0.06484    0.64542   
 O13102   O    1.74296    -0.22729   0.35172   
 O13103   O    1.76069    0.05501    0.60121   
 O13104   O    1.25833    -0.22763   0.35019   
 O13105   O    1.51523    -0.19258   0.60470   
 O13106   O    1.48456    -0.16661   0.62456   
 O13107   O    1.48463    -0.01674   0.37541   
 O13108   O    1.51534    0.00931    0.39520   
 C13109   C    1.67754    -0.37761   0.70953   
 C13110   C    1.68368    -0.38322   0.66524   
 C13111   C    1.67455    -0.37661   0.62522   
 C13112   C    1.65992    -0.36439   0.62943   
 C13113   C    1.65401    -0.35835   0.67368   
 C13114   C    1.66291    -0.36542   0.71363   
 C13115   C    1.67816    -0.25695   0.51140   
 C13116   C    1.68383    -0.26880   0.47691   
 C13117   C    1.67461    -0.28491   0.47468   
 C13118   C    1.66035    -0.28922   0.50699   
 C13119   C    1.65482    -0.27754   0.54230   
 C13120   C    1.66380    -0.26124   0.54345   
 C13121   C    1.69953    -0.26412   0.44354   
 C13122   C    1.69984    -0.39575   0.66056   
 C13123   C    1.58181    -0.23094   0.62282   
 C13124   C    1.56249    -0.23595   0.61713   
 C13125   C    1.55819    -0.25349   0.61084   
 C13126   C    1.57288    -0.26578   0.61087   
 C13127   C    1.59232    -0.26089   0.61672   
 C13128   C    1.59648    -0.24321   0.62242   
 C13129   C    1.58173    -0.35334   0.82223   
 C13130   C    1.56240    -0.35245   0.80772   
 C13131   C    1.55834    -0.34698   0.76191   
 C13132   C    1.57318    -0.34206   0.73191   
 C13133   C    1.59260    -0.34253   0.74651   
 C13134   C    1.59658    -0.34853   0.79205   
 C13135   C    1.54682    -0.22283   0.62023   
 C13136   C    1.54669    -0.35691   0.84141   
 C13137   C    1.63874    -0.28152   0.57086   
 C13138   C    1.63774    -0.29770   0.59615   
 C13139   C    1.65299    -0.30911   0.59676   
 C13140   C    1.62361    -0.26958   0.58004   
 C13141   C    1.62223    -0.30189   0.62613   
 C13142   C    1.60723    -0.33826   0.71506   
 C13143   C    1.60739    -0.32276   0.68671   
 C13144   C    1.59424    -0.30967   0.69365   
 C13145   C    1.62357    -0.34923   0.71024   
 C13146   C    1.62222    -0.31912   0.65430   
 C13147   C    1.63871    -0.34665   0.67734   
 C13148   C    1.63772    -0.33085   0.65035   
 C13149   C    1.65298    -0.32532   0.62326   
 C13150   C    1.60726    -0.27313   0.60858   
 C13151   C    1.60740    -0.28961   0.63251   
 C13152   C    1.59425    -0.29346   0.66715   
 H13153   H    1.68458    -0.38290   0.74036   
 H13154   H    1.67913    -0.38117   0.59107   
 H13155   H    1.65306    -0.35933   0.59803   
 H13156   H    1.65842    -0.36117   0.74823   
 H13157   H    1.68527    -0.24446   0.51265   
 H13158   H    1.67880    -0.29391   0.44739   
 H13159   H    1.65343    -0.30179   0.50485   
 H13160   H    1.65964    -0.25195   0.57009   
 H13161   H    1.58502    -0.21735   0.62791   
 H13162   H    1.54320    -0.25734   0.60691   
 H13163   H    1.56925    -0.27934   0.60637   
 H13164   H    1.61135    -0.23907   0.62694   
 H13165   H    1.58481    -0.35769   0.85758   
 H13166   H    1.54336    -0.34628   0.75067   
 H13167   H    1.56970    -0.33763   0.69678   
 H13168   H    1.61144    -0.34923   0.80410   
 H13169   H    1.62385    -0.25759   0.56157   
 H13170   H    1.58431    -0.31036   0.72155   
 H13171   H    1.66613    -0.30584   0.58047   
 H13172   H    1.62380    -0.36085   0.73038   
 H13173   H    1.58432    -0.28404   0.67852   
 H13174   H    1.66612    -0.33216   0.62349   
 O13175   O    1.70498    -0.40000   0.61941   
 O13176   O    1.70729    -0.40125   0.69831   
 O13177   O    1.70639    -0.24897   0.44700   
 O13178   O    1.70490    -0.27550   0.41422   
 O13179   O    1.55189    -0.35997   0.88328   
 O13180   O    1.55191    -0.20752   0.63024   
 O13181   O    1.52957    -0.22789   0.61366   
 O13182   O    1.52943    -0.35701   0.82655   
 C13183   C    1.32168    -0.37730   0.70848   
 C13184   C    1.31601    -0.38308   0.66399   
 C13185   C    1.32522    -0.37628   0.62436   
 C13186   C    1.33949    -0.36372   0.62899   
 C13187   C    1.34505    -0.35762   0.67349   
 C13188   C    1.33603    -0.36484   0.71313   
 C13189   C    1.32241    -0.25643   0.51156   
 C13190   C    1.31625    -0.26831   0.47761   
 C13191   C    1.32539    -0.28443   0.47474   
 C13192   C    1.34006    -0.28874   0.50591   
 C13193   C    1.34600    -0.27708   0.54096   
 C13194   C    1.33709    -0.26077   0.54266   
 C13195   C    1.30006    -0.26403   0.44540   
 C13196   C    1.30034    -0.39619   0.65967   
 C13197   C    1.41809    -0.23138   0.62736   
 C13198   C    1.43741    -0.23651   0.62278   
 C13199   C    1.44154    -0.25397   0.61446   
 C13200   C    1.42671    -0.26608   0.61186   
 C13201   C    1.40727    -0.26108   0.61726   
 C13202   C    1.40327    -0.24346   0.62443   
 C13203   C    1.41749    -0.35234   0.82385   
 C13204   C    1.43689    -0.35106   0.81018   
 C13205   C    1.44128    -0.34574   0.76446   
 C13206   C    1.42657    -0.34140   0.73345   
 C13207   C    1.40705    -0.34221   0.74717   
 C13208   C    1.40281    -0.34802   0.79271   
 C13209   C    1.45270    -0.35502   0.84384   
 C13210   C    1.45314    -0.22344   0.62693   
 C13211   C    1.39257    -0.27313   0.60858   
 C13212   C    1.39242    -0.28960   0.63254   
 C13213   C    1.40555    -0.29346   0.66716   
 C13214   C    1.37625    -0.26958   0.58005   
 C13215   C    1.37760    -0.30189   0.62612   
 C13216   C    1.36109    -0.34665   0.67734   
 C13217   C    1.36208    -0.33085   0.65037   
 C13218   C    1.34686    -0.32532   0.62328   
 C13219   C    1.37620    -0.34923   0.71023   
 C13220   C    1.37760    -0.31912   0.65430   
 C13221   C    1.39254    -0.33826   0.71506   
 C13222   C    1.39241    -0.32276   0.68674   
 C13223   C    1.40554    -0.30967   0.69366   
 C13224   C    1.36112    -0.28152   0.57086   
 C13225   C    1.36210    -0.29769   0.59617   
 C13226   C    1.34687    -0.30911   0.59678   
 H13227   H    1.31458    -0.38272   0.73902   
 H13228   H    1.32103    -0.38099   0.58998   
 H13229   H    1.34640    -0.35855   0.59785   
 H13230   H    1.34019    -0.36049   0.74789   
 H13231   H    1.31536    -0.24394   0.51325   
 H13232   H    1.32076    -0.29347   0.44795   
 H13233   H    1.34691    -0.30131   0.50340   
 H13234   H    1.34159    -0.25145   0.56897   
 H13235   H    1.41500    -0.21781   0.63345   
 H13236   H    1.45650    -0.25788   0.61010   
 H13237   H    1.43019    -0.27956   0.60561   
 H13238   H    1.38839    -0.23923   0.62826   
 H13239   H    1.41424    -0.35661   0.85917   
 H13240   H    1.45631    -0.34502   0.75386   
 H13241   H    1.43021    -0.33721   0.69823   
 H13242   H    1.38785    -0.34898   0.80400   
 H13243   H    1.37603    -0.25759   0.56157   
 H13244   H    1.33372    -0.33216   0.62350   
 H13245   H    1.41547    -0.28404   0.67852   
 H13246   H    1.37598    -0.36085   0.73039   
 H13247   H    1.33373    -0.30584   0.58048   
 H13248   H    1.41546    -0.31036   0.72154   
 O13249   O    1.29502    -0.40051   0.61874   
 O13250   O    1.29351    -0.40216   0.69764   
 O13251   O    1.29258    -0.24916   0.44983   
 O13252   O    1.29489    -0.27548   0.41607   
 O13253   O    1.47048    -0.22871   0.62469   
 O13254   O    1.44790    -0.20783   0.63227   
 O13255   O    1.44762    -0.35987   0.88445   
 O13256   O    1.46997    -0.35326   0.82958   
 H13257   H    1.74548    -0.29601   0.41881   
 H13258   H    1.76518    -0.28885   0.47368   
 H13259   H    1.72289    -0.29709   0.42669   
 O13260   O    1.76597    -0.28949   0.44005   
 O13261   O    1.73265    -0.29824   0.40269   
 H13262   H    1.77148    -0.22963   0.44473   
 O13263   O    1.76597    -0.23569   0.41850   
 H13264   H    1.76360    -0.37557   0.62159   
 H13265   H    1.72398    -0.38598   0.56503   
 H13266   H    1.75420    -0.38720   0.58212   
 O13267   O    1.76663    -0.38466   0.59958   
 O13268   O    1.73419    -0.39413   0.55908   
 H13269   H    1.24572    -0.29367   0.42933   
 H13270   H    1.27594    -0.29982   0.42432   
 H13271   H    1.23629    -0.28622   0.47557   
 O13272   O    1.26573    -0.29795   0.40201   
 O13273   O    1.23327    -0.28916   0.44351   
 H13274   H    1.29985    -0.24864   0.35923   
 O13275   O    1.28605    -0.24956   0.35614   
 H13276   H    1.27700    -0.38644   0.57273   
 H13277   H    1.23469    -0.37500   0.61442   
 H13278   H    1.25442    -0.38953   0.57163   
 O13279   O    1.26723    -0.39373   0.55880   
 O13280   O    1.23390    -0.38566   0.59719   
 Zr13281  Zr   1.73191    -0.23555   0.41514   
 Zr13282  Zr   1.77114    -0.26496   0.41047   
 Zr13283  Zr   1.72839    -0.41813   0.59098   
 Zr13284  Zr   1.26807    -0.23554   0.41518   
 Zr13285  Zr   1.27153    -0.27634   0.35929   
 Zr13286  Zr   1.22875    -0.40675   0.64218   
 Zr13287  Zr   1.50032    -0.21477   0.62426   
 O13288   O    1.74168    -0.26044   0.40381   
 O13289   O    1.25704    -0.26010   0.40535   
 H13290   H    1.18962    0.74211    0.42663   
 H13291   H    1.19907    0.76727    0.40396   
 H13292   H    1.19013    0.77666    0.35978   
 O13293   O    1.19999    0.77795    0.38348   
 O13294   O    1.20078    0.74918    0.43253   
 C13295   C    0.82298    0.57295    0.49128   
 C13296   C    0.81757    0.58455    0.52662   
 C13297   C    0.82611    0.60096    0.52778   
 C13298   C    0.83961    0.60574    0.49402   
 C13299   C    0.84511    0.59421    0.45830   
 C13300   C    0.83659    0.57769    0.45781   
 C13301   C    0.82324    0.69530    0.29164   
 C13302   C    0.81757    0.70108    0.33614   
 C13303   C    0.82680    0.69423    0.37574   
 C13304   C    0.84093    0.68159    0.37105   
 C13305   C    0.84643    0.67543    0.32656   
 C13306   C    0.83749    0.68275    0.28699   
 C13307   C    0.80220    0.57970    0.56066   
 C13308   C    0.80164    0.71397    0.34032   
 C13309   C    0.91774    0.66882    0.17610   
 C13310   C    0.93716    0.66763    0.18978   
 C13311   C    0.94151    0.66229    0.23553   
 C13312   C    0.92679    0.65789    0.26648   
 C13313   C    0.90728    0.65862    0.25268   
 C13314   C    0.90306    0.66444    0.20713   
 C13315   C    0.91823    0.54787    0.37293   
 C13316   C    0.93754    0.55306    0.37747   
 C13317   C    0.94166    0.57053    0.38580   
 C13318   C    0.92682    0.58260    0.38840   
 C13319   C    0.90740    0.57756    0.38295   
 C13320   C    0.90340    0.55993    0.37583   
 C13321   C    0.95327    0.54002    0.37321   
 C13322   C    0.95296    0.67165    0.15618   
 C13323   C    0.86120    0.66330    0.32268   
 C13324   C    0.86219    0.64750    0.34967   
 C13325   C    0.84693    0.64197    0.37676   
 C13326   C    0.87634    0.66588    0.28978   
 C13327   C    0.87769    0.63576    0.34573   
 C13328   C    0.89264    0.58978    0.39144   
 C13329   C    0.89250    0.60626    0.36751   
 C13330   C    0.90566    0.61011    0.33287   
 C13331   C    0.87630    0.58623    0.41998   
 C13332   C    0.87768    0.61853    0.37389   
 C13333   C    0.86116    0.59816    0.42916   
 C13334   C    0.86217    0.61434    0.40387   
 C13335   C    0.84692    0.62576    0.40327   
 C13336   C    0.89268    0.65491    0.28496   
 C13337   C    0.89252    0.63941    0.31331   
 C13338   C    0.90567    0.62632    0.30637   
 H13339   H    0.81625    0.56031    0.49042   
 H13340   H    0.82173    0.60997    0.55495   
 H13341   H    0.84594    0.61858    0.49528   
 H13342   H    0.84059    0.56853    0.43068   
 H13343   H    0.81617    0.70072    0.26111   
 H13344   H    0.82238    0.69870    0.41022   
 H13345   H    0.84771    0.67629    0.40224   
 H13346   H    0.84161    0.67838    0.25218   
 H13347   H    0.91449    0.67310    0.14074   
 H13348   H    0.95653    0.66163    0.24620   
 H13349   H    0.93042    0.65368    0.30173   
 H13350   H    0.88810    0.66537    0.19583   
 H13351   H    0.91516    0.53430    0.36682   
 H13352   H    0.95662    0.57443    0.39015   
 H13353   H    0.93030    0.59608    0.39464   
 H13354   H    0.88851    0.55572    0.37198   
 H13355   H    0.87611    0.67750    0.26964   
 H13356   H    0.91559    0.60069    0.32150   
 H13357   H    0.83379    0.64881    0.37653   
 H13358   H    0.87606    0.57424    0.43845   
 H13359   H    0.91560    0.62701    0.27847   
 H13360   H    0.83378    0.62249    0.41956   
 O13361   O    0.79297    0.71794    0.30260   
 O13362   O    0.79404    0.56521    0.55435   
 O13363   O    0.79811    0.59045    0.59282   
 O13364   O    0.79759    0.71974    0.38073   
 O13365   O    0.97023    0.66993    0.17048   
 O13366   O    0.94790    0.67650    0.11555   
 O13367   O    0.94805    0.52443    0.36778   
 O13368   O    0.97061    0.54534    0.37535   
 C13369   C    1.17685    0.57311    0.49115   
 C13370   C    1.18254    0.58488    0.52586   
 C13371   C    1.17339    0.60102    0.52793   
 C13372   C    1.15928    0.60546    0.49541   
 C13373   C    1.15376    0.59385    0.45981   
 C13374   C    1.16267    0.57753    0.45882   
 C13375   C    1.17672    0.69537    0.29092   
 C13376   C    1.18216    0.70142    0.33532   
 C13377   C    1.17349    0.69415    0.37511   
 C13378   C    1.15997    0.68094    0.37060   
 C13379   C    1.15453    0.67468    0.32624   
 C13380   C    1.16310    0.68226    0.28649   
 C13381   C    1.19838    0.58015    0.55889   
 C13382   C    1.19761    0.71472    0.33971   
 C13383   C    1.08190    0.66989    0.17764   
 C13384   C    1.06255    0.66904    0.19205   
 C13385   C    1.05841    0.66352    0.23774   
 C13386   C    1.07319    0.65855    0.26788   
 C13387   C    1.09264    0.65902    0.25340   
 C13388   C    1.09667    0.66502    0.20793   
 C13389   C    1.08205    0.54762    0.37782   
 C13390   C    1.06273    0.55267    0.38337   
 C13391   C    1.05851    0.57023    0.38984   
 C13392   C    1.07325    0.58247    0.38996   
 C13393   C    1.09269    0.57755    0.38405   
 C13394   C    1.09676    0.55986    0.37833   
 C13395   C    1.04692    0.67362    0.15833   
 C13396   C    1.04700    0.53957    0.37988   
 C13397   C    1.10737    0.65491    0.28496   
 C13398   C    1.10750    0.63941    0.31328   
 C13399   C    1.09437    0.62632    0.30636   
 C13400   C    1.12370    0.66587    0.28977   
 C13401   C    1.12232    0.63577    0.34574   
 C13402   C    1.13878    0.59816    0.42916   
 C13403   C    1.13781    0.61434    0.40385   
 C13404   C    1.15304    0.62576    0.40325   
 C13405   C    1.12367    0.58623    0.41999   
 C13406   C    1.12230    0.61853    0.37389   
 C13407   C    1.10733    0.58978    0.39144   
 C13408   C    1.10749    0.60625    0.36748   
 C13409   C    1.09436    0.61010    0.33286   
 C13410   C    1.13882    0.66330    0.32268   
 C13411   C    1.13783    0.64749    0.34965   
 C13412   C    1.15305    0.64197    0.37675   
 H13413   H    1.18390    0.56059    0.48980   
 H13414   H    1.17785    0.61013    0.55484   
 H13415   H    1.15255    0.61812    0.49733   
 H13416   H    1.15853    0.56826    0.43204   
 H13417   H    1.18350    0.70100    0.26026   
 H13418   H    1.17784    0.69876    0.40947   
 H13419   H    1.15360    0.67536    0.40193   
 H13420   H    1.15912    0.67772    0.25179   
 H13421   H    1.08505    0.67425    0.14233   
 H13422   H    1.04342    0.66285    0.24879   
 H13423   H    1.06963    0.65411    0.30293   
 H13424   H    1.11158    0.66568    0.19600   
 H13425   H    1.08522    0.53403    0.37270   
 H13426   H    1.04355    0.57412    0.39374   
 H13427   H    1.06966    0.59602    0.39450   
 H13428   H    1.11165    0.55569    0.37389   
 H13429   H    1.16618    0.62249    0.41955   
 H13430   H    1.12393    0.67750    0.26964   
 H13431   H    1.12388    0.57423    0.43845   
 H13432   H    1.08445    0.62701    0.27848   
 H13433   H    1.16619    0.64881    0.37652   
 H13434   H    1.08444    0.60069    0.32151   
 O13435   O    1.20587    0.71939    0.30205   
 O13436   O    1.20239    0.59062    0.59167   
 O13437   O    1.20700    0.56596    0.55091   
 O13438   O    1.20172    0.72014    0.38052   
 O13439   O    1.05206    0.52427    0.36970   
 O13440   O    1.02965    0.67375    0.17321   
 O13441   O    1.05214    0.67673    0.11651   
 O13442   O    1.02976    0.54466    0.38633   
 H13443   H    0.76464    0.58720    0.54810   
 O13444   O    0.76077    0.58178    0.57700   
 H13445   H    0.80984    0.74065    0.41878   
 H13446   H    0.80089    0.75946    0.41691   
 H13447   H    0.81037    0.77864    0.36728   
 O13448   O    0.79918    0.77722    0.38692   
 O13449   O    0.79999    0.74779    0.43288   
 H13450   H    0.70025    0.52943    0.59446   
 H13451   H    0.69933    0.55686    0.58199   
 H13452   H    0.70368    0.56502    0.53231   
 O13453   O    0.70073    0.56815    0.56425   
 O13454   O    0.70050    0.53954    0.61402   
 H13455   H    0.76350    0.70681    0.35061   
 O13456   O    0.75930    0.71868    0.35067   
 H13457   H    1.23643    0.58687    0.54662   
 O13458   O    1.24061    0.58136    0.57513   
 H13459   H    1.23529    0.70712    0.35199   
 O13460   O    1.23916    0.71908    0.35249   
 Zr13461  Zr   0.77367    0.59163    0.64655   
 Zr13462  Zr   0.72667    0.72462    0.35203   
 Zr13463  Zr   1.27326    0.57908    0.59009   
 Zr13464  Zr   1.22623    0.73717    0.40848   
 Zr13465  Zr   1.00045    0.53148    0.37567   
 Zr13466  Zr   1.03629    0.50007    0.35006   
 O13467   O    0.73916    0.55612    0.59934   
 O13468   O    1.22381    0.56594    0.64351   
 C13469   C    0.75861    0.37262    0.71385   
 C13470   C    0.74494    0.38227    0.73898   
 C13471   C    0.73166    0.39243    0.71415   
 C13472   C    0.73233    0.39328    0.66550   
 C13473   C    0.74627    0.38392    0.64001   
 C13474   C    0.75919    0.37342    0.66519   
 C13475   C    0.75868    0.49483    0.51337   
 C13476   C    0.74479    0.49864    0.54765   
 C13477   C    0.73193    0.48563    0.56163   
 C13478   C    0.73313    0.46914    0.54241   
 C13479   C    0.74713    0.46515    0.50827   
 C13480   C    0.75976    0.47839    0.49396   
 C13481   C    0.74513    0.38181    0.79122   
 C13482   C    0.74454    0.51598    0.57024   
 C13483   C    0.75996    0.32239    0.48469   
 C13484   C    0.74667    0.31869    0.44899   
 C13485   C    0.73318    0.33134    0.43608   
 C13486   C    0.73327    0.34743    0.45774   
 C13487   C    0.74686    0.35142    0.49279   
 C13488   C    0.75998    0.33848    0.50630   
 C13489   C    0.76003    0.44291    0.28590   
 C13490   C    0.74639    0.43318    0.26094   
 C13491   C    0.73304    0.42309    0.28579   
 C13492   C    0.73362    0.42241    0.33445   
 C13493   C    0.74752    0.43188    0.35978   
 C13494   C    0.76050    0.44232    0.33458   
 C13495   C    0.74637    0.43367    0.20874   
 C13496   C    0.74704    0.30174    0.42444   
 C13497   C    0.74614    0.43251    0.40905   
 C13498   C    0.74529    0.41682    0.43657   
 C13499   C    0.74738    0.40078    0.41637   
 C13500   C    0.74733    0.44814    0.43490   
 C13501   C    0.74458    0.41694    0.48593   
 C13502   C    0.74608    0.38414    0.59098   
 C13503   C    0.74524    0.39983    0.56348   
 C13504   C    0.74733    0.41587    0.58366   
 C13505   C    0.74731    0.36850    0.56512   
 C13506   C    0.74457    0.39971    0.51409   
 C13507   C    0.74611    0.36737    0.51553   
 C13508   C    0.74527    0.38367    0.49077   
 C13509   C    0.74737    0.38457    0.44287   
 C13510   C    0.74611    0.44928    0.48449   
 C13511   C    0.74526    0.43299    0.50928   
 C13512   C    0.74733    0.43208    0.55716   
 H13513   H    0.76880    0.36471    0.73316   
 H13514   H    0.72111    0.39990    0.73372   
 H13515   H    0.72207    0.40141    0.64704   
 H13516   H    0.76995    0.36591    0.64635   
 H13517   H    0.76864    0.50493    0.50279   
 H13518   H    0.72128    0.48856    0.58843   
 H13519   H    0.72317    0.45920    0.55412   
 H13520   H    0.77066    0.47569    0.46752   
 H13521   H    0.77027    0.31248    0.49472   
 H13522   H    0.72274    0.32834    0.40895   
 H13523   H    0.72277    0.35712    0.44714   
 H13524   H    0.77047    0.34115    0.53377   
 H13525   H    0.77022    0.45079    0.26643   
 H13526   H    0.72228    0.41583    0.26632   
 H13527   H    0.72323    0.41446    0.35307   
 H13528   H    0.77123    0.44986    0.35338   
 H13529   H    0.75054    0.41697    0.61957   
 H13530   H    0.74780    0.45996    0.41560   
 H13531   H    0.74775    0.35669    0.58442   
 H13532   H    0.75062    0.39968    0.38045   
 H13533   H    0.75055    0.44329    0.57655   
 H13534   H    0.75061    0.37336    0.42347   
 O13535   O    0.75784    0.52640    0.55843   
 O13536   O    0.73187    0.38980    0.81288   
 O13537   O    0.75898    0.37361    0.81018   
 O13538   O    0.73140    0.51900    0.60023   
 O13539   O    0.73491    0.29936    0.39169   
 O13540   O    0.75957    0.29092    0.43823   
 O13541   O    0.75843    0.44379    0.18958   
 O13542   O    0.73439    0.42406    0.18735   
 C13543   C    1.23996    0.32249    0.48268   
 C13544   C    1.25361    0.31885    0.44779   
 C13545   C    1.26696    0.33165    0.43518   
 C13546   C    1.26639    0.34786    0.45622   
 C13547   C    1.25251    0.35174    0.49073   
 C13548   C    1.23948    0.33865    0.50395   
 C13549   C    1.24015    0.44358    0.28673   
 C13550   C    1.25339    0.43359    0.26127   
 C13551   C    1.26689    0.42351    0.28558   
 C13552   C    1.26684    0.42310    0.33428   
 C13553   C    1.25328    0.43272    0.36016   
 C13554   C    1.24014    0.44315    0.33543   
 C13555   C    1.25299    0.43344    0.20916   
 C13556   C    1.25366    0.30157    0.42473   
 C13557   C    1.24099    0.37248    0.71400   
 C13558   C    1.25488    0.38181    0.73915   
 C13559   C    1.26772    0.39252    0.71472   
 C13560   C    1.26653    0.39402    0.66618   
 C13561   C    1.25259    0.38474    0.64057   
 C13562   C    1.23992    0.37387    0.66548   
 C13563   C    1.24127    0.49471    0.51386   
 C13564   C    1.25492    0.49836    0.54878   
 C13565   C    1.26822    0.48551    0.56138   
 C13566   C    1.26752    0.46928    0.54052   
 C13567   C    1.25360    0.46536    0.50615   
 C13568   C    1.24067    0.47851    0.49279   
 C13569   C    1.25520    0.38097    0.79125   
 C13570   C    1.25469    0.51556    0.57235   
 C13571   C    1.25380    0.44928    0.48449   
 C13572   C    1.25464    0.43298    0.50926   
 C13573   C    1.25254    0.43208    0.55715   
 C13574   C    1.25261    0.44815    0.43492   
 C13575   C    1.25534    0.41694    0.48593   
 C13576   C    1.25380    0.36737    0.51553   
 C13577   C    1.25465    0.38366    0.49074   
 C13578   C    1.25257    0.38456    0.44286   
 C13579   C    1.25256    0.36850    0.56510   
 C13580   C    1.25533    0.39971    0.51410   
 C13581   C    1.25377    0.38414    0.59097   
 C13582   C    1.25462    0.39983    0.56346   
 C13583   C    1.25253    0.41587    0.58366   
 C13584   C    1.25383    0.43250    0.40905   
 C13585   C    1.25466    0.41681    0.43654   
 C13586   C    1.25258    0.40078    0.41636   
 H13587   H    1.22977    0.31246    0.49252   
 H13588   H    1.27773    0.32870    0.40870   
 H13589   H    1.27679    0.35765    0.44584   
 H13590   H    1.22876    0.34124    0.53082   
 H13591   H    1.22985    0.45145    0.26761   
 H13592   H    1.27729    0.41601    0.26571   
 H13593   H    1.27734    0.41515    0.35256   
 H13594   H    1.22969    0.45088    0.35458   
 H13595   H    1.23103    0.36427    0.73312   
 H13596   H    1.27836    0.39987    0.73437   
 H13597   H    1.27651    0.40251    0.64789   
 H13598   H    1.22904    0.36654    0.64660   
 H13599   H    1.23110    0.50473    0.50399   
 H13600   H    1.27880    0.48833    0.58846   
 H13601   H    1.27780    0.45943    0.55129   
 H13602   H    1.22991    0.47592    0.46597   
 H13603   H    1.25215    0.45996    0.41561   
 H13604   H    1.24935    0.37336    0.42348   
 H13605   H    1.24930    0.44329    0.57655   
 H13606   H    1.25210    0.35669    0.58442   
 H13607   H    1.24937    0.39968    0.38045   
 H13608   H    1.24929    0.41697    0.61958   
 O13609   O    1.26568    0.29903    0.39182   
 O13610   O    1.24160    0.29057    0.44009   
 O13611   O    1.24048    0.44298    0.18961   
 O13612   O    1.26511    0.42385    0.18820   
 O13613   O    1.24081    0.52555    0.56169   
 O13614   O    1.24193    0.37219    0.81063   
 O13615   O    1.26837    0.38930    0.81251   
 O13616   O    1.26790    0.51889    0.60178   
 H13617   H    1.20015    0.25230    0.35749   
 O13618   O    1.21396    0.25170    0.35391   
 H13619   H    0.72848    0.27133    0.44307   
 O13620   O    0.73400    0.26557    0.41632   
 H13621   H    1.29613    0.52902    0.59131   
 H13622   H    1.30049    0.54906    0.59497   
 H13623   H    1.29964    0.56594    0.53500   
 O13624   O    1.29935    0.56758    0.56843   
 O13625   O    1.29909    0.53799    0.61371   
 H13626   H    0.97166    0.51854    0.43649   
 O13627   O    0.97996    0.51324    0.41354   
 H13628   H    1.02820    0.46801    0.40049   
 O13629   O    1.02014    0.47661    0.38587   
 H13630   H    1.01355    0.30642    0.49320   
 H13631   H    1.00024    0.29354    0.52176   
 H13632   H    1.01056    0.26908    0.54766   
 O13633   O    0.99966    0.27639    0.55448   
 O13634   O    1.00074    0.30533    0.50627   
 H13635   H    1.01072    0.54759    0.45223   
 H13636   H    1.00034    0.52317    0.47822   
 H13637   H    1.01362    0.51031    0.50677   
 O13638   O    1.00080    0.51139    0.49372   
 O13639   O    0.99980    0.54032    0.44542   
 H13640   H    0.99968    0.36393    0.58692   
 H13641   H    0.98918    0.35431    0.52100   
 H13642   H    0.98651    0.37454    0.62188   
 O13643   O    1.00017    0.35181    0.54051   
 O13644   O    0.99929    0.36967    0.61884   
 H13645   H    0.97154    0.29811    0.56352   
 O13646   O    0.97984    0.30342    0.58640   
 H13647   H    1.02814    0.34872    0.59942   
 O13648   O    1.02007    0.34012    0.61404   
 H13649   H    0.98658    0.44215    0.37809   
 H13650   H    0.98926    0.46240    0.47895   
 H13651   H    0.99976    0.45277    0.41305   
 O13652   O    0.99937    0.44702    0.38116   
 O13653   O    1.00026    0.46490    0.45946   
 Zr13654  Zr   0.76807    0.55207    0.58473   
 Zr13655  Zr   1.23176    0.55206    0.58469   
 Zr13656  Zr   0.96384    0.50000    0.35013   
 Zr13657  Zr   0.99954    0.32608    0.56467   
 Zr13658  Zr   0.99961    0.49061    0.43528   
 O13659   O    0.77600    0.56484    0.64542   
 O13660   O    1.24296    0.27271    0.35172   
 O13661   O    1.26069    0.55501    0.60121   
 O13662   O    0.75833    0.27237    0.35019   
 O13663   O    1.01523    0.30742    0.60470   
 O13664   O    0.98456    0.33339    0.62456   
 O13665   O    0.98463    0.48326    0.37541   
 O13666   O    1.01534    0.50931    0.39520   
 C13667   C    1.17754    0.12239    0.70953   
 C13668   C    1.18368    0.11678    0.66524   
 C13669   C    1.17455    0.12339    0.62522   
 C13670   C    1.15992    0.13561    0.62943   
 C13671   C    1.15401    0.14165    0.67368   
 C13672   C    1.16291    0.13458    0.71363   
 C13673   C    1.17816    0.24305    0.51140   
 C13674   C    1.18383    0.23120    0.47691   
 C13675   C    1.17461    0.21509    0.47468   
 C13676   C    1.16035    0.21078    0.50699   
 C13677   C    1.15482    0.22246    0.54230   
 C13678   C    1.16380    0.23876    0.54345   
 C13679   C    1.19953    0.23588    0.44354   
 C13680   C    1.19984    0.10425    0.66056   
 C13681   C    1.08181    0.26906    0.62282   
 C13682   C    1.06249    0.26405    0.61713   
 C13683   C    1.05819    0.24651    0.61084   
 C13684   C    1.07288    0.23422    0.61087   
 C13685   C    1.09232    0.23911    0.61672   
 C13686   C    1.09648    0.25679    0.62242   
 C13687   C    1.08173    0.14666    0.82223   
 C13688   C    1.06240    0.14755    0.80772   
 C13689   C    1.05834    0.15302    0.76191   
 C13690   C    1.07318    0.15794    0.73191   
 C13691   C    1.09260    0.15747    0.74651   
 C13692   C    1.09658    0.15147    0.79205   
 C13693   C    1.04682    0.27717    0.62023   
 C13694   C    1.04669    0.14309    0.84141   
 C13695   C    1.13874    0.21848    0.57086   
 C13696   C    1.13774    0.20230    0.59615   
 C13697   C    1.15299    0.19089    0.59676   
 C13698   C    1.12361    0.23042    0.58004   
 C13699   C    1.12223    0.19811    0.62613   
 C13700   C    1.10723    0.16174    0.71506   
 C13701   C    1.10739    0.17724    0.68671   
 C13702   C    1.09424    0.19033    0.69365   
 C13703   C    1.12357    0.15077    0.71024   
 C13704   C    1.12222    0.18088    0.65430   
 C13705   C    1.13871    0.15335    0.67734   
 C13706   C    1.13772    0.16915    0.65035   
 C13707   C    1.15298    0.17468    0.62326   
 C13708   C    1.10726    0.22687    0.60858   
 C13709   C    1.10740    0.21039    0.63251   
 C13710   C    1.09425    0.20654    0.66715   
 H13711   H    1.18458    0.11710    0.74036   
 H13712   H    1.17913    0.11883    0.59107   
 H13713   H    1.15306    0.14067    0.59803   
 H13714   H    1.15842    0.13883    0.74823   
 H13715   H    1.18527    0.25554    0.51265   
 H13716   H    1.17880    0.20609    0.44739   
 H13717   H    1.15343    0.19821    0.50485   
 H13718   H    1.15964    0.24805    0.57009   
 H13719   H    1.08502    0.28265    0.62791   
 H13720   H    1.04320    0.24266    0.60691   
 H13721   H    1.06925    0.22066    0.60637   
 H13722   H    1.11135    0.26093    0.62694   
 H13723   H    1.08481    0.14231    0.85758   
 H13724   H    1.04336    0.15372    0.75067   
 H13725   H    1.06970    0.16237    0.69678   
 H13726   H    1.11144    0.15077    0.80410   
 H13727   H    1.12385    0.24241    0.56157   
 H13728   H    1.08431    0.18964    0.72155   
 H13729   H    1.16613    0.19416    0.58047   
 H13730   H    1.12380    0.13915    0.73038   
 H13731   H    1.08432    0.21596    0.67852   
 H13732   H    1.16612    0.16784    0.62349   
 O13733   O    1.20498    0.10000    0.61941   
 O13734   O    1.20729    0.09875    0.69831   
 O13735   O    1.20639    0.25103    0.44700   
 O13736   O    1.20490    0.22450    0.41422   
 O13737   O    1.05189    0.14003    0.88328   
 O13738   O    1.05191    0.29248    0.63024   
 O13739   O    1.02957    0.27211    0.61366   
 O13740   O    1.02943    0.14299    0.82655   
 C13741   C    0.82168    0.12270    0.70848   
 C13742   C    0.81601    0.11692    0.66399   
 C13743   C    0.82522    0.12372    0.62436   
 C13744   C    0.83949    0.13628    0.62899   
 C13745   C    0.84505    0.14238    0.67349   
 C13746   C    0.83603    0.13516    0.71313   
 C13747   C    0.82241    0.24357    0.51156   
 C13748   C    0.81625    0.23169    0.47761   
 C13749   C    0.82539    0.21557    0.47474   
 C13750   C    0.84006    0.21126    0.50591   
 C13751   C    0.84600    0.22292    0.54096   
 C13752   C    0.83709    0.23923    0.54266   
 C13753   C    0.80006    0.23597    0.44540   
 C13754   C    0.80034    0.10381    0.65967   
 C13755   C    0.91809    0.26862    0.62736   
 C13756   C    0.93741    0.26349    0.62278   
 C13757   C    0.94154    0.24603    0.61446   
 C13758   C    0.92671    0.23392    0.61186   
 C13759   C    0.90727    0.23892    0.61726   
 C13760   C    0.90327    0.25654    0.62443   
 C13761   C    0.91749    0.14766    0.82385   
 C13762   C    0.93689    0.14894    0.81018   
 C13763   C    0.94128    0.15426    0.76446   
 C13764   C    0.92657    0.15860    0.73345   
 C13765   C    0.90705    0.15779    0.74717   
 C13766   C    0.90281    0.15198    0.79271   
 C13767   C    0.95270    0.14498    0.84384   
 C13768   C    0.95314    0.27656    0.62693   
 C13769   C    0.89257    0.22687    0.60858   
 C13770   C    0.89242    0.21040    0.63254   
 C13771   C    0.90555    0.20654    0.66716   
 C13772   C    0.87625    0.23042    0.58005   
 C13773   C    0.87760    0.19811    0.62612   
 C13774   C    0.86109    0.15335    0.67734   
 C13775   C    0.86208    0.16915    0.65037   
 C13776   C    0.84686    0.17468    0.62328   
 C13777   C    0.87620    0.15077    0.71023   
 C13778   C    0.87760    0.18088    0.65430   
 C13779   C    0.89254    0.16174    0.71506   
 C13780   C    0.89241    0.17724    0.68674   
 C13781   C    0.90554    0.19033    0.69366   
 C13782   C    0.86112    0.21848    0.57086   
 C13783   C    0.86210    0.20231    0.59617   
 C13784   C    0.84687    0.19089    0.59678   
 H13785   H    0.81458    0.11728    0.73902   
 H13786   H    0.82103    0.11901    0.58998   
 H13787   H    0.84640    0.14145    0.59785   
 H13788   H    0.84019    0.13951    0.74789   
 H13789   H    0.81536    0.25606    0.51325   
 H13790   H    0.82076    0.20653    0.44795   
 H13791   H    0.84691    0.19869    0.50340   
 H13792   H    0.84159    0.24855    0.56897   
 H13793   H    0.91500    0.28219    0.63345   
 H13794   H    0.95650    0.24212    0.61010   
 H13795   H    0.93019    0.22044    0.60561   
 H13796   H    0.88839    0.26077    0.62826   
 H13797   H    0.91424    0.14339    0.85917   
 H13798   H    0.95631    0.15498    0.75386   
 H13799   H    0.93021    0.16279    0.69823   
 H13800   H    0.88785    0.15102    0.80400   
