data_CLNF-LIFM3_1
_audit_creation_date              2023-06-10
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P3'
_symmetry_Int_Tables_number       143
_symmetry_cell_setting            trigonal
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -y,x-y,z
  -x+y,-x,z
_cell_length_a                    81.2306
_cell_length_b                    81.2306
_cell_length_c                    4.1215
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
O1     O     0.38054   0.61902   0.56075   0.02731  Uani   1.00
O2     O     0.35788   0.62259   0.70274   0.03397  Uani   1.00
N3     N     0.37001   0.62535   0.51947   0.01949  Uani   1.00
O4     O     0.37474   0.63442   1.27244   0.02115  Uani   1.00
C5     C     0.41534   0.58306   1.11469   0.00000  Uani   1.00
C6     C     0.39517   0.57408   1.09020   0.00000  Uani   1.00
O7     O     0.28108   0.56206   0.83595   0.00000  Uani   1.00
Zn8    Zn    0.38373   0.61777   1.06457   0.00000  Uani   1.00
C9     C     0.42970   0.69960   0.92409   0.00000  Uani   1.00
C10    C     0.41091   0.68575   0.85231   0.00000  Uani   1.00
C11    C     0.40452   0.66628   0.90243   0.00000  Uani   1.00
C12    C     0.41681   0.65966   1.00791   0.00000  Uani   1.00
C13    C     0.43567   0.67400   1.08418   0.00000  Uani   1.00
C14    C     0.44187   0.69339   1.04057   0.00000  Uani   1.00
N15    N     0.41079   0.64033   1.03633   0.00000  Uani   1.00
C16    C     0.42334   0.63377   1.07418   0.00000  Uani   1.00
C17    C     0.41530   0.61341   1.11772   0.00000  Uani   1.00
C18    C     0.42543   0.60338   1.12523   0.00000  Uani   1.00
C19    C     0.38604   0.58506   1.09226   0.00000  Uani   1.00
N20    N     0.39635   0.60395   1.12012   0.00000  Uani   1.00
C21    C     0.36689   0.57820   1.04167   0.00000  Uani   1.00
N22    N     0.36109   0.59131   1.01286   0.00000  Uani   1.00
C23    C     0.34112   0.58526   0.94567   0.00000  Uani   1.00
C24    C     0.32982   0.56920   0.75104   0.00000  Uani   1.00
C25    C     0.31027   0.56240   0.70982   0.00000  Uani   1.00
C26    C     0.30121   0.57132   0.85806   0.00000  Uani   1.00
C27    C     0.31238   0.58750   1.04835   0.00000  Uani   1.00
C28    C     0.33200   0.59441   1.08597   0.00000  Uani   1.00
O29    O     0.40093   0.54543   1.41324   0.05331  Uani   1.00
C30    C     0.44641   0.55110   1.05436   0.03846  Uani   1.00
C31    C     0.41825   0.55311   1.23921   0.04099  Uani   1.00
C32    C     0.42858   0.54316   1.20851   0.04122  Uani   1.00
H33    H     0.42307   0.52913   1.31045   0.04900  Uiso   1.00
C34    C     0.39187   0.52593   1.51398   0.06584  Uani   1.00
H35    H     0.40120   0.52389   1.68677   0.07900  Uiso   1.00
H36    H     0.38892   0.51642   1.30168   0.07900  Uiso   1.00
C37    C     0.30809   0.49313   1.86075   0.08513  Uani   1.00
H38    H     0.29908   0.47787   1.92379   0.12800  Uiso   0.77
H39    H     0.30046   0.49690   1.67839   0.12800  Uiso   0.23
H40    H     0.31039   0.50177   2.08234   0.12800  Uiso   0.23
C41    C     0.37326   0.52033   1.69187   0.08411  Uani   1.00
H42    H     0.37675   0.52993   1.90009   0.10100  Uiso   1.00
H43    H     0.36722   0.50553   1.78204   0.10100  Uiso   1.00
C44    C     0.32703   0.49667   1.72356   0.06794  Uani   0.77
H45    H     0.32423   0.48843   1.49509   0.08100  Uiso   0.77
H46    H     0.33362   0.49125   1.89749   0.08100  Uiso   0.77
C47    C     0.34044   0.51792   1.65769   0.06387  Uani   0.77
H48    H     0.34407   0.52621   1.88636   0.07600  Uiso   0.77
