data_MOF_OPT-pos-1
_audit_creation_date              2025-03-20
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    21.9470
_cell_length_b                    21.9470
_cell_length_c                    19.6457
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
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     0.18662   0.39048   0.08031   0.00000  Uiso   1.00
Cu2    Cu    0.10434   0.38996   0.10842   0.00000  Uiso   1.00
Cu3    Cu    0.10818   0.39205   0.43604   0.00000  Uiso   1.00
C4     C     0.49256   0.39188   0.02394   0.00000  Uiso   1.00
C5     C     0.42076   0.39176   0.02422   0.00000  Uiso   1.00
C6     C     0.21430   0.39056   0.02367   0.00000  Uiso   1.00
C7     C     0.28571   0.39096   0.02410   0.00000  Uiso   1.00
C8     C     0.81945   0.39332   0.45985   0.00000  Uiso   1.00
C9     C     0.88397   0.39320   0.45968   0.00000  Uiso   1.00
O10    O     0.10725   0.30936   0.46414   0.00000  Uiso   1.00
O11    O     0.10370   0.30727   0.07951   0.00000  Uiso   1.00
C12    C     0.10320   0.00683   0.02287   0.00000  Uiso   1.00
C13    C     0.60225   0.20965   0.02379   0.00000  Uiso   1.00
C14    C     0.60077   0.07479   0.02365   0.00000  Uiso   1.00
C15    C     0.10363   0.11015   0.45928   0.00000  Uiso   1.00
C16    C     0.10481   0.17476   0.45933   0.00000  Uiso   1.00
C17    C     0.10349   0.27916   0.02309   0.00000  Uiso   1.00
O18    O     0.10324   0.47294   0.07997   0.00000  Uiso   1.00
O19    O     0.02103   0.38981   0.08145   0.00000  Uiso   1.00
O20    O     0.10697   0.47559   0.46318   0.00000  Uiso   1.00
O21    O     0.02501   0.39279   0.46383   0.00000  Uiso   1.00
O22    O     0.19037   0.39238   0.46608   0.00000  Uiso   1.00
N23    N     0.10998   0.39061   0.33627   0.00000  Uiso   1.00
N24    N     0.10750   0.38985   0.20817   0.00000  Uiso   1.00
C25    C     0.15879   0.34958   0.31087   0.00000  Uiso   1.00
C26    C     0.15734   0.34921   0.23209   0.00000  Uiso   1.00
C27    C     0.12057   0.45342   0.31082   0.00000  Uiso   1.00
C28    C     0.11878   0.45297   0.23227   0.00000  Uiso   1.00
C29    C     0.04970   0.36816   0.31291   0.00000  Uiso   1.00
C30    C     0.04815   0.36771   0.23448   0.00000  Uiso   1.00
H31    H     0.10514   0.19871   0.40993   0.00000  Uiso   1.00
H32    H     0.79538   0.39244   0.41057   0.00000  Uiso   1.00
C33    C     0.38543   0.39174   0.08552   0.00000  Uiso   1.00
H34    H     0.40911   0.39186   0.13511   0.00000  Uiso   1.00
C35    C     0.32075   0.39132   0.08548   0.00000  Uiso   1.00
H36    H     0.29665   0.39119   0.13483   0.00000  Uiso   1.00
C37    C     0.60190   0.17444   0.08503   0.00000  Uiso   1.00
H38    H     0.60218   0.19836   0.13443   0.00000  Uiso   1.00
C39    C     0.60125   0.10987   0.08497   0.00000  Uiso   1.00
H40    H     0.60113   0.08592   0.13436   0.00000  Uiso   1.00
H41    H     0.90784   0.39237   0.41025   0.00000  Uiso   1.00
H42    H     0.15178   0.30294   0.33114   0.00000  Uiso   1.00
H43    H     0.20372   0.36559   0.32954   0.00000  Uiso   1.00
H44    H     0.20152   0.36523   0.21132   0.00000  Uiso   1.00
H45    H     0.14980   0.30242   0.21249   0.00000  Uiso   1.00
H46    H     0.16526   0.47002   0.32955   0.00000  Uiso   1.00
H47    H     0.08508   0.48432   0.33127   0.00000  Uiso   1.00
H48    H     0.08213   0.48339   0.21356   0.00000  Uiso   1.00
H49    H     0.16240   0.46970   0.21080   0.00000  Uiso   1.00
H50    H     0.01339   0.39822   0.33303   0.00000  Uiso   1.00
H51    H     0.04186   0.32185   0.33359   0.00000  Uiso   1.00
H52    H     0.03948   0.32117   0.21485   0.00000  Uiso   1.00
H53    H     0.50775   0.36985   0.21407   0.00000  Uiso   1.00
H54    H     0.10328   0.08618   0.40989   0.00000  Uiso   1.00
O55    O     0.68728   0.39034   0.08209   0.00000  Uiso   1.00
Cu56   Cu    0.60363   0.39095   0.10882   0.00000  Uiso   1.00
Cu57   Cu    0.60232   0.39189   0.43682   0.00000  Uiso   1.00
C58    C     0.98686   0.38936   0.02459   0.00000  Uiso   1.00
C59    C     0.91344   0.38895   0.02418   0.00000  Uiso   1.00
C60    C     0.71461   0.39006   0.02519   0.00000  Uiso   1.00
C61    C     0.78737   0.38906   0.02434   0.00000  Uiso   1.00
C62    C     0.81427   0.44554   0.06049   0.00000  Uiso   1.00
C63    C     0.88633   0.44609   0.06023   0.00000  Uiso   1.00
H64    H     0.90269   0.48780   0.03364   0.00000  Uiso   1.00
O65    O     0.60351   0.30897   0.46432   0.00000  Uiso   1.00
O66    O     0.60304   0.30839   0.08085   0.00000  Uiso   1.00
C67    C     0.59978   0.00342   0.02368   0.00000  Uiso   1.00
C68    C     0.10315   0.20543   0.02372   0.00000  Uiso   1.00
C69    C     0.54801   0.18118   0.48449   0.00000  Uiso   1.00
C70    C     0.54775   0.10910   0.48469   0.00000  Uiso   1.00
C71    C     0.10273   0.07924   0.02386   0.00000  Uiso   1.00
C72    C     0.66014   0.10805   0.48562   0.00000  Uiso   1.00
C73    C     0.66139   0.18026   0.48555   0.00000  Uiso   1.00
C74    C     0.60287   0.28109   0.02398   0.00000  Uiso   1.00
O75    O     0.60398   0.47366   0.08004   0.00000  Uiso   1.00
O76    O     0.52039   0.39164   0.08064   0.00000  Uiso   1.00
O77    O     0.60204   0.47469   0.46429   0.00000  Uiso   1.00
O78    O     0.51934   0.39145   0.46637   0.00000  Uiso   1.00
O79    O     0.68536   0.39297   0.46473   0.00000  Uiso   1.00