 H13801   H    0.87603    0.24241    0.56157   
 H13802   H    0.83372    0.16784    0.62350   
 H13803   H    0.91547    0.21596    0.67852   
 H13804   H    0.87598    0.13915    0.73039   
 H13805   H    0.83373    0.19416    0.58048   
 H13806   H    0.91546    0.18964    0.72154   
 O13807   O    0.79502    0.09949    0.61874   
 O13808   O    0.79351    0.09784    0.69764   
 O13809   O    0.79258    0.25084    0.44983   
 O13810   O    0.79489    0.22452    0.41607   
 O13811   O    0.97048    0.27129    0.62469   
 O13812   O    0.94790    0.29217    0.63227   
 O13813   O    0.94762    0.14013    0.88445   
 O13814   O    0.96997    0.14674    0.82958   
 H13815   H    1.24548    0.20399    0.41881   
 H13816   H    1.26518    0.21115    0.47368   
 H13817   H    1.22289    0.20291    0.42669   
 O13818   O    1.26597    0.21051    0.44005   
 O13819   O    1.23265    0.20176    0.40269   
 H13820   H    1.27148    0.27037    0.44473   
 O13821   O    1.26597    0.26431    0.41850   
 H13822   H    1.26360    0.12443    0.62159   
 H13823   H    1.22398    0.11402    0.56503   
 H13824   H    1.25420    0.11280    0.58212   
 O13825   O    1.26663    0.11534    0.59958   
 O13826   O    1.23419    0.10587    0.55908   
 H13827   H    0.74572    0.20633    0.42933   
 H13828   H    0.77594    0.20018    0.42432   
 H13829   H    0.73629    0.21378    0.47557   
 O13830   O    0.76573    0.20205    0.40201   
 O13831   O    0.73327    0.21084    0.44351   
 H13832   H    0.79985    0.25136    0.35923   
 O13833   O    0.78605    0.25044    0.35614   
 H13834   H    0.77700    0.11356    0.57273   
 H13835   H    0.73469    0.12500    0.61442   
 H13836   H    0.75442    0.11047    0.57163   
 O13837   O    0.76723    0.10627    0.55880   
 O13838   O    0.73390    0.11434    0.59719   
 Zr13839  Zr   1.23191    0.26445    0.41514   
 Zr13840  Zr   1.27114    0.23504    0.41047   
 Zr13841  Zr   1.22839    0.08187    0.59098   
 Zr13842  Zr   0.76807    0.26446    0.41518   
 Zr13843  Zr   0.77153    0.22366    0.35929   
 Zr13844  Zr   0.72875    0.09325    0.64218   
 Zr13845  Zr   1.00032    0.28523    0.62426   
 O13846   O    1.24168    0.23956    0.40381   
 O13847   O    0.75704    0.23990    0.40535   
 C13848   C    0.25861    0.87262    0.71385   
 C13849   C    0.24494    0.88227    0.73898   
 C13850   C    0.23166    0.89243    0.71415   
 C13851   C    0.23233    0.89328    0.66550   
 C13852   C    0.24627    0.88392    0.64001   
 C13853   C    0.25919    0.87342    0.66519   
 C13854   C    0.25868    0.99483    0.51337   
 C13855   C    0.24479    0.99864    0.54765   
 C13856   C    0.23193    0.98563    0.56163   
 C13857   C    0.23313    0.96914    0.54241   
 C13858   C    0.24713    0.96515    0.50827   
 C13859   C    0.25976    0.97839    0.49396   
 C13860   C    0.24513    0.88181    0.79122   
 C13861   C    0.24454    1.01598    0.57024   
 C13862   C    0.25996    0.82239    0.48469   
 C13863   C    0.24667    0.81869    0.44899   
 C13864   C    0.23318    0.83134    0.43608   
 C13865   C    0.23327    0.84743    0.45774   
 C13866   C    0.24686    0.85142    0.49279   
 C13867   C    0.25998    0.83848    0.50630   
 C13868   C    0.26003    0.94291    0.28590   
 C13869   C    0.24639    0.93318    0.26094   
 C13870   C    0.23304    0.92309    0.28579   
 C13871   C    0.23362    0.92241    0.33445   
 C13872   C    0.24752    0.93188    0.35978   
 C13873   C    0.26050    0.94232    0.33458   
 C13874   C    0.24637    0.93367    0.20874   
 C13875   C    0.24704    0.80174    0.42444   
 C13876   C    0.24614    0.93251    0.40905   
 C13877   C    0.24529    0.91682    0.43657   
 C13878   C    0.24738    0.90078    0.41637   
 C13879   C    0.24733    0.94814    0.43490   
 C13880   C    0.24458    0.91694    0.48593   
 C13881   C    0.24608    0.88414    0.59098   
 C13882   C    0.24524    0.89983    0.56348   
 C13883   C    0.24733    0.91587    0.58366   
 C13884   C    0.24731    0.86850    0.56512   
 C13885   C    0.24457    0.89971    0.51409   
 C13886   C    0.24611    0.86737    0.51553   
 C13887   C    0.24527    0.88367    0.49077   
 C13888   C    0.24737    0.88457    0.44287   
 C13889   C    0.24611    0.94928    0.48449   
 C13890   C    0.24526    0.93299    0.50928   
 C13891   C    0.24733    0.93208    0.55716   
 H13892   H    0.26880    0.86471    0.73316   
 H13893   H    0.22111    0.89990    0.73372   
 H13894   H    0.22207    0.90141    0.64704   
 H13895   H    0.26995    0.86591    0.64635   
 H13896   H    0.26864    1.00493    0.50279   
 H13897   H    0.22128    0.98856    0.58843   
 H13898   H    0.22317    0.95920    0.55412   
 H13899   H    0.27066    0.97569    0.46752   
 H13900   H    0.27027    0.81248    0.49472   
 H13901   H    0.22274    0.82834    0.40895   
 H13902   H    0.22277    0.85712    0.44714   
 H13903   H    0.27047    0.84115    0.53377   
 H13904   H    0.27022    0.95079    0.26643   
 H13905   H    0.22228    0.91583    0.26632   
 H13906   H    0.22323    0.91446    0.35307   
 H13907   H    0.27123    0.94986    0.35338   
 H13908   H    0.25054    0.91697    0.61957   
 H13909   H    0.24780    0.95996    0.41560   
 H13910   H    0.24775    0.85669    0.58442   
 H13911   H    0.25062    0.89968    0.38045   
 H13912   H    0.25055    0.94329    0.57655   
 H13913   H    0.25061    0.87336    0.42347   
 O13914   O    0.25784    1.02640    0.55843   
 O13915   O    0.23187    0.88980    0.81288   
 O13916   O    0.25898    0.87361    0.81018   
 O13917   O    0.23140    1.01900    0.60023   
 O13918   O    0.23491    0.79936    0.39169   
 O13919   O    0.25957    0.79092    0.43823   
 O13920   O    0.25843    0.94379    0.18958   
 O13921   O    0.23439    0.92406    0.18735   
 C13922   C    0.73996    0.82249    0.48268   
 C13923   C    0.75361    0.81885    0.44779   
 C13924   C    0.76696    0.83165    0.43518   
 C13925   C    0.76639    0.84786    0.45622   
 C13926   C    0.75251    0.85174    0.49073   
 C13927   C    0.73948    0.83865    0.50395   
 C13928   C    0.74015    0.94358    0.28673   
 C13929   C    0.75339    0.93359    0.26127   
 C13930   C    0.76689    0.92351    0.28558   
 C13931   C    0.76684    0.92310    0.33428   
 C13932   C    0.75328    0.93272    0.36016   
 C13933   C    0.74014    0.94315    0.33543   
 C13934   C    0.75299    0.93344    0.20916   
 C13935   C    0.75366    0.80157    0.42473   
 C13936   C    0.74099    0.87248    0.71400   
 C13937   C    0.75488    0.88181    0.73915   
 C13938   C    0.76772    0.89252    0.71472   
 C13939   C    0.76653    0.89402    0.66618   
 C13940   C    0.75259    0.88474    0.64057   
 C13941   C    0.73992    0.87387    0.66548   
 C13942   C    0.74127    0.99471    0.51386   
 C13943   C    0.75492    0.99836    0.54878   
 C13944   C    0.76822    0.98551    0.56138   
 C13945   C    0.76752    0.96928    0.54052   
 C13946   C    0.75360    0.96536    0.50615   
 C13947   C    0.74067    0.97851    0.49279   
 C13948   C    0.75520    0.88097    0.79125   
 C13949   C    0.75469    1.01556    0.57235   
 C13950   C    0.75380    0.94928    0.48449   
 C13951   C    0.75464    0.93298    0.50926   
 C13952   C    0.75254    0.93208    0.55715   
 C13953   C    0.75261    0.94815    0.43492   
 C13954   C    0.75534    0.91694    0.48593   
 C13955   C    0.75380    0.86737    0.51553   
 C13956   C    0.75465    0.88366    0.49074   
 C13957   C    0.75257    0.88456    0.44286   
 C13958   C    0.75256    0.86850    0.56510   
 C13959   C    0.75533    0.89971    0.51410   
 C13960   C    0.75377    0.88414    0.59097   
 C13961   C    0.75462    0.89983    0.56346   
 C13962   C    0.75253    0.91587    0.58366   
 C13963   C    0.75383    0.93250    0.40905   
 C13964   C    0.75466    0.91681    0.43654   
 C13965   C    0.75258    0.90078    0.41636   
 H13966   H    0.72977    0.81246    0.49252   
 H13967   H    0.77773    0.82870    0.40870   
 H13968   H    0.77679    0.85765    0.44584   
 H13969   H    0.72876    0.84124    0.53082   
 H13970   H    0.72985    0.95145    0.26761   
 H13971   H    0.77729    0.91601    0.26571   
 H13972   H    0.77734    0.91515    0.35256   
 H13973   H    0.72969    0.95088    0.35458   
 H13974   H    0.73103    0.86427    0.73312   
 H13975   H    0.77836    0.89987    0.73437   
 H13976   H    0.77651    0.90251    0.64789   
 H13977   H    0.72904    0.86654    0.64660   
 H13978   H    0.73110    1.00473    0.50399   
 H13979   H    0.77880    0.98833    0.58846   
 H13980   H    0.77780    0.95943    0.55129   
 H13981   H    0.72991    0.97592    0.46597   
 H13982   H    0.75215    0.95996    0.41561   
 H13983   H    0.74935    0.87336    0.42348   
 H13984   H    0.74930    0.94329    0.57655   
 H13985   H    0.75210    0.85669    0.58442   
 H13986   H    0.74937    0.89968    0.38045   
 H13987   H    0.74929    0.91697    0.61958   
 O13988   O    0.76568    0.79903    0.39182   
 O13989   O    0.74160    0.79057    0.44009   
 O13990   O    0.74048    0.94298    0.18961   
 O13991   O    0.76511    0.92385    0.18820   
 O13992   O    0.74081    1.02555    0.56169   
 O13993   O    0.74193    0.87219    0.81063   
 O13994   O    0.76837    0.88930    0.81251   
 O13995   O    0.76790    1.01889    0.60178   
 H13996   H    0.70015    0.75230    0.35749   
 O13997   O    0.71396    0.75170    0.35391   
 H13998   H    0.22848    0.77133    0.44307   
 O13999   O    0.23400    0.76557    0.41632   
 H14000   H    0.79613    1.02902    0.59131   
 H14001   H    0.80049    1.04906    0.59497   
 H14002   H    0.79964    1.06594    0.53500   
 O14003   O    0.79935    1.06758    0.56843   
 O14004   O    0.79909    1.03799    0.61371   
 H14005   H    0.47166    1.01854    0.43649   
 O14006   O    0.47996    1.01324    0.41354   
 H14007   H    0.52820    0.96801    0.40049   
 O14008   O    0.52014    0.97661    0.38587   
 H14009   H    0.51355    0.80642    0.49320   
 H14010   H    0.50024    0.79354    0.52176   
 H14011   H    0.51056    0.76908    0.54766   
 O14012   O    0.49966    0.77639    0.55448   
 O14013   O    0.50074    0.80533    0.50627   
 H14014   H    0.51072    1.04759    0.45223   
 H14015   H    0.50034    1.02317    0.47822   
 H14016   H    0.51362    1.01031    0.50677   
 O14017   O    0.50080    1.01139    0.49372   
 O14018   O    0.49980    1.04032    0.44542   
 H14019   H    0.49968    0.86393    0.58692   
 H14020   H    0.48918    0.85431    0.52100   
 H14021   H    0.48651    0.87454    0.62188   
 O14022   O    0.50017    0.85181    0.54051   
 O14023   O    0.49929    0.86967    0.61884   
 H14024   H    0.47154    0.79811    0.56352   
 O14025   O    0.47984    0.80342    0.58640   
 H14026   H    0.52814    0.84872    0.59942   
 O14027   O    0.52007    0.84012    0.61404   
 H14028   H    0.48658    0.94215    0.37809   
 H14029   H    0.48926    0.96240    0.47895   
 H14030   H    0.49976    0.95277    0.41305   
 O14031   O    0.49937    0.94702    0.38116   
 O14032   O    0.50026    0.96490    0.45946   
 Zr14033  Zr   0.26807    1.05207    0.58473   
 Zr14034  Zr   0.73176    1.05206    0.58469   
 Zr14035  Zr   0.46384    1.00000    0.35013   
 Zr14036  Zr   0.49954    0.82608    0.56467   
 Zr14037  Zr   0.49961    0.99061    0.43528   
 O14038   O    0.27600    1.06484    0.64542   
 O14039   O    0.74296    0.77271    0.35172   
 O14040   O    0.76069    1.05501    0.60121   
 O14041   O    0.25833    0.77237    0.35019   
 O14042   O    0.51523    0.80742    0.60470   
 O14043   O    0.48456    0.83339    0.62456   
 O14044   O    0.48463    0.98326    0.37541   
 O14045   O    0.51534    1.00931    0.39520   
 C14046   C    0.67754    0.62239    0.70953   
 C14047   C    0.68368    0.61678    0.66524   
 C14048   C    0.67455    0.62339    0.62522   
 C14049   C    0.65992    0.63561    0.62943   
 C14050   C    0.65401    0.64165    0.67368   
 C14051   C    0.66291    0.63458    0.71363   
 C14052   C    0.67816    0.74305    0.51140   
 C14053   C    0.68383    0.73120    0.47691   
 C14054   C    0.67461    0.71509    0.47468   
 C14055   C    0.66035    0.71078    0.50699   
 C14056   C    0.65482    0.72246    0.54230   
 C14057   C    0.66380    0.73876    0.54345   
 C14058   C    0.69953    0.73588    0.44354   
 C14059   C    0.69984    0.60425    0.66056   
 C14060   C    0.58181    0.76906    0.62282   
 C14061   C    0.56249    0.76405    0.61713   
 C14062   C    0.55819    0.74651    0.61084   
 C14063   C    0.57288    0.73422    0.61087   
 C14064   C    0.59232    0.73911    0.61672   
 C14065   C    0.59648    0.75679    0.62242   
 C14066   C    0.58173    0.64666    0.82223   
 C14067   C    0.56240    0.64755    0.80772   
 C14068   C    0.55834    0.65302    0.76191   
 C14069   C    0.57318    0.65794    0.73191   
 C14070   C    0.59260    0.65747    0.74651   
 C14071   C    0.59658    0.65147    0.79205   
 C14072   C    0.54682    0.77717    0.62023   
 C14073   C    0.54669    0.64309    0.84141   
 C14074   C    0.63874    0.71848    0.57086   
 C14075   C    0.63774    0.70230    0.59615   
 C14076   C    0.65299    0.69089    0.59676   
 C14077   C    0.62361    0.73042    0.58004   
 C14078   C    0.62223    0.69811    0.62613   
 C14079   C    0.60723    0.66174    0.71506   
 C14080   C    0.60739    0.67724    0.68671   
 C14081   C    0.59424    0.69033    0.69365   
 C14082   C    0.62357    0.65077    0.71024   
 C14083   C    0.62222    0.68088    0.65430   
 C14084   C    0.63871    0.65335    0.67734   
 C14085   C    0.63772    0.66915    0.65035   
 C14086   C    0.65298    0.67468    0.62326   
 C14087   C    0.60726    0.72687    0.60858   
 C14088   C    0.60740    0.71039    0.63251   
 C14089   C    0.59425    0.70654    0.66715   
 H14090   H    0.68458    0.61710    0.74036   
 H14091   H    0.67913    0.61883    0.59107   
 H14092   H    0.65306    0.64067    0.59803   
 H14093   H    0.65842    0.63883    0.74823   
 H14094   H    0.68527    0.75554    0.51265   
 H14095   H    0.67880    0.70609    0.44739   
 H14096   H    0.65343    0.69821    0.50485   
 H14097   H    0.65964    0.74805    0.57009   
 H14098   H    0.58502    0.78265    0.62791   
 H14099   H    0.54320    0.74266    0.60691   
 H14100   H    0.56925    0.72066    0.60637   
 H14101   H    0.61135    0.76093    0.62694   
 H14102   H    0.58481    0.64231    0.85758   
 H14103   H    0.54336    0.65372    0.75067   
 H14104   H    0.56970    0.66237    0.69678   
 H14105   H    0.61144    0.65077    0.80410   
 H14106   H    0.62385    0.74241    0.56157   
 H14107   H    0.58431    0.68964    0.72155   
 H14108   H    0.66613    0.69416    0.58047   
 H14109   H    0.62380    0.63915    0.73038   
 H14110   H    0.58432    0.71596    0.67852   
 H14111   H    0.66612    0.66784    0.62349   
 O14112   O    0.70498    0.60000    0.61941   
 O14113   O    0.70729    0.59875    0.69831   
 O14114   O    0.70639    0.75103    0.44700   
 O14115   O    0.70490    0.72450    0.41422   
 O14116   O    0.55189    0.64003    0.88328   
 O14117   O    0.55191    0.79248    0.63024   
 O14118   O    0.52957    0.77211    0.61366   
 O14119   O    0.52943    0.64299    0.82655   
 C14120   C    0.32168    0.62270    0.70848   
 C14121   C    0.31601    0.61692    0.66399   
 C14122   C    0.32522    0.62372    0.62436   
 C14123   C    0.33949    0.63628    0.62899   
 C14124   C    0.34505    0.64238    0.67349   
 C14125   C    0.33603    0.63516    0.71313   
 C14126   C    0.32241    0.74357    0.51156   
 C14127   C    0.31625    0.73169    0.47761   
 C14128   C    0.32539    0.71557    0.47474   
 C14129   C    0.34006    0.71126    0.50591   
 C14130   C    0.34600    0.72292    0.54096   
 C14131   C    0.33709    0.73923    0.54266   
 C14132   C    0.30006    0.73597    0.44540   
 C14133   C    0.30034    0.60381    0.65967   
 C14134   C    0.41809    0.76862    0.62736   
 C14135   C    0.43741    0.76349    0.62278   
 C14136   C    0.44154    0.74603    0.61446   
 C14137   C    0.42671    0.73392    0.61186   
 C14138   C    0.40727    0.73892    0.61726   
 C14139   C    0.40327    0.75654    0.62443   
 C14140   C    0.41749    0.64766    0.82385   
 C14141   C    0.43689    0.64894    0.81018   
 C14142   C    0.44128    0.65426    0.76446   
 C14143   C    0.42657    0.65860    0.73345   
 C14144   C    0.40705    0.65779    0.74717   
 C14145   C    0.40281    0.65198    0.79271   
 C14146   C    0.45270    0.64498    0.84384   
 C14147   C    0.45314    0.77656    0.62693   
 C14148   C    0.39257    0.72687    0.60858   
 C14149   C    0.39242    0.71040    0.63254   
 C14150   C    0.40555    0.70654    0.66716   
 C14151   C    0.37625    0.73042    0.58005   
 C14152   C    0.37760    0.69811    0.62612   
 C14153   C    0.36109    0.65335    0.67734   
 C14154   C    0.36208    0.66915    0.65037   
 C14155   C    0.34686    0.67468    0.62328   
 C14156   C    0.37620    0.65077    0.71023   
 C14157   C    0.37760    0.68088    0.65430   
 C14158   C    0.39254    0.66174    0.71506   
 C14159   C    0.39241    0.67724    0.68674   
 C14160   C    0.40554    0.69033    0.69366   
 C14161   C    0.36112    0.71848    0.57086   
 C14162   C    0.36210    0.70231    0.59617   
 C14163   C    0.34687    0.69089    0.59678   
 H14164   H    0.31458    0.61728    0.73902   
 H14165   H    0.32103    0.61901    0.58998   
 H14166   H    0.34640    0.64145    0.59785   
 H14167   H    0.34019    0.63951    0.74789   
 H14168   H    0.31536    0.75606    0.51325   
 H14169   H    0.32076    0.70653    0.44795   
 H14170   H    0.34691    0.69869    0.50340   
 H14171   H    0.34159    0.74855    0.56897   
 H14172   H    0.41500    0.78219    0.63345   
 H14173   H    0.45650    0.74212    0.61010   
 H14174   H    0.43019    0.72044    0.60561   
 H14175   H    0.38839    0.76077    0.62826   
 H14176   H    0.41424    0.64339    0.85917   
 H14177   H    0.45631    0.65498    0.75386   
 H14178   H    0.43021    0.66279    0.69823   
 H14179   H    0.38785    0.65102    0.80400   
 H14180   H    0.37603    0.74241    0.56157   
 H14181   H    0.33372    0.66784    0.62350   
 H14182   H    0.41547    0.71596    0.67852   
 H14183   H    0.37598    0.63915    0.73039   
 H14184   H    0.33373    0.69416    0.58048   
 H14185   H    0.41546    0.68964    0.72154   
 O14186   O    0.29502    0.59949    0.61874   
 O14187   O    0.29351    0.59784    0.69764   
 O14188   O    0.29258    0.75084    0.44983   
 O14189   O    0.29489    0.72452    0.41607   
 O14190   O    0.47048    0.77129    0.62469   
 O14191   O    0.44790    0.79217    0.63227   
 O14192   O    0.44762    0.64013    0.88445   
 O14193   O    0.46997    0.64674    0.82958   
 H14194   H    0.74548    0.70399    0.41881   
 H14195   H    0.76518    0.71115    0.47368   
 H14196   H    0.72289    0.70291    0.42669   
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 O14198   O    0.73265    0.70176    0.40269   
 H14199   H    0.77148    0.77037    0.44473   
 O14200   O    0.76597    0.76431    0.41850   
 H14201   H    0.76360    0.62443    0.62159   
 H14202   H    0.72398    0.61402    0.56503   
 H14203   H    0.75420    0.61280    0.58212   
 O14204   O    0.76663    0.61534    0.59958   
 O14205   O    0.73419    0.60587    0.55908   
 H14206   H    0.24572    0.70633    0.42933   
 H14207   H    0.27594    0.70018    0.42432   
 H14208   H    0.23629    0.71378    0.47557   
 O14209   O    0.26573    0.70205    0.40201   
 O14210   O    0.23327    0.71084    0.44351   
 H14211   H    0.29985    0.75136    0.35923   
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 H14213   H    0.27700    0.61356    0.57273   
 H14214   H    0.23469    0.62500    0.61442   
 H14215   H    0.25442    0.61047    0.57163   
 O14216   O    0.26723    0.60627    0.55880   
 O14217   O    0.23390    0.61434    0.59719   
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 Zr14219  Zr   0.77114    0.73504    0.41047   
 Zr14220  Zr   0.72839    0.58187    0.59098   
 Zr14221  Zr   0.26807    0.76446    0.41518   
 Zr14222  Zr   0.27153    0.72366    0.35929   
 Zr14223  Zr   0.22875    0.59325    0.64218   
 Zr14224  Zr   0.50032    0.78523    0.62426   
 O14225   O    0.74168    0.73956    0.40381   
 O14226   O    0.25704    0.73990    0.40535   
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 H14228   H    3.19907    -0.23273   0.40396   
 H14229   H    3.19013    -0.22334   0.35978   
 O14230   O    3.19999    -0.22205   0.38348   
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 C14237   C    2.83659    -0.42231   0.45781   
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 C14239   C    2.81757    -0.29892   0.33614   
 C14240   C    2.82680    -0.30577   0.37574   
 C14241   C    2.84093    -0.31841   0.37105   
 C14242   C    2.84643    -0.32457   0.32656   
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 C14244   C    2.80220    -0.42030   0.56066   
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 C14251   C    2.90306    -0.33556   0.20713   
 C14252   C    2.91823    -0.45213   0.37293   
 C14253   C    2.93754    -0.44694   0.37747   
 C14254   C    2.94166    -0.42947   0.38580   
 C14255   C    2.92682    -0.41740   0.38840   
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 C14259   C    2.95296    -0.32835   0.15618   
 C14260   C    2.86120    -0.33670   0.32268   
 C14261   C    2.86219    -0.35250   0.34967   
 C14262   C    2.84693    -0.35803   0.37676   
 C14263   C    2.87634    -0.33412   0.28978   
 C14264   C    2.87769    -0.36424   0.34573   
 C14265   C    2.89264    -0.41022   0.39144   
 C14266   C    2.89250    -0.39374   0.36751   
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 C14269   C    2.87768    -0.38147   0.37389   
 C14270   C    2.86116    -0.40184   0.42916   
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 C14273   C    2.89268    -0.34509   0.28496   
 C14274   C    2.89252    -0.36059   0.31331   
 C14275   C    2.90567    -0.37368   0.30637   
 H14276   H    2.81625    -0.43969   0.49042   
 H14277   H    2.82173    -0.39003   0.55495   
 H14278   H    2.84594    -0.38142   0.49528   
 H14279   H    2.84059    -0.43147   0.43068   
 H14280   H    2.81617    -0.29928   0.26111   
 H14281   H    2.82238    -0.30130   0.41022   
 H14282   H    2.84771    -0.32371   0.40224   
 H14283   H    2.84161    -0.32162   0.25218   
 H14284   H    2.91449    -0.32690   0.14074   
 H14285   H    2.95653    -0.33837   0.24620   
 H14286   H    2.93042    -0.34632   0.30173   
 H14287   H    2.88810    -0.33463   0.19583   
 H14288   H    2.91516    -0.46570   0.36682   
 H14289   H    2.95662    -0.42557   0.39015   
 H14290   H    2.93030    -0.40392   0.39464   
 H14291   H    2.88851    -0.44428   0.37198   
 H14292   H    2.87611    -0.32250   0.26964   
 H14293   H    2.91559    -0.39931   0.32150   
 H14294   H    2.83379    -0.35119   0.37653   
 H14295   H    2.87606    -0.42576   0.43845   
 H14296   H    2.91560    -0.37299   0.27847   
 H14297   H    2.83378    -0.37751   0.41956   
 O14298   O    2.79297    -0.28206   0.30260   
 O14299   O    2.79404    -0.43479   0.55435   
 O14300   O    2.79811    -0.40955   0.59282   
 O14301   O    2.79759    -0.28026   0.38073   
 O14302   O    2.97023    -0.33007   0.17048   
 O14303   O    2.94790    -0.32350   0.11555   
 O14304   O    2.94805    -0.47557   0.36778   
 O14305   O    2.97061    -0.45466   0.37535   
 C14306   C    3.17685    -0.42689   0.49115   
 C14307   C    3.18254    -0.41512   0.52586   
 C14308   C    3.17339    -0.39898   0.52793   
 C14309   C    3.15928    -0.39454   0.49541   
 C14310   C    3.15376    -0.40615   0.45981   
 C14311   C    3.16267    -0.42247   0.45882   
 C14312   C    3.17672    -0.30463   0.29092   
 C14313   C    3.18216    -0.29858   0.33532   
 C14314   C    3.17349    -0.30585   0.37511   
 C14315   C    3.15997    -0.31906   0.37060   
 C14316   C    3.15453    -0.32532   0.32624   
 C14317   C    3.16310    -0.31774   0.28649   
 C14318   C    3.19838    -0.41985   0.55889   
 C14319   C    3.19761    -0.28528   0.33971   
 C14320   C    3.08190    -0.33011   0.17764   
 C14321   C    3.06255    -0.33096   0.19205   
 C14322   C    3.05841    -0.33648   0.23774   
 C14323   C    3.07319    -0.34145   0.26788   
 C14324   C    3.09264    -0.34098   0.25340   
 C14325   C    3.09667    -0.33498   0.20793   
 C14326   C    3.08205    -0.45238   0.37782   
 C14327   C    3.06273    -0.44733   0.38337   
 C14328   C    3.05851    -0.42977   0.38984   
 C14329   C    3.07325    -0.41753   0.38996   
 C14330   C    3.09269    -0.42245   0.38405   
 C14331   C    3.09676    -0.44014   0.37833   
 C14332   C    3.04692    -0.32638   0.15833   
 C14333   C    3.04700    -0.46043   0.37988   
 C14334   C    3.10737    -0.34509   0.28496   
 C14335   C    3.10750    -0.36059   0.31328   
 C14336   C    3.09437    -0.37368   0.30636   
 C14337   C    3.12370    -0.33413   0.28977   
 C14338   C    3.12232    -0.36423   0.34574   
 C14339   C    3.13878    -0.40184   0.42916   
 C14340   C    3.13781    -0.38566   0.40385   
 C14341   C    3.15304    -0.37424   0.40325   
 C14342   C    3.12367    -0.41377   0.41999   
 C14343   C    3.12230    -0.38147   0.37389   
 C14344   C    3.10733    -0.41022   0.39144   
 C14345   C    3.10749    -0.39375   0.36748   
 C14346   C    3.09436    -0.38990   0.33286   
 C14347   C    3.13882    -0.33670   0.32268   
 C14348   C    3.13783    -0.35251   0.34965   
 C14349   C    3.15305    -0.35803   0.37675   
 H14350   H    3.18390    -0.43941   0.48980   
 H14351   H    3.17785    -0.38987   0.55484   
 H14352   H    3.15255    -0.38188   0.49733   
 H14353   H    3.15853    -0.43174   0.43204   
 H14354   H    3.18350    -0.29900   0.26026   
 H14355   H    3.17784    -0.30124   0.40947   
 H14356   H    3.15360    -0.32464   0.40193   
 H14357   H    3.15912    -0.32228   0.25179   
 H14358   H    3.08505    -0.32575   0.14233   
 H14359   H    3.04342    -0.33715   0.24879   
 H14360   H    3.06963    -0.34589   0.30293   
 H14361   H    3.11158    -0.33432   0.19600   
 H14362   H    3.08522    -0.46597   0.37270   
 H14363   H    3.04355    -0.42588   0.39374   
 H14364   H    3.06966    -0.40398   0.39450   
 H14365   H    3.11165    -0.44431   0.37389   
 H14366   H    3.16618    -0.37751   0.41955   
 H14367   H    3.12393    -0.32250   0.26964   
 H14368   H    3.12388    -0.42577   0.43845   
 H14369   H    3.08445    -0.37299   0.27848   
 H14370   H    3.16619    -0.35119   0.37652   
 H14371   H    3.08444    -0.39931   0.32151   
 O14372   O    3.20587    -0.28061   0.30205   
 O14373   O    3.20239    -0.40938   0.59167   
 O14374   O    3.20700    -0.43404   0.55091   
 O14375   O    3.20172    -0.27986   0.38052   
 O14376   O    3.05206    -0.47573   0.36970   
 O14377   O    3.02965    -0.32625   0.17321   
 O14378   O    3.05214    -0.32327   0.11651   
 O14379   O    3.02976    -0.45534   0.38633   
 H14380   H    2.76464    -0.41280   0.54810   
 O14381   O    2.76077    -0.41822   0.57700   
 H14382   H    2.80984    -0.25935   0.41878   
 H14383   H    2.80089    -0.24054   0.41691   
 H14384   H    2.81037    -0.22136   0.36728   
 O14385   O    2.79918    -0.22278   0.38692   
 O14386   O    2.79999    -0.25221   0.43288   
 H14387   H    2.70025    -0.47057   0.59446   
 H14388   H    2.69933    -0.44314   0.58199   
 H14389   H    2.70368    -0.43498   0.53231   
 O14390   O    2.70073    -0.43185   0.56425   
 O14391   O    2.70050    -0.46046   0.61402   
 H14392   H    2.76350    -0.29319   0.35061   
 O14393   O    2.75930    -0.28132   0.35067   
 H14394   H    3.23643    -0.41313   0.54662   
 O14395   O    3.24061    -0.41864   0.57513   
 H14396   H    3.23529    -0.29288   0.35199   
 O14397   O    3.23916    -0.28092   0.35249   
 Zr14398  Zr   2.77367    -0.40837   0.64655   
 Zr14399  Zr   2.72667    -0.27538   0.35203   
 Zr14400  Zr   3.27326    -0.42092   0.59009   
 Zr14401  Zr   3.22623    -0.26283   0.40848   
 Zr14402  Zr   3.00045    -0.46852   0.37567   
 Zr14403  Zr   3.03629    -0.49993   0.35006   
 O14404   O    2.73916    -0.44388   0.59934   
 O14405   O    3.22381    -0.43406   0.64351   
 C14406   C    2.75861    -0.62738   0.71385   
 C14407   C    2.74494    -0.61773   0.73898   
 C14408   C    2.73166    -0.60757   0.71415   
 C14409   C    2.73233    -0.60672   0.66550   
 C14410   C    2.74627    -0.61608   0.64001   
 C14411   C    2.75919    -0.62658   0.66519   
 C14412   C    2.75868    -0.50517   0.51337   
 C14413   C    2.74479    -0.50136   0.54765   
 C14414   C    2.73193    -0.51437   0.56163   
 C14415   C    2.73313    -0.53086   0.54241   
 C14416   C    2.74713    -0.53485   0.50827   
 C14417   C    2.75976    -0.52161   0.49396   
 C14418   C    2.74513    -0.61819   0.79122   
 C14419   C    2.74454    -0.48402   0.57024   
 C14420   C    2.75996    -0.67761   0.48469   
 C14421   C    2.74667    -0.68131   0.44899   
 C14422   C    2.73318    -0.66866   0.43608   
 C14423   C    2.73327    -0.65257   0.45774   
 C14424   C    2.74686    -0.64858   0.49279   
 C14425   C    2.75998    -0.66152   0.50630   
 C14426   C    2.76003    -0.55709   0.28590   
 C14427   C    2.74639    -0.56682   0.26094   
 C14428   C    2.73304    -0.57691   0.28579   
 C14429   C    2.73362    -0.57759   0.33445   
 C14430   C    2.74752    -0.56812   0.35978   
 C14431   C    2.76050    -0.55768   0.33458   
 C14432   C    2.74637    -0.56633   0.20874   
 C14433   C    2.74704    -0.69826   0.42444   
 C14434   C    2.74614    -0.56749   0.40905   
 C14435   C    2.74529    -0.58318   0.43657   
 C14436   C    2.74738    -0.59922   0.41637   
 C14437   C    2.74733    -0.55186   0.43490   
 C14438   C    2.74458    -0.58306   0.48593   
 C14439   C    2.74608    -0.61586   0.59098   
 C14440   C    2.74524    -0.60017   0.56348   
 C14441   C    2.74733    -0.58413   0.58366   
 C14442   C    2.74731    -0.63150   0.56512   
 C14443   C    2.74457    -0.60029   0.51409   
 C14444   C    2.74611    -0.63263   0.51553   
 C14445   C    2.74527    -0.61633   0.49077   
 C14446   C    2.74737    -0.61543   0.44287   
 C14447   C    2.74611    -0.55072   0.48449   
 C14448   C    2.74526    -0.56701   0.50928   
 C14449   C    2.74733    -0.56792   0.55716   
 H14450   H    2.76880    -0.63529   0.73316   
 H14451   H    2.72111    -0.60010   0.73372   
 H14452   H    2.72207    -0.59859   0.64704   
 H14453   H    2.76995    -0.63409   0.64635   
 H14454   H    2.76864    -0.49507   0.50279   
 H14455   H    2.72128    -0.51144   0.58843   
 H14456   H    2.72317    -0.54080   0.55412   
 H14457   H    2.77066    -0.52431   0.46752   
 H14458   H    2.77027    -0.68752   0.49472   
 H14459   H    2.72274    -0.67166   0.40895   
 H14460   H    2.72277    -0.64288   0.44714   
 H14461   H    2.77047    -0.65885   0.53377   
 H14462   H    2.77022    -0.54921   0.26643   
 H14463   H    2.72228    -0.58417   0.26632   
 H14464   H    2.72323    -0.58554   0.35307   
 H14465   H    2.77123    -0.55014   0.35338   
 H14466   H    2.75054    -0.58303   0.61957   
 H14467   H    2.74780    -0.54004   0.41560   
 H14468   H    2.74775    -0.64331   0.58442   
 H14469   H    2.75062    -0.60032   0.38045   
 H14470   H    2.75055    -0.55671   0.57655   
 H14471   H    2.75061    -0.62664   0.42347   
 O14472   O    2.75784    -0.47360   0.55843   
 O14473   O    2.73187    -0.61020   0.81288   
 O14474   O    2.75898    -0.62639   0.81018   
 O14475   O    2.73140    -0.48100   0.60023   
 O14476   O    2.73491    -0.70064   0.39169   
 O14477   O    2.75957    -0.70908   0.43823   
 O14478   O    2.75843    -0.55621   0.18958   
 O14479   O    2.73439    -0.57594   0.18735   
 C14480   C    3.23996    -0.67751   0.48268   
 C14481   C    3.25361    -0.68115   0.44779   
 C14482   C    3.26696    -0.66835   0.43518   
 C14483   C    3.26639    -0.65214   0.45622   
 C14484   C    3.25251    -0.64826   0.49073   
 C14485   C    3.23948    -0.66135   0.50395   
 C14486   C    3.24015    -0.55642   0.28673   
 C14487   C    3.25339    -0.56641   0.26127   
 C14488   C    3.26689    -0.57649   0.28558   
 C14489   C    3.26684    -0.57690   0.33428   
 C14490   C    3.25328    -0.56728   0.36016   
 C14491   C    3.24014    -0.55685   0.33543   
 C14492   C    3.25299    -0.56656   0.20916   
 C14493   C    3.25366    -0.69843   0.42473   
 C14494   C    3.24099    -0.62752   0.71400   
 C14495   C    3.25488    -0.61819   0.73915   
 C14496   C    3.26772    -0.60748   0.71472   
 C14497   C    3.26653    -0.60598   0.66618   
 C14498   C    3.25259    -0.61526   0.64057   
 C14499   C    3.23992    -0.62613   0.66548   
 C14500   C    3.24127    -0.50529   0.51386   
 C14501   C    3.25492    -0.50164   0.54878   
 C14502   C    3.26822    -0.51449   0.56138   
 C14503   C    3.26752    -0.53072   0.54052   
 C14504   C    3.25360    -0.53464   0.50615   
 C14505   C    3.24067    -0.52149   0.49279   
 C14506   C    3.25520    -0.61903   0.79125   
 C14507   C    3.25469    -0.48444   0.57235   
 C14508   C    3.25380    -0.55072   0.48449   
 C14509   C    3.25464    -0.56702   0.50926   
 C14510   C    3.25254    -0.56792   0.55715   
 C14511   C    3.25261    -0.55185   0.43492   
 C14512   C    3.25534    -0.58306   0.48593   
 C14513   C    3.25380    -0.63263   0.51553   