H49    H     0.33288   0.52320   1.50190   0.07600  Uiso   0.77
C50    C     0.35860   0.52179   1.47872   0.10268  Uani   1.00
H51    H     0.35469   0.51154   1.27736   0.12400  Uiso   1.00
H52    H     0.36509   0.53639   1.37961   0.12400  Uiso   1.00
O53    O     0.47159   0.57716   0.75594   0.05331  Uani   1.00
C54    C     0.42580   0.57163   1.10243   0.03846  Uani   1.00
C55    C     0.45405   0.56955   0.92132   0.04099  Uani   1.00
C56    C     0.44361   0.57938   0.94511   0.04122  Uani   1.00
H57    H     0.44912   0.59313   0.83308   0.04900  Uiso   1.00
C58    C     0.48079   0.59657   0.65114   0.06584  Uani   1.00
H59    H     0.48375   0.60623   0.86125   0.07900  Uiso   1.00
H60    H     0.47163   0.59859   0.47425   0.07900  Uiso   1.00
C61    C     0.56412   0.62622   0.30941   0.08513  Uani   1.00
H62    H     0.56141   0.61754   0.08708   0.12800  Uiso   0.77
H63    H     0.57133   0.62189   0.49091   0.12800  Uiso   0.23
H64    H     0.57369   0.64141   0.24733   0.12800  Uiso   0.23
C65    C     0.49938   0.60176   0.47690   0.08411  Uani   1.00
H66    H     0.50593   0.61667   0.39001   0.10100  Uiso   1.00
H67    H     0.49573   0.59227   0.26629   0.10100  Uiso   1.00
C68    C     0.54551   0.62357   0.44725   0.06794  Uani   0.77
H69    H     0.53935   0.62944   0.27338   0.08100  Uiso   0.77
H70    H     0.54869   0.63189   0.67549   0.08100  Uiso   0.77
C71    C     0.53137   0.60249   0.51406   0.06387  Uani   0.77
H72    H     0.53845   0.59673   0.67072   0.07600  Uiso   0.77
H73    H     0.52743   0.59415   0.28573   0.07600  Uiso   0.77
C74    C     0.51348   0.59948   0.69215   0.10268  Uani   1.00
H75    H     0.50633   0.58485   0.79406   0.12400  Uiso   1.00
H76    H     0.51784   0.60988   0.89200   0.12400  Uiso   1.00
O77    O     0.46116   0.48016   1.25011   0.05331  Uani   1.00
C78    C     0.50803   0.48725   0.93164   0.03846  Uani   1.00
C79    C     0.47911   0.48833   1.09711   0.04099  Uani   1.00
C80    C     0.48959   0.47856   1.06568   0.04122  Uani   1.00
H81    H     0.48368   0.46412   1.15055   0.04900  Uiso   1.00
C82    C     0.45240   0.46085   1.35799   0.06584  Uani   1.00
H83    H     0.46183   0.45920   1.53449   0.07900  Uiso   1.00
H84    H     0.44956   0.45112   1.14932   0.07900  Uiso   1.00
C85    C     0.36864   0.42797   1.69494   0.08513  Uani   1.00
H86    H     0.35963   0.41268   1.75605   0.12800  Uiso   0.77
H87    H     0.36106   0.43181   1.51264   0.12800  Uiso   0.23
H88    H     0.37086   0.43650   1.91756   0.12800  Uiso   0.23
C89    C     0.43381   0.45542   1.53379   0.08411  Uani   1.00
H90    H     0.43730   0.46529   1.73908   0.10100  Uiso   1.00
H91    H     0.42775   0.44070   1.62774   0.10100  Uiso   1.00
C92    C     0.38764   0.43159   1.55910   0.06794  Uani   0.77
H93    H     0.38491   0.42335   1.33097   0.08100  Uiso   0.77
H94    H     0.39423   0.42624   1.73414   0.08100  Uiso   0.77
C95    C     0.40100   0.45286   1.49276   0.06387  Uani   0.77
H96    H     0.40452   0.46115   1.72133   0.07600  Uiso   0.77
H97    H     0.39345   0.45806   1.33517   0.07600  Uiso   0.77
C98    C     0.41925   0.45678   1.31622   0.10268  Uani   1.00
H99    H     0.41541   0.44642   1.11682   0.12400  Uiso   1.00
H100   H     0.42580   0.47137   1.21366   0.12400  Uiso   1.00
O101   O     0.53399   0.51442   0.66750   0.05331  Uani   1.00
C102   C     0.48711   0.50731   0.98528   0.03846  Uani   1.00