C80    C     0.38977   0.39086   0.44858   0.00000  Uiso   1.00
C81    C     0.31773   0.39064   0.44883   0.00000  Uiso   1.00
H82    H     0.30105   0.34953   0.42158   0.00000  Uiso   1.00
N83    N     0.60240   0.39229   0.33687   0.00000  Uiso   1.00
N84    N     0.60240   0.39121   0.20873   0.00000  Uiso   1.00
C85    C     0.66151   0.36777   0.31232   0.00000  Uiso   1.00
C86    C     0.66143   0.36693   0.23377   0.00000  Uiso   1.00
C87    C     0.59404   0.45546   0.31151   0.00000  Uiso   1.00
C88    C     0.59388   0.45477   0.23285   0.00000  Uiso   1.00
C89    C     0.55163   0.35319   0.31255   0.00000  Uiso   1.00
C90    C     0.55171   0.35244   0.23389   0.00000  Uiso   1.00
H91    H     0.20202   0.19395   0.01356   0.00000  Uiso   1.00
H92    H     0.40594   0.43147   0.41985   0.00000  Uiso   1.00
H93    H     0.79781   0.44684   0.11419   0.00000  Uiso   1.00
C94    C     0.88636   0.33263   0.06197   0.00000  Uiso   1.00
H95    H     0.90299   0.33190   0.11575   0.00000  Uiso   1.00
C96    C     0.81416   0.33304   0.06180   0.00000  Uiso   1.00
H97    H     0.79749   0.33217   0.11543   0.00000  Uiso   1.00
H98    H     0.79742   0.29090   0.03671   0.00000  Uiso   1.00
C99    C     0.10259   0.17809   0.09734   0.00000  Uiso   1.00
H100   H     0.06185   0.19498   0.12532   0.00000  Uiso   1.00
H101   H     0.14335   0.19418   0.12589   0.00000  Uiso   1.00
C102   C     0.10202   0.10610   0.09692   0.00000  Uiso   1.00
H103   H     0.06081   0.08974   0.12423   0.00000  Uiso   1.00
H104   H     0.14210   0.08897   0.12566   0.00000  Uiso   1.00
H105   H     0.90314   0.44810   0.11388   0.00000  Uiso   1.00
H106   H     0.54736   0.19773   0.43068   0.00000  Uiso   1.00
H107   H     0.54694   0.09241   0.43106   0.00000  Uiso   1.00
H108   H     0.66137   0.09135   0.43200   0.00000  Uiso   1.00
H109   H     0.40632   0.34995   0.42066   0.00000  Uiso   1.00
H110   H     0.30069   0.43070   0.41998   0.00000  Uiso   1.00
H111   H     0.79719   0.48721   0.03468   0.00000  Uiso   1.00
H112   H     0.66860   0.32133   0.33301   0.00000  Uiso   1.00
H113   H     0.69918   0.39681   0.33125   0.00000  Uiso   1.00
H114   H     0.69929   0.39511   0.21373   0.00000  Uiso   1.00
H115   H     0.66796   0.31995   0.21437   0.00000  Uiso   1.00
H116   H     0.63146   0.48466   0.33077   0.00000  Uiso   1.00
H117   H     0.55066   0.47433   0.33132   0.00000  Uiso   1.00
H118   H     0.55027   0.47297   0.21286   0.00000  Uiso   1.00
H119   H     0.63095   0.48380   0.21251   0.00000  Uiso   1.00
H120   H     0.50780   0.37123   0.33201   0.00000  Uiso   1.00
H121   H     0.55726   0.30656   0.33326   0.00000  Uiso   1.00
H122   H     0.55749   0.30536   0.21451   0.00000  Uiso   1.00
H123   H     0.01109   0.39757   0.21570   0.00000  Uiso   1.00
H124   H     0.00437   0.19488   0.01178   0.00000  Uiso   1.00
H125   H     0.00470   0.08931   0.01180   0.00000  Uiso   1.00
H126   H     0.20087   0.08854   0.01321   0.00000  Uiso   1.00
H127   H     0.66364   0.19687   0.43182   0.00000  Uiso   1.00
O128   O     0.18851   0.89047   0.08036   0.00000  Uiso   1.00
Cu129  Cu    0.10494   0.88918   0.10796   0.00000  Uiso   1.00
Cu130  Cu    0.10221   0.88629   0.43562   0.00000  Uiso   1.00
C131   C     0.48842   0.88750   0.02399   0.00000  Uiso   1.00
C132   C     0.91557   0.88884   0.02380   0.00000  Uiso   1.00
C133   C     0.21573   0.89099   0.02340   0.00000  Uiso   1.00
C134   C     0.78077   0.88690   0.02422   0.00000  Uiso   1.00
C135   C     0.31974   0.88782   0.46000   0.00000  Uiso   1.00
C136   C     0.38433   0.88918   0.46011   0.00000  Uiso   1.00
O137   O     0.10097   0.80314   0.46282   0.00000  Uiso   1.00
O138   O     0.10483   0.80656   0.08015   0.00000  Uiso   1.00
C139   C     0.10299   0.50057   0.02335   0.00000  Uiso   1.00
C140   C     0.10396   0.70742   0.02315   0.00000  Uiso   1.00
C141   C     0.10287   0.57223   0.02314   0.00000  Uiso   1.00
C142   C     0.60283   0.60890   0.45940   0.00000  Uiso   1.00
C143   C     0.60304   0.67355   0.45943   0.00000  Uiso   1.00
C144   C     0.10442   0.77903   0.02329   0.00000  Uiso   1.00
O145   O     0.10385   0.97191   0.07910   0.00000  Uiso   1.00
O146   O     0.02189   0.88953   0.07979   0.00000  Uiso   1.00
O147   O     0.10233   0.96907   0.46378   0.00000  Uiso   1.00
O148   O     0.01946   0.88738   0.46455   0.00000  Uiso   1.00
O149   O     0.18520   0.88621   0.46421   0.00000  Uiso   1.00
N150   N     0.10251   0.88783   0.33574   0.00000  Uiso   1.00
N151   N     0.10362   0.88937   0.20764   0.00000  Uiso   1.00
C152   C     0.15183   0.84723   0.31091   0.00000  Uiso   1.00
C153   C     0.15262   0.84825   0.23231   0.00000  Uiso   1.00
C154   C     0.11343   0.95115   0.31190   0.00000  Uiso   1.00
C155   C     0.11416   0.95208   0.23321   0.00000  Uiso   1.00
C156   C     0.04275   0.86598   0.31013   0.00000  Uiso   1.00
C157   C     0.04339   0.86706   0.23147   0.00000  Uiso   1.00
H158   H     0.60315   0.69744   0.40998   0.00000  Uiso   1.00
H159   H     0.29582   0.88695   0.41059   0.00000  Uiso   1.00
C160   C     0.88056   0.88881   0.08522   0.00000  Uiso   1.00
H161   H     0.90453   0.88949   0.13459   0.00000  Uiso   1.00
C162   C     0.81600   0.88790   0.08539   0.00000  Uiso   1.00