 C14514   C    3.25465    -0.61634   0.49074   
 C14515   C    3.25257    -0.61544   0.44286   
 C14516   C    3.25256    -0.63150   0.56510   
 C14517   C    3.25533    -0.60029   0.51410   
 C14518   C    3.25377    -0.61586   0.59097   
 C14519   C    3.25462    -0.60017   0.56346   
 C14520   C    3.25253    -0.58413   0.58366   
 C14521   C    3.25383    -0.56750   0.40905   
 C14522   C    3.25466    -0.58319   0.43654   
 C14523   C    3.25258    -0.59922   0.41636   
 H14524   H    3.22977    -0.68754   0.49252   
 H14525   H    3.27773    -0.67130   0.40870   
 H14526   H    3.27679    -0.64235   0.44584   
 H14527   H    3.22876    -0.65876   0.53082   
 H14528   H    3.22985    -0.54855   0.26761   
 H14529   H    3.27729    -0.58399   0.26571   
 H14530   H    3.27734    -0.58485   0.35256   
 H14531   H    3.22969    -0.54912   0.35458   
 H14532   H    3.23103    -0.63573   0.73312   
 H14533   H    3.27836    -0.60013   0.73437   
 H14534   H    3.27651    -0.59749   0.64789   
 H14535   H    3.22904    -0.63346   0.64660   
 H14536   H    3.23110    -0.49527   0.50399   
 H14537   H    3.27880    -0.51167   0.58846   
 H14538   H    3.27780    -0.54057   0.55129   
 H14539   H    3.22991    -0.52408   0.46597   
 H14540   H    3.25215    -0.54004   0.41561   
 H14541   H    3.24935    -0.62664   0.42348   
 H14542   H    3.24930    -0.55671   0.57655   
 H14543   H    3.25210    -0.64331   0.58442   
 H14544   H    3.24937    -0.60032   0.38045   
 H14545   H    3.24929    -0.58303   0.61958   
 O14546   O    3.26568    -0.70097   0.39182   
 O14547   O    3.24160    -0.70943   0.44009   
 O14548   O    3.24048    -0.55702   0.18961   
 O14549   O    3.26511    -0.57615   0.18820   
 O14550   O    3.24081    -0.47445   0.56169   
 O14551   O    3.24193    -0.62781   0.81063   
 O14552   O    3.26837    -0.61070   0.81251   
 O14553   O    3.26790    -0.48111   0.60178   
 H14554   H    3.20015    -0.74770   0.35749   
 O14555   O    3.21396    -0.74830   0.35391   
 H14556   H    2.72848    -0.72867   0.44307   
 O14557   O    2.73400    -0.73443   0.41632   
 H14558   H    3.29613    -0.47098   0.59131   
 H14559   H    3.30049    -0.45094   0.59497   
 H14560   H    3.29964    -0.43406   0.53500   
 O14561   O    3.29935    -0.43242   0.56843   
 O14562   O    3.29909    -0.46201   0.61371   
 H14563   H    2.97166    -0.48146   0.43649   
 O14564   O    2.97996    -0.48676   0.41354   
 H14565   H    3.02820    -0.53199   0.40049   
 O14566   O    3.02014    -0.52339   0.38587   
 H14567   H    3.01355    -0.69358   0.49320   
 H14568   H    3.00024    -0.70646   0.52176   
 H14569   H    3.01056    -0.73092   0.54766   
 O14570   O    2.99966    -0.72361   0.55448   
 O14571   O    3.00074    -0.69467   0.50627   
 H14572   H    3.01072    -0.45241   0.45223   
 H14573   H    3.00034    -0.47683   0.47822   
 H14574   H    3.01362    -0.48969   0.50677   
 O14575   O    3.00080    -0.48861   0.49372   
 O14576   O    2.99980    -0.45968   0.44542   
 H14577   H    2.99968    -0.63607   0.58692   
 H14578   H    2.98918    -0.64569   0.52100   
 H14579   H    2.98651    -0.62546   0.62188   
 O14580   O    3.00017    -0.64819   0.54051   
 O14581   O    2.99929    -0.63033   0.61884   
 H14582   H    2.97154    -0.70189   0.56352   
 O14583   O    2.97984    -0.69658   0.58640   
 H14584   H    3.02814    -0.65128   0.59942   
 O14585   O    3.02007    -0.65988   0.61404   
 H14586   H    2.98658    -0.55785   0.37809   
 H14587   H    2.98926    -0.53760   0.47895   
 H14588   H    2.99976    -0.54723   0.41305   
 O14589   O    2.99937    -0.55298   0.38116   
 O14590   O    3.00026    -0.53510   0.45946   
 Zr14591  Zr   2.76807    -0.44793   0.58473   
 Zr14592  Zr   3.23176    -0.44794   0.58469   
 Zr14593  Zr   2.96384    -0.50000   0.35013   
 Zr14594  Zr   2.99954    -0.67392   0.56467   
 Zr14595  Zr   2.99961    -0.50939   0.43528   
 O14596   O    2.77600    -0.43516   0.64542   
 O14597   O    3.24296    -0.72729   0.35172   
 O14598   O    3.26069    -0.44499   0.60121   
 O14599   O    2.75833    -0.72763   0.35019   
 O14600   O    3.01523    -0.69258   0.60470   
 O14601   O    2.98456    -0.66661   0.62456   
 O14602   O    2.98463    -0.51674   0.37541   
 O14603   O    3.01534    -0.49069   0.39520   
 C14604   C    3.17754    -0.87761   0.70953   
 C14605   C    3.18368    -0.88322   0.66524   
 C14606   C    3.17455    -0.87661   0.62522   
 C14607   C    3.15992    -0.86439   0.62943   
 C14608   C    3.15401    -0.85835   0.67368   
 C14609   C    3.16291    -0.86542   0.71363   
 C14610   C    3.17816    -0.75695   0.51140   
 C14611   C    3.18383    -0.76880   0.47691   
 C14612   C    3.17461    -0.78491   0.47468   
 C14613   C    3.16035    -0.78922   0.50699   
 C14614   C    3.15482    -0.77754   0.54230   
 C14615   C    3.16380    -0.76124   0.54345   
 C14616   C    3.19953    -0.76412   0.44354   
 C14617   C    3.19984    -0.89575   0.66056   
 C14618   C    3.08181    -0.73094   0.62282   
 C14619   C    3.06249    -0.73595   0.61713   
 C14620   C    3.05819    -0.75349   0.61084   
 C14621   C    3.07288    -0.76578   0.61087   
 C14622   C    3.09232    -0.76089   0.61672   
 C14623   C    3.09648    -0.74321   0.62242   
 C14624   C    3.08173    -0.85334   0.82223   
 C14625   C    3.06240    -0.85245   0.80772   
 C14626   C    3.05834    -0.84698   0.76191   
 C14627   C    3.07318    -0.84206   0.73191   
 C14628   C    3.09260    -0.84253   0.74651   
 C14629   C    3.09658    -0.84853   0.79205   
 C14630   C    3.04682    -0.72283   0.62023   
 C14631   C    3.04669    -0.85691   0.84141   
 C14632   C    3.13874    -0.78152   0.57086   
 C14633   C    3.13774    -0.79770   0.59615   
 C14634   C    3.15299    -0.80911   0.59676   
 C14635   C    3.12361    -0.76958   0.58004   
 C14636   C    3.12223    -0.80189   0.62613   
 C14637   C    3.10723    -0.83826   0.71506   
 C14638   C    3.10739    -0.82276   0.68671   
 C14639   C    3.09424    -0.80967   0.69365   
 C14640   C    3.12357    -0.84923   0.71024   
 C14641   C    3.12222    -0.81912   0.65430   
 C14642   C    3.13871    -0.84665   0.67734   
 C14643   C    3.13772    -0.83085   0.65035   
 C14644   C    3.15298    -0.82532   0.62326   
 C14645   C    3.10726    -0.77313   0.60858   
 C14646   C    3.10740    -0.78961   0.63251   
 C14647   C    3.09425    -0.79346   0.66715   
 H14648   H    3.18458    -0.88290   0.74036   
 H14649   H    3.17913    -0.88117   0.59107   
 H14650   H    3.15306    -0.85933   0.59803   
 H14651   H    3.15842    -0.86117   0.74823   
 H14652   H    3.18527    -0.74446   0.51265   
 H14653   H    3.17880    -0.79391   0.44739   
 H14654   H    3.15343    -0.80179   0.50485   
 H14655   H    3.15964    -0.75195   0.57009   
 H14656   H    3.08502    -0.71735   0.62791   
 H14657   H    3.04320    -0.75734   0.60691   
 H14658   H    3.06925    -0.77934   0.60637   
 H14659   H    3.11135    -0.73907   0.62694   
 H14660   H    3.08481    -0.85769   0.85758   
 H14661   H    3.04336    -0.84628   0.75067   
 H14662   H    3.06970    -0.83763   0.69678   
 H14663   H    3.11144    -0.84923   0.80410   
 H14664   H    3.12385    -0.75759   0.56157   
 H14665   H    3.08431    -0.81036   0.72155   
 H14666   H    3.16613    -0.80584   0.58047   
 H14667   H    3.12380    -0.86085   0.73038   
 H14668   H    3.08432    -0.78404   0.67852   
 H14669   H    3.16612    -0.83216   0.62349   
 O14670   O    3.20498    -0.90000   0.61941   
 O14671   O    3.20729    -0.90125   0.69831   
 O14672   O    3.20639    -0.74897   0.44700   
 O14673   O    3.20490    -0.77550   0.41422   
 O14674   O    3.05189    -0.85997   0.88328   
 O14675   O    3.05191    -0.70752   0.63024   
 O14676   O    3.02957    -0.72789   0.61366   
 O14677   O    3.02943    -0.85701   0.82655   
 C14678   C    2.82168    -0.87730   0.70848   
 C14679   C    2.81601    -0.88308   0.66399   
 C14680   C    2.82522    -0.87628   0.62436   
 C14681   C    2.83949    -0.86372   0.62899   
 C14682   C    2.84505    -0.85762   0.67349   
 C14683   C    2.83603    -0.86484   0.71313   
 C14684   C    2.82241    -0.75643   0.51156   
 C14685   C    2.81625    -0.76831   0.47761   
 C14686   C    2.82539    -0.78443   0.47474   
 C14687   C    2.84006    -0.78874   0.50591   
 C14688   C    2.84600    -0.77708   0.54096   
 C14689   C    2.83709    -0.76077   0.54266   
 C14690   C    2.80006    -0.76403   0.44540   
 C14691   C    2.80034    -0.89619   0.65967   
 C14692   C    2.91809    -0.73138   0.62736   
 C14693   C    2.93741    -0.73651   0.62278   
 C14694   C    2.94154    -0.75397   0.61446   
 C14695   C    2.92671    -0.76608   0.61186   
 C14696   C    2.90727    -0.76108   0.61726   
 C14697   C    2.90327    -0.74346   0.62443   
 C14698   C    2.91749    -0.85234   0.82385   
 C14699   C    2.93689    -0.85106   0.81018   
 C14700   C    2.94128    -0.84574   0.76446   
 C14701   C    2.92657    -0.84140   0.73345   
 C14702   C    2.90705    -0.84221   0.74717   
 C14703   C    2.90281    -0.84802   0.79271   
 C14704   C    2.95270    -0.85502   0.84384   
 C14705   C    2.95314    -0.72344   0.62693   
 C14706   C    2.89257    -0.77313   0.60858   
 C14707   C    2.89242    -0.78960   0.63254   
 C14708   C    2.90555    -0.79346   0.66716   
 C14709   C    2.87625    -0.76958   0.58005   
 C14710   C    2.87760    -0.80189   0.62612   
 C14711   C    2.86109    -0.84665   0.67734   
 C14712   C    2.86208    -0.83085   0.65037   
 C14713   C    2.84686    -0.82532   0.62328   
 C14714   C    2.87620    -0.84923   0.71023   
 C14715   C    2.87760    -0.81912   0.65430   
 C14716   C    2.89254    -0.83826   0.71506   
 C14717   C    2.89241    -0.82276   0.68674   
 C14718   C    2.90554    -0.80967   0.69366   
 C14719   C    2.86112    -0.78152   0.57086   
 C14720   C    2.86210    -0.79769   0.59617   
 C14721   C    2.84687    -0.80911   0.59678   
 H14722   H    2.81458    -0.88272   0.73902   
 H14723   H    2.82103    -0.88099   0.58998   
 H14724   H    2.84640    -0.85855   0.59785   
 H14725   H    2.84019    -0.86049   0.74789   
 H14726   H    2.81536    -0.74394   0.51325   
 H14727   H    2.82076    -0.79347   0.44795   
 H14728   H    2.84691    -0.80131   0.50340   
 H14729   H    2.84159    -0.75145   0.56897   
 H14730   H    2.91500    -0.71781   0.63345   
 H14731   H    2.95650    -0.75788   0.61010   
 H14732   H    2.93019    -0.77956   0.60561   
 H14733   H    2.88839    -0.73923   0.62826   
 H14734   H    2.91424    -0.85661   0.85917   
 H14735   H    2.95631    -0.84502   0.75386   
 H14736   H    2.93021    -0.83721   0.69823   
 H14737   H    2.88785    -0.84898   0.80400   
 H14738   H    2.87603    -0.75759   0.56157   
 H14739   H    2.83372    -0.83216   0.62350   
 H14740   H    2.91547    -0.78404   0.67852   
 H14741   H    2.87598    -0.86085   0.73039   
 H14742   H    2.83373    -0.80584   0.58048   
 H14743   H    2.91546    -0.81036   0.72154   
 O14744   O    2.79502    -0.90051   0.61874   
 O14745   O    2.79351    -0.90216   0.69764   
 O14746   O    2.79258    -0.74916   0.44983   
 O14747   O    2.79489    -0.77548   0.41607   
 O14748   O    2.97048    -0.72871   0.62469   
 O14749   O    2.94790    -0.70783   0.63227   
 O14750   O    2.94762    -0.85987   0.88445   
 O14751   O    2.96997    -0.85326   0.82958   
 H14752   H    3.24548    -0.79601   0.41881   
 H14753   H    3.26518    -0.78885   0.47368   
 H14754   H    3.22289    -0.79709   0.42669   
 O14755   O    3.26597    -0.78949   0.44005   
 O14756   O    3.23265    -0.79824   0.40269   
 H14757   H    3.27148    -0.72963   0.44473   
 O14758   O    3.26597    -0.73569   0.41850   
 H14759   H    3.26360    -0.87557   0.62159   
 H14760   H    3.22398    -0.88598   0.56503   
 H14761   H    3.25420    -0.88720   0.58212   
 O14762   O    3.26663    -0.88466   0.59958   
 O14763   O    3.23419    -0.89413   0.55908   
 H14764   H    2.74572    -0.79367   0.42933   
 H14765   H    2.77594    -0.79982   0.42432   
 H14766   H    2.73629    -0.78622   0.47557   
 O14767   O    2.76573    -0.79795   0.40201   
 O14768   O    2.73327    -0.78916   0.44351   
 H14769   H    2.79985    -0.74864   0.35923   
 O14770   O    2.78605    -0.74956   0.35614   
 H14771   H    2.77700    -0.88644   0.57273   
 H14772   H    2.73469    -0.87500   0.61442   
 H14773   H    2.75442    -0.88953   0.57163   
 O14774   O    2.76723    -0.89373   0.55880   
 O14775   O    2.73390    -0.88566   0.59719   
 Zr14776  Zr   3.23191    -0.73555   0.41514   
 Zr14777  Zr   3.27114    -0.76496   0.41047   
 Zr14778  Zr   3.22839    -0.91813   0.59098   
 Zr14779  Zr   2.76807    -0.73554   0.41518   
 Zr14780  Zr   2.77153    -0.77634   0.35929   
 Zr14781  Zr   2.72875    -0.90675   0.64218   
 Zr14782  Zr   3.00032    -0.71477   0.62426   
 O14783   O    3.24168    -0.76044   0.40381   
 O14784   O    2.75704    -0.76010   0.40535   
 H14785   H    2.68962    0.24211    0.42663   
 H14786   H    2.69907    0.26727    0.40396   
 H14787   H    2.69013    0.27666    0.35978   
 O14788   O    2.69999    0.27795    0.38348   
 O14789   O    2.70078    0.24918    0.43253   
 C14790   C    2.32298    0.07295    0.49128   
 C14791   C    2.31757    0.08455    0.52662   
 C14792   C    2.32611    0.10096    0.52778   
 C14793   C    2.33961    0.10574    0.49402   
 C14794   C    2.34511    0.09421    0.45830   
 C14795   C    2.33659    0.07769    0.45781   
 C14796   C    2.32324    0.19530    0.29164   
 C14797   C    2.31757    0.20108    0.33614   
 C14798   C    2.32680    0.19423    0.37574   
 C14799   C    2.34093    0.18159    0.37105   
 C14800   C    2.34643    0.17543    0.32656   
 C14801   C    2.33749    0.18275    0.28699   
 C14802   C    2.30220    0.07970    0.56066   
 C14803   C    2.30164    0.21397    0.34032   
 C14804   C    2.41774    0.16882    0.17610   
 C14805   C    2.43716    0.16763    0.18978   
 C14806   C    2.44151    0.16229    0.23553   
 C14807   C    2.42679    0.15789    0.26648   
 C14808   C    2.40728    0.15862    0.25268   
 C14809   C    2.40306    0.16444    0.20713   
 C14810   C    2.41823    0.04787    0.37293   
 C14811   C    2.43754    0.05306    0.37747   
 C14812   C    2.44166    0.07053    0.38580   
 C14813   C    2.42682    0.08260    0.38840   
 C14814   C    2.40740    0.07756    0.38295   
 C14815   C    2.40340    0.05993    0.37583   
 C14816   C    2.45327    0.04002    0.37321   
 C14817   C    2.45296    0.17165    0.15618   
 C14818   C    2.36120    0.16330    0.32268   
 C14819   C    2.36219    0.14750    0.34967   
 C14820   C    2.34693    0.14197    0.37676   
 C14821   C    2.37634    0.16588    0.28978   
 C14822   C    2.37769    0.13576    0.34573   
 C14823   C    2.39264    0.08978    0.39144   
 C14824   C    2.39250    0.10626    0.36751   
 C14825   C    2.40566    0.11011    0.33287   
 C14826   C    2.37630    0.08623    0.41998   
 C14827   C    2.37768    0.11853    0.37389   
 C14828   C    2.36116    0.09816    0.42916   
 C14829   C    2.36217    0.11434    0.40387   
 C14830   C    2.34692    0.12576    0.40327   
 C14831   C    2.39268    0.15491    0.28496   
 C14832   C    2.39252    0.13941    0.31331   
 C14833   C    2.40567    0.12632    0.30637   
 H14834   H    2.31625    0.06031    0.49042   
 H14835   H    2.32173    0.10997    0.55495   
 H14836   H    2.34594    0.11858    0.49528   
 H14837   H    2.34059    0.06853    0.43068   
 H14838   H    2.31617    0.20072    0.26111   
 H14839   H    2.32238    0.19870    0.41022   
 H14840   H    2.34771    0.17629    0.40224   
 H14841   H    2.34161    0.17838    0.25218   
 H14842   H    2.41449    0.17310    0.14074   
 H14843   H    2.45653    0.16163    0.24620   
 H14844   H    2.43042    0.15368    0.30173   
 H14845   H    2.38810    0.16537    0.19583   
 H14846   H    2.41516    0.03430    0.36682   
 H14847   H    2.45662    0.07443    0.39015   
 H14848   H    2.43030    0.09608    0.39464   
 H14849   H    2.38851    0.05572    0.37198   
 H14850   H    2.37611    0.17750    0.26964   
 H14851   H    2.41559    0.10069    0.32150   
 H14852   H    2.33379    0.14881    0.37653   
 H14853   H    2.37606    0.07424    0.43845   
 H14854   H    2.41560    0.12701    0.27847   
 H14855   H    2.33378    0.12249    0.41956   
 O14856   O    2.29297    0.21794    0.30260   
 O14857   O    2.29404    0.06521    0.55435   
 O14858   O    2.29811    0.09045    0.59282   
 O14859   O    2.29759    0.21974    0.38073   
 O14860   O    2.47023    0.16993    0.17048   
 O14861   O    2.44790    0.17650    0.11555   
 O14862   O    2.44805    0.02443    0.36778   
 O14863   O    2.47061    0.04534    0.37535   
 C14864   C    2.67685    0.07311    0.49115   
 C14865   C    2.68254    0.08488    0.52586   
 C14866   C    2.67339    0.10102    0.52793   
 C14867   C    2.65928    0.10546    0.49541   
 C14868   C    2.65376    0.09385    0.45981   
 C14869   C    2.66267    0.07753    0.45882   
 C14870   C    2.67672    0.19537    0.29092   
 C14871   C    2.68216    0.20142    0.33532   
 C14872   C    2.67349    0.19415    0.37511   
 C14873   C    2.65997    0.18094    0.37060   
 C14874   C    2.65453    0.17468    0.32624   
 C14875   C    2.66310    0.18226    0.28649   
 C14876   C    2.69838    0.08015    0.55889   
 C14877   C    2.69761    0.21472    0.33971   
 C14878   C    2.58190    0.16989    0.17764   
 C14879   C    2.56255    0.16904    0.19205   
 C14880   C    2.55841    0.16352    0.23774   
 C14881   C    2.57319    0.15855    0.26788   
 C14882   C    2.59264    0.15902    0.25340   
 C14883   C    2.59667    0.16502    0.20793   
 C14884   C    2.58205    0.04762    0.37782   
 C14885   C    2.56273    0.05267    0.38337   
 C14886   C    2.55851    0.07023    0.38984   
 C14887   C    2.57325    0.08247    0.38996   
 C14888   C    2.59269    0.07755    0.38405   
 C14889   C    2.59676    0.05986    0.37833   
 C14890   C    2.54692    0.17362    0.15833   
 C14891   C    2.54700    0.03957    0.37988   
 C14892   C    2.60737    0.15491    0.28496   
 C14893   C    2.60750    0.13941    0.31328   
 C14894   C    2.59437    0.12632    0.30636   
 C14895   C    2.62370    0.16587    0.28977   
 C14896   C    2.62232    0.13577    0.34574   
 C14897   C    2.63878    0.09816    0.42916   
 C14898   C    2.63781    0.11434    0.40385   
 C14899   C    2.65304    0.12576    0.40325   
 C14900   C    2.62367    0.08623    0.41999   
 C14901   C    2.62230    0.11853    0.37389   
 C14902   C    2.60733    0.08978    0.39144   
 C14903   C    2.60749    0.10625    0.36748   
 C14904   C    2.59436    0.11010    0.33286   
 C14905   C    2.63882    0.16330    0.32268   
 C14906   C    2.63783    0.14749    0.34965   
 C14907   C    2.65305    0.14197    0.37675   
 H14908   H    2.68390    0.06059    0.48980   
 H14909   H    2.67785    0.11013    0.55484   
 H14910   H    2.65255    0.11812    0.49733   
 H14911   H    2.65853    0.06826    0.43204   
 H14912   H    2.68350    0.20100    0.26026   
 H14913   H    2.67784    0.19876    0.40947   
 H14914   H    2.65360    0.17536    0.40193   
 H14915   H    2.65912    0.17772    0.25179   
 H14916   H    2.58505    0.17425    0.14233   
 H14917   H    2.54342    0.16285    0.24879   
 H14918   H    2.56963    0.15411    0.30293   
 H14919   H    2.61158    0.16568    0.19600   
 H14920   H    2.58522    0.03403    0.37270   
 H14921   H    2.54355    0.07412    0.39374   
 H14922   H    2.56966    0.09602    0.39450   
 H14923   H    2.61165    0.05569    0.37389   
 H14924   H    2.66618    0.12249    0.41955   
 H14925   H    2.62393    0.17750    0.26964   
 H14926   H    2.62388    0.07423    0.43845   
 H14927   H    2.58445    0.12701    0.27848   
 H14928   H    2.66619    0.14881    0.37652   
 H14929   H    2.58444    0.10069    0.32151   
 O14930   O    2.70587    0.21939    0.30205   
 O14931   O    2.70239    0.09062    0.59167   
 O14932   O    2.70700    0.06596    0.55091   
 O14933   O    2.70172    0.22014    0.38052   
 O14934   O    2.55206    0.02427    0.36970   
 O14935   O    2.52965    0.17375    0.17321   
 O14936   O    2.55214    0.17673    0.11651   
 O14937   O    2.52976    0.04466    0.38633   
 H14938   H    2.26464    0.08720    0.54810   
 O14939   O    2.26077    0.08178    0.57700   
 H14940   H    2.30984    0.24065    0.41878   
 H14941   H    2.30089    0.25946    0.41691   
 H14942   H    2.31037    0.27864    0.36728   
 O14943   O    2.29918    0.27722    0.38692   
 O14944   O    2.29999    0.24779    0.43288   
 H14945   H    2.20025    0.02943    0.59446   
 H14946   H    2.19933    0.05686    0.58199   
 H14947   H    2.20368    0.06502    0.53231   
 O14948   O    2.20073    0.06815    0.56425   
 O14949   O    2.20050    0.03954    0.61402   
 H14950   H    2.26350    0.20681    0.35061   
 O14951   O    2.25930    0.21868    0.35067   
 H14952   H    2.73643    0.08687    0.54662   
 O14953   O    2.74061    0.08136    0.57513   
 H14954   H    2.73529    0.20712    0.35199   
 O14955   O    2.73916    0.21908    0.35249   
 Zr14956  Zr   2.27367    0.09163    0.64655   
 Zr14957  Zr   2.22667    0.22462    0.35203   
 Zr14958  Zr   2.77326    0.07908    0.59009   
 Zr14959  Zr   2.72623    0.23717    0.40848   
 Zr14960  Zr   2.50045    0.03148    0.37567   
 Zr14961  Zr   2.53629    0.00007    0.35006   
 O14962   O    2.23916    0.05612    0.59934   
 O14963   O    2.72381    0.06594    0.64351   
 C14964   C    2.25861    -0.12738   0.71385   
 C14965   C    2.24494    -0.11773   0.73898   
 C14966   C    2.23166    -0.10757   0.71415   
 C14967   C    2.23233    -0.10672   0.66550   
 C14968   C    2.24627    -0.11608   0.64001   
 C14969   C    2.25919    -0.12658   0.66519   
 C14970   C    2.25868    -0.00517   0.51337   
 C14971   C    2.24479    -0.00136   0.54765   
 C14972   C    2.23193    -0.01437   0.56163   
 C14973   C    2.23313    -0.03086   0.54241   
 C14974   C    2.24713    -0.03485   0.50827   
 C14975   C    2.25976    -0.02161   0.49396   
 C14976   C    2.24513    -0.11819   0.79122   
 C14977   C    2.24454    0.01598    0.57024   
 C14978   C    2.25996    -0.17761   0.48469   
 C14979   C    2.24667    -0.18131   0.44899   
 C14980   C    2.23318    -0.16866   0.43608   
 C14981   C    2.23327    -0.15257   0.45774   
 C14982   C    2.24686    -0.14858   0.49279   
 C14983   C    2.25998    -0.16152   0.50630   
 C14984   C    2.26003    -0.05709   0.28590   
 C14985   C    2.24639    -0.06682   0.26094   
 C14986   C    2.23304    -0.07691   0.28579   
 C14987   C    2.23362    -0.07759   0.33445   
 C14988   C    2.24752    -0.06812   0.35978   
 C14989   C    2.26050    -0.05768   0.33458   
 C14990   C    2.24637    -0.06633   0.20874   
 C14991   C    2.24704    -0.19826   0.42444   
 C14992   C    2.24614    -0.06749   0.40905   
 C14993   C    2.24529    -0.08318   0.43657   
 C14994   C    2.24738    -0.09922   0.41637   
 C14995   C    2.24733    -0.05186   0.43490   
 C14996   C    2.24458    -0.08306   0.48593   
 C14997   C    2.24608    -0.11586   0.59098   
 C14998   C    2.24524    -0.10017   0.56348   
 C14999   C    2.24733    -0.08413   0.58366   
 C15000   C    2.24731    -0.13150   0.56512   
 C15001   C    2.24457    -0.10029   0.51409   
 C15002   C    2.24611    -0.13263   0.51553   
 C15003   C    2.24527    -0.11633   0.49077   
 C15004   C    2.24737    -0.11543   0.44287   
 C15005   C    2.24611    -0.05072   0.48449   
 C15006   C    2.24526    -0.06701   0.50928   
 C15007   C    2.24733    -0.06792   0.55716   
 H15008   H    2.26880    -0.13529   0.73316   
 H15009   H    2.22111    -0.10010   0.73372   
 H15010   H    2.22207    -0.09859   0.64704   
 H15011   H    2.26995    -0.13409   0.64635   
 H15012   H    2.26864    0.00493    0.50279   
 H15013   H    2.22128    -0.01144   0.58843   
 H15014   H    2.22317    -0.04080   0.55412   
 H15015   H    2.27066    -0.02431   0.46752   
 H15016   H    2.27027    -0.18752   0.49472   
 H15017   H    2.22274    -0.17166   0.40895   
 H15018   H    2.22277    -0.14288   0.44714   
 H15019   H    2.27047    -0.15885   0.53377   
 H15020   H    2.27022    -0.04921   0.26643   
 H15021   H    2.22228    -0.08417   0.26632   
 H15022   H    2.22323    -0.08554   0.35307   
 H15023   H    2.27123    -0.05014   0.35338   
 H15024   H    2.25054    -0.08303   0.61957   
 H15025   H    2.24780    -0.04004   0.41560   
 H15026   H    2.24775    -0.14331   0.58442   
 H15027   H    2.25062    -0.10032   0.38045   
 H15028   H    2.25055    -0.05671   0.57655   
 H15029   H    2.25061    -0.12664   0.42347   
 O15030   O    2.25784    0.02640    0.55843   
 O15031   O    2.23187    -0.11020   0.81288   
 O15032   O    2.25898    -0.12639   0.81018   
 O15033   O    2.23140    0.01900    0.60023   
 O15034   O    2.23491    -0.20064   0.39169   
 O15035   O    2.25957    -0.20908   0.43823   
 O15036   O    2.25843    -0.05621   0.18958   
 O15037   O    2.23439    -0.07594   0.18735   
 C15038   C    2.73996    -0.17751   0.48268   
 C15039   C    2.75361    -0.18115   0.44779   
 C15040   C    2.76696    -0.16835   0.43518   
 C15041   C    2.76639    -0.15214   0.45622   
 C15042   C    2.75251    -0.14826   0.49073   
 C15043   C    2.73948    -0.16135   0.50395   
 C15044   C    2.74015    -0.05642   0.28673   
 C15045   C    2.75339    -0.06641   0.26127   
 C15046   C    2.76689    -0.07649   0.28558   
 C15047   C    2.76684    -0.07690   0.33428   
 C15048   C    2.75328    -0.06728   0.36016   
 C15049   C    2.74014    -0.05685   0.33543   
 C15050   C    2.75299    -0.06656   0.20916   
 C15051   C    2.75366    -0.19843   0.42473   
 C15052   C    2.74099    -0.12752   0.71400   
 C15053   C    2.75488    -0.11819   0.73915   
 C15054   C    2.76772    -0.10748   0.71472   
 C15055   C    2.76653    -0.10598   0.66618   
 C15056   C    2.75259    -0.11526   0.64057   
 C15057   C    2.73992    -0.12613   0.66548   
 C15058   C    2.74127    -0.00529   0.51386   
 C15059   C    2.75492    -0.00164   0.54878   
 C15060   C    2.76822    -0.01449   0.56138   
 C15061   C    2.76752    -0.03072   0.54052   
 C15062   C    2.75360    -0.03464   0.50615   
 C15063   C    2.74067    -0.02149   0.49279   
 C15064   C    2.75520    -0.11903   0.79125   
 C15065   C    2.75469    0.01556    0.57235   
 C15066   C    2.75380    -0.05072   0.48449   
 C15067   C    2.75464    -0.06702   0.50926   
 C15068   C    2.75254    -0.06792   0.55715   
 C15069   C    2.75261    -0.05185   0.43492   
 C15070   C    2.75534    -0.08306   0.48593   
 C15071   C    2.75380    -0.13263   0.51553   
 C15072   C    2.75465    -0.11634   0.49074   
 C15073   C    2.75257    -0.11544   0.44286   
 C15074   C    2.75256    -0.13150   0.56510   
 C15075   C    2.75533    -0.10029   0.51410   
 C15076   C    2.75377    -0.11586   0.59097   
 C15077   C    2.75462    -0.10017   0.56346   
 C15078   C    2.75253    -0.08413   0.58366   
 C15079   C    2.75383    -0.06750   0.40905   
 C15080   C    2.75466    -0.08319   0.43654   
 C15081   C    2.75258    -0.09922   0.41636   
 H15082   H    2.72977    -0.18754   0.49252   
 H15083   H    2.77773    -0.17130   0.40870   
 H15084   H    2.77679    -0.14235   0.44584   
 H15085   H    2.72876    -0.15876   0.53082   
 H15086   H    2.72985    -0.04855   0.26761   
 H15087   H    2.77729    -0.08399   0.26571   
 H15088   H    2.77734    -0.08485   0.35256   
 H15089   H    2.72969    -0.04912   0.35458   
 H15090   H    2.73103    -0.13573   0.73312   
 H15091   H    2.77836    -0.10013   0.73437   
 H15092   H    2.77651    -0.09749   0.64789   
 H15093   H    2.72904    -0.13346   0.64660   
 H15094   H    2.73110    0.00473    0.50399   
 H15095   H    2.77880    -0.01167   0.58846   
 H15096   H    2.77780    -0.04057   0.55129   
 H15097   H    2.72991    -0.02408   0.46597   
 H15098   H    2.75215    -0.04004   0.41561   
 H15099   H    2.74935    -0.12664   0.42348   
 H15100   H    2.74930    -0.05671   0.57655   
 H15101   H    2.75210    -0.14331   0.58442   
 H15102   H    2.74937    -0.10032   0.38045   
 H15103   H    2.74929    -0.08303   0.61958   
 O15104   O    2.76568    -0.20097   0.39182   
 O15105   O    2.74160    -0.20943   0.44009   
 O15106   O    2.74048    -0.05702   0.18961   
 O15107   O    2.76511    -0.07615   0.18820   
 O15108   O    2.74081    0.02555    0.56169   
 O15109   O    2.74193    -0.12781   0.81063   
 O15110   O    2.76837    -0.11070   0.81251   
 O15111   O    2.76790    0.01889    0.60178   
 H15112   H    2.70015    -0.24770   0.35749   
 O15113   O    2.71396    -0.24830   0.35391   
 H15114   H    2.22848    -0.22867   0.44307   
 O15115   O    2.23400    -0.23443   0.41632   
 H15116   H    2.79613    0.02902    0.59131   
 H15117   H    2.80049    0.04906    0.59497   
 H15118   H    2.79964    0.06594    0.53500   
 O15119   O    2.79935    0.06758    0.56843   
 O15120   O    2.79909    0.03799    0.61371   
 H15121   H    2.47166    0.01854    0.43649   
 O15122   O    2.47996    0.01324    0.41354   
 H15123   H    2.52820    -0.03199   0.40049   
 O15124   O    2.52014    -0.02339   0.38587   
 H15125   H    2.51355    -0.19358   0.49320   
 H15126   H    2.50024    -0.20646   0.52176   
 H15127   H    2.51056    -0.23092   0.54766   
 O15128   O    2.49966    -0.22361   0.55448   
 O15129   O    2.50074    -0.19467   0.50627   
 H15130   H    2.51072    0.04759    0.45223   
 H15131   H    2.50034    0.02317    0.47822   
 H15132   H    2.51362    0.01031    0.50677   
 O15133   O    2.50080    0.01139    0.49372   
 O15134   O    2.49980    0.04032    0.44542   
 H15135   H    2.49968    -0.13607   0.58692   
 H15136   H    2.48918    -0.14569   0.52100   
 H15137   H    2.48651    -0.12546   0.62188   
 O15138   O    2.50017    -0.14819   0.54051   
 O15139   O    2.49929    -0.13033   0.61884   
 H15140   H    2.47154    -0.20189   0.56352   
 O15141   O    2.47984    -0.19658   0.58640   
 H15142   H    2.52814    -0.15128   0.59942   
 O15143   O    2.52007    -0.15988   0.61404   
 H15144   H    2.48658    -0.05785   0.37809   
 H15145   H    2.48926    -0.03760   0.47895   
 H15146   H    2.49976    -0.04723   0.41305   
 O15147   O    2.49937    -0.05298   0.38116   
 O15148   O    2.50026    -0.03510   0.45946   
 Zr15149  Zr   2.26807    0.05207    0.58473   
 Zr15150  Zr   2.73176    0.05206    0.58469   
 Zr15151  Zr   2.46384    -0.00000   0.35013   
 Zr15152  Zr   2.49954    -0.17392   0.56467   
 Zr15153  Zr   2.49961    -0.00939   0.43528   
 O15154   O    2.27600    0.06484    0.64542   
 O15155   O    2.74296    -0.22729   0.35172   
 O15156   O    2.76069    0.05501    0.60121   
 O15157   O    2.25833    -0.22763   0.35019   
 O15158   O    2.51523    -0.19258   0.60470   
 O15159   O    2.48456    -0.16661   0.62456   
 O15160   O    2.48463    -0.01674   0.37541   
 O15161   O    2.51534    0.00931    0.39520   
 C15162   C    2.67754    -0.37761   0.70953   
 C15163   C    2.68368    -0.38322   0.66524   
 C15164   C    2.67455    -0.37661   0.62522   
 C15165   C    2.65992    -0.36439   0.62943   
 C15166   C    2.65401    -0.35835   0.67368   
 C15167   C    2.66291    -0.36542   0.71363   
 C15168   C    2.67816    -0.25695   0.51140   
 C15169   C    2.68383    -0.26880   0.47691   
 C15170   C    2.67461    -0.28491   0.47468   
 C15171   C    2.66035    -0.28922   0.50699   
 C15172   C    2.65482    -0.27754   0.54230   
 C15173   C    2.66380    -0.26124   0.54345   
 C15174   C    2.69953    -0.26412   0.44354   
 C15175   C    2.69984    -0.39575   0.66056   
 C15176   C    2.58181    -0.23094   0.62282   
 C15177   C    2.56249    -0.23595   0.61713   
 C15178   C    2.55819    -0.25349   0.61084   
 C15179   C    2.57288    -0.26578   0.61087   
 C15180   C    2.59232    -0.26089   0.61672   
 C15181   C    2.59648    -0.24321   0.62242   
 C15182   C    2.58173    -0.35334   0.82223   
 C15183   C    2.56240    -0.35245   0.80772   
 C15184   C    2.55834    -0.34698   0.76191   
 C15185   C    2.57318    -0.34206   0.73191   
 C15186   C    2.59260    -0.34253   0.74651   
 C15187   C    2.59658    -0.34853   0.79205   
 C15188   C    2.54682    -0.22283   0.62023   
 C15189   C    2.54669    -0.35691   0.84141   
 C15190   C    2.63874    -0.28152   0.57086   
 C15191   C    2.63774    -0.29770   0.59615   
 C15192   C    2.65299    -0.30911   0.59676   
 C15193   C    2.62361    -0.26958   0.58004   
 C15194   C    2.62223    -0.30189   0.62613   
 C15195   C    2.60723    -0.33826   0.71506   
 C15196   C    2.60739    -0.32276   0.68671   
 C15197   C    2.59424    -0.30967   0.69365   
 C15198   C    2.62357    -0.34923   0.71024   
 C15199   C    2.62222    -0.31912   0.65430   
 C15200   C    2.63871    -0.34665   0.67734   
 C15201   C    2.63772    -0.33085   0.65035   
 C15202   C    2.65298    -0.32532   0.62326   
 C15203   C    2.60726    -0.27313   0.60858   
 C15204   C    2.60740    -0.28961   0.63251   
 C15205   C    2.59425    -0.29346   0.66715   
 H15206   H    2.68458    -0.38290   0.74036   
 H15207   H    2.67913    -0.38117   0.59107   
 H15208   H    2.65306    -0.35933   0.59803   
 H15209   H    2.65842    -0.36117   0.74823   
 H15210   H    2.68527    -0.24446   0.51265   
 H15211   H    2.67880    -0.29391   0.44739   
 H15212   H    2.65343    -0.30179   0.50485   