C103   C     0.51603   0.50622   0.81999   0.04099  Uani   1.00
C104   C     0.50554   0.51598   0.85125   0.04122  Uani   1.00
H105   H     0.51145   0.53043   0.76648   0.04900  Uiso   1.00
C106   C     0.54280   0.53377   0.56179   0.06584  Uani   1.00
H107   H     0.54560   0.54342   0.77146   0.07900  Uiso   1.00
H108   H     0.53343   0.53551   0.38516   0.07900  Uiso   1.00
C109   C     0.62656   0.56633   0.22710   0.08513  Uani   1.00
H110   H     0.62431   0.55775   0.00503   0.12800  Uiso   0.77
H111   H     0.63411   0.56248   0.41003   0.12800  Uiso   0.23
H112   H     0.63562   0.58160   0.16526   0.12800  Uiso   0.23
C113   C     0.56143   0.53922   0.38701   0.08411  Uani   1.00
H114   H     0.56754   0.55398   0.29430   0.10100  Uiso   1.00
H115   H     0.55794   0.52941   0.18100   0.10100  Uiso   1.00
C116   C     0.60758   0.56281   0.36241   0.06794  Uani   0.77
H117   H     0.60106   0.56822   0.18706   0.08100  Uiso   0.77
H118   H     0.61034   0.57107   0.59049   0.08100  Uiso   0.77
C119   C     0.59414   0.54157   0.42867   0.06387  Uani   0.77
H120   H     0.60163   0.53630   0.58650   0.07600  Uiso   0.77
H121   H     0.59058   0.53326   0.20013   0.07600  Uiso   0.77
C122   C     0.57591   0.53775   0.60479   0.10268  Uani   1.00
H123   H     0.56928   0.52315   0.70713   0.12400  Uiso   1.00
H124   H     0.57980   0.54811   0.80425   0.12400  Uiso   1.00
C125   C     0.47560   0.54737   1.15232   0.03688  Uani   1.00
C126   C     0.45687   0.53988   1.03554   0.03509  Uani   1.00
C127   C     0.44805   0.52129   0.90721   0.03787  Uani   1.00
H128   H     0.43369   0.51491   0.81377   0.04500  Uiso   1.00
C129   C     0.45770   0.51083   0.89137   0.03688  Uani   1.00
C130   C     0.47649   0.51837   1.00692   0.03509  Uani   1.00
C131   C     0.48525   0.53692   1.13675   0.03787  Uani   1.00
H132   H     0.49958   0.54331   1.23142   0.04500  Uiso   1.00
H133   H     0.48273   0.56120   1.26314   0.00000  Uiso   1.00
H134   H     0.45054   0.49693   0.78142   0.00000  Uiso   1.00
O135   O     0.52479   0.41788   1.15564   0.05331  Uani   1.00
C136   C     0.57095   0.42455   0.80443   0.03846  Uani   1.00
C137   C     0.54231   0.42584   0.98866   0.04099  Uani   1.00
C138   C     0.55315   0.41642   0.96321   0.04122  Uani   1.00
H139   H     0.54800   0.40272   1.07519   0.04900  Uiso   1.00
C140   C     0.51607   0.39851   1.26127   0.06584  Uani   1.00
H141   H     0.52548   0.39683   1.43752   0.07900  Uiso   1.00
H142   H     0.51332   0.38887   1.05151   0.07900  Uiso   1.00
C143   C     0.43235   0.36582   1.60251   0.08513  Uani   1.00
H144   H     0.42332   0.35056   1.66522   0.12800  Uiso   0.77
H145   H     0.42473   0.36964   1.42042   0.12800  Uiso   0.23
H146   H     0.43466   0.37444   1.82437   0.12800  Uiso   0.23
C147   C     0.49741   0.39285   1.43667   0.08411  Uani   1.00
H148   H     0.50083   0.40244   1.64548   0.10100  Uiso   1.00
H149   H     0.49134   0.37804   1.52606   0.10100  Uiso   1.00
C150   C     0.45128   0.36934   1.46521   0.06794  Uani   0.77
H151   H     0.44846   0.36107   1.23709   0.08100  Uiso   0.77
H152   H     0.45786   0.36393   1.63947   0.08100  Uiso   0.77
C153   C     0.46471   0.39058   1.39846   0.06387  Uani   0.77
H154   H     0.46832   0.39891   1.62683   0.07600  Uiso   0.77
H155   H     0.45718   0.39584   1.24148   0.07600  Uiso   0.77
C156   C     0.48290   0.39441   1.22088   0.10268  Uani   1.00
H157   H     0.47896   0.38407   1.02089   0.12400  Uiso   1.00