H163   H     0.79203   0.88813   0.13477   0.00000  Uiso   1.00
C164   C     0.10355   0.67214   0.08435   0.00000  Uiso   1.00
H165   H     0.10357   0.69612   0.13373   0.00000  Uiso   1.00
C166   C     0.10295   0.60750   0.08437   0.00000  Uiso   1.00
H167   H     0.10247   0.58359   0.13379   0.00000  Uiso   1.00
H168   H     0.40833   0.88905   0.41075   0.00000  Uiso   1.00
H169   H     0.14412   0.80031   0.32988   0.00000  Uiso   1.00
H170   H     0.19618   0.86293   0.33136   0.00000  Uiso   1.00
H171   H     0.19733   0.86452   0.21342   0.00000  Uiso   1.00
H172   H     0.14533   0.80187   0.21155   0.00000  Uiso   1.00
H173   H     0.15732   0.96783   0.33266   0.00000  Uiso   1.00
H174   H     0.07700   0.98148   0.33143   0.00000  Uiso   1.00
H175   H     0.07816   0.98282   0.21354   0.00000  Uiso   1.00
H176   H     0.15841   0.96917   0.21382   0.00000  Uiso   1.00
H177   H     0.00591   0.89566   0.32988   0.00000  Uiso   1.00
H178   H     0.03415   0.81928   0.32936   0.00000  Uiso   1.00
H179   H     0.03485   0.82101   0.21041   0.00000  Uiso   1.00
H180   H     0.50493   0.86610   0.21562   0.00000  Uiso   1.00
H181   H     0.60278   0.58491   0.41000   0.00000  Uiso   1.00
O182   O     0.68162   0.88635   0.08066   0.00000  Uiso   1.00
Cu183  Cu    0.59887   0.88611   0.10862   0.00000  Uiso   1.00
Cu184  Cu    0.60151   0.89175   0.43659   0.00000  Uiso   1.00
C185   C     0.98705   0.88953   0.02336   0.00000  Uiso   1.00
C186   C     0.41493   0.88880   0.02342   0.00000  Uiso   1.00
C187   C     0.70952   0.88631   0.02405   0.00000  Uiso   1.00
C188   C     0.28855   0.89075   0.02291   0.00000  Uiso   1.00
C189   C     0.31620   0.94688   0.05935   0.00000  Uiso   1.00
C190   C     0.38840   0.94620   0.05970   0.00000  Uiso   1.00
H191   H     0.40574   0.98780   0.03368   0.00000  Uiso   1.00
O192   O     0.60216   0.80858   0.46460   0.00000  Uiso   1.00
O193   O     0.59906   0.80318   0.08005   0.00000  Uiso   1.00
C194   C     0.60410   0.50183   0.02384   0.00000  Uiso   1.00
C195   C     0.60099   0.70092   0.02420   0.00000  Uiso   1.00
C196   C     0.04552   0.67306   0.48272   0.00000  Uiso   1.00
C197   C     0.04793   0.60088   0.48290   0.00000  Uiso   1.00
C198   C     0.60353   0.57447   0.02448   0.00000  Uiso   1.00
C199   C     0.16026   0.60360   0.48418   0.00000  Uiso   1.00
C200   C     0.15889   0.67569   0.48394   0.00000  Uiso   1.00
C201   C     0.59964   0.77487   0.02361   0.00000  Uiso   1.00
O202   O     0.59928   0.96890   0.08027   0.00000  Uiso   1.00
O203   O     0.51583   0.88709   0.08108   0.00000  Uiso   1.00
O204   O     0.60212   0.97527   0.46424   0.00000  Uiso   1.00
O205   O     0.51866   0.89195   0.46451   0.00000  Uiso   1.00
O206   O     0.68425   0.89215   0.46525   0.00000  Uiso   1.00
C207   C     0.88351   0.88921   0.44699   0.00000  Uiso   1.00
C208   C     0.81156   0.89054   0.44754   0.00000  Uiso   1.00
H209   H     0.79397   0.85008   0.41984   0.00000  Uiso   1.00
N210   N     0.60089   0.89062   0.33683   0.00000  Uiso   1.00
N211   N     0.59944   0.88754   0.20873   0.00000  Uiso   1.00
C212   C     0.65980   0.86584   0.31205   0.00000  Uiso   1.00
C213   C     0.65880   0.86370   0.23351   0.00000  Uiso   1.00
C214   C     0.59215   0.95339   0.31055   0.00000  Uiso   1.00
C215   C     0.59118   0.95147   0.23197   0.00000  Uiso   1.00
C216   C     0.54997   0.85109   0.31386   0.00000  Uiso   1.00
C217   C     0.54911   0.84907   0.23528   0.00000  Uiso   1.00
H218   H     0.70009   0.69180   0.01364   0.00000  Uiso   1.00
H219   H     0.90071   0.92942   0.41828   0.00000  Uiso   1.00
H220   H     0.29942   0.94866   0.11291   0.00000  Uiso   1.00
C221   C     0.38667   0.83285   0.06074   0.00000  Uiso   1.00
H222   H     0.40331   0.83150   0.11451   0.00000  Uiso   1.00
H223   H     0.40249   0.79030   0.03545   0.00000  Uiso   1.00
C224   C     0.31462   0.83454   0.06061   0.00000  Uiso   1.00
H225   H     0.29795   0.83443   0.11428   0.00000  Uiso   1.00
H226   H     0.29698   0.79266   0.03580   0.00000  Uiso   1.00
C227   C     0.60109   0.67348   0.09778   0.00000  Uiso   1.00
H228   H     0.55974   0.68893   0.12570   0.00000  Uiso   1.00
H229   H     0.64122   0.69096   0.12642   0.00000  Uiso   1.00
C230   C     0.60281   0.60146   0.09745   0.00000  Uiso   1.00
H231   H     0.56262   0.58366   0.12547   0.00000  Uiso   1.00
H232   H     0.64389   0.58569   0.12545   0.00000  Uiso   1.00
H233   H     0.40495   0.94780   0.11349   0.00000  Uiso   1.00
H234   H     0.04393   0.68964   0.42895   0.00000  Uiso   1.00
H235   H     0.04786   0.58416   0.42924   0.00000  Uiso   1.00
H236   H     0.16212   0.58694   0.43056   0.00000  Uiso   1.00
H237   H     0.89913   0.84793   0.41906   0.00000  Uiso   1.00
H238   H     0.79551   0.93137   0.41929   0.00000  Uiso   1.00
H239   H     0.30008   0.98890   0.03346   0.00000  Uiso   1.00
H240   H     0.66706   0.81972   0.33361   0.00000  Uiso   1.00
H241   H     0.69764   0.89511   0.33009   0.00000  Uiso   1.00
H242   H     0.69637   0.89171   0.21250   0.00000  Uiso   1.00
H243   H     0.66524   0.81644   0.21496   0.00000  Uiso   1.00
H244   H     0.62964   0.98297   0.32893   0.00000  Uiso   1.00
H245   H     0.54891   0.97239   0.33061   0.00000  Uiso   1.00
H246   H     0.54741   0.96948   0.21220   0.00000  Uiso   1.00