 H15213   H    2.65964    -0.25195   0.57009   
 H15214   H    2.58502    -0.21735   0.62791   
 H15215   H    2.54320    -0.25734   0.60691   
 H15216   H    2.56925    -0.27934   0.60637   
 H15217   H    2.61135    -0.23907   0.62694   
 H15218   H    2.58481    -0.35769   0.85758   
 H15219   H    2.54336    -0.34628   0.75067   
 H15220   H    2.56970    -0.33763   0.69678   
 H15221   H    2.61144    -0.34923   0.80410   
 H15222   H    2.62385    -0.25759   0.56157   
 H15223   H    2.58431    -0.31036   0.72155   
 H15224   H    2.66613    -0.30584   0.58047   
 H15225   H    2.62380    -0.36085   0.73038   
 H15226   H    2.58432    -0.28404   0.67852   
 H15227   H    2.66612    -0.33216   0.62349   
 O15228   O    2.70498    -0.40000   0.61941   
 O15229   O    2.70729    -0.40125   0.69831   
 O15230   O    2.70639    -0.24897   0.44700   
 O15231   O    2.70490    -0.27550   0.41422   
 O15232   O    2.55189    -0.35997   0.88328   
 O15233   O    2.55191    -0.20752   0.63024   
 O15234   O    2.52957    -0.22789   0.61366   
 O15235   O    2.52943    -0.35701   0.82655   
 C15236   C    2.32168    -0.37730   0.70848   
 C15237   C    2.31601    -0.38308   0.66399   
 C15238   C    2.32522    -0.37628   0.62436   
 C15239   C    2.33949    -0.36372   0.62899   
 C15240   C    2.34505    -0.35762   0.67349   
 C15241   C    2.33603    -0.36484   0.71313   
 C15242   C    2.32241    -0.25643   0.51156   
 C15243   C    2.31625    -0.26831   0.47761   
 C15244   C    2.32539    -0.28443   0.47474   
 C15245   C    2.34006    -0.28874   0.50591   
 C15246   C    2.34600    -0.27708   0.54096   
 C15247   C    2.33709    -0.26077   0.54266   
 C15248   C    2.30006    -0.26403   0.44540   
 C15249   C    2.30034    -0.39619   0.65967   
 C15250   C    2.41809    -0.23138   0.62736   
 C15251   C    2.43741    -0.23651   0.62278   
 C15252   C    2.44154    -0.25397   0.61446   
 C15253   C    2.42671    -0.26608   0.61186   
 C15254   C    2.40727    -0.26108   0.61726   
 C15255   C    2.40327    -0.24346   0.62443   
 C15256   C    2.41749    -0.35234   0.82385   
 C15257   C    2.43689    -0.35106   0.81018   
 C15258   C    2.44128    -0.34574   0.76446   
 C15259   C    2.42657    -0.34140   0.73345   
 C15260   C    2.40705    -0.34221   0.74717   
 C15261   C    2.40281    -0.34802   0.79271   
 C15262   C    2.45270    -0.35502   0.84384   
 C15263   C    2.45314    -0.22344   0.62693   
 C15264   C    2.39257    -0.27313   0.60858   
 C15265   C    2.39242    -0.28960   0.63254   
 C15266   C    2.40555    -0.29346   0.66716   
 C15267   C    2.37625    -0.26958   0.58005   
 C15268   C    2.37760    -0.30189   0.62612   
 C15269   C    2.36109    -0.34665   0.67734   
 C15270   C    2.36208    -0.33085   0.65037   
 C15271   C    2.34686    -0.32532   0.62328   
 C15272   C    2.37620    -0.34923   0.71023   
 C15273   C    2.37760    -0.31912   0.65430   
 C15274   C    2.39254    -0.33826   0.71506   
 C15275   C    2.39241    -0.32276   0.68674   
 C15276   C    2.40554    -0.30967   0.69366   
 C15277   C    2.36112    -0.28152   0.57086   
 C15278   C    2.36210    -0.29769   0.59617   
 C15279   C    2.34687    -0.30911   0.59678   
 H15280   H    2.31458    -0.38272   0.73902   
 H15281   H    2.32103    -0.38099   0.58998   
 H15282   H    2.34640    -0.35855   0.59785   
 H15283   H    2.34019    -0.36049   0.74789   
 H15284   H    2.31536    -0.24394   0.51325   
 H15285   H    2.32076    -0.29347   0.44795   
 H15286   H    2.34691    -0.30131   0.50340   
 H15287   H    2.34159    -0.25145   0.56897   
 H15288   H    2.41500    -0.21781   0.63345   
 H15289   H    2.45650    -0.25788   0.61010   
 H15290   H    2.43019    -0.27956   0.60561   
 H15291   H    2.38839    -0.23923   0.62826   
 H15292   H    2.41424    -0.35661   0.85917   
 H15293   H    2.45631    -0.34502   0.75386   
 H15294   H    2.43021    -0.33721   0.69823   
 H15295   H    2.38785    -0.34898   0.80400   
 H15296   H    2.37603    -0.25759   0.56157   
 H15297   H    2.33372    -0.33216   0.62350   
 H15298   H    2.41547    -0.28404   0.67852   
 H15299   H    2.37598    -0.36085   0.73039   
 H15300   H    2.33373    -0.30584   0.58048   
 H15301   H    2.41546    -0.31036   0.72154   
 O15302   O    2.29502    -0.40051   0.61874   
 O15303   O    2.29351    -0.40216   0.69764   
 O15304   O    2.29258    -0.24916   0.44983   
 O15305   O    2.29489    -0.27548   0.41607   
 O15306   O    2.47048    -0.22871   0.62469   
 O15307   O    2.44790    -0.20783   0.63227   
 O15308   O    2.44762    -0.35987   0.88445   
 O15309   O    2.46997    -0.35326   0.82958   
 H15310   H    2.74548    -0.29601   0.41881   
 H15311   H    2.76518    -0.28885   0.47368   
 H15312   H    2.72289    -0.29709   0.42669   
 O15313   O    2.76597    -0.28949   0.44005   
 O15314   O    2.73265    -0.29824   0.40269   
 H15315   H    2.77148    -0.22963   0.44473   
 O15316   O    2.76597    -0.23569   0.41850   
 H15317   H    2.76360    -0.37557   0.62159   
 H15318   H    2.72398    -0.38598   0.56503   
 H15319   H    2.75420    -0.38720   0.58212   
 O15320   O    2.76663    -0.38466   0.59958   
 O15321   O    2.73419    -0.39413   0.55908   
 H15322   H    2.24572    -0.29367   0.42933   
 H15323   H    2.27594    -0.29982   0.42432   
 H15324   H    2.23629    -0.28622   0.47557   
 O15325   O    2.26573    -0.29795   0.40201   
 O15326   O    2.23327    -0.28916   0.44351   
 H15327   H    2.29985    -0.24864   0.35923   
 O15328   O    2.28605    -0.24956   0.35614   
 H15329   H    2.27700    -0.38644   0.57273   
 H15330   H    2.23469    -0.37500   0.61442   
 H15331   H    2.25442    -0.38953   0.57163   
 O15332   O    2.26723    -0.39373   0.55880   
 O15333   O    2.23390    -0.38566   0.59719   
 Zr15334  Zr   2.73191    -0.23555   0.41514   
 Zr15335  Zr   2.77114    -0.26496   0.41047   
 Zr15336  Zr   2.72839    -0.41813   0.59098   
 Zr15337  Zr   2.26807    -0.23554   0.41518   
 Zr15338  Zr   2.27153    -0.27634   0.35929   
 Zr15339  Zr   2.22875    -0.40675   0.64218   
 Zr15340  Zr   2.50032    -0.21477   0.62426   
 O15341   O    2.74168    -0.26044   0.40381   
 O15342   O    2.25704    -0.26010   0.40535   
 H15343   H    2.18962    0.74211    0.42663   
 H15344   H    2.19907    0.76727    0.40396   
 H15345   H    2.19013    0.77666    0.35978   
 O15346   O    2.19999    0.77795    0.38348   
 O15347   O    2.20078    0.74918    0.43253   
 C15348   C    1.82298    0.57295    0.49128   
 C15349   C    1.81757    0.58455    0.52662   
 C15350   C    1.82611    0.60096    0.52778   
 C15351   C    1.83961    0.60574    0.49402   
 C15352   C    1.84511    0.59421    0.45830   
 C15353   C    1.83659    0.57769    0.45781   
 C15354   C    1.82324    0.69530    0.29164   
 C15355   C    1.81757    0.70108    0.33614   
 C15356   C    1.82680    0.69423    0.37574   
 C15357   C    1.84093    0.68159    0.37105   
 C15358   C    1.84643    0.67543    0.32656   
 C15359   C    1.83749    0.68275    0.28699   
 C15360   C    1.80220    0.57970    0.56066   
 C15361   C    1.80164    0.71397    0.34032   
 C15362   C    1.91774    0.66882    0.17610   
 C15363   C    1.93716    0.66763    0.18978   
 C15364   C    1.94151    0.66229    0.23553   
 C15365   C    1.92679    0.65789    0.26648   
 C15366   C    1.90728    0.65862    0.25268   
 C15367   C    1.90306    0.66444    0.20713   
 C15368   C    1.91823    0.54787    0.37293   
 C15369   C    1.93754    0.55306    0.37747   
 C15370   C    1.94166    0.57053    0.38580   
 C15371   C    1.92682    0.58260    0.38840   
 C15372   C    1.90740    0.57756    0.38295   
 C15373   C    1.90340    0.55993    0.37583   
 C15374   C    1.95327    0.54002    0.37321   
 C15375   C    1.95296    0.67165    0.15618   
 C15376   C    1.86120    0.66330    0.32268   
 C15377   C    1.86219    0.64750    0.34967   
 C15378   C    1.84693    0.64197    0.37676   
 C15379   C    1.87634    0.66588    0.28978   
 C15380   C    1.87769    0.63576    0.34573   
 C15381   C    1.89264    0.58978    0.39144   
 C15382   C    1.89250    0.60626    0.36751   
 C15383   C    1.90566    0.61011    0.33287   
 C15384   C    1.87630    0.58623    0.41998   
 C15385   C    1.87768    0.61853    0.37389   
 C15386   C    1.86116    0.59816    0.42916   
 C15387   C    1.86217    0.61434    0.40387   
 C15388   C    1.84692    0.62576    0.40327   
 C15389   C    1.89268    0.65491    0.28496   
 C15390   C    1.89252    0.63941    0.31331   
 C15391   C    1.90567    0.62632    0.30637   
 H15392   H    1.81625    0.56031    0.49042   
 H15393   H    1.82173    0.60997    0.55495   
 H15394   H    1.84594    0.61858    0.49528   
 H15395   H    1.84059    0.56853    0.43068   
 H15396   H    1.81617    0.70072    0.26111   
 H15397   H    1.82238    0.69870    0.41022   
 H15398   H    1.84771    0.67629    0.40224   
 H15399   H    1.84161    0.67838    0.25218   
 H15400   H    1.91449    0.67310    0.14074   
 H15401   H    1.95653    0.66163    0.24620   
 H15402   H    1.93042    0.65368    0.30173   
 H15403   H    1.88810    0.66537    0.19583   
 H15404   H    1.91516    0.53430    0.36682   
 H15405   H    1.95662    0.57443    0.39015   
 H15406   H    1.93030    0.59608    0.39464   
 H15407   H    1.88851    0.55572    0.37198   
 H15408   H    1.87611    0.67750    0.26964   
 H15409   H    1.91559    0.60069    0.32150   
 H15410   H    1.83379    0.64881    0.37653   
 H15411   H    1.87606    0.57424    0.43845   
 H15412   H    1.91560    0.62701    0.27847   
 H15413   H    1.83378    0.62249    0.41956   
 O15414   O    1.79297    0.71794    0.30260   
 O15415   O    1.79404    0.56521    0.55435   
 O15416   O    1.79811    0.59045    0.59282   
 O15417   O    1.79759    0.71974    0.38073   
 O15418   O    1.97023    0.66993    0.17048   
 O15419   O    1.94790    0.67650    0.11555   
 O15420   O    1.94805    0.52443    0.36778   
 O15421   O    1.97061    0.54534    0.37535   
 C15422   C    2.17685    0.57311    0.49115   
 C15423   C    2.18254    0.58488    0.52586   
 C15424   C    2.17339    0.60102    0.52793   
 C15425   C    2.15928    0.60546    0.49541   
 C15426   C    2.15376    0.59385    0.45981   
 C15427   C    2.16267    0.57753    0.45882   
 C15428   C    2.17672    0.69537    0.29092   
 C15429   C    2.18216    0.70142    0.33532   
 C15430   C    2.17349    0.69415    0.37511   
 C15431   C    2.15997    0.68094    0.37060   
 C15432   C    2.15453    0.67468    0.32624   
 C15433   C    2.16310    0.68226    0.28649   
 C15434   C    2.19838    0.58015    0.55889   
 C15435   C    2.19761    0.71472    0.33971   
 C15436   C    2.08190    0.66989    0.17764   
 C15437   C    2.06255    0.66904    0.19205   
 C15438   C    2.05841    0.66352    0.23774   
 C15439   C    2.07319    0.65855    0.26788   
 C15440   C    2.09264    0.65902    0.25340   
 C15441   C    2.09667    0.66502    0.20793   
 C15442   C    2.08205    0.54762    0.37782   
 C15443   C    2.06273    0.55267    0.38337   
 C15444   C    2.05851    0.57023    0.38984   
 C15445   C    2.07325    0.58247    0.38996   
 C15446   C    2.09269    0.57755    0.38405   
 C15447   C    2.09676    0.55986    0.37833   
 C15448   C    2.04692    0.67362    0.15833   
 C15449   C    2.04700    0.53957    0.37988   
 C15450   C    2.10737    0.65491    0.28496   
 C15451   C    2.10750    0.63941    0.31328   
 C15452   C    2.09437    0.62632    0.30636   
 C15453   C    2.12370    0.66587    0.28977   
 C15454   C    2.12232    0.63577    0.34574   
 C15455   C    2.13878    0.59816    0.42916   
 C15456   C    2.13781    0.61434    0.40385   
 C15457   C    2.15304    0.62576    0.40325   
 C15458   C    2.12367    0.58623    0.41999   
 C15459   C    2.12230    0.61853    0.37389   
 C15460   C    2.10733    0.58978    0.39144   
 C15461   C    2.10749    0.60625    0.36748   
 C15462   C    2.09436    0.61010    0.33286   
 C15463   C    2.13882    0.66330    0.32268   
 C15464   C    2.13783    0.64749    0.34965   
 C15465   C    2.15305    0.64197    0.37675   
 H15466   H    2.18390    0.56059    0.48980   
 H15467   H    2.17785    0.61013    0.55484   
 H15468   H    2.15255    0.61812    0.49733   
 H15469   H    2.15853    0.56826    0.43204   
 H15470   H    2.18350    0.70100    0.26026   
 H15471   H    2.17784    0.69876    0.40947   
 H15472   H    2.15360    0.67536    0.40193   
 H15473   H    2.15912    0.67772    0.25179   
 H15474   H    2.08505    0.67425    0.14233   
 H15475   H    2.04342    0.66285    0.24879   
 H15476   H    2.06963    0.65411    0.30293   
 H15477   H    2.11158    0.66568    0.19600   
 H15478   H    2.08522    0.53403    0.37270   
 H15479   H    2.04355    0.57412    0.39374   
 H15480   H    2.06966    0.59602    0.39450   
 H15481   H    2.11165    0.55569    0.37389   
 H15482   H    2.16618    0.62249    0.41955   
 H15483   H    2.12393    0.67750    0.26964   
 H15484   H    2.12388    0.57423    0.43845   
 H15485   H    2.08445    0.62701    0.27848   
 H15486   H    2.16619    0.64881    0.37652   
 H15487   H    2.08444    0.60069    0.32151   
 O15488   O    2.20587    0.71939    0.30205   
 O15489   O    2.20239    0.59062    0.59167   
 O15490   O    2.20700    0.56596    0.55091   
 O15491   O    2.20172    0.72014    0.38052   
 O15492   O    2.05206    0.52427    0.36970   
 O15493   O    2.02965    0.67375    0.17321   
 O15494   O    2.05214    0.67673    0.11651   
 O15495   O    2.02976    0.54466    0.38633   
 H15496   H    1.76464    0.58720    0.54810   
 O15497   O    1.76077    0.58178    0.57700   
 H15498   H    1.80984    0.74065    0.41878   
 H15499   H    1.80089    0.75946    0.41691   
 H15500   H    1.81037    0.77864    0.36728   
 O15501   O    1.79918    0.77722    0.38692   
 O15502   O    1.79999    0.74779    0.43288   
 H15503   H    1.70025    0.52943    0.59446   
 H15504   H    1.69933    0.55686    0.58199   
 H15505   H    1.70368    0.56502    0.53231   
 O15506   O    1.70073    0.56815    0.56425   
 O15507   O    1.70050    0.53954    0.61402   
 H15508   H    1.76350    0.70681    0.35061   
 O15509   O    1.75930    0.71868    0.35067   
 H15510   H    2.23643    0.58687    0.54662   
 O15511   O    2.24061    0.58136    0.57513   
 H15512   H    2.23529    0.70712    0.35199   
 O15513   O    2.23916    0.71908    0.35249   
 Zr15514  Zr   1.77367    0.59163    0.64655   
 Zr15515  Zr   1.72667    0.72462    0.35203   
 Zr15516  Zr   2.27326    0.57908    0.59009   
 Zr15517  Zr   2.22623    0.73717    0.40848   
 Zr15518  Zr   2.00045    0.53148    0.37567   
 Zr15519  Zr   2.03629    0.50007    0.35006   
 O15520   O    1.73916    0.55612    0.59934   
 O15521   O    2.22381    0.56594    0.64351   
 C15522   C    1.75861    0.37262    0.71385   
 C15523   C    1.74494    0.38227    0.73898   
 C15524   C    1.73166    0.39243    0.71415   
 C15525   C    1.73233    0.39328    0.66550   
 C15526   C    1.74627    0.38392    0.64001   
 C15527   C    1.75919    0.37342    0.66519   
 C15528   C    1.75868    0.49483    0.51337   
 C15529   C    1.74479    0.49864    0.54765   
 C15530   C    1.73193    0.48563    0.56163   
 C15531   C    1.73313    0.46914    0.54241   
 C15532   C    1.74713    0.46515    0.50827   
 C15533   C    1.75976    0.47839    0.49396   
 C15534   C    1.74513    0.38181    0.79122   
 C15535   C    1.74454    0.51598    0.57024   
 C15536   C    1.75996    0.32239    0.48469   
 C15537   C    1.74667    0.31869    0.44899   
 C15538   C    1.73318    0.33134    0.43608   
 C15539   C    1.73327    0.34743    0.45774   
 C15540   C    1.74686    0.35142    0.49279   
 C15541   C    1.75998    0.33848    0.50630   
 C15542   C    1.76003    0.44291    0.28590   
 C15543   C    1.74639    0.43318    0.26094   
 C15544   C    1.73304    0.42309    0.28579   
 C15545   C    1.73362    0.42241    0.33445   
 C15546   C    1.74752    0.43188    0.35978   
 C15547   C    1.76050    0.44232    0.33458   
 C15548   C    1.74637    0.43367    0.20874   
 C15549   C    1.74704    0.30174    0.42444   
 C15550   C    1.74614    0.43251    0.40905   
 C15551   C    1.74529    0.41682    0.43657   
 C15552   C    1.74738    0.40078    0.41637   
 C15553   C    1.74733    0.44814    0.43490   
 C15554   C    1.74458    0.41694    0.48593   
 C15555   C    1.74608    0.38414    0.59098   
 C15556   C    1.74524    0.39983    0.56348   
 C15557   C    1.74733    0.41587    0.58366   
 C15558   C    1.74731    0.36850    0.56512   
 C15559   C    1.74457    0.39971    0.51409   
 C15560   C    1.74611    0.36737    0.51553   
 C15561   C    1.74527    0.38367    0.49077   
 C15562   C    1.74737    0.38457    0.44287   
 C15563   C    1.74611    0.44928    0.48449   
 C15564   C    1.74526    0.43299    0.50928   
 C15565   C    1.74733    0.43208    0.55716   
 H15566   H    1.76880    0.36471    0.73316   
 H15567   H    1.72111    0.39990    0.73372   
 H15568   H    1.72207    0.40141    0.64704   
 H15569   H    1.76995    0.36591    0.64635   
 H15570   H    1.76864    0.50493    0.50279   
 H15571   H    1.72128    0.48856    0.58843   
 H15572   H    1.72317    0.45920    0.55412   
 H15573   H    1.77066    0.47569    0.46752   
 H15574   H    1.77027    0.31248    0.49472   
 H15575   H    1.72274    0.32834    0.40895   
 H15576   H    1.72277    0.35712    0.44714   
 H15577   H    1.77047    0.34115    0.53377   
 H15578   H    1.77022    0.45079    0.26643   
 H15579   H    1.72228    0.41583    0.26632   
 H15580   H    1.72323    0.41446    0.35307   
 H15581   H    1.77123    0.44986    0.35338   
 H15582   H    1.75054    0.41697    0.61957   
 H15583   H    1.74780    0.45996    0.41560   
 H15584   H    1.74775    0.35669    0.58442   
 H15585   H    1.75062    0.39968    0.38045   
 H15586   H    1.75055    0.44329    0.57655   
 H15587   H    1.75061    0.37336    0.42347   
 O15588   O    1.75784    0.52640    0.55843   
 O15589   O    1.73187    0.38980    0.81288   
 O15590   O    1.75898    0.37361    0.81018   
 O15591   O    1.73140    0.51900    0.60023   
 O15592   O    1.73491    0.29936    0.39169   
 O15593   O    1.75957    0.29092    0.43823   
 O15594   O    1.75843    0.44379    0.18958   
 O15595   O    1.73439    0.42406    0.18735   
 C15596   C    2.23996    0.32249    0.48268   
 C15597   C    2.25361    0.31885    0.44779   
 C15598   C    2.26696    0.33165    0.43518   
 C15599   C    2.26639    0.34786    0.45622   
 C15600   C    2.25251    0.35174    0.49073   
 C15601   C    2.23948    0.33865    0.50395   
 C15602   C    2.24015    0.44358    0.28673   
 C15603   C    2.25339    0.43359    0.26127   
 C15604   C    2.26689    0.42351    0.28558   
 C15605   C    2.26684    0.42310    0.33428   
 C15606   C    2.25328    0.43272    0.36016   
 C15607   C    2.24014    0.44315    0.33543   
 C15608   C    2.25299    0.43344    0.20916   
 C15609   C    2.25366    0.30157    0.42473   
 C15610   C    2.24099    0.37248    0.71400   
 C15611   C    2.25488    0.38181    0.73915   
 C15612   C    2.26772    0.39252    0.71472   
 C15613   C    2.26653    0.39402    0.66618   
 C15614   C    2.25259    0.38474    0.64057   
 C15615   C    2.23992    0.37387    0.66548   
 C15616   C    2.24127    0.49471    0.51386   
 C15617   C    2.25492    0.49836    0.54878   
 C15618   C    2.26822    0.48551    0.56138   
 C15619   C    2.26752    0.46928    0.54052   
 C15620   C    2.25360    0.46536    0.50615   
 C15621   C    2.24067    0.47851    0.49279   
 C15622   C    2.25520    0.38097    0.79125   
 C15623   C    2.25469    0.51556    0.57235   
 C15624   C    2.25380    0.44928    0.48449   
 C15625   C    2.25464    0.43298    0.50926   
 C15626   C    2.25254    0.43208    0.55715   
 C15627   C    2.25261    0.44815    0.43492   
 C15628   C    2.25534    0.41694    0.48593   
 C15629   C    2.25380    0.36737    0.51553   
 C15630   C    2.25465    0.38366    0.49074   
 C15631   C    2.25257    0.38456    0.44286   
 C15632   C    2.25256    0.36850    0.56510   
 C15633   C    2.25533    0.39971    0.51410   
 C15634   C    2.25377    0.38414    0.59097   
 C15635   C    2.25462    0.39983    0.56346   
 C15636   C    2.25253    0.41587    0.58366   
 C15637   C    2.25383    0.43250    0.40905   
 C15638   C    2.25466    0.41681    0.43654   
 C15639   C    2.25258    0.40078    0.41636   
 H15640   H    2.22977    0.31246    0.49252   
 H15641   H    2.27773    0.32870    0.40870   
 H15642   H    2.27679    0.35765    0.44584   
 H15643   H    2.22876    0.34124    0.53082   
 H15644   H    2.22985    0.45145    0.26761   
 H15645   H    2.27729    0.41601    0.26571   
 H15646   H    2.27734    0.41515    0.35256   
 H15647   H    2.22969    0.45088    0.35458   
 H15648   H    2.23103    0.36427    0.73312   
 H15649   H    2.27836    0.39987    0.73437   
 H15650   H    2.27651    0.40251    0.64789   
 H15651   H    2.22904    0.36654    0.64660   
 H15652   H    2.23110    0.50473    0.50399   
 H15653   H    2.27880    0.48833    0.58846   
 H15654   H    2.27780    0.45943    0.55129   
 H15655   H    2.22991    0.47592    0.46597   
 H15656   H    2.25215    0.45996    0.41561   
 H15657   H    2.24935    0.37336    0.42348   
 H15658   H    2.24930    0.44329    0.57655   
 H15659   H    2.25210    0.35669    0.58442   
 H15660   H    2.24937    0.39968    0.38045   
 H15661   H    2.24929    0.41697    0.61958   
 O15662   O    2.26568    0.29903    0.39182   
 O15663   O    2.24160    0.29057    0.44009   
 O15664   O    2.24048    0.44298    0.18961   
 O15665   O    2.26511    0.42385    0.18820   
 O15666   O    2.24081    0.52555    0.56169   
 O15667   O    2.24193    0.37219    0.81063   
 O15668   O    2.26837    0.38930    0.81251   
 O15669   O    2.26790    0.51889    0.60178   
 H15670   H    2.20015    0.25230    0.35749   
 O15671   O    2.21396    0.25170    0.35391   
 H15672   H    1.72848    0.27133    0.44307   
 O15673   O    1.73400    0.26557    0.41632   
 H15674   H    2.29613    0.52902    0.59131   
 H15675   H    2.30049    0.54906    0.59497   
 H15676   H    2.29964    0.56594    0.53500   
 O15677   O    2.29935    0.56758    0.56843   
 O15678   O    2.29909    0.53799    0.61371   
 H15679   H    1.97166    0.51854    0.43649   
 O15680   O    1.97996    0.51324    0.41354   
 H15681   H    2.02820    0.46801    0.40049   
 O15682   O    2.02014    0.47661    0.38587   
 H15683   H    2.01355    0.30642    0.49320   
 H15684   H    2.00024    0.29354    0.52176   
 H15685   H    2.01056    0.26908    0.54766   
 O15686   O    1.99966    0.27639    0.55448   
 O15687   O    2.00074    0.30533    0.50627   
 H15688   H    2.01072    0.54759    0.45223   
 H15689   H    2.00034    0.52317    0.47822   
 H15690   H    2.01362    0.51031    0.50677   
 O15691   O    2.00080    0.51139    0.49372   
 O15692   O    1.99980    0.54032    0.44542   
 H15693   H    1.99968    0.36393    0.58692   
 H15694   H    1.98918    0.35431    0.52100   
 H15695   H    1.98651    0.37454    0.62188   
 O15696   O    2.00017    0.35181    0.54051   
 O15697   O    1.99929    0.36967    0.61884   
 H15698   H    1.97154    0.29811    0.56352   
 O15699   O    1.97984    0.30342    0.58640   
 H15700   H    2.02814    0.34872    0.59942   
 O15701   O    2.02007    0.34012    0.61404   
 H15702   H    1.98658    0.44215    0.37809   
 H15703   H    1.98926    0.46240    0.47895   
 H15704   H    1.99976    0.45277    0.41305   
 O15705   O    1.99937    0.44702    0.38116   
 O15706   O    2.00026    0.46490    0.45946   
 Zr15707  Zr   1.76807    0.55207    0.58473   
 Zr15708  Zr   2.23176    0.55206    0.58469   
 Zr15709  Zr   1.96384    0.50000    0.35013   
 Zr15710  Zr   1.99954    0.32608    0.56467   
 Zr15711  Zr   1.99961    0.49061    0.43528   
 O15712   O    1.77600    0.56484    0.64542   
 O15713   O    2.24296    0.27271    0.35172   
 O15714   O    2.26069    0.55501    0.60121   
 O15715   O    1.75833    0.27237    0.35019   
 O15716   O    2.01523    0.30742    0.60470   
 O15717   O    1.98456    0.33339    0.62456   
 O15718   O    1.98463    0.48326    0.37541   
 O15719   O    2.01534    0.50931    0.39520   
 C15720   C    2.17754    0.12239    0.70953   
 C15721   C    2.18368    0.11678    0.66524   
 C15722   C    2.17455    0.12339    0.62522   
 C15723   C    2.15992    0.13561    0.62943   
 C15724   C    2.15401    0.14165    0.67368   
 C15725   C    2.16291    0.13458    0.71363   
 C15726   C    2.17816    0.24305    0.51140   
 C15727   C    2.18383    0.23120    0.47691   
 C15728   C    2.17461    0.21509    0.47468   
 C15729   C    2.16035    0.21078    0.50699   
 C15730   C    2.15482    0.22246    0.54230   
 C15731   C    2.16380    0.23876    0.54345   
 C15732   C    2.19953    0.23588    0.44354   
 C15733   C    2.19984    0.10425    0.66056   
 C15734   C    2.08181    0.26906    0.62282   
 C15735   C    2.06249    0.26405    0.61713   
 C15736   C    2.05819    0.24651    0.61084   
 C15737   C    2.07288    0.23422    0.61087   
 C15738   C    2.09232    0.23911    0.61672   
 C15739   C    2.09648    0.25679    0.62242   
 C15740   C    2.08173    0.14666    0.82223   
 C15741   C    2.06240    0.14755    0.80772   
 C15742   C    2.05834    0.15302    0.76191   
 C15743   C    2.07318    0.15794    0.73191   
 C15744   C    2.09260    0.15747    0.74651   
 C15745   C    2.09658    0.15147    0.79205   
 C15746   C    2.04682    0.27717    0.62023   
 C15747   C    2.04669    0.14309    0.84141   
 C15748   C    2.13874    0.21848    0.57086   
 C15749   C    2.13774    0.20230    0.59615   
 C15750   C    2.15299    0.19089    0.59676   
 C15751   C    2.12361    0.23042    0.58004   
 C15752   C    2.12223    0.19811    0.62613   
 C15753   C    2.10723    0.16174    0.71506   
 C15754   C    2.10739    0.17724    0.68671   
 C15755   C    2.09424    0.19033    0.69365   
 C15756   C    2.12357    0.15077    0.71024   
 C15757   C    2.12222    0.18088    0.65430   
 C15758   C    2.13871    0.15335    0.67734   
 C15759   C    2.13772    0.16915    0.65035   
 C15760   C    2.15298    0.17468    0.62326   
 C15761   C    2.10726    0.22687    0.60858   
 C15762   C    2.10740    0.21039    0.63251   
 C15763   C    2.09425    0.20654    0.66715   
 H15764   H    2.18458    0.11710    0.74036   
 H15765   H    2.17913    0.11883    0.59107   
 H15766   H    2.15306    0.14067    0.59803   
 H15767   H    2.15842    0.13883    0.74823   
 H15768   H    2.18527    0.25554    0.51265   
 H15769   H    2.17880    0.20609    0.44739   
 H15770   H    2.15343    0.19821    0.50485   
 H15771   H    2.15964    0.24805    0.57009   
 H15772   H    2.08502    0.28265    0.62791   
 H15773   H    2.04320    0.24266    0.60691   
 H15774   H    2.06925    0.22066    0.60637   
 H15775   H    2.11135    0.26093    0.62694   
 H15776   H    2.08481    0.14231    0.85758   
 H15777   H    2.04336    0.15372    0.75067   
 H15778   H    2.06970    0.16237    0.69678   
 H15779   H    2.11144    0.15077    0.80410   
 H15780   H    2.12385    0.24241    0.56157   
 H15781   H    2.08431    0.18964    0.72155   
 H15782   H    2.16613    0.19416    0.58047   
 H15783   H    2.12380    0.13915    0.73038   
 H15784   H    2.08432    0.21596    0.67852   
 H15785   H    2.16612    0.16784    0.62349   
 O15786   O    2.20498    0.10000    0.61941   
 O15787   O    2.20729    0.09875    0.69831   
 O15788   O    2.20639    0.25103    0.44700   
 O15789   O    2.20490    0.22450    0.41422   
 O15790   O    2.05189    0.14003    0.88328   
 O15791   O    2.05191    0.29248    0.63024   
 O15792   O    2.02957    0.27211    0.61366   
 O15793   O    2.02943    0.14299    0.82655   
 C15794   C    1.82168    0.12270    0.70848   
 C15795   C    1.81601    0.11692    0.66399   
 C15796   C    1.82522    0.12372    0.62436   
 C15797   C    1.83949    0.13628    0.62899   
 C15798   C    1.84505    0.14238    0.67349   
 C15799   C    1.83603    0.13516    0.71313   
 C15800   C    1.82241    0.24357    0.51156   
 C15801   C    1.81625    0.23169    0.47761   
 C15802   C    1.82539    0.21557    0.47474   
 C15803   C    1.84006    0.21126    0.50591   
 C15804   C    1.84600    0.22292    0.54096   
 C15805   C    1.83709    0.23923    0.54266   
 C15806   C    1.80006    0.23597    0.44540   
 C15807   C    1.80034    0.10381    0.65967   
 C15808   C    1.91809    0.26862    0.62736   
 C15809   C    1.93741    0.26349    0.62278   
 C15810   C    1.94154    0.24603    0.61446   
 C15811   C    1.92671    0.23392    0.61186   
 C15812   C    1.90727    0.23892    0.61726   
 C15813   C    1.90327    0.25654    0.62443   
 C15814   C    1.91749    0.14766    0.82385   
 C15815   C    1.93689    0.14894    0.81018   
 C15816   C    1.94128    0.15426    0.76446   
 C15817   C    1.92657    0.15860    0.73345   
 C15818   C    1.90705    0.15779    0.74717   
 C15819   C    1.90281    0.15198    0.79271   
 C15820   C    1.95270    0.14498    0.84384   
 C15821   C    1.95314    0.27656    0.62693   
 C15822   C    1.89257    0.22687    0.60858   
 C15823   C    1.89242    0.21040    0.63254   
 C15824   C    1.90555    0.20654    0.66716   
 C15825   C    1.87625    0.23042    0.58005   
 C15826   C    1.87760    0.19811    0.62612   
 C15827   C    1.86109    0.15335    0.67734   
 C15828   C    1.86208    0.16915    0.65037   
 C15829   C    1.84686    0.17468    0.62328   
 C15830   C    1.87620    0.15077    0.71023   
 C15831   C    1.87760    0.18088    0.65430   
 C15832   C    1.89254    0.16174    0.71506   
 C15833   C    1.89241    0.17724    0.68674   
 C15834   C    1.90554    0.19033    0.69366   
 C15835   C    1.86112    0.21848    0.57086   
 C15836   C    1.86210    0.20231    0.59617   
 C15837   C    1.84687    0.19089    0.59678   
 H15838   H    1.81458    0.11728    0.73902   
 H15839   H    1.82103    0.11901    0.58998   
 H15840   H    1.84640    0.14145    0.59785   
 H15841   H    1.84019    0.13951    0.74789   
 H15842   H    1.81536    0.25606    0.51325   
 H15843   H    1.82076    0.20653    0.44795   
 H15844   H    1.84691    0.19869    0.50340   
 H15845   H    1.84159    0.24855    0.56897   
 H15846   H    1.91500    0.28219    0.63345   
 H15847   H    1.95650    0.24212    0.61010   
 H15848   H    1.93019    0.22044    0.60561   
 H15849   H    1.88839    0.26077    0.62826   
 H15850   H    1.91424    0.14339    0.85917   
 H15851   H    1.95631    0.15498    0.75386   
 H15852   H    1.93021    0.16279    0.69823   
 H15853   H    1.88785    0.15102    0.80400   
 H15854   H    1.87603    0.24241    0.56157   
 H15855   H    1.83372    0.16784    0.62350   
 H15856   H    1.91547    0.21596    0.67852   
 H15857   H    1.87598    0.13915    0.73039   
 H15858   H    1.83373    0.19416    0.58048   
 H15859   H    1.91546    0.18964    0.72154   
 O15860   O    1.79502    0.09949    0.61874   
 O15861   O    1.79351    0.09784    0.69764   
 O15862   O    1.79258    0.25084    0.44983   
 O15863   O    1.79489    0.22452    0.41607   
 O15864   O    1.97048    0.27129    0.62469   
 O15865   O    1.94790    0.29217    0.63227   
 O15866   O    1.94762    0.14013    0.88445   
 O15867   O    1.96997    0.14674    0.82958   
 H15868   H    2.24548    0.20399    0.41881   
 H15869   H    2.26518    0.21115    0.47368   
 H15870   H    2.22289    0.20291    0.42669   
 O15871   O    2.26597    0.21051    0.44005   
 O15872   O    2.23265    0.20176    0.40269   
 H15873   H    2.27148    0.27037    0.44473   
 O15874   O    2.26597    0.26431    0.41850   
 H15875   H    2.26360    0.12443    0.62159   
 H15876   H    2.22398    0.11402    0.56503   
 H15877   H    2.25420    0.11280    0.58212   
 O15878   O    2.26663    0.11534    0.59958   
 O15879   O    2.23419    0.10587    0.55908   
 H15880   H    1.74572    0.20633    0.42933   
 H15881   H    1.77594    0.20018    0.42432   
 H15882   H    1.73629    0.21378    0.47557   
 O15883   O    1.76573    0.20205    0.40201   
 O15884   O    1.73327    0.21084    0.44351   
 H15885   H    1.79985    0.25136    0.35923   
 O15886   O    1.78605    0.25044    0.35614   
 H15887   H    1.77700    0.11356    0.57273   
 H15888   H    1.73469    0.12500    0.61442   
 H15889   H    1.75442    0.11047    0.57163   
 O15890   O    1.76723    0.10627    0.55880   
 O15891   O    1.73390    0.11434    0.59719   
 Zr15892  Zr   2.23191    0.26445    0.41514   
 Zr15893  Zr   2.27114    0.23504    0.41047   
 Zr15894  Zr   2.22839    0.08187    0.59098   
 Zr15895  Zr   1.76807    0.26446    0.41518   
 Zr15896  Zr   1.77153    0.22366    0.35929   
 Zr15897  Zr   1.72875    0.09325    0.64218   
 Zr15898  Zr   2.00032    0.28523    0.62426   
 O15899   O    2.24168    0.23956    0.40381   
 O15900   O    1.75704    0.23990    0.40535   
 C15901   C    1.25861    0.87262    0.71385   
 C15902   C    1.24494    0.88227    0.73898   
 C15903   C    1.23166    0.89243    0.71415   
 C15904   C    1.23233    0.89328    0.66550   
 C15905   C    1.24627    0.88392    0.64001   
 C15906   C    1.25919    0.87342    0.66519   
 C15907   C    1.25868    0.99483    0.51337   
 C15908   C    1.24479    0.99864    0.54765   
 C15909   C    1.23193    0.98563    0.56163   
 C15910   C    1.23313    0.96914    0.54241   
 C15911   C    1.24713    0.96515    0.50827   
 C15912   C    1.25976    0.97839    0.49396   