H158   H     0.48953   0.40902   1.11918   0.12400  Uiso   1.00
O159   O     0.59529   0.45104   0.49075   0.05331  Uani   1.00
C160   C     0.54951   0.44423   0.85560   0.03846  Uani   1.00
C161   C     0.57802   0.44299   0.66667   0.04099  Uani   1.00
C162   C     0.56728   0.45251   0.69882   0.04122  Uani   1.00
H163   H     0.57243   0.46648   0.59661   0.04900  Uiso   1.00
C164   C     0.60386   0.47051   0.38928   0.06584  Uani   1.00
H165   H     0.60659   0.47998   0.60130   0.07900  Uiso   1.00
H166   H     0.59428   0.47219   0.21696   0.07900  Uiso   1.00
C167   C     0.68785   0.50558   0.04099   0.08513  Uani   1.00
H168   H     0.68585   0.49705  -0.18088   0.12800  Uiso   0.77
H169   H     0.69574   0.50214   0.22345   0.12800  Uiso   0.23
H170   H     0.69646   0.52089  -0.02149   0.12800  Uiso   0.23
C171   C     0.62255   0.47660   0.21059   0.08411  Uani   1.00
H172   H     0.62821   0.49136   0.12098   0.10100  Uiso   1.00
H173   H     0.61929   0.46708   0.00186   0.10100  Uiso   1.00
C174   C     0.66868   0.50140   0.17771   0.06794  Uani   0.77
H175   H     0.66179   0.50648   0.00358   0.08100  Uiso   0.77
H176   H     0.67121   0.50956   0.40631   0.08100  Uiso   0.77
C177   C     0.65582   0.48005   0.24327   0.06387  Uani   0.77
H178   H     0.66370   0.47513   0.39859   0.07600  Uiso   0.77
H179   H     0.65242   0.47180   0.01450   0.07600  Uiso   0.77
C180   C     0.63749   0.47558   0.42272   0.10268  Uani   1.00
H181   H     0.63138   0.46099   0.52058   0.12400  Uiso   1.00
H182   H     0.64113   0.48573   0.62488   0.12400  Uiso   1.00
C183   C     0.53758   0.48398   1.02398   0.03688  Uani   1.00
C184   C     0.51873   0.47625   0.91068   0.03509  Uani   1.00
C185   C     0.51006   0.45766   0.78249   0.03787  Uani   1.00
H186   H     0.49567   0.45111   0.68986   0.04500  Uiso   1.00
C187   C     0.51990   0.44739   0.76532   0.03688  Uani   1.00
C188   C     0.53874   0.45513   0.87838   0.03509  Uani   1.00
C189   C     0.54743   0.47373   1.00605   0.03787  Uani   1.00
H190   H     0.56185   0.48029   1.09682   0.04500  Uiso   1.00
H191   H     0.54466   0.49789   1.13318   0.00000  Uiso   1.00
H192   H     0.51284   0.43351   0.65571   0.00000  Uiso   1.00
O193   O     0.63288   0.37248   0.63817   0.02731  Uani   1.00
O194   O     0.62796   0.35672   0.21975   0.03397  Uani   1.00
N195   N     0.62510   0.36750   0.37781   0.01949  Uani   1.00
O196   O     0.61628   0.37564   1.34297   0.02115  Uani   1.00
O197   O     0.55908   0.27763   0.93400   0.00000  Uani   1.00
C198   C     0.58194   0.41364   0.79320   0.00000  Uani   1.00
C199   C     0.60212   0.42313   0.81746   0.00000  Uani   1.00
Zn200  Zn    0.61506   0.38006   0.83878   0.00000  Uani   1.00
C201   C     0.56815   0.29749   0.87687   0.00000  Uani   1.00
C202   C     0.58426   0.31053   1.05133   0.00000  Uani   1.00
C203   C     0.59035   0.33007   1.04270   0.00000  Uani   1.00
C204   C     0.58155   0.33753   0.84638   0.00000  Uani   1.00
C205   C     0.56542   0.32436   0.66903   0.00000  Uani   1.00
C206   C     0.55865   0.30467   0.69025   0.00000  Uani   1.00
N207   N     0.58809   0.35791   0.84260   0.00000  Uani   1.00
C208   C     0.57547   0.36433   0.81463   0.00000  Uani   1.00
C209   C     0.58297   0.38376   0.79191   0.00000  Uani   1.00
C210   C     0.57236   0.39334   0.78082   0.00000  Uani   1.00
C211   C     0.61178   0.41267   0.81632   0.00000  Uani   1.00