H247   H     0.62818   0.98014   0.21080   0.00000  Uiso   1.00
H248   H     0.50626   0.86931   0.33347   0.00000  Uiso   1.00
H249   H     0.55586   0.80478   0.33535   0.00000  Uiso   1.00
H250   H     0.55485   0.80173   0.21669   0.00000  Uiso   1.00
H251   H     0.00697   0.89752   0.21226   0.00000  Uiso   1.00
H252   H     0.50247   0.68768   0.01233   0.00000  Uiso   1.00
H253   H     0.50549   0.58216   0.01182   0.00000  Uiso   1.00
H254   H     0.70157   0.58616   0.01374   0.00000  Uiso   1.00
H255   H     0.16032   0.69222   0.43014   0.00000  Uiso   1.00
O256   O     0.19108   0.39226   0.57937   0.00000  Uiso   1.00
Cu257  Cu    0.10780   0.39195   0.60582   0.00000  Uiso   1.00
Cu258  Cu    0.10374   0.38979   0.93394   0.00000  Uiso   1.00
C259   C     0.49129   0.39158   0.52282   0.00000  Uiso   1.00
C260   C     0.91923   0.39372   0.52082   0.00000  Uiso   1.00
C261   C     0.21829   0.39207   0.52231   0.00000  Uiso   1.00
C262   C     0.78450   0.39405   0.52126   0.00000  Uiso   1.00
C263   C     0.32088   0.39101   0.95822   0.00000  Uiso   1.00
C264   C     0.38547   0.39138   0.95824   0.00000  Uiso   1.00
O265   O     0.10352   0.30661   0.96145   0.00000  Uiso   1.00
O266   O     0.10698   0.30914   0.57744   0.00000  Uiso   1.00
C267   C     0.10222   0.00348   0.52056   0.00000  Uiso   1.00
C268   C     0.10547   0.20993   0.52062   0.00000  Uiso   1.00
C269   C     0.10296   0.07495   0.52052   0.00000  Uiso   1.00
C270   C     0.60139   0.10997   0.95772   0.00000  Uiso   1.00
C271   C     0.60204   0.17458   0.95778   0.00000  Uiso   1.00
C272   C     0.10671   0.28144   0.52088   0.00000  Uiso   1.00
O273   O     0.10688   0.47489   0.57651   0.00000  Uiso   1.00
O274   O     0.02502   0.39276   0.57724   0.00000  Uiso   1.00
O275   O     0.10304   0.47279   0.96191   0.00000  Uiso   1.00
O276   O     0.02137   0.38957   0.96336   0.00000  Uiso   1.00
O277   O     0.18656   0.39033   0.96237   0.00000  Uiso   1.00
N278   N     0.10387   0.39073   0.83387   0.00000  Uiso   1.00
N279   N     0.10642   0.39189   0.70564   0.00000  Uiso   1.00
C280   C     0.15336   0.34991   0.80973   0.00000  Uiso   1.00
C281   C     0.15508   0.35078   0.73117   0.00000  Uiso   1.00
C282   C     0.11502   0.45398   0.80987   0.00000  Uiso   1.00
C283   C     0.11695   0.45463   0.73124   0.00000  Uiso   1.00
C284   C     0.04439   0.36890   0.80755   0.00000  Uiso   1.00
C285   C     0.04591   0.36977   0.72889   0.00000  Uiso   1.00
H286   H     0.60242   0.19861   0.90845   0.00000  Uiso   1.00
H287   H     0.29675   0.39057   0.90894   0.00000  Uiso   1.00
C288   C     0.88430   0.39475   0.58223   0.00000  Uiso   1.00
H289   H     0.90840   0.39522   0.63152   0.00000  Uiso   1.00
C290   C     0.81974   0.39492   0.58247   0.00000  Uiso   1.00
H291   H     0.79599   0.39539   0.63197   0.00000  Uiso   1.00
C292   C     0.10458   0.17467   0.58189   0.00000  Uiso   1.00
H293   H     0.10470   0.19860   0.63128   0.00000  Uiso   1.00
C294   C     0.10341   0.11010   0.58183   0.00000  Uiso   1.00
H295   H     0.10289   0.08605   0.63116   0.00000  Uiso   1.00
H296   H     0.40924   0.39108   0.90874   0.00000  Uiso   1.00
H297   H     0.14521   0.30304   0.82869   0.00000  Uiso   1.00
H298   H     0.19751   0.36540   0.83093   0.00000  Uiso   1.00
H299   H     0.20006   0.36699   0.71299   0.00000  Uiso   1.00
H300   H     0.14809   0.30436   0.71038   0.00000  Uiso   1.00
H301   H     0.15849   0.47091   0.83150   0.00000  Uiso   1.00
H302   H     0.07816   0.48424   0.82850   0.00000  Uiso   1.00
H303   H     0.08151   0.48554   0.71065   0.00000  Uiso   1.00
H304   H     0.16164   0.47132   0.71265   0.00000  Uiso   1.00
H305   H     0.00736   0.39869   0.82665   0.00000  Uiso   1.00
H306   H     0.03547   0.32225   0.82676   0.00000  Uiso   1.00
H307   H     0.03756   0.32368   0.70778   0.00000  Uiso   1.00
H308   H     0.51153   0.37046   0.71213   0.00000  Uiso   1.00
H309   H     0.60136   0.08608   0.90827   0.00000  Uiso   1.00
O310   O     0.68560   0.39338   0.57798   0.00000  Uiso   1.00
Cu311  Cu    0.60298   0.39232   0.60649   0.00000  Uiso   1.00
Cu312  Cu    0.60400   0.39177   0.93487   0.00000  Uiso   1.00
C313   C     0.99056   0.39299   0.52055   0.00000  Uiso   1.00
C314   C     0.41714   0.39151   0.52226   0.00000  Uiso   1.00
C315   C     0.71313   0.39342   0.52128   0.00000  Uiso   1.00
C316   C     0.29074   0.39162   0.52177   0.00000  Uiso   1.00
C317   C     0.31732   0.44809   0.55806   0.00000  Uiso   1.00
C318   C     0.38948   0.44866   0.55823   0.00000  Uiso   1.00
H319   H     0.40561   0.49052   0.53181   0.00000  Uiso   1.00
O320   O     0.60315   0.30905   0.96278   0.00000  Uiso   1.00
O321   O     0.60368   0.30978   0.57766   0.00000  Uiso   1.00
C322   C     0.60260   0.00906   0.52126   0.00000  Uiso   1.00
C323   C     0.60457   0.20808   0.52190   0.00000  Uiso   1.00
C324   C     0.04658   0.17823   0.98170   0.00000  Uiso   1.00
C325   C     0.04678   0.10608   0.98190   0.00000  Uiso   1.00
C326   C     0.60344   0.08177   0.52213   0.00000  Uiso   1.00
C327   C     0.15923   0.10578   0.98277   0.00000  Uiso   1.00
C328   C     0.16004   0.17784   0.98271   0.00000  Uiso   1.00
C329   C     0.60413   0.28163   0.52145   0.00000  Uiso   1.00