 C15913   C    1.24513    0.88181    0.79122   
 C15914   C    1.24454    1.01598    0.57024   
 C15915   C    1.25996    0.82239    0.48469   
 C15916   C    1.24667    0.81869    0.44899   
 C15917   C    1.23318    0.83134    0.43608   
 C15918   C    1.23327    0.84743    0.45774   
 C15919   C    1.24686    0.85142    0.49279   
 C15920   C    1.25998    0.83848    0.50630   
 C15921   C    1.26003    0.94291    0.28590   
 C15922   C    1.24639    0.93318    0.26094   
 C15923   C    1.23304    0.92309    0.28579   
 C15924   C    1.23362    0.92241    0.33445   
 C15925   C    1.24752    0.93188    0.35978   
 C15926   C    1.26050    0.94232    0.33458   
 C15927   C    1.24637    0.93367    0.20874   
 C15928   C    1.24704    0.80174    0.42444   
 C15929   C    1.24614    0.93251    0.40905   
 C15930   C    1.24529    0.91682    0.43657   
 C15931   C    1.24738    0.90078    0.41637   
 C15932   C    1.24733    0.94814    0.43490   
 C15933   C    1.24458    0.91694    0.48593   
 C15934   C    1.24608    0.88414    0.59098   
 C15935   C    1.24524    0.89983    0.56348   
 C15936   C    1.24733    0.91587    0.58366   
 C15937   C    1.24731    0.86850    0.56512   
 C15938   C    1.24457    0.89971    0.51409   
 C15939   C    1.24611    0.86737    0.51553   
 C15940   C    1.24527    0.88367    0.49077   
 C15941   C    1.24737    0.88457    0.44287   
 C15942   C    1.24611    0.94928    0.48449   
 C15943   C    1.24526    0.93299    0.50928   
 C15944   C    1.24733    0.93208    0.55716   
 H15945   H    1.26880    0.86471    0.73316   
 H15946   H    1.22111    0.89990    0.73372   
 H15947   H    1.22207    0.90141    0.64704   
 H15948   H    1.26995    0.86591    0.64635   
 H15949   H    1.26864    1.00493    0.50279   
 H15950   H    1.22128    0.98856    0.58843   
 H15951   H    1.22317    0.95920    0.55412   
 H15952   H    1.27066    0.97569    0.46752   
 H15953   H    1.27027    0.81248    0.49472   
 H15954   H    1.22274    0.82834    0.40895   
 H15955   H    1.22277    0.85712    0.44714   
 H15956   H    1.27047    0.84115    0.53377   
 H15957   H    1.27022    0.95079    0.26643   
 H15958   H    1.22228    0.91583    0.26632   
 H15959   H    1.22323    0.91446    0.35307   
 H15960   H    1.27123    0.94986    0.35338   
 H15961   H    1.25054    0.91697    0.61957   
 H15962   H    1.24780    0.95996    0.41560   
 H15963   H    1.24775    0.85669    0.58442   
 H15964   H    1.25062    0.89968    0.38045   
 H15965   H    1.25055    0.94329    0.57655   
 H15966   H    1.25061    0.87336    0.42347   
 O15967   O    1.25784    1.02640    0.55843   
 O15968   O    1.23187    0.88980    0.81288   
 O15969   O    1.25898    0.87361    0.81018   
 O15970   O    1.23140    1.01900    0.60023   
 O15971   O    1.23491    0.79936    0.39169   
 O15972   O    1.25957    0.79092    0.43823   
 O15973   O    1.25843    0.94379    0.18958   
 O15974   O    1.23439    0.92406    0.18735   
 C15975   C    1.73996    0.82249    0.48268   
 C15976   C    1.75361    0.81885    0.44779   
 C15977   C    1.76696    0.83165    0.43518   
 C15978   C    1.76639    0.84786    0.45622   
 C15979   C    1.75251    0.85174    0.49073   
 C15980   C    1.73948    0.83865    0.50395   
 C15981   C    1.74015    0.94358    0.28673   
 C15982   C    1.75339    0.93359    0.26127   
 C15983   C    1.76689    0.92351    0.28558   
 C15984   C    1.76684    0.92310    0.33428   
 C15985   C    1.75328    0.93272    0.36016   
 C15986   C    1.74014    0.94315    0.33543   
 C15987   C    1.75299    0.93344    0.20916   
 C15988   C    1.75366    0.80157    0.42473   
 C15989   C    1.74099    0.87248    0.71400   
 C15990   C    1.75488    0.88181    0.73915   
 C15991   C    1.76772    0.89252    0.71472   
 C15992   C    1.76653    0.89402    0.66618   
 C15993   C    1.75259    0.88474    0.64057   
 C15994   C    1.73992    0.87387    0.66548   
 C15995   C    1.74127    0.99471    0.51386   
 C15996   C    1.75492    0.99836    0.54878   
 C15997   C    1.76822    0.98551    0.56138   
 C15998   C    1.76752    0.96928    0.54052   
 C15999   C    1.75360    0.96536    0.50615   
 C16000   C    1.74067    0.97851    0.49279   
 C16001   C    1.75520    0.88097    0.79125   
 C16002   C    1.75469    1.01556    0.57235   
 C16003   C    1.75380    0.94928    0.48449   
 C16004   C    1.75464    0.93298    0.50926   
 C16005   C    1.75254    0.93208    0.55715   
 C16006   C    1.75261    0.94815    0.43492   
 C16007   C    1.75534    0.91694    0.48593   
 C16008   C    1.75380    0.86737    0.51553   
 C16009   C    1.75465    0.88366    0.49074   
 C16010   C    1.75257    0.88456    0.44286   
 C16011   C    1.75256    0.86850    0.56510   
 C16012   C    1.75533    0.89971    0.51410   
 C16013   C    1.75377    0.88414    0.59097   
 C16014   C    1.75462    0.89983    0.56346   
 C16015   C    1.75253    0.91587    0.58366   
 C16016   C    1.75383    0.93250    0.40905   
 C16017   C    1.75466    0.91681    0.43654   
 C16018   C    1.75258    0.90078    0.41636   
 H16019   H    1.72977    0.81246    0.49252   
 H16020   H    1.77773    0.82870    0.40870   
 H16021   H    1.77679    0.85765    0.44584   
 H16022   H    1.72876    0.84124    0.53082   
 H16023   H    1.72985    0.95145    0.26761   
 H16024   H    1.77729    0.91601    0.26571   
 H16025   H    1.77734    0.91515    0.35256   
 H16026   H    1.72969    0.95088    0.35458   
 H16027   H    1.73103    0.86427    0.73312   
 H16028   H    1.77836    0.89987    0.73437   
 H16029   H    1.77651    0.90251    0.64789   
 H16030   H    1.72904    0.86654    0.64660   
 H16031   H    1.73110    1.00473    0.50399   
 H16032   H    1.77880    0.98833    0.58846   
 H16033   H    1.77780    0.95943    0.55129   
 H16034   H    1.72991    0.97592    0.46597   
 H16035   H    1.75215    0.95996    0.41561   
 H16036   H    1.74935    0.87336    0.42348   
 H16037   H    1.74930    0.94329    0.57655   
 H16038   H    1.75210    0.85669    0.58442   
 H16039   H    1.74937    0.89968    0.38045   
 H16040   H    1.74929    0.91697    0.61958   
 O16041   O    1.76568    0.79903    0.39182   
 O16042   O    1.74160    0.79057    0.44009   
 O16043   O    1.74048    0.94298    0.18961   
 O16044   O    1.76511    0.92385    0.18820   
 O16045   O    1.74081    1.02555    0.56169   
 O16046   O    1.74193    0.87219    0.81063   
 O16047   O    1.76837    0.88930    0.81251   
 O16048   O    1.76790    1.01889    0.60178   
 H16049   H    1.70015    0.75230    0.35749   
 O16050   O    1.71396    0.75170    0.35391   
 H16051   H    1.22848    0.77133    0.44307   
 O16052   O    1.23400    0.76557    0.41632   
 H16053   H    1.79613    1.02902    0.59131   
 H16054   H    1.80049    1.04906    0.59497   
 H16055   H    1.79964    1.06594    0.53500   
 O16056   O    1.79935    1.06758    0.56843   
 O16057   O    1.79909    1.03799    0.61371   
 H16058   H    1.47166    1.01854    0.43649   
 O16059   O    1.47996    1.01324    0.41354   
 H16060   H    1.52820    0.96801    0.40049   
 O16061   O    1.52014    0.97661    0.38587   
 H16062   H    1.51355    0.80642    0.49320   
 H16063   H    1.50024    0.79354    0.52176   
 H16064   H    1.51056    0.76908    0.54766   
 O16065   O    1.49966    0.77639    0.55448   
 O16066   O    1.50074    0.80533    0.50627   
 H16067   H    1.51072    1.04759    0.45223   
 H16068   H    1.50034    1.02317    0.47822   
 H16069   H    1.51362    1.01031    0.50677   
 O16070   O    1.50080    1.01139    0.49372   
 O16071   O    1.49980    1.04032    0.44542   
 H16072   H    1.49968    0.86393    0.58692   
 H16073   H    1.48918    0.85431    0.52100   
 H16074   H    1.48651    0.87454    0.62188   
 O16075   O    1.50017    0.85181    0.54051   
 O16076   O    1.49929    0.86967    0.61884   
 H16077   H    1.47154    0.79811    0.56352   
 O16078   O    1.47984    0.80342    0.58640   
 H16079   H    1.52814    0.84872    0.59942   
 O16080   O    1.52007    0.84012    0.61404   
 H16081   H    1.48658    0.94215    0.37809   
 H16082   H    1.48926    0.96240    0.47895   
 H16083   H    1.49976    0.95277    0.41305   
 O16084   O    1.49937    0.94702    0.38116   
 O16085   O    1.50026    0.96490    0.45946   
 Zr16086  Zr   1.26807    1.05207    0.58473   
 Zr16087  Zr   1.73176    1.05206    0.58469   
 Zr16088  Zr   1.46384    1.00000    0.35013   
 Zr16089  Zr   1.49954    0.82608    0.56467   
 Zr16090  Zr   1.49961    0.99061    0.43528   
 O16091   O    1.27600    1.06484    0.64542   
 O16092   O    1.74296    0.77271    0.35172   
 O16093   O    1.76069    1.05501    0.60121   
 O16094   O    1.25833    0.77237    0.35019   
 O16095   O    1.51523    0.80742    0.60470   
 O16096   O    1.48456    0.83339    0.62456   
 O16097   O    1.48463    0.98326    0.37541   
 O16098   O    1.51534    1.00931    0.39520   
 C16099   C    1.67754    0.62239    0.70953   
 C16100   C    1.68368    0.61678    0.66524   
 C16101   C    1.67455    0.62339    0.62522   
 C16102   C    1.65992    0.63561    0.62943   
 C16103   C    1.65401    0.64165    0.67368   
 C16104   C    1.66291    0.63458    0.71363   
 C16105   C    1.67816    0.74305    0.51140   
 C16106   C    1.68383    0.73120    0.47691   
 C16107   C    1.67461    0.71509    0.47468   
 C16108   C    1.66035    0.71078    0.50699   
 C16109   C    1.65482    0.72246    0.54230   
 C16110   C    1.66380    0.73876    0.54345   
 C16111   C    1.69953    0.73588    0.44354   
 C16112   C    1.69984    0.60425    0.66056   
 C16113   C    1.58181    0.76906    0.62282   
 C16114   C    1.56249    0.76405    0.61713   
 C16115   C    1.55819    0.74651    0.61084   
 C16116   C    1.57288    0.73422    0.61087   
 C16117   C    1.59232    0.73911    0.61672   
 C16118   C    1.59648    0.75679    0.62242   
 C16119   C    1.58173    0.64666    0.82223   
 C16120   C    1.56240    0.64755    0.80772   
 C16121   C    1.55834    0.65302    0.76191   
 C16122   C    1.57318    0.65794    0.73191   
 C16123   C    1.59260    0.65747    0.74651   
 C16124   C    1.59658    0.65147    0.79205   
 C16125   C    1.54682    0.77717    0.62023   
 C16126   C    1.54669    0.64309    0.84141   
 C16127   C    1.63874    0.71848    0.57086   
 C16128   C    1.63774    0.70230    0.59615   
 C16129   C    1.65299    0.69089    0.59676   
 C16130   C    1.62361    0.73042    0.58004   
 C16131   C    1.62223    0.69811    0.62613   
 C16132   C    1.60723    0.66174    0.71506   
 C16133   C    1.60739    0.67724    0.68671   
 C16134   C    1.59424    0.69033    0.69365   
 C16135   C    1.62357    0.65077    0.71024   
 C16136   C    1.62222    0.68088    0.65430   
 C16137   C    1.63871    0.65335    0.67734   
 C16138   C    1.63772    0.66915    0.65035   
 C16139   C    1.65298    0.67468    0.62326   
 C16140   C    1.60726    0.72687    0.60858   
 C16141   C    1.60740    0.71039    0.63251   
 C16142   C    1.59425    0.70654    0.66715   
 H16143   H    1.68458    0.61710    0.74036   
 H16144   H    1.67913    0.61883    0.59107   
 H16145   H    1.65306    0.64067    0.59803   
 H16146   H    1.65842    0.63883    0.74823   
 H16147   H    1.68527    0.75554    0.51265   
 H16148   H    1.67880    0.70609    0.44739   
 H16149   H    1.65343    0.69821    0.50485   
 H16150   H    1.65964    0.74805    0.57009   
 H16151   H    1.58502    0.78265    0.62791   
 H16152   H    1.54320    0.74266    0.60691   
 H16153   H    1.56925    0.72066    0.60637   
 H16154   H    1.61135    0.76093    0.62694   
 H16155   H    1.58481    0.64231    0.85758   
 H16156   H    1.54336    0.65372    0.75067   
 H16157   H    1.56970    0.66237    0.69678   
 H16158   H    1.61144    0.65077    0.80410   
 H16159   H    1.62385    0.74241    0.56157   
 H16160   H    1.58431    0.68964    0.72155   
 H16161   H    1.66613    0.69416    0.58047   
 H16162   H    1.62380    0.63915    0.73038   
 H16163   H    1.58432    0.71596    0.67852   
 H16164   H    1.66612    0.66784    0.62349   
 O16165   O    1.70498    0.60000    0.61941   
 O16166   O    1.70729    0.59875    0.69831   
 O16167   O    1.70639    0.75103    0.44700   
 O16168   O    1.70490    0.72450    0.41422   
 O16169   O    1.55189    0.64003    0.88328   
 O16170   O    1.55191    0.79248    0.63024   
 O16171   O    1.52957    0.77211    0.61366   
 O16172   O    1.52943    0.64299    0.82655   
 C16173   C    1.32168    0.62270    0.70848   
 C16174   C    1.31601    0.61692    0.66399   
 C16175   C    1.32522    0.62372    0.62436   
 C16176   C    1.33949    0.63628    0.62899   
 C16177   C    1.34505    0.64238    0.67349   
 C16178   C    1.33603    0.63516    0.71313   
 C16179   C    1.32241    0.74357    0.51156   
 C16180   C    1.31625    0.73169    0.47761   
 C16181   C    1.32539    0.71557    0.47474   
 C16182   C    1.34006    0.71126    0.50591   
 C16183   C    1.34600    0.72292    0.54096   
 C16184   C    1.33709    0.73923    0.54266   
 C16185   C    1.30006    0.73597    0.44540   
 C16186   C    1.30034    0.60381    0.65967   
 C16187   C    1.41809    0.76862    0.62736   
 C16188   C    1.43741    0.76349    0.62278   
 C16189   C    1.44154    0.74603    0.61446   
 C16190   C    1.42671    0.73392    0.61186   
 C16191   C    1.40727    0.73892    0.61726   
 C16192   C    1.40327    0.75654    0.62443   
 C16193   C    1.41749    0.64766    0.82385   
 C16194   C    1.43689    0.64894    0.81018   
 C16195   C    1.44128    0.65426    0.76446   
 C16196   C    1.42657    0.65860    0.73345   
 C16197   C    1.40705    0.65779    0.74717   
 C16198   C    1.40281    0.65198    0.79271   
 C16199   C    1.45270    0.64498    0.84384   
 C16200   C    1.45314    0.77656    0.62693   
 C16201   C    1.39257    0.72687    0.60858   
 C16202   C    1.39242    0.71040    0.63254   
 C16203   C    1.40555    0.70654    0.66716   
 C16204   C    1.37625    0.73042    0.58005   
 C16205   C    1.37760    0.69811    0.62612   
 C16206   C    1.36109    0.65335    0.67734   
 C16207   C    1.36208    0.66915    0.65037   
 C16208   C    1.34686    0.67468    0.62328   
 C16209   C    1.37620    0.65077    0.71023   
 C16210   C    1.37760    0.68088    0.65430   
 C16211   C    1.39254    0.66174    0.71506   
 C16212   C    1.39241    0.67724    0.68674   
 C16213   C    1.40554    0.69033    0.69366   
 C16214   C    1.36112    0.71848    0.57086   
 C16215   C    1.36210    0.70231    0.59617   
 C16216   C    1.34687    0.69089    0.59678   
 H16217   H    1.31458    0.61728    0.73902   
 H16218   H    1.32103    0.61901    0.58998   
 H16219   H    1.34640    0.64145    0.59785   
 H16220   H    1.34019    0.63951    0.74789   
 H16221   H    1.31536    0.75606    0.51325   
 H16222   H    1.32076    0.70653    0.44795   
 H16223   H    1.34691    0.69869    0.50340   
 H16224   H    1.34159    0.74855    0.56897   
 H16225   H    1.41500    0.78219    0.63345   
 H16226   H    1.45650    0.74212    0.61010   
 H16227   H    1.43019    0.72044    0.60561   
 H16228   H    1.38839    0.76077    0.62826   
 H16229   H    1.41424    0.64339    0.85917   
 H16230   H    1.45631    0.65498    0.75386   
 H16231   H    1.43021    0.66279    0.69823   
 H16232   H    1.38785    0.65102    0.80400   
 H16233   H    1.37603    0.74241    0.56157   
 H16234   H    1.33372    0.66784    0.62350   
 H16235   H    1.41547    0.71596    0.67852   
 H16236   H    1.37598    0.63915    0.73039   
 H16237   H    1.33373    0.69416    0.58048   
 H16238   H    1.41546    0.68964    0.72154   
 O16239   O    1.29502    0.59949    0.61874   
 O16240   O    1.29351    0.59784    0.69764   
 O16241   O    1.29258    0.75084    0.44983   
 O16242   O    1.29489    0.72452    0.41607   
 O16243   O    1.47048    0.77129    0.62469   
 O16244   O    1.44790    0.79217    0.63227   
 O16245   O    1.44762    0.64013    0.88445   
 O16246   O    1.46997    0.64674    0.82958   
 H16247   H    1.74548    0.70399    0.41881   
 H16248   H    1.76518    0.71115    0.47368   
 H16249   H    1.72289    0.70291    0.42669   
 O16250   O    1.76597    0.71051    0.44005   
 O16251   O    1.73265    0.70176    0.40269   
 H16252   H    1.77148    0.77037    0.44473   
 O16253   O    1.76597    0.76431    0.41850   
 H16254   H    1.76360    0.62443    0.62159   
 H16255   H    1.72398    0.61402    0.56503   
 H16256   H    1.75420    0.61280    0.58212   
 O16257   O    1.76663    0.61534    0.59958   
 O16258   O    1.73419    0.60587    0.55908   
 H16259   H    1.24572    0.70633    0.42933   
 H16260   H    1.27594    0.70018    0.42432   
 H16261   H    1.23629    0.71378    0.47557   
 O16262   O    1.26573    0.70205    0.40201   
 O16263   O    1.23327    0.71084    0.44351   
 H16264   H    1.29985    0.75136    0.35923   
 O16265   O    1.28605    0.75044    0.35614   
 H16266   H    1.27700    0.61356    0.57273   
 H16267   H    1.23469    0.62500    0.61442   
 H16268   H    1.25442    0.61047    0.57163   
 O16269   O    1.26723    0.60627    0.55880   
 O16270   O    1.23390    0.61434    0.59719   
 Zr16271  Zr   1.73191    0.76445    0.41514   
 Zr16272  Zr   1.77114    0.73504    0.41047   
 Zr16273  Zr   1.72839    0.58187    0.59098   
 Zr16274  Zr   1.26807    0.76446    0.41518   
 Zr16275  Zr   1.27153    0.72366    0.35929   
 Zr16276  Zr   1.22875    0.59325    0.64218   
 Zr16277  Zr   1.50032    0.78523    0.62426   
 O16278   O    1.74168    0.73956    0.40381   
 O16279   O    1.25704    0.73990    0.40535   
 H16280   H    3.68962    0.24211    0.42663   
 H16281   H    3.69907    0.26727    0.40396   
 H16282   H    3.69013    0.27666    0.35978   
 O16283   O    3.69999    0.27795    0.38348   
 O16284   O    3.70078    0.24918    0.43253   
 C16285   C    3.32298    0.07295    0.49128   
 C16286   C    3.31757    0.08455    0.52662   
 C16287   C    3.32611    0.10096    0.52778   
 C16288   C    3.33961    0.10574    0.49402   
 C16289   C    3.34511    0.09421    0.45830   
 C16290   C    3.33659    0.07769    0.45781   
 C16291   C    3.32324    0.19530    0.29164   
 C16292   C    3.31757    0.20108    0.33614   
 C16293   C    3.32680    0.19423    0.37574   
 C16294   C    3.34093    0.18159    0.37105   
 C16295   C    3.34643    0.17543    0.32656   
 C16296   C    3.33749    0.18275    0.28699   
 C16297   C    3.30220    0.07970    0.56066   
 C16298   C    3.30164    0.21397    0.34032   
 C16299   C    3.41774    0.16882    0.17610   
 C16300   C    3.43716    0.16763    0.18978   
 C16301   C    3.44151    0.16229    0.23553   
 C16302   C    3.42679    0.15789    0.26648   
 C16303   C    3.40728    0.15862    0.25268   
 C16304   C    3.40306    0.16444    0.20713   
 C16305   C    3.41823    0.04787    0.37293   
 C16306   C    3.43754    0.05306    0.37747   
 C16307   C    3.44166    0.07053    0.38580   
 C16308   C    3.42682    0.08260    0.38840   
 C16309   C    3.40740    0.07756    0.38295   
 C16310   C    3.40340    0.05993    0.37583   
 C16311   C    3.45327    0.04002    0.37321   
 C16312   C    3.45296    0.17165    0.15618   
 C16313   C    3.36120    0.16330    0.32268   
 C16314   C    3.36219    0.14750    0.34967   
 C16315   C    3.34693    0.14197    0.37676   
 C16316   C    3.37634    0.16588    0.28978   
 C16317   C    3.37769    0.13576    0.34573   
 C16318   C    3.39264    0.08978    0.39144   
 C16319   C    3.39250    0.10626    0.36751   
 C16320   C    3.40566    0.11011    0.33287   
 C16321   C    3.37630    0.08623    0.41998   
 C16322   C    3.37768    0.11853    0.37389   
 C16323   C    3.36116    0.09816    0.42916   
 C16324   C    3.36217    0.11434    0.40387   
 C16325   C    3.34692    0.12576    0.40327   
 C16326   C    3.39268    0.15491    0.28496   
 C16327   C    3.39252    0.13941    0.31331   
 C16328   C    3.40567    0.12632    0.30637   
 H16329   H    3.31625    0.06031    0.49042   
 H16330   H    3.32173    0.10997    0.55495   
 H16331   H    3.34594    0.11858    0.49528   
 H16332   H    3.34059    0.06853    0.43068   
 H16333   H    3.31617    0.20072    0.26111   
 H16334   H    3.32238    0.19870    0.41022   
 H16335   H    3.34771    0.17629    0.40224   
 H16336   H    3.34161    0.17838    0.25218   
 H16337   H    3.41449    0.17310    0.14074   
 H16338   H    3.45653    0.16163    0.24620   
 H16339   H    3.43042    0.15368    0.30173   
 H16340   H    3.38810    0.16537    0.19583   
 H16341   H    3.41516    0.03430    0.36682   
 H16342   H    3.45662    0.07443    0.39015   
 H16343   H    3.43030    0.09608    0.39464   
 H16344   H    3.38851    0.05572    0.37198   
 H16345   H    3.37611    0.17750    0.26964   
 H16346   H    3.41559    0.10069    0.32150   
 H16347   H    3.33379    0.14881    0.37653   
 H16348   H    3.37606    0.07424    0.43845   
 H16349   H    3.41560    0.12701    0.27847   
 H16350   H    3.33378    0.12249    0.41956   
 O16351   O    3.29297    0.21794    0.30260   
 O16352   O    3.29404    0.06521    0.55435   
 O16353   O    3.29811    0.09045    0.59282   
 O16354   O    3.29759    0.21974    0.38073   
 O16355   O    3.47023    0.16993    0.17048   
 O16356   O    3.44790    0.17650    0.11555   
 O16357   O    3.44805    0.02443    0.36778   
 O16358   O    3.47061    0.04534    0.37535   
 C16359   C    3.67685    0.07311    0.49115   
 C16360   C    3.68254    0.08488    0.52586   
 C16361   C    3.67339    0.10102    0.52793   
 C16362   C    3.65928    0.10546    0.49541   
 C16363   C    3.65376    0.09385    0.45981   
 C16364   C    3.66267    0.07753    0.45882   
 C16365   C    3.67672    0.19537    0.29092   
 C16366   C    3.68216    0.20142    0.33532   
 C16367   C    3.67349    0.19415    0.37511   
 C16368   C    3.65997    0.18094    0.37060   
 C16369   C    3.65453    0.17468    0.32624   
 C16370   C    3.66310    0.18226    0.28649   
 C16371   C    3.69838    0.08015    0.55889   
 C16372   C    3.69761    0.21472    0.33971   
 C16373   C    3.58190    0.16989    0.17764   
 C16374   C    3.56255    0.16904    0.19205   
 C16375   C    3.55841    0.16352    0.23774   
 C16376   C    3.57319    0.15855    0.26788   
 C16377   C    3.59264    0.15902    0.25340   
 C16378   C    3.59667    0.16502    0.20793   
 C16379   C    3.58205    0.04762    0.37782   
 C16380   C    3.56273    0.05267    0.38337   
 C16381   C    3.55851    0.07023    0.38984   
 C16382   C    3.57325    0.08247    0.38996   
 C16383   C    3.59269    0.07755    0.38405   
 C16384   C    3.59676    0.05986    0.37833   
 C16385   C    3.54692    0.17362    0.15833   
 C16386   C    3.54700    0.03957    0.37988   
 C16387   C    3.60737    0.15491    0.28496   
 C16388   C    3.60750    0.13941    0.31328   
 C16389   C    3.59437    0.12632    0.30636   
 C16390   C    3.62370    0.16587    0.28977   
 C16391   C    3.62232    0.13577    0.34574   
 C16392   C    3.63878    0.09816    0.42916   
 C16393   C    3.63781    0.11434    0.40385   
 C16394   C    3.65304    0.12576    0.40325   
 C16395   C    3.62367    0.08623    0.41999   
 C16396   C    3.62230    0.11853    0.37389   
 C16397   C    3.60733    0.08978    0.39144   
 C16398   C    3.60749    0.10625    0.36748   
 C16399   C    3.59436    0.11010    0.33286   
 C16400   C    3.63882    0.16330    0.32268   
 C16401   C    3.63783    0.14749    0.34965   
 C16402   C    3.65305    0.14197    0.37675   
 H16403   H    3.68390    0.06059    0.48980   
 H16404   H    3.67785    0.11013    0.55484   
 H16405   H    3.65255    0.11812    0.49733   
 H16406   H    3.65853    0.06826    0.43204   
 H16407   H    3.68350    0.20100    0.26026   
 H16408   H    3.67784    0.19876    0.40947   
 H16409   H    3.65360    0.17536    0.40193   
 H16410   H    3.65912    0.17772    0.25179   
 H16411   H    3.58505    0.17425    0.14233   
 H16412   H    3.54342    0.16285    0.24879   
 H16413   H    3.56963    0.15411    0.30293   
 H16414   H    3.61158    0.16568    0.19600   
 H16415   H    3.58522    0.03403    0.37270   
 H16416   H    3.54355    0.07412    0.39374   
 H16417   H    3.56966    0.09602    0.39450   
 H16418   H    3.61165    0.05569    0.37389   
 H16419   H    3.66618    0.12249    0.41955   
 H16420   H    3.62393    0.17750    0.26964   
 H16421   H    3.62388    0.07423    0.43845   
 H16422   H    3.58445    0.12701    0.27848   
 H16423   H    3.66619    0.14881    0.37652   
 H16424   H    3.58444    0.10069    0.32151   
 O16425   O    3.70587    0.21939    0.30205   
 O16426   O    3.70239    0.09062    0.59167   
 O16427   O    3.70700    0.06596    0.55091   
 O16428   O    3.70172    0.22014    0.38052   
 O16429   O    3.55206    0.02427    0.36970   
 O16430   O    3.52965    0.17375    0.17321   
 O16431   O    3.55214    0.17673    0.11651   
 O16432   O    3.52976    0.04466    0.38633   
 H16433   H    3.26464    0.08720    0.54810   
 O16434   O    3.26077    0.08178    0.57700   
 H16435   H    3.30984    0.24065    0.41878   
 H16436   H    3.30089    0.25946    0.41691   
 H16437   H    3.31037    0.27864    0.36728   
 O16438   O    3.29918    0.27722    0.38692   
 O16439   O    3.29999    0.24779    0.43288   
 H16440   H    3.20025    0.02943    0.59446   
 H16441   H    3.19933    0.05686    0.58199   
 H16442   H    3.20368    0.06502    0.53231   
 O16443   O    3.20073    0.06815    0.56425   
 O16444   O    3.20050    0.03954    0.61402   
 H16445   H    3.26350    0.20681    0.35061   
 O16446   O    3.25930    0.21868    0.35067   
 H16447   H    3.73643    0.08687    0.54662   
 O16448   O    3.74061    0.08136    0.57513   
 H16449   H    3.73529    0.20712    0.35199   
 O16450   O    3.73916    0.21908    0.35249   
 Zr16451  Zr   3.27367    0.09163    0.64655   
 Zr16452  Zr   3.22667    0.22462    0.35203   
 Zr16453  Zr   3.77326    0.07908    0.59009   
 Zr16454  Zr   3.72623    0.23717    0.40848   
 Zr16455  Zr   3.50045    0.03148    0.37567   
 Zr16456  Zr   3.53629    0.00007    0.35006   
 O16457   O    3.23916    0.05612    0.59934   
 O16458   O    3.72381    0.06594    0.64351   
 C16459   C    3.25861    -0.12738   0.71385   
 C16460   C    3.24494    -0.11773   0.73898   
 C16461   C    3.23166    -0.10757   0.71415   
 C16462   C    3.23233    -0.10672   0.66550   
 C16463   C    3.24627    -0.11608   0.64001   
 C16464   C    3.25919    -0.12658   0.66519   
 C16465   C    3.25868    -0.00517   0.51337   
 C16466   C    3.24479    -0.00136   0.54765   
 C16467   C    3.23193    -0.01437   0.56163   
 C16468   C    3.23313    -0.03086   0.54241   
 C16469   C    3.24713    -0.03485   0.50827   
 C16470   C    3.25976    -0.02161   0.49396   
 C16471   C    3.24513    -0.11819   0.79122   
 C16472   C    3.24454    0.01598    0.57024   
 C16473   C    3.25996    -0.17761   0.48469   
 C16474   C    3.24667    -0.18131   0.44899   
 C16475   C    3.23318    -0.16866   0.43608   
 C16476   C    3.23327    -0.15257   0.45774   
 C16477   C    3.24686    -0.14858   0.49279   
 C16478   C    3.25998    -0.16152   0.50630   
 C16479   C    3.26003    -0.05709   0.28590   
 C16480   C    3.24639    -0.06682   0.26094   
 C16481   C    3.23304    -0.07691   0.28579   
 C16482   C    3.23362    -0.07759   0.33445   
 C16483   C    3.24752    -0.06812   0.35978   
 C16484   C    3.26050    -0.05768   0.33458   
 C16485   C    3.24637    -0.06633   0.20874   
 C16486   C    3.24704    -0.19826   0.42444   
 C16487   C    3.24614    -0.06749   0.40905   
 C16488   C    3.24529    -0.08318   0.43657   
 C16489   C    3.24738    -0.09922   0.41637   
 C16490   C    3.24733    -0.05186   0.43490   
 C16491   C    3.24458    -0.08306   0.48593   
 C16492   C    3.24608    -0.11586   0.59098   
 C16493   C    3.24524    -0.10017   0.56348   
 C16494   C    3.24733    -0.08413   0.58366   
 C16495   C    3.24731    -0.13150   0.56512   
 C16496   C    3.24457    -0.10029   0.51409   
 C16497   C    3.24611    -0.13263   0.51553   
 C16498   C    3.24527    -0.11633   0.49077   
 C16499   C    3.24737    -0.11543   0.44287   
 C16500   C    3.24611    -0.05072   0.48449   
 C16501   C    3.24526    -0.06701   0.50928   
 C16502   C    3.24733    -0.06792   0.55716   
 H16503   H    3.26880    -0.13529   0.73316   
 H16504   H    3.22111    -0.10010   0.73372   
 H16505   H    3.22207    -0.09859   0.64704   
 H16506   H    3.26995    -0.13409   0.64635   
 H16507   H    3.26864    0.00493    0.50279   
 H16508   H    3.22128    -0.01144   0.58843   
 H16509   H    3.22317    -0.04080   0.55412   
 H16510   H    3.27066    -0.02431   0.46752   
 H16511   H    3.27027    -0.18752   0.49472   
 H16512   H    3.22274    -0.17166   0.40895   
 H16513   H    3.22277    -0.14288   0.44714   
 H16514   H    3.27047    -0.15885   0.53377   
 H16515   H    3.27022    -0.04921   0.26643   
 H16516   H    3.22228    -0.08417   0.26632   
 H16517   H    3.22323    -0.08554   0.35307   
 H16518   H    3.27123    -0.05014   0.35338   
 H16519   H    3.25054    -0.08303   0.61957   
 H16520   H    3.24780    -0.04004   0.41560   
 H16521   H    3.24775    -0.14331   0.58442   
 H16522   H    3.25062    -0.10032   0.38045   
 H16523   H    3.25055    -0.05671   0.57655   
 H16524   H    3.25061    -0.12664   0.42347   
 O16525   O    3.25784    0.02640    0.55843   
 O16526   O    3.23187    -0.11020   0.81288   
 O16527   O    3.25898    -0.12639   0.81018   
 O16528   O    3.23140    0.01900    0.60023   
 O16529   O    3.23491    -0.20064   0.39169   
 O16530   O    3.25957    -0.20908   0.43823   
 O16531   O    3.25843    -0.05621   0.18958   
 O16532   O    3.23439    -0.07594   0.18735   
 C16533   C    3.73996    -0.17751   0.48268   
 C16534   C    3.75361    -0.18115   0.44779   
 C16535   C    3.76696    -0.16835   0.43518   
 C16536   C    3.76639    -0.15214   0.45622   
 C16537   C    3.75251    -0.14826   0.49073   
 C16538   C    3.73948    -0.16135   0.50395   
 C16539   C    3.74015    -0.05642   0.28673   
 C16540   C    3.75339    -0.06641   0.26127   
 C16541   C    3.76689    -0.07649   0.28558   
 C16542   C    3.76684    -0.07690   0.33428   
 C16543   C    3.75328    -0.06728   0.36016   
 C16544   C    3.74014    -0.05685   0.33543   
 C16545   C    3.75299    -0.06656   0.20916   
 C16546   C    3.75366    -0.19843   0.42473   
 C16547   C    3.74099    -0.12752   0.71400   
 C16548   C    3.75488    -0.11819   0.73915   
 C16549   C    3.76772    -0.10748   0.71472   
 C16550   C    3.76653    -0.10598   0.66618   
 C16551   C    3.75259    -0.11526   0.64057   
 C16552   C    3.73992    -0.12613   0.66548   
 C16553   C    3.74127    -0.00529   0.51386   
 C16554   C    3.75492    -0.00164   0.54878   
 C16555   C    3.76822    -0.01449   0.56138   
 C16556   C    3.76752    -0.03072   0.54052   
 C16557   C    3.75360    -0.03464   0.50615   
 C16558   C    3.74067    -0.02149   0.49279   
 C16559   C    3.75520    -0.11903   0.79125   
 C16560   C    3.75469    0.01556    0.57235   
 C16561   C    3.75380    -0.05072   0.48449   
 C16562   C    3.75464    -0.06702   0.50926   
 C16563   C    3.75254    -0.06792   0.55715   
 C16564   C    3.75261    -0.05185   0.43492   
 C16565   C    3.75534    -0.08306   0.48593   
 C16566   C    3.75380    -0.13263   0.51553   
 C16567   C    3.75465    -0.11634   0.49074   
 C16568   C    3.75257    -0.11544   0.44286   
 C16569   C    3.75256    -0.13150   0.56510   
 C16570   C    3.75533    -0.10029   0.51410   
 C16571   C    3.75377    -0.11586   0.59097   
 C16572   C    3.75462    -0.10017   0.56346   
 C16573   C    3.75253    -0.08413   0.58366   
 C16574   C    3.75383    -0.06750   0.40905   
 C16575   C    3.75466    -0.08319   0.43654   
 C16576   C    3.75258    -0.09922   0.41636   
 H16577   H    3.72977    -0.18754   0.49252   
 H16578   H    3.77773    -0.17130   0.40870   
 H16579   H    3.77679    -0.14235   0.44584   
 H16580   H    3.72876    -0.15876   0.53082   
 H16581   H    3.72985    -0.04855   0.26761   
 H16582   H    3.77729    -0.08399   0.26571   
 H16583   H    3.77734    -0.08485   0.35256   
 H16584   H    3.72969    -0.04912   0.35458   
 H16585   H    3.73103    -0.13573   0.73312   
 H16586   H    3.77836    -0.10013   0.73437   
 H16587   H    3.77651    -0.09749   0.64789   
 H16588   H    3.72904    -0.13346   0.64660   
 H16589   H    3.73110    0.00473    0.50399   
 H16590   H    3.77880    -0.01167   0.58846   
 H16591   H    3.77780    -0.04057   0.55129   
 H16592   H    3.72991    -0.02408   0.46597   
 H16593   H    3.75215    -0.04004   0.41561   
 H16594   H    3.74935    -0.12664   0.42348   
 H16595   H    3.74930    -0.05671   0.57655   
 H16596   H    3.75210    -0.14331   0.58442   
 H16597   H    3.74937    -0.10032   0.38045   
 H16598   H    3.74929    -0.08303   0.61958   
 O16599   O    3.76568    -0.20097   0.39182   
 O16600   O    3.74160    -0.20943   0.44009   
 O16601   O    3.74048    -0.05702   0.18961   
 O16602   O    3.76511    -0.07615   0.18820   
 O16603   O    3.74081    0.02555    0.56169   
 O16604   O    3.74193    -0.12781   0.81063   
 O16605   O    3.76837    -0.11070   0.81251   
 O16606   O    3.76790    0.01889    0.60178   
 H16607   H    3.70015    -0.24770   0.35749   
 O16608   O    3.71396    -0.24830   0.35391   
 H16609   H    3.22848    -0.22867   0.44307   
 O16610   O    3.23400    -0.23443   0.41632   
 H16611   H    3.79613    0.02902    0.59131   
 H16612   H    3.80049    0.04906    0.59497   