N212   N     0.60200   0.39375   0.79566   0.00000  Uani   1.00
C213   C     0.63102   0.42010   0.85305   0.00000  Uani   1.00
N214   N     0.63736   0.40740   0.87231   0.00000  Uani   1.00
C215   C     0.65781   0.41435   0.91598   0.00000  Uani   1.00
C216   C     0.66923   0.43066   1.10582   0.00000  Uani   1.00
C217   C     0.68913   0.43874   1.11949   0.00000  Uani   1.00
C218   C     0.69841   0.43052   0.95558   0.00000  Uani   1.00
C219   C     0.68721   0.41394   0.77650   0.00000  Uani   1.00
C220   C     0.66744   0.40630   0.75225   0.00000  Uani   1.00
H221   H     0.38679   0.55908   1.04967   0.00000  Uiso   1.00
H222   H     0.40128   0.68983   0.74685   0.00000  Uiso   1.00
H223   H     0.39006   0.65682   0.84424   0.00000  Uiso   1.00
H224   H     0.44590   0.67065   1.18505   0.00000  Uiso   1.00
H225   H     0.45652   0.70377   1.09387   0.00000  Uiso   1.00
H226   H     0.43854   0.64265   1.04920   0.00000  Uiso   1.00
H227   H     0.44080   0.61132   1.13231   0.00000  Uiso   1.00
H228   H     0.35709   0.56307   1.02112   0.00000  Uiso   1.00
H229   H     0.33605   0.56179   0.63009   0.00000  Uiso   1.00
H230   H     0.30199   0.54980   0.56420   0.00000  Uiso   1.00
H231   H     0.30599   0.59440   1.18011   0.00000  Uiso   1.00
H232   H     0.33961   0.60647   1.23633   0.00000  Uiso   1.00
H233   H     0.61016   0.43818   0.85395   0.00000  Uiso   1.00
H234   H     0.59108   0.30548   1.21680   0.00000  Uiso   1.00
H235   H     0.60035   0.33887   1.21924   0.00000  Uiso   1.00
H236   H     0.55793   0.32921   0.51479   0.00000  Uiso   1.00
H237   H     0.54583   0.29490   0.56102   0.00000  Uiso   1.00
H238   H     0.56024   0.35476   0.81807   0.00000  Uiso   1.00
H239   H     0.55701   0.38510   0.76804   0.00000  Uiso   1.00
H240   H     0.64055   0.43533   0.86501   0.00000  Uiso   1.00
H241   H     0.66283   0.43747   1.24024   0.00000  Uiso   1.00
H242   H     0.69744   0.45172   1.25587   0.00000  Uiso   1.00
H243   H     0.69384   0.40766   0.63471   0.00000  Uiso   1.00
H244   H     0.66060   0.39516   0.58049   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O1     N3      1.210   .     S
O1     Zn8     2.101   .     S
O1     Zn8     2.070   1_554 S
O2     N3      1.170   .     D
N3     O4      1.202   1_554 S
O4     Zn8     2.021   .     S
O4     N3      1.202   1_556 S
C5     C6      1.425   .     A
C5     C18     1.430   .     A
C5     C54     1.541   .     S
C6     C19     1.416   .     A
C6     H221    1.071   .     S
O7     C26     1.420   .     S
O7     C9      1.419   3_565 S
Zn8    N20     1.875   .     S
Zn8    N15     2.044   .     S
Zn8    N22     2.023   .     S
Zn8    O1      2.070   1_556 S
C9     C10     1.402   .     A
C9     C14     1.400   .     A
C9     O7      1.419   2_665 S
C10    C11     1.412   .     A
C10    H222    1.082   .     S
C11    C12     1.418   .     A
C11    H223    1.061   .     S
C12    C13     1.420   .     A
C12    N15     1.397   .     A
C13    C14     1.405   .     A
C13    H224    1.078   .     S
C14    H225    1.083   .     S
N15    C16     1.375   .     A
C16    C17     1.454   .     S
C16    H226    1.080   .     S
C17    C18     1.419   .     A
C17    N20     1.333   .     A
C18    H227    1.082   .     S
C19    N20     1.336   .     A
C19    C21     1.381   .     A
C21    N22     1.369   .     A
C21    H228    1.083   .     S
N22    C23     1.467   .     S
C23    C24     1.410   .     A
C23    C28     1.409   .     A
C24    C25     1.406   .     A