O330   O     0.60231   0.47499   0.57770   0.00000  Uiso   1.00
O331   O     0.51897   0.39195   0.57980   0.00000  Uiso   1.00
O332   O     0.60407   0.47496   0.96200   0.00000  Uiso   1.00
O333   O     0.52032   0.39230   0.96254   0.00000  Uiso   1.00
O334   O     0.68651   0.39092   0.96430   0.00000  Uiso   1.00
C335   C     0.88615   0.38805   0.94596   0.00000  Uiso   1.00
C336   C     0.81419   0.38804   0.94655   0.00000  Uiso   1.00
H337   H     0.79747   0.34698   0.91928   0.00000  Uiso   1.00
N338   N     0.60604   0.39172   0.83484   0.00000  Uiso   1.00
N339   N     0.60591   0.39233   0.70656   0.00000  Uiso   1.00
C340   C     0.66528   0.36770   0.80998   0.00000  Uiso   1.00
C341   C     0.66532   0.36835   0.73121   0.00000  Uiso   1.00
C342   C     0.59739   0.45514   0.81035   0.00000  Uiso   1.00
C343   C     0.59734   0.45552   0.73175   0.00000  Uiso   1.00
C344   C     0.55575   0.35245   0.80989   0.00000  Uiso   1.00
C345   C     0.55558   0.35288   0.73139   0.00000  Uiso   1.00
H346   H     0.70346   0.19621   0.51172   0.00000  Uiso   1.00
H347   H     0.90262   0.42841   0.91696   0.00000  Uiso   1.00
H348   H     0.30041   0.44937   0.61160   0.00000  Uiso   1.00
C349   C     0.38937   0.33514   0.55973   0.00000  Uiso   1.00
H350   H     0.40561   0.33401   0.61364   0.00000  Uiso   1.00
H351   H     0.40557   0.29270   0.53448   0.00000  Uiso   1.00
C352   C     0.31715   0.33575   0.55941   0.00000  Uiso   1.00
H353   H     0.30008   0.33519   0.61291   0.00000  Uiso   1.00
H354   H     0.29998   0.29371   0.53442   0.00000  Uiso   1.00
C355   C     0.60417   0.18083   0.59548   0.00000  Uiso   1.00
H356   H     0.56368   0.19801   0.62372   0.00000  Uiso   1.00
H357   H     0.64519   0.19682   0.62366   0.00000  Uiso   1.00
C358   C     0.60328   0.10883   0.59514   0.00000  Uiso   1.00
H359   H     0.56228   0.09269   0.62294   0.00000  Uiso   1.00
H360   H     0.64357   0.09163   0.62348   0.00000  Uiso   1.00
H361   H     0.40581   0.45088   0.61204   0.00000  Uiso   1.00
H362   H     0.04546   0.19475   0.92791   0.00000  Uiso   1.00
H363   H     0.04583   0.08926   0.92831   0.00000  Uiso   1.00
H364   H     0.16048   0.08908   0.92916   0.00000  Uiso   1.00
H365   H     0.90267   0.34691   0.91842   0.00000  Uiso   1.00
H366   H     0.79739   0.42819   0.91775   0.00000  Uiso   1.00
H367   H     0.30010   0.48969   0.53223   0.00000  Uiso   1.00
H368   H     0.67227   0.32079   0.82952   0.00000  Uiso   1.00
H369   H     0.70298   0.39611   0.83008   0.00000  Uiso   1.00
H370   H     0.70285   0.39756   0.71216   0.00000  Uiso   1.00
H371   H     0.67280   0.32190   0.71061   0.00000  Uiso   1.00
H372   H     0.63456   0.48429   0.83036   0.00000  Uiso   1.00
H373   H     0.55385   0.47343   0.83034   0.00000  Uiso   1.00
H374   H     0.55387   0.47412   0.71194   0.00000  Uiso   1.00
H375   H     0.63460   0.48474   0.71211   0.00000  Uiso   1.00
H376   H     0.51172   0.36954   0.82981   0.00000  Uiso   1.00
H377   H     0.56214   0.30555   0.82948   0.00000  Uiso   1.00
H378   H     0.56167   0.30622   0.71093   0.00000  Uiso   1.00
H379   H     0.00978   0.40025   0.70901   0.00000  Uiso   1.00
H380   H     0.50589   0.19825   0.50969   0.00000  Uiso   1.00
H381   H     0.50549   0.09271   0.50974   0.00000  Uiso   1.00
H382   H     0.70175   0.09063   0.51132   0.00000  Uiso   1.00
H383   H     0.16211   0.19437   0.92896   0.00000  Uiso   1.00
O384   O     0.18495   0.88613   0.57760   0.00000  Uiso   1.00
Cu385  Cu    0.10176   0.88595   0.60547   0.00000  Uiso   1.00
Cu386  Cu    0.10430   0.89000   0.93350   0.00000  Uiso   1.00
C387   C     0.49114   0.89140   0.52135   0.00000  Uiso   1.00
C388   C     0.41952   0.89041   0.52142   0.00000  Uiso   1.00
C389   C     0.21277   0.88637   0.52100   0.00000  Uiso   1.00
C390   C     0.28439   0.88747   0.52119   0.00000  Uiso   1.00
C391   C     0.81576   0.88692   0.95818   0.00000  Uiso   1.00
C392   C     0.88026   0.88785   0.95795   0.00000  Uiso   1.00
O393   O     0.10422   0.80714   0.96220   0.00000  Uiso   1.00
O394   O     0.10072   0.80354   0.57616   0.00000  Uiso   1.00
C395   C     0.10626   0.50279   0.52014   0.00000  Uiso   1.00
C396   C     0.60296   0.70876   0.52074   0.00000  Uiso   1.00
C397   C     0.60253   0.57377   0.52071   0.00000  Uiso   1.00
C398   C     0.10294   0.60752   0.95720   0.00000  Uiso   1.00
C399   C     0.10354   0.67220   0.95721   0.00000  Uiso   1.00
C400   C     0.10068   0.77550   0.51968   0.00000  Uiso   1.00
O401   O     0.10199   0.96892   0.57714   0.00000  Uiso   1.00
O402   O     0.01862   0.88726   0.57793   0.00000  Uiso   1.00
O403   O     0.10324   0.97303   0.96108   0.00000  Uiso   1.00
O404   O     0.02125   0.88995   0.96178   0.00000  Uiso   1.00
O405   O     0.18754   0.89090   0.96239   0.00000  Uiso   1.00
N406   N     0.10353   0.88864   0.83363   0.00000  Uiso   1.00
N407   N     0.10227   0.88584   0.70540   0.00000  Uiso   1.00
C408   C     0.15244   0.84720   0.80932   0.00000  Uiso   1.00
C409   C     0.15161   0.84539   0.73065   0.00000  Uiso   1.00
C410   C     0.11420   0.95106   0.80713   0.00000  Uiso   1.00
C411   C     0.11320   0.94931   0.72855   0.00000  Uiso   1.00
C412   C     0.04327   0.86620   0.81006   0.00000  Uiso   1.00
C413   C     0.04262   0.86401   0.73142   0.00000  Uiso   1.00