 H16613   H    3.79964    0.06594    0.53500   
 O16614   O    3.79935    0.06758    0.56843   
 O16615   O    3.79909    0.03799    0.61371   
 H16616   H    3.47166    0.01854    0.43649   
 O16617   O    3.47996    0.01324    0.41354   
 H16618   H    3.52820    -0.03199   0.40049   
 O16619   O    3.52014    -0.02339   0.38587   
 H16620   H    3.51355    -0.19358   0.49320   
 H16621   H    3.50024    -0.20646   0.52176   
 H16622   H    3.51056    -0.23092   0.54766   
 O16623   O    3.49966    -0.22361   0.55448   
 O16624   O    3.50074    -0.19467   0.50627   
 H16625   H    3.51072    0.04759    0.45223   
 H16626   H    3.50034    0.02317    0.47822   
 H16627   H    3.51362    0.01031    0.50677   
 O16628   O    3.50080    0.01139    0.49372   
 O16629   O    3.49980    0.04032    0.44542   
 H16630   H    3.49968    -0.13607   0.58692   
 H16631   H    3.48918    -0.14569   0.52100   
 H16632   H    3.48651    -0.12546   0.62188   
 O16633   O    3.50017    -0.14819   0.54051   
 O16634   O    3.49929    -0.13033   0.61884   
 H16635   H    3.47154    -0.20189   0.56352   
 O16636   O    3.47984    -0.19658   0.58640   
 H16637   H    3.52814    -0.15128   0.59942   
 O16638   O    3.52007    -0.15988   0.61404   
 H16639   H    3.48658    -0.05785   0.37809   
 H16640   H    3.48926    -0.03760   0.47895   
 H16641   H    3.49976    -0.04723   0.41305   
 O16642   O    3.49937    -0.05298   0.38116   
 O16643   O    3.50026    -0.03510   0.45946   
 Zr16644  Zr   3.26807    0.05207    0.58473   
 Zr16645  Zr   3.73176    0.05206    0.58469   
 Zr16646  Zr   3.46384    -0.00000   0.35013   
 Zr16647  Zr   3.49954    -0.17392   0.56467   
 Zr16648  Zr   3.49961    -0.00939   0.43528   
 O16649   O    3.27600    0.06484    0.64542   
 O16650   O    3.74296    -0.22729   0.35172   
 O16651   O    3.76069    0.05501    0.60121   
 O16652   O    3.25833    -0.22763   0.35019   
 O16653   O    3.51523    -0.19258   0.60470   
 O16654   O    3.48456    -0.16661   0.62456   
 O16655   O    3.48463    -0.01674   0.37541   
 O16656   O    3.51534    0.00931    0.39520   
 C16657   C    3.67754    -0.37761   0.70953   
 C16658   C    3.68368    -0.38322   0.66524   
 C16659   C    3.67455    -0.37661   0.62522   
 C16660   C    3.65992    -0.36439   0.62943   
 C16661   C    3.65401    -0.35835   0.67368   
 C16662   C    3.66291    -0.36542   0.71363   
 C16663   C    3.67816    -0.25695   0.51140   
 C16664   C    3.68383    -0.26880   0.47691   
 C16665   C    3.67461    -0.28491   0.47468   
 C16666   C    3.66035    -0.28922   0.50699   
 C16667   C    3.65482    -0.27754   0.54230   
 C16668   C    3.66380    -0.26124   0.54345   
 C16669   C    3.69953    -0.26412   0.44354   
 C16670   C    3.69984    -0.39575   0.66056   
 C16671   C    3.58181    -0.23094   0.62282   
 C16672   C    3.56249    -0.23595   0.61713   
 C16673   C    3.55819    -0.25349   0.61084   
 C16674   C    3.57288    -0.26578   0.61087   
 C16675   C    3.59232    -0.26089   0.61672   
 C16676   C    3.59648    -0.24321   0.62242   
 C16677   C    3.58173    -0.35334   0.82223   
 C16678   C    3.56240    -0.35245   0.80772   
 C16679   C    3.55834    -0.34698   0.76191   
 C16680   C    3.57318    -0.34206   0.73191   
 C16681   C    3.59260    -0.34253   0.74651   
 C16682   C    3.59658    -0.34853   0.79205   
 C16683   C    3.54682    -0.22283   0.62023   
 C16684   C    3.54669    -0.35691   0.84141   
 C16685   C    3.63874    -0.28152   0.57086   
 C16686   C    3.63774    -0.29770   0.59615   
 C16687   C    3.65299    -0.30911   0.59676   
 C16688   C    3.62361    -0.26958   0.58004   
 C16689   C    3.62223    -0.30189   0.62613   
 C16690   C    3.60723    -0.33826   0.71506   
 C16691   C    3.60739    -0.32276   0.68671   
 C16692   C    3.59424    -0.30967   0.69365   
 C16693   C    3.62357    -0.34923   0.71024   
 C16694   C    3.62222    -0.31912   0.65430   
 C16695   C    3.63871    -0.34665   0.67734   
 C16696   C    3.63772    -0.33085   0.65035   
 C16697   C    3.65298    -0.32532   0.62326   
 C16698   C    3.60726    -0.27313   0.60858   
 C16699   C    3.60740    -0.28961   0.63251   
 C16700   C    3.59425    -0.29346   0.66715   
 H16701   H    3.68458    -0.38290   0.74036   
 H16702   H    3.67913    -0.38117   0.59107   
 H16703   H    3.65306    -0.35933   0.59803   
 H16704   H    3.65842    -0.36117   0.74823   
 H16705   H    3.68527    -0.24446   0.51265   
 H16706   H    3.67880    -0.29391   0.44739   
 H16707   H    3.65343    -0.30179   0.50485   
 H16708   H    3.65964    -0.25195   0.57009   
 H16709   H    3.58502    -0.21735   0.62791   
 H16710   H    3.54320    -0.25734   0.60691   
 H16711   H    3.56925    -0.27934   0.60637   
 H16712   H    3.61135    -0.23907   0.62694   
 H16713   H    3.58481    -0.35769   0.85758   
 H16714   H    3.54336    -0.34628   0.75067   
 H16715   H    3.56970    -0.33763   0.69678   
 H16716   H    3.61144    -0.34923   0.80410   
 H16717   H    3.62385    -0.25759   0.56157   
 H16718   H    3.58431    -0.31036   0.72155   
 H16719   H    3.66613    -0.30584   0.58047   
 H16720   H    3.62380    -0.36085   0.73038   
 H16721   H    3.58432    -0.28404   0.67852   
 H16722   H    3.66612    -0.33216   0.62349   
 O16723   O    3.70498    -0.40000   0.61941   
 O16724   O    3.70729    -0.40125   0.69831   
 O16725   O    3.70639    -0.24897   0.44700   
 O16726   O    3.70490    -0.27550   0.41422   
 O16727   O    3.55189    -0.35997   0.88328   
 O16728   O    3.55191    -0.20752   0.63024   
 O16729   O    3.52957    -0.22789   0.61366   
 O16730   O    3.52943    -0.35701   0.82655   
 C16731   C    3.32168    -0.37730   0.70848   
 C16732   C    3.31601    -0.38308   0.66399   
 C16733   C    3.32522    -0.37628   0.62436   
 C16734   C    3.33949    -0.36372   0.62899   
 C16735   C    3.34505    -0.35762   0.67349   
 C16736   C    3.33603    -0.36484   0.71313   
 C16737   C    3.32241    -0.25643   0.51156   
 C16738   C    3.31625    -0.26831   0.47761   
 C16739   C    3.32539    -0.28443   0.47474   
 C16740   C    3.34006    -0.28874   0.50591   
 C16741   C    3.34600    -0.27708   0.54096   
 C16742   C    3.33709    -0.26077   0.54266   
 C16743   C    3.30006    -0.26403   0.44540   
 C16744   C    3.30034    -0.39619   0.65967   
 C16745   C    3.41809    -0.23138   0.62736   
 C16746   C    3.43741    -0.23651   0.62278   
 C16747   C    3.44154    -0.25397   0.61446   
 C16748   C    3.42671    -0.26608   0.61186   
 C16749   C    3.40727    -0.26108   0.61726   
 C16750   C    3.40327    -0.24346   0.62443   
 C16751   C    3.41749    -0.35234   0.82385   
 C16752   C    3.43689    -0.35106   0.81018   
 C16753   C    3.44128    -0.34574   0.76446   
 C16754   C    3.42657    -0.34140   0.73345   
 C16755   C    3.40705    -0.34221   0.74717   
 C16756   C    3.40281    -0.34802   0.79271   
 C16757   C    3.45270    -0.35502   0.84384   
 C16758   C    3.45314    -0.22344   0.62693   
 C16759   C    3.39257    -0.27313   0.60858   
 C16760   C    3.39242    -0.28960   0.63254   
 C16761   C    3.40555    -0.29346   0.66716   
 C16762   C    3.37625    -0.26958   0.58005   
 C16763   C    3.37760    -0.30189   0.62612   
 C16764   C    3.36109    -0.34665   0.67734   
 C16765   C    3.36208    -0.33085   0.65037   
 C16766   C    3.34686    -0.32532   0.62328   
 C16767   C    3.37620    -0.34923   0.71023   
 C16768   C    3.37760    -0.31912   0.65430   
 C16769   C    3.39254    -0.33826   0.71506   
 C16770   C    3.39241    -0.32276   0.68674   
 C16771   C    3.40554    -0.30967   0.69366   
 C16772   C    3.36112    -0.28152   0.57086   
 C16773   C    3.36210    -0.29769   0.59617   
 C16774   C    3.34687    -0.30911   0.59678   
 H16775   H    3.31458    -0.38272   0.73902   
 H16776   H    3.32103    -0.38099   0.58998   
 H16777   H    3.34640    -0.35855   0.59785   
 H16778   H    3.34019    -0.36049   0.74789   
 H16779   H    3.31536    -0.24394   0.51325   
 H16780   H    3.32076    -0.29347   0.44795   
 H16781   H    3.34691    -0.30131   0.50340   
 H16782   H    3.34159    -0.25145   0.56897   
 H16783   H    3.41500    -0.21781   0.63345   
 H16784   H    3.45650    -0.25788   0.61010   
 H16785   H    3.43019    -0.27956   0.60561   
 H16786   H    3.38839    -0.23923   0.62826   
 H16787   H    3.41424    -0.35661   0.85917   
 H16788   H    3.45631    -0.34502   0.75386   
 H16789   H    3.43021    -0.33721   0.69823   
 H16790   H    3.38785    -0.34898   0.80400   
 H16791   H    3.37603    -0.25759   0.56157   
 H16792   H    3.33372    -0.33216   0.62350   
 H16793   H    3.41547    -0.28404   0.67852   
 H16794   H    3.37598    -0.36085   0.73039   
 H16795   H    3.33373    -0.30584   0.58048   
 H16796   H    3.41546    -0.31036   0.72154   
 O16797   O    3.29502    -0.40051   0.61874   
 O16798   O    3.29351    -0.40216   0.69764   
 O16799   O    3.29258    -0.24916   0.44983   
 O16800   O    3.29489    -0.27548   0.41607   
 O16801   O    3.47048    -0.22871   0.62469   
 O16802   O    3.44790    -0.20783   0.63227   
 O16803   O    3.44762    -0.35987   0.88445   
 O16804   O    3.46997    -0.35326   0.82958   
 H16805   H    3.74548    -0.29601   0.41881   
 H16806   H    3.76518    -0.28885   0.47368   
 H16807   H    3.72289    -0.29709   0.42669   
 O16808   O    3.76597    -0.28949   0.44005   
 O16809   O    3.73265    -0.29824   0.40269   
 H16810   H    3.77148    -0.22963   0.44473   
 O16811   O    3.76597    -0.23569   0.41850   
 H16812   H    3.76360    -0.37557   0.62159   
 H16813   H    3.72398    -0.38598   0.56503   
 H16814   H    3.75420    -0.38720   0.58212   
 O16815   O    3.76663    -0.38466   0.59958   
 O16816   O    3.73419    -0.39413   0.55908   
 H16817   H    3.24572    -0.29367   0.42933   
 H16818   H    3.27594    -0.29982   0.42432   
 H16819   H    3.23629    -0.28622   0.47557   
 O16820   O    3.26573    -0.29795   0.40201   
 O16821   O    3.23327    -0.28916   0.44351   
 H16822   H    3.29985    -0.24864   0.35923   
 O16823   O    3.28605    -0.24956   0.35614   
 H16824   H    3.27700    -0.38644   0.57273   
 H16825   H    3.23469    -0.37500   0.61442   
 H16826   H    3.25442    -0.38953   0.57163   
 O16827   O    3.26723    -0.39373   0.55880   
 O16828   O    3.23390    -0.38566   0.59719   
 Zr16829  Zr   3.73191    -0.23555   0.41514   
 Zr16830  Zr   3.77114    -0.26496   0.41047   
 Zr16831  Zr   3.72839    -0.41813   0.59098   
 Zr16832  Zr   3.26807    -0.23554   0.41518   
 Zr16833  Zr   3.27153    -0.27634   0.35929   
 Zr16834  Zr   3.22875    -0.40675   0.64218   
 Zr16835  Zr   3.50032    -0.21477   0.62426   
 O16836   O    3.74168    -0.26044   0.40381   
 O16837   O    3.25704    -0.26010   0.40535   
 H16838   H    3.18962    0.74211    0.42663   
 H16839   H    3.19907    0.76727    0.40396   
 H16840   H    3.19013    0.77666    0.35978   
 O16841   O    3.19999    0.77795    0.38348   
 O16842   O    3.20078    0.74918    0.43253   
 C16843   C    2.82298    0.57295    0.49128   
 C16844   C    2.81757    0.58455    0.52662   
 C16845   C    2.82611    0.60096    0.52778   
 C16846   C    2.83961    0.60574    0.49402   
 C16847   C    2.84511    0.59421    0.45830   
 C16848   C    2.83659    0.57769    0.45781   
 C16849   C    2.82324    0.69530    0.29164   
 C16850   C    2.81757    0.70108    0.33614   
 C16851   C    2.82680    0.69423    0.37574   
 C16852   C    2.84093    0.68159    0.37105   
 C16853   C    2.84643    0.67543    0.32656   
 C16854   C    2.83749    0.68275    0.28699   
 C16855   C    2.80220    0.57970    0.56066   
 C16856   C    2.80164    0.71397    0.34032   
 C16857   C    2.91774    0.66882    0.17610   
 C16858   C    2.93716    0.66763    0.18978   
 C16859   C    2.94151    0.66229    0.23553   
 C16860   C    2.92679    0.65789    0.26648   
 C16861   C    2.90728    0.65862    0.25268   
 C16862   C    2.90306    0.66444    0.20713   
 C16863   C    2.91823    0.54787    0.37293   
 C16864   C    2.93754    0.55306    0.37747   
 C16865   C    2.94166    0.57053    0.38580   
 C16866   C    2.92682    0.58260    0.38840   
 C16867   C    2.90740    0.57756    0.38295   
 C16868   C    2.90340    0.55993    0.37583   
 C16869   C    2.95327    0.54002    0.37321   
 C16870   C    2.95296    0.67165    0.15618   
 C16871   C    2.86120    0.66330    0.32268   
 C16872   C    2.86219    0.64750    0.34967   
 C16873   C    2.84693    0.64197    0.37676   
 C16874   C    2.87634    0.66588    0.28978   
 C16875   C    2.87769    0.63576    0.34573   
 C16876   C    2.89264    0.58978    0.39144   
 C16877   C    2.89250    0.60626    0.36751   
 C16878   C    2.90566    0.61011    0.33287   
 C16879   C    2.87630    0.58623    0.41998   
 C16880   C    2.87768    0.61853    0.37389   
 C16881   C    2.86116    0.59816    0.42916   
 C16882   C    2.86217    0.61434    0.40387   
 C16883   C    2.84692    0.62576    0.40327   
 C16884   C    2.89268    0.65491    0.28496   
 C16885   C    2.89252    0.63941    0.31331   
 C16886   C    2.90567    0.62632    0.30637   
 H16887   H    2.81625    0.56031    0.49042   
 H16888   H    2.82173    0.60997    0.55495   
 H16889   H    2.84594    0.61858    0.49528   
 H16890   H    2.84059    0.56853    0.43068   
 H16891   H    2.81617    0.70072    0.26111   
 H16892   H    2.82238    0.69870    0.41022   
 H16893   H    2.84771    0.67629    0.40224   
 H16894   H    2.84161    0.67838    0.25218   
 H16895   H    2.91449    0.67310    0.14074   
 H16896   H    2.95653    0.66163    0.24620   
 H16897   H    2.93042    0.65368    0.30173   
 H16898   H    2.88810    0.66537    0.19583   
 H16899   H    2.91516    0.53430    0.36682   
 H16900   H    2.95662    0.57443    0.39015   
 H16901   H    2.93030    0.59608    0.39464   
 H16902   H    2.88851    0.55572    0.37198   
 H16903   H    2.87611    0.67750    0.26964   
 H16904   H    2.91559    0.60069    0.32150   
 H16905   H    2.83379    0.64881    0.37653   
 H16906   H    2.87606    0.57424    0.43845   
 H16907   H    2.91560    0.62701    0.27847   
 H16908   H    2.83378    0.62249    0.41956   
 O16909   O    2.79297    0.71794    0.30260   
 O16910   O    2.79404    0.56521    0.55435   
 O16911   O    2.79811    0.59045    0.59282   
 O16912   O    2.79759    0.71974    0.38073   
 O16913   O    2.97023    0.66993    0.17048   
 O16914   O    2.94790    0.67650    0.11555   
 O16915   O    2.94805    0.52443    0.36778   
 O16916   O    2.97061    0.54534    0.37535   
 C16917   C    3.17685    0.57311    0.49115   
 C16918   C    3.18254    0.58488    0.52586   
 C16919   C    3.17339    0.60102    0.52793   
 C16920   C    3.15928    0.60546    0.49541   
 C16921   C    3.15376    0.59385    0.45981   
 C16922   C    3.16267    0.57753    0.45882   
 C16923   C    3.17672    0.69537    0.29092   
 C16924   C    3.18216    0.70142    0.33532   
 C16925   C    3.17349    0.69415    0.37511   
 C16926   C    3.15997    0.68094    0.37060   
 C16927   C    3.15453    0.67468    0.32624   
 C16928   C    3.16310    0.68226    0.28649   
 C16929   C    3.19838    0.58015    0.55889   
 C16930   C    3.19761    0.71472    0.33971   
 C16931   C    3.08190    0.66989    0.17764   
 C16932   C    3.06255    0.66904    0.19205   
 C16933   C    3.05841    0.66352    0.23774   
 C16934   C    3.07319    0.65855    0.26788   
 C16935   C    3.09264    0.65902    0.25340   
 C16936   C    3.09667    0.66502    0.20793   
 C16937   C    3.08205    0.54762    0.37782   
 C16938   C    3.06273    0.55267    0.38337   
 C16939   C    3.05851    0.57023    0.38984   
 C16940   C    3.07325    0.58247    0.38996   
 C16941   C    3.09269    0.57755    0.38405   
 C16942   C    3.09676    0.55986    0.37833   
 C16943   C    3.04692    0.67362    0.15833   
 C16944   C    3.04700    0.53957    0.37988   
 C16945   C    3.10737    0.65491    0.28496   
 C16946   C    3.10750    0.63941    0.31328   
 C16947   C    3.09437    0.62632    0.30636   
 C16948   C    3.12370    0.66587    0.28977   
 C16949   C    3.12232    0.63577    0.34574   
 C16950   C    3.13878    0.59816    0.42916   
 C16951   C    3.13781    0.61434    0.40385   
 C16952   C    3.15304    0.62576    0.40325   
 C16953   C    3.12367    0.58623    0.41999   
 C16954   C    3.12230    0.61853    0.37389   
 C16955   C    3.10733    0.58978    0.39144   
 C16956   C    3.10749    0.60625    0.36748   
 C16957   C    3.09436    0.61010    0.33286   
 C16958   C    3.13882    0.66330    0.32268   
 C16959   C    3.13783    0.64749    0.34965   
 C16960   C    3.15305    0.64197    0.37675   
 H16961   H    3.18390    0.56059    0.48980   
 H16962   H    3.17785    0.61013    0.55484   
 H16963   H    3.15255    0.61812    0.49733   
 H16964   H    3.15853    0.56826    0.43204   
 H16965   H    3.18350    0.70100    0.26026   
 H16966   H    3.17784    0.69876    0.40947   
 H16967   H    3.15360    0.67536    0.40193   
 H16968   H    3.15912    0.67772    0.25179   
 H16969   H    3.08505    0.67425    0.14233   
 H16970   H    3.04342    0.66285    0.24879   
 H16971   H    3.06963    0.65411    0.30293   
 H16972   H    3.11158    0.66568    0.19600   
 H16973   H    3.08522    0.53403    0.37270   
 H16974   H    3.04355    0.57412    0.39374   
 H16975   H    3.06966    0.59602    0.39450   
 H16976   H    3.11165    0.55569    0.37389   
 H16977   H    3.16618    0.62249    0.41955   
 H16978   H    3.12393    0.67750    0.26964   
 H16979   H    3.12388    0.57423    0.43845   
 H16980   H    3.08445    0.62701    0.27848   
 H16981   H    3.16619    0.64881    0.37652   
 H16982   H    3.08444    0.60069    0.32151   
 O16983   O    3.20587    0.71939    0.30205   
 O16984   O    3.20239    0.59062    0.59167   
 O16985   O    3.20700    0.56596    0.55091   
 O16986   O    3.20172    0.72014    0.38052   
 O16987   O    3.05206    0.52427    0.36970   
 O16988   O    3.02965    0.67375    0.17321   
 O16989   O    3.05214    0.67673    0.11651   
 O16990   O    3.02976    0.54466    0.38633   
 H16991   H    2.76464    0.58720    0.54810   
 O16992   O    2.76077    0.58178    0.57700   
 H16993   H    2.80984    0.74065    0.41878   
 H16994   H    2.80089    0.75946    0.41691   
 H16995   H    2.81037    0.77864    0.36728   
 O16996   O    2.79918    0.77722    0.38692   
 O16997   O    2.79999    0.74779    0.43288   
 H16998   H    2.70025    0.52943    0.59446   
 H16999   H    2.69933    0.55686    0.58199   
 H17000   H    2.70368    0.56502    0.53231   
 O17001   O    2.70073    0.56815    0.56425   
 O17002   O    2.70050    0.53954    0.61402   
 H17003   H    2.76350    0.70681    0.35061   
 O17004   O    2.75930    0.71868    0.35067   
 H17005   H    3.23643    0.58687    0.54662   
 O17006   O    3.24061    0.58136    0.57513   
 H17007   H    3.23529    0.70712    0.35199   
 O17008   O    3.23916    0.71908    0.35249   
 Zr17009  Zr   2.77367    0.59163    0.64655   
 Zr17010  Zr   2.72667    0.72462    0.35203   
 Zr17011  Zr   3.27326    0.57908    0.59009   
 Zr17012  Zr   3.22623    0.73717    0.40848   
 Zr17013  Zr   3.00045    0.53148    0.37567   
 Zr17014  Zr   3.03629    0.50007    0.35006   
 O17015   O    2.73916    0.55612    0.59934   
 O17016   O    3.22381    0.56594    0.64351   
 C17017   C    2.75861    0.37262    0.71385   
 C17018   C    2.74494    0.38227    0.73898   
 C17019   C    2.73166    0.39243    0.71415   
 C17020   C    2.73233    0.39328    0.66550   
 C17021   C    2.74627    0.38392    0.64001   
 C17022   C    2.75919    0.37342    0.66519   
 C17023   C    2.75868    0.49483    0.51337   
 C17024   C    2.74479    0.49864    0.54765   
 C17025   C    2.73193    0.48563    0.56163   
 C17026   C    2.73313    0.46914    0.54241   
 C17027   C    2.74713    0.46515    0.50827   
 C17028   C    2.75976    0.47839    0.49396   
 C17029   C    2.74513    0.38181    0.79122   
 C17030   C    2.74454    0.51598    0.57024   
 C17031   C    2.75996    0.32239    0.48469   
 C17032   C    2.74667    0.31869    0.44899   
 C17033   C    2.73318    0.33134    0.43608   
 C17034   C    2.73327    0.34743    0.45774   
 C17035   C    2.74686    0.35142    0.49279   
 C17036   C    2.75998    0.33848    0.50630   
 C17037   C    2.76003    0.44291    0.28590   
 C17038   C    2.74639    0.43318    0.26094   
 C17039   C    2.73304    0.42309    0.28579   
 C17040   C    2.73362    0.42241    0.33445   
 C17041   C    2.74752    0.43188    0.35978   
 C17042   C    2.76050    0.44232    0.33458   
 C17043   C    2.74637    0.43367    0.20874   
 C17044   C    2.74704    0.30174    0.42444   
 C17045   C    2.74614    0.43251    0.40905   
 C17046   C    2.74529    0.41682    0.43657   
 C17047   C    2.74738    0.40078    0.41637   
 C17048   C    2.74733    0.44814    0.43490   
 C17049   C    2.74458    0.41694    0.48593   
 C17050   C    2.74608    0.38414    0.59098   
 C17051   C    2.74524    0.39983    0.56348   
 C17052   C    2.74733    0.41587    0.58366   
 C17053   C    2.74731    0.36850    0.56512   
 C17054   C    2.74457    0.39971    0.51409   
 C17055   C    2.74611    0.36737    0.51553   
 C17056   C    2.74527    0.38367    0.49077   
 C17057   C    2.74737    0.38457    0.44287   
 C17058   C    2.74611    0.44928    0.48449   
 C17059   C    2.74526    0.43299    0.50928   
 C17060   C    2.74733    0.43208    0.55716   
 H17061   H    2.76880    0.36471    0.73316   
 H17062   H    2.72111    0.39990    0.73372   
 H17063   H    2.72207    0.40141    0.64704   
 H17064   H    2.76995    0.36591    0.64635   
 H17065   H    2.76864    0.50493    0.50279   
 H17066   H    2.72128    0.48856    0.58843   
 H17067   H    2.72317    0.45920    0.55412   
 H17068   H    2.77066    0.47569    0.46752   
 H17069   H    2.77027    0.31248    0.49472   
 H17070   H    2.72274    0.32834    0.40895   
 H17071   H    2.72277    0.35712    0.44714   
 H17072   H    2.77047    0.34115    0.53377   
 H17073   H    2.77022    0.45079    0.26643   
 H17074   H    2.72228    0.41583    0.26632   
 H17075   H    2.72323    0.41446    0.35307   
 H17076   H    2.77123    0.44986    0.35338   
 H17077   H    2.75054    0.41697    0.61957   
 H17078   H    2.74780    0.45996    0.41560   
 H17079   H    2.74775    0.35669    0.58442   
 H17080   H    2.75062    0.39968    0.38045   
 H17081   H    2.75055    0.44329    0.57655   
 H17082   H    2.75061    0.37336    0.42347   
 O17083   O    2.75784    0.52640    0.55843   
 O17084   O    2.73187    0.38980    0.81288   
 O17085   O    2.75898    0.37361    0.81018   
 O17086   O    2.73140    0.51900    0.60023   
 O17087   O    2.73491    0.29936    0.39169   
 O17088   O    2.75957    0.29092    0.43823   
 O17089   O    2.75843    0.44379    0.18958   
 O17090   O    2.73439    0.42406    0.18735   
 C17091   C    3.23996    0.32249    0.48268   
 C17092   C    3.25361    0.31885    0.44779   
 C17093   C    3.26696    0.33165    0.43518   
 C17094   C    3.26639    0.34786    0.45622   
 C17095   C    3.25251    0.35174    0.49073   
 C17096   C    3.23948    0.33865    0.50395   
 C17097   C    3.24015    0.44358    0.28673   
 C17098   C    3.25339    0.43359    0.26127   
 C17099   C    3.26689    0.42351    0.28558   
 C17100   C    3.26684    0.42310    0.33428   
 C17101   C    3.25328    0.43272    0.36016   
 C17102   C    3.24014    0.44315    0.33543   
 C17103   C    3.25299    0.43344    0.20916   
 C17104   C    3.25366    0.30157    0.42473   
 C17105   C    3.24099    0.37248    0.71400   
 C17106   C    3.25488    0.38181    0.73915   
 C17107   C    3.26772    0.39252    0.71472   
 C17108   C    3.26653    0.39402    0.66618   
 C17109   C    3.25259    0.38474    0.64057   
 C17110   C    3.23992    0.37387    0.66548   
 C17111   C    3.24127    0.49471    0.51386   
 C17112   C    3.25492    0.49836    0.54878   
 C17113   C    3.26822    0.48551    0.56138   
 C17114   C    3.26752    0.46928    0.54052   
 C17115   C    3.25360    0.46536    0.50615   
 C17116   C    3.24067    0.47851    0.49279   
 C17117   C    3.25520    0.38097    0.79125   
 C17118   C    3.25469    0.51556    0.57235   
 C17119   C    3.25380    0.44928    0.48449   
 C17120   C    3.25464    0.43298    0.50926   
 C17121   C    3.25254    0.43208    0.55715   
 C17122   C    3.25261    0.44815    0.43492   
 C17123   C    3.25534    0.41694    0.48593   
 C17124   C    3.25380    0.36737    0.51553   
 C17125   C    3.25465    0.38366    0.49074   
 C17126   C    3.25257    0.38456    0.44286   
 C17127   C    3.25256    0.36850    0.56510   
 C17128   C    3.25533    0.39971    0.51410   
 C17129   C    3.25377    0.38414    0.59097   
 C17130   C    3.25462    0.39983    0.56346   
 C17131   C    3.25253    0.41587    0.58366   
 C17132   C    3.25383    0.43250    0.40905   
 C17133   C    3.25466    0.41681    0.43654   
 C17134   C    3.25258    0.40078    0.41636   
 H17135   H    3.22977    0.31246    0.49252   
 H17136   H    3.27773    0.32870    0.40870   
 H17137   H    3.27679    0.35765    0.44584   
 H17138   H    3.22876    0.34124    0.53082   
 H17139   H    3.22985    0.45145    0.26761   
 H17140   H    3.27729    0.41601    0.26571   
 H17141   H    3.27734    0.41515    0.35256   
 H17142   H    3.22969    0.45088    0.35458   
 H17143   H    3.23103    0.36427    0.73312   
 H17144   H    3.27836    0.39987    0.73437   
 H17145   H    3.27651    0.40251    0.64789   
 H17146   H    3.22904    0.36654    0.64660   
 H17147   H    3.23110    0.50473    0.50399   
 H17148   H    3.27880    0.48833    0.58846   
 H17149   H    3.27780    0.45943    0.55129   
 H17150   H    3.22991    0.47592    0.46597   
 H17151   H    3.25215    0.45996    0.41561   
 H17152   H    3.24935    0.37336    0.42348   
 H17153   H    3.24930    0.44329    0.57655   
 H17154   H    3.25210    0.35669    0.58442   
 H17155   H    3.24937    0.39968    0.38045   
 H17156   H    3.24929    0.41697    0.61958   
 O17157   O    3.26568    0.29903    0.39182   
 O17158   O    3.24160    0.29057    0.44009   
 O17159   O    3.24048    0.44298    0.18961   
 O17160   O    3.26511    0.42385    0.18820   
 O17161   O    3.24081    0.52555    0.56169   
 O17162   O    3.24193    0.37219    0.81063   
 O17163   O    3.26837    0.38930    0.81251   
 O17164   O    3.26790    0.51889    0.60178   
 H17165   H    3.20015    0.25230    0.35749   
 O17166   O    3.21396    0.25170    0.35391   
 H17167   H    2.72848    0.27133    0.44307   
 O17168   O    2.73400    0.26557    0.41632   
 H17169   H    3.29613    0.52902    0.59131   
 H17170   H    3.30049    0.54906    0.59497   
 H17171   H    3.29964    0.56594    0.53500   
 O17172   O    3.29935    0.56758    0.56843   
 O17173   O    3.29909    0.53799    0.61371   
 H17174   H    2.97166    0.51854    0.43649   
 O17175   O    2.97996    0.51324    0.41354   
 H17176   H    3.02820    0.46801    0.40049   
 O17177   O    3.02014    0.47661    0.38587   
 H17178   H    3.01355    0.30642    0.49320   
 H17179   H    3.00024    0.29354    0.52176   
 H17180   H    3.01056    0.26908    0.54766   
 O17181   O    2.99966    0.27639    0.55448   
 O17182   O    3.00074    0.30533    0.50627   
 H17183   H    3.01072    0.54759    0.45223   
 H17184   H    3.00034    0.52317    0.47822   
 H17185   H    3.01362    0.51031    0.50677   
 O17186   O    3.00080    0.51139    0.49372   
 O17187   O    2.99980    0.54032    0.44542   
 H17188   H    2.99968    0.36393    0.58692   
 H17189   H    2.98918    0.35431    0.52100   
 H17190   H    2.98651    0.37454    0.62188   
 O17191   O    3.00017    0.35181    0.54051   
 O17192   O    2.99929    0.36967    0.61884   
 H17193   H    2.97154    0.29811    0.56352   
 O17194   O    2.97984    0.30342    0.58640   
 H17195   H    3.02814    0.34872    0.59942   
 O17196   O    3.02007    0.34012    0.61404   
 H17197   H    2.98658    0.44215    0.37809   
 H17198   H    2.98926    0.46240    0.47895   
 H17199   H    2.99976    0.45277    0.41305   
 O17200   O    2.99937    0.44702    0.38116   
 O17201   O    3.00026    0.46490    0.45946   
 Zr17202  Zr   2.76807    0.55207    0.58473   
 Zr17203  Zr   3.23176    0.55206    0.58469   
 Zr17204  Zr   2.96384    0.50000    0.35013   
 Zr17205  Zr   2.99954    0.32608    0.56467   
 Zr17206  Zr   2.99961    0.49061    0.43528   
 O17207   O    2.77600    0.56484    0.64542   
 O17208   O    3.24296    0.27271    0.35172   
 O17209   O    3.26069    0.55501    0.60121   
 O17210   O    2.75833    0.27237    0.35019   
 O17211   O    3.01523    0.30742    0.60470   
 O17212   O    2.98456    0.33339    0.62456   
 O17213   O    2.98463    0.48326    0.37541   
 O17214   O    3.01534    0.50931    0.39520   
 C17215   C    3.17754    0.12239    0.70953   
 C17216   C    3.18368    0.11678    0.66524   
 C17217   C    3.17455    0.12339    0.62522   
 C17218   C    3.15992    0.13561    0.62943   
 C17219   C    3.15401    0.14165    0.67368   
 C17220   C    3.16291    0.13458    0.71363   
 C17221   C    3.17816    0.24305    0.51140   
 C17222   C    3.18383    0.23120    0.47691   
 C17223   C    3.17461    0.21509    0.47468   
 C17224   C    3.16035    0.21078    0.50699   
 C17225   C    3.15482    0.22246    0.54230   
 C17226   C    3.16380    0.23876    0.54345   
 C17227   C    3.19953    0.23588    0.44354   
 C17228   C    3.19984    0.10425    0.66056   
 C17229   C    3.08181    0.26906    0.62282   
 C17230   C    3.06249    0.26405    0.61713   
 C17231   C    3.05819    0.24651    0.61084   
 C17232   C    3.07288    0.23422    0.61087   
 C17233   C    3.09232    0.23911    0.61672   
 C17234   C    3.09648    0.25679    0.62242   
 C17235   C    3.08173    0.14666    0.82223   
 C17236   C    3.06240    0.14755    0.80772   
 C17237   C    3.05834    0.15302    0.76191   
 C17238   C    3.07318    0.15794    0.73191   
 C17239   C    3.09260    0.15747    0.74651   
 C17240   C    3.09658    0.15147    0.79205   
 C17241   C    3.04682    0.27717    0.62023   
 C17242   C    3.04669    0.14309    0.84141   
 C17243   C    3.13874    0.21848    0.57086   
 C17244   C    3.13774    0.20230    0.59615   
 C17245   C    3.15299    0.19089    0.59676   
 C17246   C    3.12361    0.23042    0.58004   
 C17247   C    3.12223    0.19811    0.62613   
 C17248   C    3.10723    0.16174    0.71506   
 C17249   C    3.10739    0.17724    0.68671   
 C17250   C    3.09424    0.19033    0.69365   
 C17251   C    3.12357    0.15077    0.71024   
 C17252   C    3.12222    0.18088    0.65430   
 C17253   C    3.13871    0.15335    0.67734   
 C17254   C    3.13772    0.16915    0.65035   
 C17255   C    3.15298    0.17468    0.62326   
 C17256   C    3.10726    0.22687    0.60858   
 C17257   C    3.10740    0.21039    0.63251   
 C17258   C    3.09425    0.20654    0.66715   
 H17259   H    3.18458    0.11710    0.74036   
 H17260   H    3.17913    0.11883    0.59107   
 H17261   H    3.15306    0.14067    0.59803   
 H17262   H    3.15842    0.13883    0.74823   
 H17263   H    3.18527    0.25554    0.51265   
 H17264   H    3.17880    0.20609    0.44739   
 H17265   H    3.15343    0.19821    0.50485   
 H17266   H    3.15964    0.24805    0.57009   
 H17267   H    3.08502    0.28265    0.62791   
 H17268   H    3.04320    0.24266    0.60691   
 H17269   H    3.06925    0.22066    0.60637   
 H17270   H    3.11135    0.26093    0.62694   
 H17271   H    3.08481    0.14231    0.85758   
 H17272   H    3.04336    0.15372    0.75067   
 H17273   H    3.06970    0.16237    0.69678   
 H17274   H    3.11144    0.15077    0.80410   
 H17275   H    3.12385    0.24241    0.56157   
 H17276   H    3.08431    0.18964    0.72155   
 H17277   H    3.16613    0.19416    0.58047   
 H17278   H    3.12380    0.13915    0.73038   
 H17279   H    3.08432    0.21596    0.67852   
 H17280   H    3.16612    0.16784    0.62349   
 O17281   O    3.20498    0.10000    0.61941   
 O17282   O    3.20729    0.09875    0.69831   
 O17283   O    3.20639    0.25103    0.44700   
 O17284   O    3.20490    0.22450    0.41422   
 O17285   O    3.05189    0.14003    0.88328   
 O17286   O    3.05191    0.29248    0.63024   
 O17287   O    3.02957    0.27211    0.61366   
 O17288   O    3.02943    0.14299    0.82655   
 C17289   C    2.82168    0.12270    0.70848   
 C17290   C    2.81601    0.11692    0.66399   
 C17291   C    2.82522    0.12372    0.62436   
 C17292   C    2.83949    0.13628    0.62899   
 C17293   C    2.84505    0.14238    0.67349   
 C17294   C    2.83603    0.13516    0.71313   
 C17295   C    2.82241    0.24357    0.51156   
 C17296   C    2.81625    0.23169    0.47761   
 C17297   C    2.82539    0.21557    0.47474   
 C17298   C    2.84006    0.21126    0.50591   
 C17299   C    2.84600    0.22292    0.54096   
 C17300   C    2.83709    0.23923    0.54266   
 C17301   C    2.80006    0.23597    0.44540   
 C17302   C    2.80034    0.10381    0.65967   
 C17303   C    2.91809    0.26862    0.62736   
 C17304   C    2.93741    0.26349    0.62278   
 C17305   C    2.94154    0.24603    0.61446   
 C17306   C    2.92671    0.23392    0.61186   
 C17307   C    2.90727    0.23892    0.61726   
 C17308   C    2.90327    0.25654    0.62443   
 C17309   C    2.91749    0.14766    0.82385   
 C17310   C    2.93689    0.14894    0.81018   
 C17311   C    2.94128    0.15426    0.76446   
 C17312   C    2.92657    0.15860    0.73345   