C24    H229    1.082   .     S
C25    C26     1.405   .     A
C25    H230    1.083   .     S
C26    C27     1.404   .     A
C27    C28     1.409   .     A
C27    H231    1.081   .     S
C28    H232    1.059   .     S
O29    C31     1.416   .     S
O29    C34     1.435   .     S
C30    C32     1.408   .     A
C30    C55     1.415   .     A
C30    C126    1.528   .     S
C31    C32     1.432   .     A
C31    C54     1.426   .     A
C32    H33     1.080   .     S
C34    H35     1.111   .     S
C34    H36     1.111   .     S
C34    C41     1.530   .     S
C37    H38     1.110   .     S
C37    H39     1.111   .     S
C37    H40     1.109   .     S
C37    C44     1.526   .     S
C41    H42     1.097   .     S
C41    H43     1.111   .     S
C41    C50     1.531   .     S
C44    H45     1.111   .     S
C44    H46     1.109   .     S
C44    C47     1.536   .     S
C47    H48     1.109   .     S
C47    H49     1.112   .     S
C47    C50     1.535   .     S
C50    H51     1.104   .     S
C50    H52     1.107   .     S
O53    C55     1.413   .     S
O53    C58     1.433   .     S
C54    C56     1.414   .     A
C55    C56     1.429   .     A
C56    H57     1.077   .     S
C58    H59     1.111   .     S
C58    H60     1.111   .     S
C58    C65     1.529   .     S
C61    H62     1.109   .     S
C61    H63     1.110   .     S
C61    H64     1.110   .     S
C61    C68     1.526   .     S
C65    H66     1.111   .     S
C65    H67     1.098   .     S
C65    C74     1.532   .     S
C68    H69     1.109   .     S
C68    H70     1.111   .     S
C68    C71     1.536   .     S
C71    H72     1.112   .     S
C71    H73     1.109   .     S
C71    C74     1.535   .     S
C74    H75     1.111   .     S
C74    H76     1.104   .     S
O77    C79     1.413   .     S
O77    C82     1.431   .     S
C78    C80     1.410   .     A
C78    C103    1.417   .     A
C78    C184    1.529   .     S
C79    C80     1.431   .     A
C79    C102    1.417   .     A
C80    H81     1.080   .     S
C82    H83     1.112   .     S
C82    H84     1.111   .     S
C82    C89     1.528   .     S
C85    H86     1.110   .     S
C85    H87     1.110   .     S
C85    H88     1.109   .     S
C85    C92     1.526   .     S
C89    H90     1.101   .     S
C89    H91     1.111   .     S
C89    C98     1.531   .     S
C92    H93     1.111   .     S
C92    H94     1.109   .     S
C92    C95     1.537   .     S
C95    H96     1.109   .     S
C95    H97     1.112   .     S
C95    C98     1.535   .     S
C98    H99     1.104   .     S
C98    H100    1.112   .     S
O101   C103    1.412   .     S
O101   C106    1.431   .     S
C102   C104    1.410   .     A
C102   C130    1.529   .     S
C103   C104    1.430   .     A
C104   H105    1.080   .     S
C106   H107    1.111   .     S
C106   H108    1.112   .     S
C106   C113    1.528   .     S
C109   H110    1.109   .     S
C109   H111    1.110   .     S
C109   H112    1.110   .     S
C109   C116    1.526   .     S
C113   H114    1.111   .     S
C113   H115    1.100   .     S
C113   C122    1.531   .     S
C116   H117    1.109   .     S
C116   H118    1.111   .     S
C116   C119    1.536   .     S
C119   H120    1.112   .     S
C119   H121    1.109   .     S
C119   C122    1.535   .     S
C122   H123    1.111   .     S
C122   H124    1.104   .     S
C125   C126    1.411   .     A
C125   C131    1.415   .     A
C125   H133    1.075   .     S
C126   C127    1.411   .     A
C127   H128    1.083   .     S
C127   C129    1.417   .     A
C129   C130    1.413   .     A