H414   H     0.10357   0.69623   0.90785   0.00000  Uiso   1.00
H415   H     0.79158   0.88629   0.90894   0.00000  Uiso   1.00
C416   C     0.38421   0.89001   0.58260   0.00000  Uiso   1.00
H417   H     0.40807   0.89061   0.63204   0.00000  Uiso   1.00
C418   C     0.31955   0.88865   0.58249   0.00000  Uiso   1.00
H419   H     0.29550   0.88852   0.63182   0.00000  Uiso   1.00
C420   C     0.60300   0.67349   0.58198   0.00000  Uiso   1.00
H421   H     0.60307   0.69731   0.63144   0.00000  Uiso   1.00
C422   C     0.60278   0.60888   0.58197   0.00000  Uiso   1.00
H423   H     0.60269   0.58487   0.63133   0.00000  Uiso   1.00
H424   H     0.90401   0.88769   0.90845   0.00000  Uiso   1.00
H425   H     0.14516   0.80102   0.83067   0.00000  Uiso   1.00
H426   H     0.19718   0.86360   0.82803   0.00000  Uiso   1.00
H427   H     0.19602   0.86070   0.70994   0.00000  Uiso   1.00
H428   H     0.14376   0.79829   0.71223   0.00000  Uiso   1.00
H429   H     0.15861   0.96817   0.82597   0.00000  Uiso   1.00
H430   H     0.07836   0.98216   0.82642   0.00000  Uiso   1.00
H431   H     0.07668   0.97932   0.70868   0.00000  Uiso   1.00
H432   H     0.15698   0.96576   0.70727   0.00000  Uiso   1.00
H433   H     0.00694   0.89702   0.82876   0.00000  Uiso   1.00
H434   H     0.03459   0.82048   0.83198   0.00000  Uiso   1.00
H435   H     0.03432   0.81696   0.71307   0.00000  Uiso   1.00
H436   H     0.50628   0.86914   0.70947   0.00000  Uiso   1.00
H437   H     0.10248   0.58362   0.90776   0.00000  Uiso   1.00
O438   O     0.68535   0.89146   0.57848   0.00000  Uiso   1.00
Cu439  Cu    0.60213   0.89093   0.60601   0.00000  Uiso   1.00
Cu440  Cu    0.59931   0.88581   0.93417   0.00000  Uiso   1.00
C441   C     0.98445   0.88790   0.52098   0.00000  Uiso   1.00
C442   C     0.91089   0.88927   0.52055   0.00000  Uiso   1.00
C443   C     0.71239   0.89190   0.52146   0.00000  Uiso   1.00
C444   C     0.78480   0.89143   0.52063   0.00000  Uiso   1.00
C445   C     0.81243   0.94755   0.55686   0.00000  Uiso   1.00
C446   C     0.88458   0.94674   0.55699   0.00000  Uiso   1.00
H447   H     0.90181   0.98837   0.53099   0.00000  Uiso   1.00
O448   O     0.59940   0.80242   0.96207   0.00000  Uiso   1.00
O449   O     0.60263   0.80788   0.57787   0.00000  Uiso   1.00
C450   C     0.60218   0.50235   0.52104   0.00000  Uiso   1.00
C451   C     0.10130   0.70182   0.52014   0.00000  Uiso   1.00
C452   C     0.54512   0.67231   0.98224   0.00000  Uiso   1.00
C453   C     0.54719   0.60017   0.98227   0.00000  Uiso   1.00
C454   C     0.10445   0.57545   0.52056   0.00000  Uiso   1.00
C455   C     0.65947   0.60225   0.98333   0.00000  Uiso   1.00
C456   C     0.65846   0.67447   0.98307   0.00000  Uiso   1.00
C457   C     0.60259   0.78046   0.52110   0.00000  Uiso   1.00
O458   O     0.60257   0.97391   0.57761   0.00000  Uiso   1.00
O459   O     0.51911   0.89123   0.57785   0.00000  Uiso   1.00
O460   O     0.59963   0.96874   0.96240   0.00000  Uiso   1.00
O461   O     0.51663   0.88679   0.96302   0.00000  Uiso   1.00
O462   O     0.68193   0.88607   0.96279   0.00000  Uiso   1.00
C463   C     0.38777   0.88879   0.94510   0.00000  Uiso   1.00
C464   C     0.31577   0.88999   0.94529   0.00000  Uiso   1.00
H465   H     0.29846   0.84950   0.91741   0.00000  Uiso   1.00
N466   N     0.59943   0.88739   0.83417   0.00000  Uiso   1.00
N467   N     0.60098   0.89024   0.70596   0.00000  Uiso   1.00
C468   C     0.65872   0.86338   0.80955   0.00000  Uiso   1.00
C469   C     0.65986   0.86550   0.73103   0.00000  Uiso   1.00
C470   C     0.59122   0.95128   0.81082   0.00000  Uiso   1.00
C471   C     0.59229   0.95306   0.73218   0.00000  Uiso   1.00
C472   C     0.54905   0.84897   0.80774   0.00000  Uiso   1.00
C473   C     0.54996   0.85085   0.72912   0.00000  Uiso   1.00
H474   H     0.20029   0.69335   0.51002   0.00000  Uiso   1.00
H475   H     0.40509   0.92908   0.91661   0.00000  Uiso   1.00
H476   H     0.79568   0.94943   0.61043   0.00000  Uiso   1.00
C477   C     0.88268   0.83333   0.55803   0.00000  Uiso   1.00
H478   H     0.89937   0.83193   0.61176   0.00000  Uiso   1.00
H479   H     0.89822   0.79074   0.53262   0.00000  Uiso   1.00
C480   C     0.81066   0.83517   0.55817   0.00000  Uiso   1.00
H481   H     0.79406   0.83504   0.61186   0.00000  Uiso   1.00
H482   H     0.79278   0.79341   0.53330   0.00000  Uiso   1.00
C483   C     0.10107   0.67452   0.59375   0.00000  Uiso   1.00
H484   H     0.05952   0.68997   0.62129   0.00000  Uiso   1.00
H485   H     0.14091   0.69220   0.62271   0.00000  Uiso   1.00
C486   C     0.10300   0.60254   0.59349   0.00000  Uiso   1.00
H487   H     0.06246   0.58474   0.62090   0.00000  Uiso   1.00
H488   H     0.14373   0.58698   0.62222   0.00000  Uiso   1.00
H489   H     0.90109   0.94824   0.61078   0.00000  Uiso   1.00
H490   H     0.54360   0.68885   0.92846   0.00000  Uiso   1.00
H491   H     0.54719   0.58351   0.92860   0.00000  Uiso   1.00
H492   H     0.66131   0.58541   0.92977   0.00000  Uiso   1.00
H493   H     0.40370   0.84763   0.91717   0.00000  Uiso   1.00
H494   H     0.29982   0.93083   0.91702   0.00000  Uiso   1.00
H495   H     0.79622   0.98954   0.53096   0.00000  Uiso   1.00
H496   H     0.66500   0.81608   0.82807   0.00000  Uiso   1.00