 C17313   C    2.90705    0.15779    0.74717   
 C17314   C    2.90281    0.15198    0.79271   
 C17315   C    2.95270    0.14498    0.84384   
 C17316   C    2.95314    0.27656    0.62693   
 C17317   C    2.89257    0.22687    0.60858   
 C17318   C    2.89242    0.21040    0.63254   
 C17319   C    2.90555    0.20654    0.66716   
 C17320   C    2.87625    0.23042    0.58005   
 C17321   C    2.87760    0.19811    0.62612   
 C17322   C    2.86109    0.15335    0.67734   
 C17323   C    2.86208    0.16915    0.65037   
 C17324   C    2.84686    0.17468    0.62328   
 C17325   C    2.87620    0.15077    0.71023   
 C17326   C    2.87760    0.18088    0.65430   
 C17327   C    2.89254    0.16174    0.71506   
 C17328   C    2.89241    0.17724    0.68674   
 C17329   C    2.90554    0.19033    0.69366   
 C17330   C    2.86112    0.21848    0.57086   
 C17331   C    2.86210    0.20231    0.59617   
 C17332   C    2.84687    0.19089    0.59678   
 H17333   H    2.81458    0.11728    0.73902   
 H17334   H    2.82103    0.11901    0.58998   
 H17335   H    2.84640    0.14145    0.59785   
 H17336   H    2.84019    0.13951    0.74789   
 H17337   H    2.81536    0.25606    0.51325   
 H17338   H    2.82076    0.20653    0.44795   
 H17339   H    2.84691    0.19869    0.50340   
 H17340   H    2.84159    0.24855    0.56897   
 H17341   H    2.91500    0.28219    0.63345   
 H17342   H    2.95650    0.24212    0.61010   
 H17343   H    2.93019    0.22044    0.60561   
 H17344   H    2.88839    0.26077    0.62826   
 H17345   H    2.91424    0.14339    0.85917   
 H17346   H    2.95631    0.15498    0.75386   
 H17347   H    2.93021    0.16279    0.69823   
 H17348   H    2.88785    0.15102    0.80400   
 H17349   H    2.87603    0.24241    0.56157   
 H17350   H    2.83372    0.16784    0.62350   
 H17351   H    2.91547    0.21596    0.67852   
 H17352   H    2.87598    0.13915    0.73039   
 H17353   H    2.83373    0.19416    0.58048   
 H17354   H    2.91546    0.18964    0.72154   
 O17355   O    2.79502    0.09949    0.61874   
 O17356   O    2.79351    0.09784    0.69764   
 O17357   O    2.79258    0.25084    0.44983   
 O17358   O    2.79489    0.22452    0.41607   
 O17359   O    2.97048    0.27129    0.62469   
 O17360   O    2.94790    0.29217    0.63227   
 O17361   O    2.94762    0.14013    0.88445   
 O17362   O    2.96997    0.14674    0.82958   
 H17363   H    3.24548    0.20399    0.41881   
 H17364   H    3.26518    0.21115    0.47368   
 H17365   H    3.22289    0.20291    0.42669   
 O17366   O    3.26597    0.21051    0.44005   
 O17367   O    3.23265    0.20176    0.40269   
 H17368   H    3.27148    0.27037    0.44473   
 O17369   O    3.26597    0.26431    0.41850   
 H17370   H    3.26360    0.12443    0.62159   
 H17371   H    3.22398    0.11402    0.56503   
 H17372   H    3.25420    0.11280    0.58212   
 O17373   O    3.26663    0.11534    0.59958   
 O17374   O    3.23419    0.10587    0.55908   
 H17375   H    2.74572    0.20633    0.42933   
 H17376   H    2.77594    0.20018    0.42432   
 H17377   H    2.73629    0.21378    0.47557   
 O17378   O    2.76573    0.20205    0.40201   
 O17379   O    2.73327    0.21084    0.44351   
 H17380   H    2.79985    0.25136    0.35923   
 O17381   O    2.78605    0.25044    0.35614   
 H17382   H    2.77700    0.11356    0.57273   
 H17383   H    2.73469    0.12500    0.61442   
 H17384   H    2.75442    0.11047    0.57163   
 O17385   O    2.76723    0.10627    0.55880   
 O17386   O    2.73390    0.11434    0.59719   
 Zr17387  Zr   3.23191    0.26445    0.41514   
 Zr17388  Zr   3.27114    0.23504    0.41047   
 Zr17389  Zr   3.22839    0.08187    0.59098   
 Zr17390  Zr   2.76807    0.26446    0.41518   
 Zr17391  Zr   2.77153    0.22366    0.35929   
 Zr17392  Zr   2.72875    0.09325    0.64218   
 Zr17393  Zr   3.00032    0.28523    0.62426   
 O17394   O    3.24168    0.23956    0.40381   
 O17395   O    2.75704    0.23990    0.40535   
 C17396   C    2.25861    0.87262    0.71385   
 C17397   C    2.24494    0.88227    0.73898   
 C17398   C    2.23166    0.89243    0.71415   
 C17399   C    2.23233    0.89328    0.66550   
 C17400   C    2.24627    0.88392    0.64001   
 C17401   C    2.25919    0.87342    0.66519   
 C17402   C    2.25868    0.99483    0.51337   
 C17403   C    2.24479    0.99864    0.54765   
 C17404   C    2.23193    0.98563    0.56163   
 C17405   C    2.23313    0.96914    0.54241   
 C17406   C    2.24713    0.96515    0.50827   
 C17407   C    2.25976    0.97839    0.49396   
 C17408   C    2.24513    0.88181    0.79122   
 C17409   C    2.24454    1.01598    0.57024   
 C17410   C    2.25996    0.82239    0.48469   
 C17411   C    2.24667    0.81869    0.44899   
 C17412   C    2.23318    0.83134    0.43608   
 C17413   C    2.23327    0.84743    0.45774   
 C17414   C    2.24686    0.85142    0.49279   
 C17415   C    2.25998    0.83848    0.50630   
 C17416   C    2.26003    0.94291    0.28590   
 C17417   C    2.24639    0.93318    0.26094   
 C17418   C    2.23304    0.92309    0.28579   
 C17419   C    2.23362    0.92241    0.33445   
 C17420   C    2.24752    0.93188    0.35978   
 C17421   C    2.26050    0.94232    0.33458   
 C17422   C    2.24637    0.93367    0.20874   
 C17423   C    2.24704    0.80174    0.42444   
 C17424   C    2.24614    0.93251    0.40905   
 C17425   C    2.24529    0.91682    0.43657   
 C17426   C    2.24738    0.90078    0.41637   
 C17427   C    2.24733    0.94814    0.43490   
 C17428   C    2.24458    0.91694    0.48593   
 C17429   C    2.24608    0.88414    0.59098   
 C17430   C    2.24524    0.89983    0.56348   
 C17431   C    2.24733    0.91587    0.58366   
 C17432   C    2.24731    0.86850    0.56512   
 C17433   C    2.24457    0.89971    0.51409   
 C17434   C    2.24611    0.86737    0.51553   
 C17435   C    2.24527    0.88367    0.49077   
 C17436   C    2.24737    0.88457    0.44287   
 C17437   C    2.24611    0.94928    0.48449   
 C17438   C    2.24526    0.93299    0.50928   
 C17439   C    2.24733    0.93208    0.55716   
 H17440   H    2.26880    0.86471    0.73316   
 H17441   H    2.22111    0.89990    0.73372   
 H17442   H    2.22207    0.90141    0.64704   
 H17443   H    2.26995    0.86591    0.64635   
 H17444   H    2.26864    1.00493    0.50279   
 H17445   H    2.22128    0.98856    0.58843   
 H17446   H    2.22317    0.95920    0.55412   
 H17447   H    2.27066    0.97569    0.46752   
 H17448   H    2.27027    0.81248    0.49472   
 H17449   H    2.22274    0.82834    0.40895   
 H17450   H    2.22277    0.85712    0.44714   
 H17451   H    2.27047    0.84115    0.53377   
 H17452   H    2.27022    0.95079    0.26643   
 H17453   H    2.22228    0.91583    0.26632   
 H17454   H    2.22323    0.91446    0.35307   
 H17455   H    2.27123    0.94986    0.35338   
 H17456   H    2.25054    0.91697    0.61957   
 H17457   H    2.24780    0.95996    0.41560   
 H17458   H    2.24775    0.85669    0.58442   
 H17459   H    2.25062    0.89968    0.38045   
 H17460   H    2.25055    0.94329    0.57655   
 H17461   H    2.25061    0.87336    0.42347   
 O17462   O    2.25784    1.02640    0.55843   
 O17463   O    2.23187    0.88980    0.81288   
 O17464   O    2.25898    0.87361    0.81018   
 O17465   O    2.23140    1.01900    0.60023   
 O17466   O    2.23491    0.79936    0.39169   
 O17467   O    2.25957    0.79092    0.43823   
 O17468   O    2.25843    0.94379    0.18958   
 O17469   O    2.23439    0.92406    0.18735   
 C17470   C    2.73996    0.82249    0.48268   
 C17471   C    2.75361    0.81885    0.44779   
 C17472   C    2.76696    0.83165    0.43518   
 C17473   C    2.76639    0.84786    0.45622   
 C17474   C    2.75251    0.85174    0.49073   
 C17475   C    2.73948    0.83865    0.50395   
 C17476   C    2.74015    0.94358    0.28673   
 C17477   C    2.75339    0.93359    0.26127   
 C17478   C    2.76689    0.92351    0.28558   
 C17479   C    2.76684    0.92310    0.33428   
 C17480   C    2.75328    0.93272    0.36016   
 C17481   C    2.74014    0.94315    0.33543   
 C17482   C    2.75299    0.93344    0.20916   
 C17483   C    2.75366    0.80157    0.42473   
 C17484   C    2.74099    0.87248    0.71400   
 C17485   C    2.75488    0.88181    0.73915   
 C17486   C    2.76772    0.89252    0.71472   
 C17487   C    2.76653    0.89402    0.66618   
 C17488   C    2.75259    0.88474    0.64057   
 C17489   C    2.73992    0.87387    0.66548   
 C17490   C    2.74127    0.99471    0.51386   
 C17491   C    2.75492    0.99836    0.54878   
 C17492   C    2.76822    0.98551    0.56138   
 C17493   C    2.76752    0.96928    0.54052   
 C17494   C    2.75360    0.96536    0.50615   
 C17495   C    2.74067    0.97851    0.49279   
 C17496   C    2.75520    0.88097    0.79125   
 C17497   C    2.75469    1.01556    0.57235   
 C17498   C    2.75380    0.94928    0.48449   
 C17499   C    2.75464    0.93298    0.50926   
 C17500   C    2.75254    0.93208    0.55715   
 C17501   C    2.75261    0.94815    0.43492   
 C17502   C    2.75534    0.91694    0.48593   
 C17503   C    2.75380    0.86737    0.51553   
 C17504   C    2.75465    0.88366    0.49074   
 C17505   C    2.75257    0.88456    0.44286   
 C17506   C    2.75256    0.86850    0.56510   
 C17507   C    2.75533    0.89971    0.51410   
 C17508   C    2.75377    0.88414    0.59097   
 C17509   C    2.75462    0.89983    0.56346   
 C17510   C    2.75253    0.91587    0.58366   
 C17511   C    2.75383    0.93250    0.40905   
 C17512   C    2.75466    0.91681    0.43654   
 C17513   C    2.75258    0.90078    0.41636   
 H17514   H    2.72977    0.81246    0.49252   
 H17515   H    2.77773    0.82870    0.40870   
 H17516   H    2.77679    0.85765    0.44584   
 H17517   H    2.72876    0.84124    0.53082   
 H17518   H    2.72985    0.95145    0.26761   
 H17519   H    2.77729    0.91601    0.26571   
 H17520   H    2.77734    0.91515    0.35256   
 H17521   H    2.72969    0.95088    0.35458   
 H17522   H    2.73103    0.86427    0.73312   
 H17523   H    2.77836    0.89987    0.73437   
 H17524   H    2.77651    0.90251    0.64789   
 H17525   H    2.72904    0.86654    0.64660   
 H17526   H    2.73110    1.00473    0.50399   
 H17527   H    2.77880    0.98833    0.58846   
 H17528   H    2.77780    0.95943    0.55129   
 H17529   H    2.72991    0.97592    0.46597   
 H17530   H    2.75215    0.95996    0.41561   
 H17531   H    2.74935    0.87336    0.42348   
 H17532   H    2.74930    0.94329    0.57655   
 H17533   H    2.75210    0.85669    0.58442   
 H17534   H    2.74937    0.89968    0.38045   
 H17535   H    2.74929    0.91697    0.61958   
 O17536   O    2.76568    0.79903    0.39182   
 O17537   O    2.74160    0.79057    0.44009   
 O17538   O    2.74048    0.94298    0.18961   
 O17539   O    2.76511    0.92385    0.18820   
 O17540   O    2.74081    1.02555    0.56169   
 O17541   O    2.74193    0.87219    0.81063   
 O17542   O    2.76837    0.88930    0.81251   
 O17543   O    2.76790    1.01889    0.60178   
 H17544   H    2.70015    0.75230    0.35749   
 O17545   O    2.71396    0.75170    0.35391   
 H17546   H    2.22848    0.77133    0.44307   
 O17547   O    2.23400    0.76557    0.41632   
 H17548   H    2.79613    1.02902    0.59131   
 H17549   H    2.80049    1.04906    0.59497   
 H17550   H    2.79964    1.06594    0.53500   
 O17551   O    2.79935    1.06758    0.56843   
 O17552   O    2.79909    1.03799    0.61371   
 H17553   H    2.47166    1.01854    0.43649   
 O17554   O    2.47996    1.01324    0.41354   
 H17555   H    2.52820    0.96801    0.40049   
 O17556   O    2.52014    0.97661    0.38587   
 H17557   H    2.51355    0.80642    0.49320   
 H17558   H    2.50024    0.79354    0.52176   
 H17559   H    2.51056    0.76908    0.54766   
 O17560   O    2.49966    0.77639    0.55448   
 O17561   O    2.50074    0.80533    0.50627   
 H17562   H    2.51072    1.04759    0.45223   
 H17563   H    2.50034    1.02317    0.47822   
 H17564   H    2.51362    1.01031    0.50677   
 O17565   O    2.50080    1.01139    0.49372   
 O17566   O    2.49980    1.04032    0.44542   
 H17567   H    2.49968    0.86393    0.58692   
 H17568   H    2.48918    0.85431    0.52100   
 H17569   H    2.48651    0.87454    0.62188   
 O17570   O    2.50017    0.85181    0.54051   
 O17571   O    2.49929    0.86967    0.61884   
 H17572   H    2.47154    0.79811    0.56352   
 O17573   O    2.47984    0.80342    0.58640   
 H17574   H    2.52814    0.84872    0.59942   
 O17575   O    2.52007    0.84012    0.61404   
 H17576   H    2.48658    0.94215    0.37809   
 H17577   H    2.48926    0.96240    0.47895   
 H17578   H    2.49976    0.95277    0.41305   
 O17579   O    2.49937    0.94702    0.38116   
 O17580   O    2.50026    0.96490    0.45946   
 Zr17581  Zr   2.26807    1.05207    0.58473   
 Zr17582  Zr   2.73176    1.05206    0.58469   
 Zr17583  Zr   2.46384    1.00000    0.35013   
 Zr17584  Zr   2.49954    0.82608    0.56467   
 Zr17585  Zr   2.49961    0.99061    0.43528   
 O17586   O    2.27600    1.06484    0.64542   
 O17587   O    2.74296    0.77271    0.35172   
 O17588   O    2.76069    1.05501    0.60121   
 O17589   O    2.25833    0.77237    0.35019   
 O17590   O    2.51523    0.80742    0.60470   
 O17591   O    2.48456    0.83339    0.62456   
 O17592   O    2.48463    0.98326    0.37541   
 O17593   O    2.51534    1.00931    0.39520   
 C17594   C    2.67754    0.62239    0.70953   
 C17595   C    2.68368    0.61678    0.66524   
 C17596   C    2.67455    0.62339    0.62522   
 C17597   C    2.65992    0.63561    0.62943   
 C17598   C    2.65401    0.64165    0.67368   
 C17599   C    2.66291    0.63458    0.71363   
 C17600   C    2.67816    0.74305    0.51140   
 C17601   C    2.68383    0.73120    0.47691   
 C17602   C    2.67461    0.71509    0.47468   
 C17603   C    2.66035    0.71078    0.50699   
 C17604   C    2.65482    0.72246    0.54230   
 C17605   C    2.66380    0.73876    0.54345   
 C17606   C    2.69953    0.73588    0.44354   
 C17607   C    2.69984    0.60425    0.66056   
 C17608   C    2.58181    0.76906    0.62282   
 C17609   C    2.56249    0.76405    0.61713   
 C17610   C    2.55819    0.74651    0.61084   
 C17611   C    2.57288    0.73422    0.61087   
 C17612   C    2.59232    0.73911    0.61672   
 C17613   C    2.59648    0.75679    0.62242   
 C17614   C    2.58173    0.64666    0.82223   
 C17615   C    2.56240    0.64755    0.80772   
 C17616   C    2.55834    0.65302    0.76191   
 C17617   C    2.57318    0.65794    0.73191   
 C17618   C    2.59260    0.65747    0.74651   
 C17619   C    2.59658    0.65147    0.79205   
 C17620   C    2.54682    0.77717    0.62023   
 C17621   C    2.54669    0.64309    0.84141   
 C17622   C    2.63874    0.71848    0.57086   
 C17623   C    2.63774    0.70230    0.59615   
 C17624   C    2.65299    0.69089    0.59676   
 C17625   C    2.62361    0.73042    0.58004   
 C17626   C    2.62223    0.69811    0.62613   
 C17627   C    2.60723    0.66174    0.71506   
 C17628   C    2.60739    0.67724    0.68671   
 C17629   C    2.59424    0.69033    0.69365   
 C17630   C    2.62357    0.65077    0.71024   
 C17631   C    2.62222    0.68088    0.65430   
 C17632   C    2.63871    0.65335    0.67734   
 C17633   C    2.63772    0.66915    0.65035   
 C17634   C    2.65298    0.67468    0.62326   
 C17635   C    2.60726    0.72687    0.60858   
 C17636   C    2.60740    0.71039    0.63251   
 C17637   C    2.59425    0.70654    0.66715   
 H17638   H    2.68458    0.61710    0.74036   
 H17639   H    2.67913    0.61883    0.59107   
 H17640   H    2.65306    0.64067    0.59803   
 H17641   H    2.65842    0.63883    0.74823   
 H17642   H    2.68527    0.75554    0.51265   
 H17643   H    2.67880    0.70609    0.44739   
 H17644   H    2.65343    0.69821    0.50485   
 H17645   H    2.65964    0.74805    0.57009   
 H17646   H    2.58502    0.78265    0.62791   
 H17647   H    2.54320    0.74266    0.60691   
 H17648   H    2.56925    0.72066    0.60637   
 H17649   H    2.61135    0.76093    0.62694   
 H17650   H    2.58481    0.64231    0.85758   
 H17651   H    2.54336    0.65372    0.75067   
 H17652   H    2.56970    0.66237    0.69678   
 H17653   H    2.61144    0.65077    0.80410   
 H17654   H    2.62385    0.74241    0.56157   
 H17655   H    2.58431    0.68964    0.72155   
 H17656   H    2.66613    0.69416    0.58047   
 H17657   H    2.62380    0.63915    0.73038   
 H17658   H    2.58432    0.71596    0.67852   
 H17659   H    2.66612    0.66784    0.62349   
 O17660   O    2.70498    0.60000    0.61941   
 O17661   O    2.70729    0.59875    0.69831   
 O17662   O    2.70639    0.75103    0.44700   
 O17663   O    2.70490    0.72450    0.41422   
 O17664   O    2.55189    0.64003    0.88328   
 O17665   O    2.55191    0.79248    0.63024   
 O17666   O    2.52957    0.77211    0.61366   
 O17667   O    2.52943    0.64299    0.82655   
 C17668   C    2.32168    0.62270    0.70848   
 C17669   C    2.31601    0.61692    0.66399   
 C17670   C    2.32522    0.62372    0.62436   
 C17671   C    2.33949    0.63628    0.62899   
 C17672   C    2.34505    0.64238    0.67349   
 C17673   C    2.33603    0.63516    0.71313   
 C17674   C    2.32241    0.74357    0.51156   
 C17675   C    2.31625    0.73169    0.47761   
 C17676   C    2.32539    0.71557    0.47474   
 C17677   C    2.34006    0.71126    0.50591   
 C17678   C    2.34600    0.72292    0.54096   
 C17679   C    2.33709    0.73923    0.54266   
 C17680   C    2.30006    0.73597    0.44540   
 C17681   C    2.30034    0.60381    0.65967   
 C17682   C    2.41809    0.76862    0.62736   
 C17683   C    2.43741    0.76349    0.62278   
 C17684   C    2.44154    0.74603    0.61446   
 C17685   C    2.42671    0.73392    0.61186   
 C17686   C    2.40727    0.73892    0.61726   
 C17687   C    2.40327    0.75654    0.62443   
 C17688   C    2.41749    0.64766    0.82385   
 C17689   C    2.43689    0.64894    0.81018   
 C17690   C    2.44128    0.65426    0.76446   
 C17691   C    2.42657    0.65860    0.73345   
 C17692   C    2.40705    0.65779    0.74717   
 C17693   C    2.40281    0.65198    0.79271   
 C17694   C    2.45270    0.64498    0.84384   
 C17695   C    2.45314    0.77656    0.62693   
 C17696   C    2.39257    0.72687    0.60858   
 C17697   C    2.39242    0.71040    0.63254   
 C17698   C    2.40555    0.70654    0.66716   
 C17699   C    2.37625    0.73042    0.58005   
 C17700   C    2.37760    0.69811    0.62612   
 C17701   C    2.36109    0.65335    0.67734   
 C17702   C    2.36208    0.66915    0.65037   
 C17703   C    2.34686    0.67468    0.62328   
 C17704   C    2.37620    0.65077    0.71023   
 C17705   C    2.37760    0.68088    0.65430   
 C17706   C    2.39254    0.66174    0.71506   
 C17707   C    2.39241    0.67724    0.68674   
 C17708   C    2.40554    0.69033    0.69366   
 C17709   C    2.36112    0.71848    0.57086   
 C17710   C    2.36210    0.70231    0.59617   
 C17711   C    2.34687    0.69089    0.59678   
 H17712   H    2.31458    0.61728    0.73902   
 H17713   H    2.32103    0.61901    0.58998   
 H17714   H    2.34640    0.64145    0.59785   
 H17715   H    2.34019    0.63951    0.74789   
 H17716   H    2.31536    0.75606    0.51325   
 H17717   H    2.32076    0.70653    0.44795   
 H17718   H    2.34691    0.69869    0.50340   
 H17719   H    2.34159    0.74855    0.56897   
 H17720   H    2.41500    0.78219    0.63345   
 H17721   H    2.45650    0.74212    0.61010   
 H17722   H    2.43019    0.72044    0.60561   
 H17723   H    2.38839    0.76077    0.62826   
 H17724   H    2.41424    0.64339    0.85917   
 H17725   H    2.45631    0.65498    0.75386   
 H17726   H    2.43021    0.66279    0.69823   
 H17727   H    2.38785    0.65102    0.80400   
 H17728   H    2.37603    0.74241    0.56157   
 H17729   H    2.33372    0.66784    0.62350   
 H17730   H    2.41547    0.71596    0.67852   
 H17731   H    2.37598    0.63915    0.73039   
 H17732   H    2.33373    0.69416    0.58048   
 H17733   H    2.41546    0.68964    0.72154   
 O17734   O    2.29502    0.59949    0.61874   
 O17735   O    2.29351    0.59784    0.69764   
 O17736   O    2.29258    0.75084    0.44983   
 O17737   O    2.29489    0.72452    0.41607   
 O17738   O    2.47048    0.77129    0.62469   
 O17739   O    2.44790    0.79217    0.63227   
 O17740   O    2.44762    0.64013    0.88445   
 O17741   O    2.46997    0.64674    0.82958   
 H17742   H    2.74548    0.70399    0.41881   
 H17743   H    2.76518    0.71115    0.47368   
 H17744   H    2.72289    0.70291    0.42669   
 O17745   O    2.76597    0.71051    0.44005   
 O17746   O    2.73265    0.70176    0.40269   
 H17747   H    2.77148    0.77037    0.44473   
 O17748   O    2.76597    0.76431    0.41850   
 H17749   H    2.76360    0.62443    0.62159   
 H17750   H    2.72398    0.61402    0.56503   
 H17751   H    2.75420    0.61280    0.58212   
 O17752   O    2.76663    0.61534    0.59958   
 O17753   O    2.73419    0.60587    0.55908   
 H17754   H    2.24572    0.70633    0.42933   
 H17755   H    2.27594    0.70018    0.42432   
 H17756   H    2.23629    0.71378    0.47557   
 O17757   O    2.26573    0.70205    0.40201   
 O17758   O    2.23327    0.71084    0.44351   
 H17759   H    2.29985    0.75136    0.35923   
 O17760   O    2.28605    0.75044    0.35614   
 H17761   H    2.27700    0.61356    0.57273   
 H17762   H    2.23469    0.62500    0.61442   
 H17763   H    2.25442    0.61047    0.57163   
 O17764   O    2.26723    0.60627    0.55880   
 O17765   O    2.23390    0.61434    0.59719   
 Zr17766  Zr   2.73191    0.76445    0.41514   
 Zr17767  Zr   2.77114    0.73504    0.41047   
 Zr17768  Zr   2.72839    0.58187    0.59098   
 Zr17769  Zr   2.26807    0.76446    0.41518   
 Zr17770  Zr   2.27153    0.72366    0.35929   
 Zr17771  Zr   2.22875    0.59325    0.64218   
 Zr17772  Zr   2.50032    0.78523    0.62426   
 O17773   O    2.74168    0.73956    0.40381   
 O17774   O    2.25704    0.73990    0.40535   
 H17775   H    4.18962    0.74211    0.42663   
 H17776   H    4.19907    0.76727    0.40396   
 H17777   H    4.19013    0.77666    0.35978   
 O17778   O    4.19999    0.77795    0.38348   
 O17779   O    4.20078    0.74918    0.43253   
 C17780   C    3.82298    0.57295    0.49128   
 C17781   C    3.81757    0.58455    0.52662   
 C17782   C    3.82611    0.60096    0.52778   
 C17783   C    3.83961    0.60574    0.49402   
 C17784   C    3.84511    0.59421    0.45830   
 C17785   C    3.83659    0.57769    0.45781   
 C17786   C    3.82324    0.69530    0.29164   
 C17787   C    3.81757    0.70108    0.33614   
 C17788   C    3.82680    0.69423    0.37574   
 C17789   C    3.84093    0.68159    0.37105   
 C17790   C    3.84643    0.67543    0.32656   
 C17791   C    3.83749    0.68275    0.28699   
 C17792   C    3.80220    0.57970    0.56066   
 C17793   C    3.80164    0.71397    0.34032   
 C17794   C    3.91774    0.66882    0.17610   
 C17795   C    3.93716    0.66763    0.18978   
 C17796   C    3.94151    0.66229    0.23553   
 C17797   C    3.92679    0.65789    0.26648   
 C17798   C    3.90728    0.65862    0.25268   
 C17799   C    3.90306    0.66444    0.20713   
 C17800   C    3.91823    0.54787    0.37293   
 C17801   C    3.93754    0.55306    0.37747   
 C17802   C    3.94166    0.57053    0.38580   
 C17803   C    3.92682    0.58260    0.38840   
 C17804   C    3.90740    0.57756    0.38295   
 C17805   C    3.90340    0.55993    0.37583   
 C17806   C    3.95327    0.54002    0.37321   
 C17807   C    3.95296    0.67165    0.15618   
 C17808   C    3.86120    0.66330    0.32268   
 C17809   C    3.86219    0.64750    0.34967   
 C17810   C    3.84693    0.64197    0.37676   
 C17811   C    3.87634    0.66588    0.28978   
 C17812   C    3.87769    0.63576    0.34573   
 C17813   C    3.89264    0.58978    0.39144   
 C17814   C    3.89250    0.60626    0.36751   
 C17815   C    3.90566    0.61011    0.33287   
 C17816   C    3.87630    0.58623    0.41998   
 C17817   C    3.87768    0.61853    0.37389   
 C17818   C    3.86116    0.59816    0.42916   
 C17819   C    3.86217    0.61434    0.40387   
 C17820   C    3.84692    0.62576    0.40327   
 C17821   C    3.89268    0.65491    0.28496   
 C17822   C    3.89252    0.63941    0.31331   
 C17823   C    3.90567    0.62632    0.30637   
 H17824   H    3.81625    0.56031    0.49042   
 H17825   H    3.82173    0.60997    0.55495   
 H17826   H    3.84594    0.61858    0.49528   
 H17827   H    3.84059    0.56853    0.43068   
 H17828   H    3.81617    0.70072    0.26111   
 H17829   H    3.82238    0.69870    0.41022   
 H17830   H    3.84771    0.67629    0.40224   
 H17831   H    3.84161    0.67838    0.25218   
 H17832   H    3.91449    0.67310    0.14074   
 H17833   H    3.95653    0.66163    0.24620   
 H17834   H    3.93042    0.65368    0.30173   
 H17835   H    3.88810    0.66537    0.19583   
 H17836   H    3.91516    0.53430    0.36682   
 H17837   H    3.95662    0.57443    0.39015   
 H17838   H    3.93030    0.59608    0.39464   
 H17839   H    3.88851    0.55572    0.37198   
 H17840   H    3.87611    0.67750    0.26964   
 H17841   H    3.91559    0.60069    0.32150   
 H17842   H    3.83379    0.64881    0.37653   
 H17843   H    3.87606    0.57424    0.43845   
 H17844   H    3.91560    0.62701    0.27847   
 H17845   H    3.83378    0.62249    0.41956   
 O17846   O    3.79297    0.71794    0.30260   
 O17847   O    3.79404    0.56521    0.55435   
 O17848   O    3.79811    0.59045    0.59282   
 O17849   O    3.79759    0.71974    0.38073   
 O17850   O    3.97023    0.66993    0.17048   
 O17851   O    3.94790    0.67650    0.11555   
 O17852   O    3.94805    0.52443    0.36778   
 O17853   O    3.97061    0.54534    0.37535   
 C17854   C    4.17685    0.57311    0.49115   
 C17855   C    4.18254    0.58488    0.52586   
 C17856   C    4.17339    0.60102    0.52793   
 C17857   C    4.15928    0.60546    0.49541   
 C17858   C    4.15376    0.59385    0.45981   
 C17859   C    4.16267    0.57753    0.45882   
 C17860   C    4.17672    0.69537    0.29092   
 C17861   C    4.18216    0.70142    0.33532   
 C17862   C    4.17349    0.69415    0.37511   
 C17863   C    4.15997    0.68094    0.37060   
 C17864   C    4.15453    0.67468    0.32624   
 C17865   C    4.16310    0.68226    0.28649   
 C17866   C    4.19838    0.58015    0.55889   
 C17867   C    4.19761    0.71472    0.33971   
 C17868   C    4.08190    0.66989    0.17764   
 C17869   C    4.06255    0.66904    0.19205   
 C17870   C    4.05841    0.66352    0.23774   
 C17871   C    4.07319    0.65855    0.26788   
 C17872   C    4.09264    0.65902    0.25340   
 C17873   C    4.09667    0.66502    0.20793   
 C17874   C    4.08205    0.54762    0.37782   
 C17875   C    4.06273    0.55267    0.38337   
 C17876   C    4.05851    0.57023    0.38984   
 C17877   C    4.07325    0.58247    0.38996   
 C17878   C    4.09269    0.57755    0.38405   
 C17879   C    4.09676    0.55986    0.37833   
 C17880   C    4.04692    0.67362    0.15833   
 C17881   C    4.04700    0.53957    0.37988   
 C17882   C    4.10737    0.65491    0.28496   
 C17883   C    4.10750    0.63941    0.31328   
 C17884   C    4.09437    0.62632    0.30636   
 C17885   C    4.12370    0.66587    0.28977   
 C17886   C    4.12232    0.63577    0.34574   
 C17887   C    4.13878    0.59816    0.42916   
 C17888   C    4.13781    0.61434    0.40385   
 C17889   C    4.15304    0.62576    0.40325   
 C17890   C    4.12367    0.58623    0.41999   
 C17891   C    4.12230    0.61853    0.37389   
 C17892   C    4.10733    0.58978    0.39144   
 C17893   C    4.10749    0.60625    0.36748   
 C17894   C    4.09436    0.61010    0.33286   
 C17895   C    4.13882    0.66330    0.32268   
 C17896   C    4.13783    0.64749    0.34965   
 C17897   C    4.15305    0.64197    0.37675   
 H17898   H    4.18390    0.56059    0.48980   
 H17899   H    4.17785    0.61013    0.55484   
 H17900   H    4.15255    0.61812    0.49733   
 H17901   H    4.15853    0.56826    0.43204   
 H17902   H    4.18350    0.70100    0.26026   
 H17903   H    4.17784    0.69876    0.40947   
 H17904   H    4.15360    0.67536    0.40193   
 H17905   H    4.15912    0.67772    0.25179   
 H17906   H    4.08505    0.67425    0.14233   
 H17907   H    4.04342    0.66285    0.24879   
 H17908   H    4.06963    0.65411    0.30293   
 H17909   H    4.11158    0.66568    0.19600   
 H17910   H    4.08522    0.53403    0.37270   
 H17911   H    4.04355    0.57412    0.39374   
 H17912   H    4.06966    0.59602    0.39450   
 H17913   H    4.11165    0.55569    0.37389   
 H17914   H    4.16618    0.62249    0.41955   
 H17915   H    4.12393    0.67750    0.26964   
 H17916   H    4.12388    0.57423    0.43845   
 H17917   H    4.08445    0.62701    0.27848   
 H17918   H    4.16619    0.64881    0.37652   
 H17919   H    4.08444    0.60069    0.32151   
 O17920   O    4.20587    0.71939    0.30205   
 O17921   O    4.20239    0.59062    0.59167   
 O17922   O    4.20700    0.56596    0.55091   
 O17923   O    4.20172    0.72014    0.38052   
 O17924   O    4.05206    0.52427    0.36970   
 O17925   O    4.02965    0.67375    0.17321   
 O17926   O    4.05214    0.67673    0.11651   
 O17927   O    4.02976    0.54466    0.38633   
 H17928   H    3.76464    0.58720    0.54810   
 O17929   O    3.76077    0.58178    0.57700   
 H17930   H    3.80984    0.74065    0.41878   
 H17931   H    3.80089    0.75946    0.41691   
 H17932   H    3.81037    0.77864    0.36728   
 O17933   O    3.79918    0.77722    0.38692   
 O17934   O    3.79999    0.74779    0.43288   
 H17935   H    3.70025    0.52943    0.59446   
 H17936   H    3.69933    0.55686    0.58199   
 H17937   H    3.70368    0.56502    0.53231   
 O17938   O    3.70073    0.56815    0.56425   
 O17939   O    3.70050    0.53954    0.61402   
 H17940   H    3.76350    0.70681    0.35061   
 O17941   O    3.75930    0.71868    0.35067   
 H17942   H    4.23643    0.58687    0.54662   
 O17943   O    4.24061    0.58136    0.57513   
 H17944   H    4.23529    0.70712    0.35199   
 O17945   O    4.23916    0.71908    0.35249   
 Zr17946  Zr   3.77367    0.59163    0.64655   
 Zr17947  Zr   3.72667    0.72462    0.35203   
 Zr17948  Zr   4.27326    0.57908    0.59009   
 Zr17949  Zr   4.22623    0.73717    0.40848   
 Zr17950  Zr   4.00045    0.53148    0.37567   
 Zr17951  Zr   4.03629    0.50007    0.35006   
 O17952   O    3.73916    0.55612    0.59934   
 O17953   O    4.22381    0.56594    0.64351   
 C17954   C    3.75861    0.37262    0.71385   
 C17955   C    3.74494    0.38227    0.73898   
 C17956   C    3.73166    0.39243    0.71415   
 C17957   C    3.73233    0.39328    0.66550   
 C17958   C    3.74627    0.38392    0.64001   
 C17959   C    3.75919    0.37342    0.66519   
 C17960   C    3.75868    0.49483    0.51337   
 C17961   C    3.74479    0.49864    0.54765   
 C17962   C    3.73193    0.48563    0.56163   
 C17963   C    3.73313    0.46914    0.54241   
 C17964   C    3.74713    0.46515    0.50827   
 C17965   C    3.75976    0.47839    0.49396   
 C17966   C    3.74513    0.38181    0.79122   
 C17967   C    3.74454    0.51598    0.57024   
 C17968   C    3.75996    0.32239    0.48469   
 C17969   C    3.74667    0.31869    0.44899   
 C17970   C    3.73318    0.33134    0.43608   
 C17971   C    3.73327    0.34743    0.45774   
 C17972   C    3.74686    0.35142    0.49279   
 C17973   C    3.75998    0.33848    0.50630   
 C17974   C    3.76003    0.44291    0.28590   
 C17975   C    3.74639    0.43318    0.26094   
 C17976   C    3.73304    0.42309    0.28579   
 C17977   C    3.73362    0.42241    0.33445   
 C17978   C    3.74752    0.43188    0.35978   
 C17979   C    3.76050    0.44232    0.33458   
 C17980   C    3.74637    0.43367    0.20874   
 C17981   C    3.74704    0.30174    0.42444   
 C17982   C    3.74614    0.43251    0.40905   
 C17983   C    3.74529    0.41682    0.43657   
 C17984   C    3.74738    0.40078    0.41637   
 C17985   C    3.74733    0.44814    0.43490   
 C17986   C    3.74458    0.41694    0.48593   
 C17987   C    3.74608    0.38414    0.59098   
 C17988   C    3.74524    0.39983    0.56348   
 C17989   C    3.74733    0.41587    0.58366   
 C17990   C    3.74731    0.36850    0.56512   
 C17991   C    3.74457    0.39971    0.51409   
 C17992   C    3.74611    0.36737    0.51553   
 C17993   C    3.74527    0.38367    0.49077   
 C17994   C    3.74737    0.38457    0.44287   
 C17995   C    3.74611    0.44928    0.48449   
 C17996   C    3.74526    0.43299    0.50928   
 C17997   C    3.74733    0.43208    0.55716   
 H17998   H    3.76880    0.36471    0.73316   
 H17999   H    3.72111    0.39990    0.73372   
 H18000   H    3.72207    0.40141    0.64704   
 H18001   H    3.76995    0.36591    0.64635   
 H18002   H    3.76864    0.50493    0.50279   
 H18003   H    3.72128    0.48856    0.58843   
 H18004   H    3.72317    0.45920    0.55412   
 H18005   H    3.77066    0.47569    0.46752   
 H18006   H    3.77027    0.31248    0.49472   
 H18007   H    3.72274    0.32834    0.40895   
 H18008   H    3.72277    0.35712    0.44714   
 H18009   H    3.77047    0.34115    0.53377   
 H18010   H    3.77022    0.45079    0.26643   
 H18011   H    3.72228    0.41583    0.26632   