C129   H134    1.078   .     S
C130   C131    1.411   .     A
C131   H132    1.083   .     S
O135   C137    1.413   .     S
O135   C140    1.433   .     S
C136   C138    1.415   .     A
C136   C161    1.426   .     A
C136   C198    1.541   .     S
C137   C138    1.430   .     A
C137   C160    1.415   .     A
C138   H139    1.078   .     S
C140   H141    1.111   .     S
C140   H142    1.111   .     S
C140   C147    1.528   .     S
C143   H144    1.110   .     S
C143   H145    1.110   .     S
C143   H146    1.109   .     S
C143   C150    1.526   .     S
C147   H148    1.099   .     S
C147   H149    1.111   .     S
C147   C156    1.531   .     S
C150   H151    1.111   .     S
C150   H152    1.109   .     S
C150   C153    1.537   .     S
C153   H154    1.109   .     S
C153   H155    1.112   .     S
C153   C156    1.535   .     S
C156   H157    1.104   .     S
C156   H158    1.111   .     S
O159   C161    1.416   .     S
O159   C164    1.435   .     S
C160   C162    1.408   .     A
C160   C188    1.528   .     S
C161   C162    1.432   .     A
C162   H163    1.080   .     S
C164   H165    1.111   .     S
C164   H166    1.111   .     S
C164   C171    1.530   .     S
C167   H168    1.109   .     S
C167   H169    1.111   .     S
C167   H170    1.110   .     S
C167   C174    1.526   .     S
C171   H172    1.111   .     S
C171   H173    1.097   .     S
C171   C180    1.531   .     S
C174   H175    1.109   .     S
C174   H176    1.111   .     S
C174   C177    1.536   .     S
C177   H178    1.112   .     S
C177   H179    1.109   .     S
C177   C180    1.535   .     S
C180   H181    1.107   .     S
C180   H182    1.103   .     S
C183   C184    1.413   .     A
C183   C189    1.416   .     A
C183   H191    1.077   .     S
C184   C185    1.411   .     A
C185   H186    1.083   .     S
C185   C187    1.416   .     A
C187   C188    1.412   .     A
C187   H192    1.076   .     S
C188   C189    1.411   .     A
C189   H190    1.083   .     S
O193   N195    1.208   .     S
O193   Zn200   2.012   .     S
O194   N195    1.204   .     D
N195   O196    1.201   1_554 S
O196   Zn200   2.120   .     S
O196   N195    1.201   1_556 S
O196   Zn200   2.086   1_556 S
O197   C201    1.419   .     S
O197   C218    1.420   2_655 S
C198   C199    1.424   .     A
C198   C210    1.430   .     A
C199   C211    1.416   .     A
C199   H233    1.070   .     S
Zn200  N212    1.891   .     S
Zn200  N207    2.024   .     S
Zn200  N214    2.052   .     S
Zn200  O196    2.086   1_554 S
C201   C202    1.402   .     A
C201   C206    1.406   .     A
C202   C203    1.407   .     A
C202   H234    1.080   .     S
C203   C204    1.402   .     A
C203   H235    1.058   .     S
C204   C205    1.412   .     A
C204   N207    1.465   .     S
C205   C206    1.410   .     A
C205   H236    1.082   .     S
C206   H237    1.082   .     S
N207   C208    1.368   .     A
C208   C209    1.382   .     A
C208   H238    1.083   .     S
C209   C210    1.421   .     A
C209   N212    1.339   .     A
C210   H239    1.082   .     S
C211   N212    1.334   .     A
C211   C213    1.374   .     A
C213   N214    1.367   .     A
C213   H240    1.083   .     S
N214   C215    1.474   .     S
C215   C216    1.414   .     A
C215   C220    1.416   .     A
C216   C217    1.409   .     A
C216   H241    1.082   .     S
C217   C218    1.405   .     A
C217   H242    1.083   .     S
C218   C219    1.400   .     A
C218   O197    1.420   3_665 S
C219   C220    1.406   .     A
C219   H243    1.080   .     S
C220   H244    1.061   .     S