H497   H     0.69628   0.89128   0.83073   0.00000  Uiso   1.00
H498   H     0.69777   0.89481   0.71318   0.00000  Uiso   1.00
H499   H     0.66718   0.81940   0.70948   0.00000  Uiso   1.00
H500   H     0.62818   0.98002   0.83199   0.00000  Uiso   1.00
H501   H     0.54742   0.96937   0.83046   0.00000  Uiso   1.00
H502   H     0.54911   0.97209   0.71199   0.00000  Uiso   1.00
H503   H     0.62981   0.98257   0.71378   0.00000  Uiso   1.00
H504   H     0.50492   0.86612   0.82738   0.00000  Uiso   1.00
H505   H     0.55468   0.80166   0.82641   0.00000  Uiso   1.00
H506   H     0.55573   0.80449   0.70771   0.00000  Uiso   1.00
H507   H     0.00553   0.89311   0.71116   0.00000  Uiso   1.00
H508   H     0.00279   0.68841   0.50804   0.00000  Uiso   1.00
H509   H     0.00628   0.58278   0.50783   0.00000  Uiso   1.00
H510   H     0.20249   0.58792   0.50998   0.00000  Uiso   1.00
H511   H     0.65998   0.69090   0.92924   0.00000  Uiso   1.00
H512   H     0.90295   0.29017   0.03698   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     Cu2     1.889   .     S
O1     C6      1.268   .     S
Cu2    O11     1.902   .     S
Cu2    O18     1.905   .     S
Cu2    O19     1.904   .     S
Cu2    N24     1.961   .     S
Cu3    O10     1.897   .     S
Cu3    O20     1.910   .     S
Cu3    O21     1.905   .     S
Cu3    O22     1.898   .     S
Cu3    N23     1.961   .     S
C4     C5      1.576   .     S
C4     O76     1.270   .     S
C4     O333    1.351   1_554 S
C5     C33     1.432   .     S
C5     C264    1.510   1_554 S
C6     C7      1.567   .     S
C6     O277    1.349   1_554 S
C7     C35     1.430   .     S
C7     C263    1.507   1_554 S
C8     C9      1.416   .     S
C8     H32     1.103   .     S
C8     C262    1.430   .     S
C9     H41     1.103   .     S
C9     C260    1.429   .     S
O10    C272    1.272   .     S
O11    C17     1.268   .     S
C12    C71     1.589   .     S
C12    O145    1.345   1_545 S
C12    O403    1.423   1_544 S
C13    C37     1.430   .     S
C13    C74     1.568   .     S
C13    C271    1.508   1_554 S
C14    C39     1.430   .     S
C14    C67     1.567   .     S
C14    C270    1.508   1_554 S
C15    C16     1.418   .     S
C15    H54     1.104   .     S
C15    C269    1.430   .     S
C16    H31     1.104   .     S
C16    C268    1.430   .     S
C17    C68     1.618   .     S
C17    O265    1.353   1_554 S
O18    C139    1.267   .     S
O19    C58     1.346   1_455 S
O20    C395    1.268   .     S
O21    C313    1.347   1_455 S
O22    C261    1.263   .     S
N23    C25     1.486   .     S
N23    C27     1.485   .     S
N23    C29     1.485   .     S
N24    C26     1.487   .     S
N24    C28     1.485   .     S
N24    C30     1.483   .     S
C25    C26     1.548   .     S
C25    H42     1.109   .     S
C25    H43     1.109   .     S
C26    H44     1.109   .     S
C26    H45     1.109   .     S
C27    C28     1.544   .     S
C27    H46     1.109   .     S
C27    H47     1.108   .     S
C28    H48     1.108   .     S
C28    H49     1.109   .     S
C29    C30     1.541   .     S
C29    H50     1.107   .     S
C29    H51     1.108   .     S
C30    H52     1.108   .     S
C30    H123    1.108   .     S
C33    H34     1.104   .     S
C33    C35     1.419   .     S
C35    H36     1.104   .     S
C37    H38     1.103   .     S
C37    C39     1.417   .     S
C39    H40     1.104   .     S
H53    C90     1.108   .     S
O55    Cu56    1.910   .     S
O55    C60     1.269   .     S
Cu56   O66     1.893   .     S
Cu56   O75     1.901   .     S
Cu56   O76     1.909   .     S
Cu56   N84     1.963   .     S
Cu57   O65     1.899   .     S
Cu57   O77     1.895   .     S
Cu57   O78     1.911   .     S
Cu57   O79     1.903   .     S
Cu57   N83     1.964   .     S
C58    C59     1.611   .     S
C58    O19     1.346   1_655 S
C58    O276    1.421   1_654 S
C59    C63     1.558   .     S
C59    C94     1.560   .     S
C59    C335    1.649   1_554 S
C60    C61     1.597   .     S
C60    O334    1.346   1_554 S
C61    C62     1.546   .     S
C61    C96     1.549   .     S
C61    C336    1.638   1_554 S
C62    C63     1.581   .     S
C62    H93     1.116   .     S
C62    H111    1.111   .     S
C63    H64     1.113   .     S
C63    H105    1.118   .     S
O65    C329    1.273   .     S
O66    C74     1.268   .     S
C67    O202    1.346   1_545 S
C67    O460    1.424   1_544 S
C68    C99     1.566   .     S
C68    C324    1.606   1_554 S
C68    C328    1.604   1_554 S
C69    C70     1.582   .     S
C69    H106    1.118   .     S
C69    C323    1.559   .     S
C69    H380    1.114   .     S
C70    H107    1.116   .     S
C70    C326    1.547   .     S
C70    H381    1.110   .     S
C71    C102    1.552   .     S
C71    C325    1.592   1_554 S
C71    C327    1.590   1_554 S
C72    C73     1.585   .     S
C72    H108    1.116   .     S
C72    C326    1.548   .     S
C72    H382    1.111   .     S
C73    H127    1.118   .     S
C73    C323    1.561   .     S
C73    H346    1.113   .     S
C74    O320    1.350   1_554 S
O75    C194    1.265   .     S
O77    C450    1.270   .     S
O78    C259    1.268   .     S
O79    C315    1.267   .     S
C80    C81     1.581   .     S
C80    H92     1.113   .     S
C80    H109    1.113   .     S
C80    C314    1.567   .     S
C81    H82     1.111   .     S
C81    H110    1.111   .     S
C81    C316    1.551   .     S