 H18012   H    3.72323    0.41446    0.35307   
 H18013   H    3.77123    0.44986    0.35338   
 H18014   H    3.75054    0.41697    0.61957   
 H18015   H    3.74780    0.45996    0.41560   
 H18016   H    3.74775    0.35669    0.58442   
 H18017   H    3.75062    0.39968    0.38045   
 H18018   H    3.75055    0.44329    0.57655   
 H18019   H    3.75061    0.37336    0.42347   
 O18020   O    3.75784    0.52640    0.55843   
 O18021   O    3.73187    0.38980    0.81288   
 O18022   O    3.75898    0.37361    0.81018   
 O18023   O    3.73140    0.51900    0.60023   
 O18024   O    3.73491    0.29936    0.39169   
 O18025   O    3.75957    0.29092    0.43823   
 O18026   O    3.75843    0.44379    0.18958   
 O18027   O    3.73439    0.42406    0.18735   
 C18028   C    4.23996    0.32249    0.48268   
 C18029   C    4.25361    0.31885    0.44779   
 C18030   C    4.26696    0.33165    0.43518   
 C18031   C    4.26639    0.34786    0.45622   
 C18032   C    4.25251    0.35174    0.49073   
 C18033   C    4.23948    0.33865    0.50395   
 C18034   C    4.24015    0.44358    0.28673   
 C18035   C    4.25339    0.43359    0.26127   
 C18036   C    4.26689    0.42351    0.28558   
 C18037   C    4.26684    0.42310    0.33428   
 C18038   C    4.25328    0.43272    0.36016   
 C18039   C    4.24014    0.44315    0.33543   
 C18040   C    4.25299    0.43344    0.20916   
 C18041   C    4.25366    0.30157    0.42473   
 C18042   C    4.24099    0.37248    0.71400   
 C18043   C    4.25488    0.38181    0.73915   
 C18044   C    4.26772    0.39252    0.71472   
 C18045   C    4.26653    0.39402    0.66618   
 C18046   C    4.25259    0.38474    0.64057   
 C18047   C    4.23992    0.37387    0.66548   
 C18048   C    4.24127    0.49471    0.51386   
 C18049   C    4.25492    0.49836    0.54878   
 C18050   C    4.26822    0.48551    0.56138   
 C18051   C    4.26752    0.46928    0.54052   
 C18052   C    4.25360    0.46536    0.50615   
 C18053   C    4.24067    0.47851    0.49279   
 C18054   C    4.25520    0.38097    0.79125   
 C18055   C    4.25469    0.51556    0.57235   
 C18056   C    4.25380    0.44928    0.48449   
 C18057   C    4.25464    0.43298    0.50926   
 C18058   C    4.25254    0.43208    0.55715   
 C18059   C    4.25261    0.44815    0.43492   
 C18060   C    4.25534    0.41694    0.48593   
 C18061   C    4.25380    0.36737    0.51553   
 C18062   C    4.25465    0.38366    0.49074   
 C18063   C    4.25257    0.38456    0.44286   
 C18064   C    4.25256    0.36850    0.56510   
 C18065   C    4.25533    0.39971    0.51410   
 C18066   C    4.25377    0.38414    0.59097   
 C18067   C    4.25462    0.39983    0.56346   
 C18068   C    4.25253    0.41587    0.58366   
 C18069   C    4.25383    0.43250    0.40905   
 C18070   C    4.25466    0.41681    0.43654   
 C18071   C    4.25258    0.40078    0.41636   
 H18072   H    4.22977    0.31246    0.49252   
 H18073   H    4.27773    0.32870    0.40870   
 H18074   H    4.27679    0.35765    0.44584   
 H18075   H    4.22876    0.34124    0.53082   
 H18076   H    4.22985    0.45145    0.26761   
 H18077   H    4.27729    0.41601    0.26571   
 H18078   H    4.27734    0.41515    0.35256   
 H18079   H    4.22969    0.45088    0.35458   
 H18080   H    4.23103    0.36427    0.73312   
 H18081   H    4.27836    0.39987    0.73437   
 H18082   H    4.27651    0.40251    0.64789   
 H18083   H    4.22904    0.36654    0.64660   
 H18084   H    4.23110    0.50473    0.50399   
 H18085   H    4.27880    0.48833    0.58846   
 H18086   H    4.27780    0.45943    0.55129   
 H18087   H    4.22991    0.47592    0.46597   
 H18088   H    4.25215    0.45996    0.41561   
 H18089   H    4.24935    0.37336    0.42348   
 H18090   H    4.24930    0.44329    0.57655   
 H18091   H    4.25210    0.35669    0.58442   
 H18092   H    4.24937    0.39968    0.38045   
 H18093   H    4.24929    0.41697    0.61958   
 O18094   O    4.26568    0.29903    0.39182   
 O18095   O    4.24160    0.29057    0.44009   
 O18096   O    4.24048    0.44298    0.18961   
 O18097   O    4.26511    0.42385    0.18820   
 O18098   O    4.24081    0.52555    0.56169   
 O18099   O    4.24193    0.37219    0.81063   
 O18100   O    4.26837    0.38930    0.81251   
 O18101   O    4.26790    0.51889    0.60178   
 H18102   H    4.20015    0.25230    0.35749   
 O18103   O    4.21396    0.25170    0.35391   
 H18104   H    3.72848    0.27133    0.44307   
 O18105   O    3.73400    0.26557    0.41632   
 H18106   H    4.29613    0.52902    0.59131   
 H18107   H    4.30049    0.54906    0.59497   
 H18108   H    4.29964    0.56594    0.53500   
 O18109   O    4.29935    0.56758    0.56843   
 O18110   O    4.29909    0.53799    0.61371   
 H18111   H    3.97166    0.51854    0.43649   
 O18112   O    3.97996    0.51324    0.41354   
 H18113   H    4.02820    0.46801    0.40049   
 O18114   O    4.02014    0.47661    0.38587   
 H18115   H    4.01355    0.30642    0.49320   
 H18116   H    4.00024    0.29354    0.52176   
 H18117   H    4.01056    0.26908    0.54766   
 O18118   O    3.99966    0.27639    0.55448   
 O18119   O    4.00074    0.30533    0.50627   
 H18120   H    4.01072    0.54759    0.45223   
 H18121   H    4.00034    0.52317    0.47822   
 H18122   H    4.01362    0.51031    0.50677   
 O18123   O    4.00080    0.51139    0.49372   
 O18124   O    3.99980    0.54032    0.44542   
 H18125   H    3.99968    0.36393    0.58692   
 H18126   H    3.98918    0.35431    0.52100   
 H18127   H    3.98651    0.37454    0.62188   
 O18128   O    4.00017    0.35181    0.54051   
 O18129   O    3.99929    0.36967    0.61884   
 H18130   H    3.97154    0.29811    0.56352   
 O18131   O    3.97984    0.30342    0.58640   
 H18132   H    4.02814    0.34872    0.59942   
 O18133   O    4.02007    0.34012    0.61404   
 H18134   H    3.98658    0.44215    0.37809   
 H18135   H    3.98926    0.46240    0.47895   
 H18136   H    3.99976    0.45277    0.41305   
 O18137   O    3.99937    0.44702    0.38116   
 O18138   O    4.00026    0.46490    0.45946   
 Zr18139  Zr   3.76807    0.55207    0.58473   
 Zr18140  Zr   4.23176    0.55206    0.58469   
 Zr18141  Zr   3.96384    0.50000    0.35013   
 Zr18142  Zr   3.99954    0.32608    0.56467   
 Zr18143  Zr   3.99961    0.49061    0.43528   
 O18144   O    3.77600    0.56484    0.64542   
 O18145   O    4.24296    0.27271    0.35172   
 O18146   O    4.26069    0.55501    0.60121   
 O18147   O    3.75833    0.27237    0.35019   
 O18148   O    4.01523    0.30742    0.60470   
 O18149   O    3.98456    0.33339    0.62456   
 O18150   O    3.98463    0.48326    0.37541   
 O18151   O    4.01534    0.50931    0.39520   
 C18152   C    4.17754    0.12239    0.70953   
 C18153   C    4.18368    0.11678    0.66524   
 C18154   C    4.17455    0.12339    0.62522   
 C18155   C    4.15992    0.13561    0.62943   
 C18156   C    4.15401    0.14165    0.67368   
 C18157   C    4.16291    0.13458    0.71363   
 C18158   C    4.17816    0.24305    0.51140   
 C18159   C    4.18383    0.23120    0.47691   
 C18160   C    4.17461    0.21509    0.47468   
 C18161   C    4.16035    0.21078    0.50699   
 C18162   C    4.15482    0.22246    0.54230   
 C18163   C    4.16380    0.23876    0.54345   
 C18164   C    4.19953    0.23588    0.44354   
 C18165   C    4.19984    0.10425    0.66056   
 C18166   C    4.08181    0.26906    0.62282   
 C18167   C    4.06249    0.26405    0.61713   
 C18168   C    4.05819    0.24651    0.61084   
 C18169   C    4.07288    0.23422    0.61087   
 C18170   C    4.09232    0.23911    0.61672   
 C18171   C    4.09648    0.25679    0.62242   
 C18172   C    4.08173    0.14666    0.82223   
 C18173   C    4.06240    0.14755    0.80772   
 C18174   C    4.05834    0.15302    0.76191   
 C18175   C    4.07318    0.15794    0.73191   
 C18176   C    4.09260    0.15747    0.74651   
 C18177   C    4.09658    0.15147    0.79205   
 C18178   C    4.04682    0.27717    0.62023   
 C18179   C    4.04669    0.14309    0.84141   
 C18180   C    4.13874    0.21848    0.57086   
 C18181   C    4.13774    0.20230    0.59615   
 C18182   C    4.15299    0.19089    0.59676   
 C18183   C    4.12361    0.23042    0.58004   
 C18184   C    4.12223    0.19811    0.62613   
 C18185   C    4.10723    0.16174    0.71506   
 C18186   C    4.10739    0.17724    0.68671   
 C18187   C    4.09424    0.19033    0.69365   
 C18188   C    4.12357    0.15077    0.71024   
 C18189   C    4.12222    0.18088    0.65430   
 C18190   C    4.13871    0.15335    0.67734   
 C18191   C    4.13772    0.16915    0.65035   
 C18192   C    4.15298    0.17468    0.62326   
 C18193   C    4.10726    0.22687    0.60858   
 C18194   C    4.10740    0.21039    0.63251   
 C18195   C    4.09425    0.20654    0.66715   
 H18196   H    4.18458    0.11710    0.74036   
 H18197   H    4.17913    0.11883    0.59107   
 H18198   H    4.15306    0.14067    0.59803   
 H18199   H    4.15842    0.13883    0.74823   
 H18200   H    4.18527    0.25554    0.51265   
 H18201   H    4.17880    0.20609    0.44739   
 H18202   H    4.15343    0.19821    0.50485   
 H18203   H    4.15964    0.24805    0.57009   
 H18204   H    4.08502    0.28265    0.62791   
 H18205   H    4.04320    0.24266    0.60691   
 H18206   H    4.06925    0.22066    0.60637   
 H18207   H    4.11135    0.26093    0.62694   
 H18208   H    4.08481    0.14231    0.85758   
 H18209   H    4.04336    0.15372    0.75067   
 H18210   H    4.06970    0.16237    0.69678   
 H18211   H    4.11144    0.15077    0.80410   
 H18212   H    4.12385    0.24241    0.56157   
 H18213   H    4.08431    0.18964    0.72155   
 H18214   H    4.16613    0.19416    0.58047   
 H18215   H    4.12380    0.13915    0.73038   
 H18216   H    4.08432    0.21596    0.67852   
 H18217   H    4.16612    0.16784    0.62349   
 O18218   O    4.20498    0.10000    0.61941   
 O18219   O    4.20729    0.09875    0.69831   
 O18220   O    4.20639    0.25103    0.44700   
 O18221   O    4.20490    0.22450    0.41422   
 O18222   O    4.05189    0.14003    0.88328   
 O18223   O    4.05191    0.29248    0.63024   
 O18224   O    4.02957    0.27211    0.61366   
 O18225   O    4.02943    0.14299    0.82655   
 C18226   C    3.82168    0.12270    0.70848   
 C18227   C    3.81601    0.11692    0.66399   
 C18228   C    3.82522    0.12372    0.62436   
 C18229   C    3.83949    0.13628    0.62899   
 C18230   C    3.84505    0.14238    0.67349   
 C18231   C    3.83603    0.13516    0.71313   
 C18232   C    3.82241    0.24357    0.51156   
 C18233   C    3.81625    0.23169    0.47761   
 C18234   C    3.82539    0.21557    0.47474   
 C18235   C    3.84006    0.21126    0.50591   
 C18236   C    3.84600    0.22292    0.54096   
 C18237   C    3.83709    0.23923    0.54266   
 C18238   C    3.80006    0.23597    0.44540   
 C18239   C    3.80034    0.10381    0.65967   
 C18240   C    3.91809    0.26862    0.62736   
 C18241   C    3.93741    0.26349    0.62278   
 C18242   C    3.94154    0.24603    0.61446   
 C18243   C    3.92671    0.23392    0.61186   
 C18244   C    3.90727    0.23892    0.61726   
 C18245   C    3.90327    0.25654    0.62443   
 C18246   C    3.91749    0.14766    0.82385   
 C18247   C    3.93689    0.14894    0.81018   
 C18248   C    3.94128    0.15426    0.76446   
 C18249   C    3.92657    0.15860    0.73345   
 C18250   C    3.90705    0.15779    0.74717   
 C18251   C    3.90281    0.15198    0.79271   
 C18252   C    3.95270    0.14498    0.84384   
 C18253   C    3.95314    0.27656    0.62693   
 C18254   C    3.89257    0.22687    0.60858   
 C18255   C    3.89242    0.21040    0.63254   
 C18256   C    3.90555    0.20654    0.66716   
 C18257   C    3.87625    0.23042    0.58005   
 C18258   C    3.87760    0.19811    0.62612   
 C18259   C    3.86109    0.15335    0.67734   
 C18260   C    3.86208    0.16915    0.65037   
 C18261   C    3.84686    0.17468    0.62328   
 C18262   C    3.87620    0.15077    0.71023   
 C18263   C    3.87760    0.18088    0.65430   
 C18264   C    3.89254    0.16174    0.71506   
 C18265   C    3.89241    0.17724    0.68674   
 C18266   C    3.90554    0.19033    0.69366   
 C18267   C    3.86112    0.21848    0.57086   
 C18268   C    3.86210    0.20231    0.59617   
 C18269   C    3.84687    0.19089    0.59678   
 H18270   H    3.81458    0.11728    0.73902   
 H18271   H    3.82103    0.11901    0.58998   
 H18272   H    3.84640    0.14145    0.59785   
 H18273   H    3.84019    0.13951    0.74789   
 H18274   H    3.81536    0.25606    0.51325   
 H18275   H    3.82076    0.20653    0.44795   
 H18276   H    3.84691    0.19869    0.50340   
 H18277   H    3.84159    0.24855    0.56897   
 H18278   H    3.91500    0.28219    0.63345   
 H18279   H    3.95650    0.24212    0.61010   
 H18280   H    3.93019    0.22044    0.60561   
 H18281   H    3.88839    0.26077    0.62826   
 H18282   H    3.91424    0.14339    0.85917   
 H18283   H    3.95631    0.15498    0.75386   
 H18284   H    3.93021    0.16279    0.69823   
 H18285   H    3.88785    0.15102    0.80400   
 H18286   H    3.87603    0.24241    0.56157   
 H18287   H    3.83372    0.16784    0.62350   
 H18288   H    3.91547    0.21596    0.67852   
 H18289   H    3.87598    0.13915    0.73039   
 H18290   H    3.83373    0.19416    0.58048   
 H18291   H    3.91546    0.18964    0.72154   
 O18292   O    3.79502    0.09949    0.61874   
 O18293   O    3.79351    0.09784    0.69764   
 O18294   O    3.79258    0.25084    0.44983   
 O18295   O    3.79489    0.22452    0.41607   
 O18296   O    3.97048    0.27129    0.62469   
 O18297   O    3.94790    0.29217    0.63227   
 O18298   O    3.94762    0.14013    0.88445   
 O18299   O    3.96997    0.14674    0.82958   
 H18300   H    4.24548    0.20399    0.41881   
 H18301   H    4.26518    0.21115    0.47368   
 H18302   H    4.22289    0.20291    0.42669   
 O18303   O    4.26597    0.21051    0.44005   
 O18304   O    4.23265    0.20176    0.40269   
 H18305   H    4.27148    0.27037    0.44473   
 O18306   O    4.26597    0.26431    0.41850   
 H18307   H    4.26360    0.12443    0.62159   
 H18308   H    4.22398    0.11402    0.56503   
 H18309   H    4.25420    0.11280    0.58212   
 O18310   O    4.26663    0.11534    0.59958   
 O18311   O    4.23419    0.10587    0.55908   
 H18312   H    3.74572    0.20633    0.42933   
 H18313   H    3.77594    0.20018    0.42432   
 H18314   H    3.73629    0.21378    0.47557   
 O18315   O    3.76573    0.20205    0.40201   
 O18316   O    3.73327    0.21084    0.44351   
 H18317   H    3.79985    0.25136    0.35923   
 O18318   O    3.78605    0.25044    0.35614   
 H18319   H    3.77700    0.11356    0.57273   
 H18320   H    3.73469    0.12500    0.61442   
 H18321   H    3.75442    0.11047    0.57163   
 O18322   O    3.76723    0.10627    0.55880   
 O18323   O    3.73390    0.11434    0.59719   
 Zr18324  Zr   4.23191    0.26445    0.41514   
 Zr18325  Zr   4.27114    0.23504    0.41047   
 Zr18326  Zr   4.22839    0.08187    0.59098   
 Zr18327  Zr   3.76807    0.26446    0.41518   
 Zr18328  Zr   3.77153    0.22366    0.35929   
 Zr18329  Zr   3.72875    0.09325    0.64218   
 Zr18330  Zr   4.00032    0.28523    0.62426   
 O18331   O    4.24168    0.23956    0.40381   
 O18332   O    3.75704    0.23990    0.40535   
 C18333   C    3.25861    0.87262    0.71385   
 C18334   C    3.24494    0.88227    0.73898   
 C18335   C    3.23166    0.89243    0.71415   
 C18336   C    3.23233    0.89328    0.66550   
 C18337   C    3.24627    0.88392    0.64001   
 C18338   C    3.25919    0.87342    0.66519   
 C18339   C    3.25868    0.99483    0.51337   
 C18340   C    3.24479    0.99864    0.54765   
 C18341   C    3.23193    0.98563    0.56163   
 C18342   C    3.23313    0.96914    0.54241   
 C18343   C    3.24713    0.96515    0.50827   
 C18344   C    3.25976    0.97839    0.49396   
 C18345   C    3.24513    0.88181    0.79122   
 C18346   C    3.24454    1.01598    0.57024   
 C18347   C    3.25996    0.82239    0.48469   
 C18348   C    3.24667    0.81869    0.44899   
 C18349   C    3.23318    0.83134    0.43608   
 C18350   C    3.23327    0.84743    0.45774   
 C18351   C    3.24686    0.85142    0.49279   
 C18352   C    3.25998    0.83848    0.50630   
 C18353   C    3.26003    0.94291    0.28590   
 C18354   C    3.24639    0.93318    0.26094   
 C18355   C    3.23304    0.92309    0.28579   
 C18356   C    3.23362    0.92241    0.33445   
 C18357   C    3.24752    0.93188    0.35978   
 C18358   C    3.26050    0.94232    0.33458   
 C18359   C    3.24637    0.93367    0.20874   
 C18360   C    3.24704    0.80174    0.42444   
 C18361   C    3.24614    0.93251    0.40905   
 C18362   C    3.24529    0.91682    0.43657   
 C18363   C    3.24738    0.90078    0.41637   
 C18364   C    3.24733    0.94814    0.43490   
 C18365   C    3.24458    0.91694    0.48593   
 C18366   C    3.24608    0.88414    0.59098   
 C18367   C    3.24524    0.89983    0.56348   
 C18368   C    3.24733    0.91587    0.58366   
 C18369   C    3.24731    0.86850    0.56512   
 C18370   C    3.24457    0.89971    0.51409   
 C18371   C    3.24611    0.86737    0.51553   
 C18372   C    3.24527    0.88367    0.49077   
 C18373   C    3.24737    0.88457    0.44287   
 C18374   C    3.24611    0.94928    0.48449   
 C18375   C    3.24526    0.93299    0.50928   
 C18376   C    3.24733    0.93208    0.55716   
 H18377   H    3.26880    0.86471    0.73316   
 H18378   H    3.22111    0.89990    0.73372   
 H18379   H    3.22207    0.90141    0.64704   
 H18380   H    3.26995    0.86591    0.64635   
 H18381   H    3.26864    1.00493    0.50279   
 H18382   H    3.22128    0.98856    0.58843   
 H18383   H    3.22317    0.95920    0.55412   
 H18384   H    3.27066    0.97569    0.46752   
 H18385   H    3.27027    0.81248    0.49472   
 H18386   H    3.22274    0.82834    0.40895   
 H18387   H    3.22277    0.85712    0.44714   
 H18388   H    3.27047    0.84115    0.53377   
 H18389   H    3.27022    0.95079    0.26643   
 H18390   H    3.22228    0.91583    0.26632   
 H18391   H    3.22323    0.91446    0.35307   
 H18392   H    3.27123    0.94986    0.35338   
 H18393   H    3.25054    0.91697    0.61957   
 H18394   H    3.24780    0.95996    0.41560   
 H18395   H    3.24775    0.85669    0.58442   
 H18396   H    3.25062    0.89968    0.38045   
 H18397   H    3.25055    0.94329    0.57655   
 H18398   H    3.25061    0.87336    0.42347   
 O18399   O    3.25784    1.02640    0.55843   
 O18400   O    3.23187    0.88980    0.81288   
 O18401   O    3.25898    0.87361    0.81018   
 O18402   O    3.23140    1.01900    0.60023   
 O18403   O    3.23491    0.79936    0.39169   
 O18404   O    3.25957    0.79092    0.43823   
 O18405   O    3.25843    0.94379    0.18958   
 O18406   O    3.23439    0.92406    0.18735   
 C18407   C    3.73996    0.82249    0.48268   
 C18408   C    3.75361    0.81885    0.44779   
 C18409   C    3.76696    0.83165    0.43518   
 C18410   C    3.76639    0.84786    0.45622   
 C18411   C    3.75251    0.85174    0.49073   
 C18412   C    3.73948    0.83865    0.50395   
 C18413   C    3.74015    0.94358    0.28673   
 C18414   C    3.75339    0.93359    0.26127   
 C18415   C    3.76689    0.92351    0.28558   
 C18416   C    3.76684    0.92310    0.33428   
 C18417   C    3.75328    0.93272    0.36016   
 C18418   C    3.74014    0.94315    0.33543   
 C18419   C    3.75299    0.93344    0.20916   
 C18420   C    3.75366    0.80157    0.42473   
 C18421   C    3.74099    0.87248    0.71400   
 C18422   C    3.75488    0.88181    0.73915   
 C18423   C    3.76772    0.89252    0.71472   
 C18424   C    3.76653    0.89402    0.66618   
 C18425   C    3.75259    0.88474    0.64057   
 C18426   C    3.73992    0.87387    0.66548   
 C18427   C    3.74127    0.99471    0.51386   
 C18428   C    3.75492    0.99836    0.54878   
 C18429   C    3.76822    0.98551    0.56138   
 C18430   C    3.76752    0.96928    0.54052   
 C18431   C    3.75360    0.96536    0.50615   
 C18432   C    3.74067    0.97851    0.49279   
 C18433   C    3.75520    0.88097    0.79125   
 C18434   C    3.75469    1.01556    0.57235   
 C18435   C    3.75380    0.94928    0.48449   
 C18436   C    3.75464    0.93298    0.50926   
 C18437   C    3.75254    0.93208    0.55715   
 C18438   C    3.75261    0.94815    0.43492   
 C18439   C    3.75534    0.91694    0.48593   
 C18440   C    3.75380    0.86737    0.51553   
 C18441   C    3.75465    0.88366    0.49074   
 C18442   C    3.75257    0.88456    0.44286   
 C18443   C    3.75256    0.86850    0.56510   
 C18444   C    3.75533    0.89971    0.51410   
 C18445   C    3.75377    0.88414    0.59097   
 C18446   C    3.75462    0.89983    0.56346   
 C18447   C    3.75253    0.91587    0.58366   
 C18448   C    3.75383    0.93250    0.40905   
 C18449   C    3.75466    0.91681    0.43654   
 C18450   C    3.75258    0.90078    0.41636   
 H18451   H    3.72977    0.81246    0.49252   
 H18452   H    3.77773    0.82870    0.40870   
 H18453   H    3.77679    0.85765    0.44584   
 H18454   H    3.72876    0.84124    0.53082   
 H18455   H    3.72985    0.95145    0.26761   
 H18456   H    3.77729    0.91601    0.26571   
 H18457   H    3.77734    0.91515    0.35256   
 H18458   H    3.72969    0.95088    0.35458   
 H18459   H    3.73103    0.86427    0.73312   
 H18460   H    3.77836    0.89987    0.73437   
 H18461   H    3.77651    0.90251    0.64789   
 H18462   H    3.72904    0.86654    0.64660   
 H18463   H    3.73110    1.00473    0.50399   
 H18464   H    3.77880    0.98833    0.58846   
 H18465   H    3.77780    0.95943    0.55129   
 H18466   H    3.72991    0.97592    0.46597   
 H18467   H    3.75215    0.95996    0.41561   
 H18468   H    3.74935    0.87336    0.42348   
 H18469   H    3.74930    0.94329    0.57655   
 H18470   H    3.75210    0.85669    0.58442   
 H18471   H    3.74937    0.89968    0.38045   
 H18472   H    3.74929    0.91697    0.61958   
 O18473   O    3.76568    0.79903    0.39182   
 O18474   O    3.74160    0.79057    0.44009   
 O18475   O    3.74048    0.94298    0.18961   
 O18476   O    3.76511    0.92385    0.18820   
 O18477   O    3.74081    1.02555    0.56169   
 O18478   O    3.74193    0.87219    0.81063   
 O18479   O    3.76837    0.88930    0.81251   
 O18480   O    3.76790    1.01889    0.60178   
 H18481   H    3.70015    0.75230    0.35749   
 O18482   O    3.71396    0.75170    0.35391   
 H18483   H    3.22848    0.77133    0.44307   
 O18484   O    3.23400    0.76557    0.41632   
 H18485   H    3.79613    1.02902    0.59131   
 H18486   H    3.80049    1.04906    0.59497   
 H18487   H    3.79964    1.06594    0.53500   
 O18488   O    3.79935    1.06758    0.56843   
 O18489   O    3.79909    1.03799    0.61371   
 H18490   H    3.47166    1.01854    0.43649   
 O18491   O    3.47996    1.01324    0.41354   
 H18492   H    3.52820    0.96801    0.40049   
 O18493   O    3.52014    0.97661    0.38587   
 H18494   H    3.51355    0.80642    0.49320   
 H18495   H    3.50024    0.79354    0.52176   
 H18496   H    3.51056    0.76908    0.54766   
 O18497   O    3.49966    0.77639    0.55448   
 O18498   O    3.50074    0.80533    0.50627   
 H18499   H    3.51072    1.04759    0.45223   
 H18500   H    3.50034    1.02317    0.47822   
 H18501   H    3.51362    1.01031    0.50677   
 O18502   O    3.50080    1.01139    0.49372   
 O18503   O    3.49980    1.04032    0.44542   
 H18504   H    3.49968    0.86393    0.58692   
 H18505   H    3.48918    0.85431    0.52100   
 H18506   H    3.48651    0.87454    0.62188   
 O18507   O    3.50017    0.85181    0.54051   
 O18508   O    3.49929    0.86967    0.61884   
 H18509   H    3.47154    0.79811    0.56352   
 O18510   O    3.47984    0.80342    0.58640   
 H18511   H    3.52814    0.84872    0.59942   
 O18512   O    3.52007    0.84012    0.61404   
 H18513   H    3.48658    0.94215    0.37809   
 H18514   H    3.48926    0.96240    0.47895   
 H18515   H    3.49976    0.95277    0.41305   
 O18516   O    3.49937    0.94702    0.38116   
 O18517   O    3.50026    0.96490    0.45946   
 Zr18518  Zr   3.26807    1.05207    0.58473   
 Zr18519  Zr   3.73176    1.05206    0.58469   
 Zr18520  Zr   3.46384    1.00000    0.35013   
 Zr18521  Zr   3.49954    0.82608    0.56467   
 Zr18522  Zr   3.49961    0.99061    0.43528   
 O18523   O    3.27600    1.06484    0.64542   
 O18524   O    3.74296    0.77271    0.35172   
 O18525   O    3.76069    1.05501    0.60121   
 O18526   O    3.25833    0.77237    0.35019   
 O18527   O    3.51523    0.80742    0.60470   
 O18528   O    3.48456    0.83339    0.62456   
 O18529   O    3.48463    0.98326    0.37541   
 O18530   O    3.51534    1.00931    0.39520   
 C18531   C    3.67754    0.62239    0.70953   
 C18532   C    3.68368    0.61678    0.66524   
 C18533   C    3.67455    0.62339    0.62522   
 C18534   C    3.65992    0.63561    0.62943   
 C18535   C    3.65401    0.64165    0.67368   
 C18536   C    3.66291    0.63458    0.71363   
 C18537   C    3.67816    0.74305    0.51140   
 C18538   C    3.68383    0.73120    0.47691   
 C18539   C    3.67461    0.71509    0.47468   
 C18540   C    3.66035    0.71078    0.50699   
 C18541   C    3.65482    0.72246    0.54230   
 C18542   C    3.66380    0.73876    0.54345   
 C18543   C    3.69953    0.73588    0.44354   
 C18544   C    3.69984    0.60425    0.66056   
 C18545   C    3.58181    0.76906    0.62282   
 C18546   C    3.56249    0.76405    0.61713   
 C18547   C    3.55819    0.74651    0.61084   
 C18548   C    3.57288    0.73422    0.61087   
 C18549   C    3.59232    0.73911    0.61672   
 C18550   C    3.59648    0.75679    0.62242   
 C18551   C    3.58173    0.64666    0.82223   
 C18552   C    3.56240    0.64755    0.80772   
 C18553   C    3.55834    0.65302    0.76191   
 C18554   C    3.57318    0.65794    0.73191   
 C18555   C    3.59260    0.65747    0.74651   
 C18556   C    3.59658    0.65147    0.79205   
 C18557   C    3.54682    0.77717    0.62023   
 C18558   C    3.54669    0.64309    0.84141   
 C18559   C    3.63874    0.71848    0.57086   
 C18560   C    3.63774    0.70230    0.59615   
 C18561   C    3.65299    0.69089    0.59676   
 C18562   C    3.62361    0.73042    0.58004   
 C18563   C    3.62223    0.69811    0.62613   
 C18564   C    3.60723    0.66174    0.71506   
 C18565   C    3.60739    0.67724    0.68671   
 C18566   C    3.59424    0.69033    0.69365   
 C18567   C    3.62357    0.65077    0.71024   
 C18568   C    3.62222    0.68088    0.65430   
 C18569   C    3.63871    0.65335    0.67734   
 C18570   C    3.63772    0.66915    0.65035   
 C18571   C    3.65298    0.67468    0.62326   
 C18572   C    3.60726    0.72687    0.60858   
 C18573   C    3.60740    0.71039    0.63251   
 C18574   C    3.59425    0.70654    0.66715   
 H18575   H    3.68458    0.61710    0.74036   
 H18576   H    3.67913    0.61883    0.59107   
 H18577   H    3.65306    0.64067    0.59803   
 H18578   H    3.65842    0.63883    0.74823   
 H18579   H    3.68527    0.75554    0.51265   
 H18580   H    3.67880    0.70609    0.44739   
 H18581   H    3.65343    0.69821    0.50485   
 H18582   H    3.65964    0.74805    0.57009   
 H18583   H    3.58502    0.78265    0.62791   
 H18584   H    3.54320    0.74266    0.60691   
 H18585   H    3.56925    0.72066    0.60637   
 H18586   H    3.61135    0.76093    0.62694   
 H18587   H    3.58481    0.64231    0.85758   
 H18588   H    3.54336    0.65372    0.75067   
 H18589   H    3.56970    0.66237    0.69678   
 H18590   H    3.61144    0.65077    0.80410   
 H18591   H    3.62385    0.74241    0.56157   
 H18592   H    3.58431    0.68964    0.72155   
 H18593   H    3.66613    0.69416    0.58047   
 H18594   H    3.62380    0.63915    0.73038   
 H18595   H    3.58432    0.71596    0.67852   
 H18596   H    3.66612    0.66784    0.62349   
 O18597   O    3.70498    0.60000    0.61941   
 O18598   O    3.70729    0.59875    0.69831   
 O18599   O    3.70639    0.75103    0.44700   
 O18600   O    3.70490    0.72450    0.41422   
 O18601   O    3.55189    0.64003    0.88328   
 O18602   O    3.55191    0.79248    0.63024   
 O18603   O    3.52957    0.77211    0.61366   
 O18604   O    3.52943    0.64299    0.82655   
 C18605   C    3.32168    0.62270    0.70848   
 C18606   C    3.31601    0.61692    0.66399   
 C18607   C    3.32522    0.62372    0.62436   
 C18608   C    3.33949    0.63628    0.62899   
 C18609   C    3.34505    0.64238    0.67349   
 C18610   C    3.33603    0.63516    0.71313   
 C18611   C    3.32241    0.74357    0.51156   
 C18612   C    3.31625    0.73169    0.47761   
 C18613   C    3.32539    0.71557    0.47474   
 C18614   C    3.34006    0.71126    0.50591   
 C18615   C    3.34600    0.72292    0.54096   
 C18616   C    3.33709    0.73923    0.54266   
 C18617   C    3.30006    0.73597    0.44540   
 C18618   C    3.30034    0.60381    0.65967   
 C18619   C    3.41809    0.76862    0.62736   
 C18620   C    3.43741    0.76349    0.62278   
 C18621   C    3.44154    0.74603    0.61446   
 C18622   C    3.42671    0.73392    0.61186   
 C18623   C    3.40727    0.73892    0.61726   
 C18624   C    3.40327    0.75654    0.62443   
 C18625   C    3.41749    0.64766    0.82385   
 C18626   C    3.43689    0.64894    0.81018   
 C18627   C    3.44128    0.65426    0.76446   
 C18628   C    3.42657    0.65860    0.73345   
 C18629   C    3.40705    0.65779    0.74717   
 C18630   C    3.40281    0.65198    0.79271   
 C18631   C    3.45270    0.64498    0.84384   
 C18632   C    3.45314    0.77656    0.62693   
 C18633   C    3.39257    0.72687    0.60858   
 C18634   C    3.39242    0.71040    0.63254   
 C18635   C    3.40555    0.70654    0.66716   
 C18636   C    3.37625    0.73042    0.58005   
 C18637   C    3.37760    0.69811    0.62612   
 C18638   C    3.36109    0.65335    0.67734   
 C18639   C    3.36208    0.66915    0.65037   
 C18640   C    3.34686    0.67468    0.62328   
 C18641   C    3.37620    0.65077    0.71023   
 C18642   C    3.37760    0.68088    0.65430   
 C18643   C    3.39254    0.66174    0.71506   
 C18644   C    3.39241    0.67724    0.68674   
 C18645   C    3.40554    0.69033    0.69366   
 C18646   C    3.36112    0.71848    0.57086   
 C18647   C    3.36210    0.70231    0.59617   
 C18648   C    3.34687    0.69089    0.59678   
 H18649   H    3.31458    0.61728    0.73902   
 H18650   H    3.32103    0.61901    0.58998   
 H18651   H    3.34640    0.64145    0.59785   
 H18652   H    3.34019    0.63951    0.74789   
 H18653   H    3.31536    0.75606    0.51325   
 H18654   H    3.32076    0.70653    0.44795   
 H18655   H    3.34691    0.69869    0.50340   
 H18656   H    3.34159    0.74855    0.56897   
 H18657   H    3.41500    0.78219    0.63345   
 H18658   H    3.45650    0.74212    0.61010   
 H18659   H    3.43019    0.72044    0.60561   
 H18660   H    3.38839    0.76077    0.62826   
 H18661   H    3.41424    0.64339    0.85917   
 H18662   H    3.45631    0.65498    0.75386   
 H18663   H    3.43021    0.66279    0.69823   
 H18664   H    3.38785    0.65102    0.80400   
 H18665   H    3.37603    0.74241    0.56157   
 H18666   H    3.33372    0.66784    0.62350   
 H18667   H    3.41547    0.71596    0.67852   
 H18668   H    3.37598    0.63915    0.73039   
 H18669   H    3.33373    0.69416    0.58048   
 H18670   H    3.41546    0.68964    0.72154   
 O18671   O    3.29502    0.59949    0.61874   
 O18672   O    3.29351    0.59784    0.69764   
 O18673   O    3.29258    0.75084    0.44983   
 O18674   O    3.29489    0.72452    0.41607   
 O18675   O    3.47048    0.77129    0.62469   
 O18676   O    3.44790    0.79217    0.63227   
 O18677   O    3.44762    0.64013    0.88445   
 O18678   O    3.46997    0.64674    0.82958   
 H18679   H    3.74548    0.70399    0.41881   
 H18680   H    3.76518    0.71115    0.47368   
 H18681   H    3.72289    0.70291    0.42669   
 O18682   O    3.76597    0.71051    0.44005   
 O18683   O    3.73265    0.70176    0.40269   
 H18684   H    3.77148    0.77037    0.44473   
 O18685   O    3.76597    0.76431    0.41850   
 H18686   H    3.76360    0.62443    0.62159   
 H18687   H    3.72398    0.61402    0.56503   
 H18688   H    3.75420    0.61280    0.58212   
 O18689   O    3.76663    0.61534    0.59958   
 O18690   O    3.73419    0.60587    0.55908   
 H18691   H    3.24572    0.70633    0.42933   
 H18692   H    3.27594    0.70018    0.42432   
 H18693   H    3.23629    0.71378    0.47557   
 O18694   O    3.26573    0.70205    0.40201   
 O18695   O    3.23327    0.71084    0.44351   
 H18696   H    3.29985    0.75136    0.35923   
 O18697   O    3.28605    0.75044    0.35614   
 H18698   H    3.27700    0.61356    0.57273   
 H18699   H    3.23469    0.62500    0.61442   
 H18700   H    3.25442    0.61047    0.57163   
 O18701   O    3.26723    0.60627    0.55880   
 O18702   O    3.23390    0.61434    0.59719   
 Zr18703  Zr   3.73191    0.76445    0.41514   
 Zr18704  Zr   3.77114    0.73504    0.41047   
 Zr18705  Zr   3.72839    0.58187    0.59098   
 Zr18706  Zr   3.26807    0.76446    0.41518   
 Zr18707  Zr   3.27153    0.72366    0.35929   
 Zr18708  Zr   3.22875    0.59325    0.64218   
 Zr18709  Zr   3.50032    0.78523    0.62426   
 O18710   O    3.74168    0.73956    0.40381   
 O18711   O    3.25704    0.73990    0.40535   