N83    C85     1.485   .     S
N83    C87     1.485   .     S
N83    C89     1.486   .     S
N84    C86     1.485   .     S
N84    C88     1.485   .     S
N84    C90     1.485   .     S
C85    C86     1.543   .     S
C85    H112    1.108   .     S
C85    H113    1.108   .     S
C86    H114    1.108   .     S
C86    H115    1.109   .     S
C87    C88     1.545   .     S
C87    H116    1.108   .     S
C87    H117    1.109   .     S
C88    H118    1.109   .     S
C88    H119    1.108   .     S
C89    C90     1.545   .     S
C89    H120    1.108   .     S
C89    H121    1.108   .     S
C90    H122    1.108   .     S
H91    C328    1.158   1_554 S
C94    H95     1.118   .     S
C94    C96     1.585   .     S
C94    H512    1.114   .     S
C96    H97     1.115   .     S
C96    H98     1.111   .     S
C99    H100    1.113   .     S
C99    H101    1.113   .     S
C99    C102    1.580   .     S
C102   H103    1.111   .     S
C102   H104    1.111   .     S
H124   C324    1.158   1_554 S
H125   C325    1.155   1_554 S
H126   C327    1.156   1_554 S
O128   Cu129   1.913   .     S
O128   C133    1.268   .     S
Cu129  O138    1.894   .     S
Cu129  O145    1.902   .     S
Cu129  O146    1.905   .     S
Cu129  N151    1.959   .     S
Cu130  O137    1.902   .     S
Cu130  O147    1.899   .     S
Cu130  O148    1.903   .     S
Cu130  O149    1.906   .     S
Cu130  N150    1.962   .     S
C131   C186    1.613   .     S
C131   O203    1.273   .     S
C131   O461    1.349   1_554 S
C132   C160    1.431   .     S
C132   C185    1.569   .     S
C132   C392    1.508   1_554 S
C133   C188    1.598   .     S
C133   O405    1.349   1_554 S
C134   C162    1.429   .     S
C134   C187    1.564   .     S
C134   C391    1.508   1_554 S
C135   C136    1.418   .     S
C135   H159    1.104   .     S
C135   C390    1.431   .     S
C136   H168    1.104   .     S
C136   C388    1.431   .     S
O137   C400    1.271   .     S
O138   C144    1.270   .     S
C139   C141    1.573   .     S
C139   O275    1.352   1_554 S
C140   C144    1.572   .     S
C140   C164    1.430   .     S
C140   C399    1.509   1_554 S
C141   C166    1.430   .     S
C141   C398    1.509   1_554 S
C142   C143    1.419   .     S
C142   H181    1.104   .     S
C142   C397    1.430   .     S
C143   H158    1.104   .     S
C143   C396    1.431   .     S
C144   O393    1.349   1_554 S
O145   C12     1.345   1_565 S
O146   C185    1.347   1_455 S
O147   C267    1.347   1_565 S
O148   C441    1.349   1_455 S
O149   C389    1.269   .     S
N150   C152    1.484   .     S
N150   C154    1.486   .     S
N150   C156    1.484   .     S
N151   C153    1.485   .     S
N151   C155    1.483   .     S
N151   C157    1.485   .     S
C152   C153    1.544   .     S
C152   H169    1.108   .     S
C152   H170    1.108   .     S
C153   H171    1.108   .     S
C153   H172    1.108   .     S
C154   C155    1.546   .     S
C154   H173    1.108   .     S
C154   H174    1.109   .     S
C155   H175    1.108   .     S
C155   H176    1.109   .     S
C156   C157    1.545   .     S
C156   H177    1.108   .     S
C156   H178    1.108   .     S
C157   H179    1.108   .     S
C157   H251    1.108   .     S
C160   H161    1.103   .     S
C160   C162    1.417   .     S
C162   H163    1.104   .     S
C164   H165    1.104   .     S
C164   C166    1.419   .     S
C166   H167    1.104   .     S
H180   C217    1.109   .     S
O182   Cu183   1.897   .     S
O182   C187    1.270   .     S
Cu183  O193    1.905   .     S
Cu183  O202    1.900   .     S
Cu183  O203    1.901   .     S
Cu183  N211    1.967   .     S
Cu184  O192    1.907   .     S
Cu184  O204    1.912   .     S
Cu184  O205    1.899   .     S
Cu184  O206    1.901   .     S
Cu184  N210    1.960   .     S
C185   O146    1.347   1_655 S
C185   O404    1.424   1_654 S
C186   C190    1.560   .     S
C186   C221    1.559   .     S
C186   C463    1.650   1_554 S
C187   O462    1.347   1_554 S
C188   C189    1.549   .     S
C188   C224    1.548   .     S
C188   C464    1.638   1_554 S
C189   C190    1.585   .     S
C189   H220    1.116   .     S
C189   H239    1.111   .     S
C190   H191    1.113   .     S
C190   H233    1.118   .     S
O192   C457    1.270   .     S
O193   C201    1.271   .     S
C194   C198    1.594   .     S
C194   O332    1.350   1_554 S
C195   C201    1.623   .     S
C195   C227    1.566   .     S
C195   C452    1.606   1_554 S
C195   C456    1.607   1_554 S
C196   C197    1.585   .     S
C196   H234    1.118   .     S
C196   C451    1.561   .     S
C196   H508    1.114   .     S
C197   H235    1.116   .     S
C197   C454    1.548   .     S
C197   H509    1.111   .     S
C198   C230    1.551   .     S
C198   C453    1.592   1_554 S
C198   C455    1.591   1_554 S
C199   C200    1.582   .     S
C199   H236    1.116   .     S
C199   C454    1.547   .     S
C199   H510    1.111   .     S
C200   H255    1.118   .     S
C200   C451    1.560   .     S
C200   H474    1.113   .     S
C201   O448    1.352   1_554 S
O202   C67     1.346   1_565 S
O204   C322    1.343   1_565 S
O205   C387    1.270   .     S
O206   C443    1.265   .     S
C207   C208    1.579   .     S
C207   H219    1.113   .     S
C207   H237    1.113   .     S
C207   C442    1.565   .     S
C208   H209    1.111   .     S
C208   H238    1.111   .     S
C208   C444    1.552   .     S
N210   C212    1.485   .     S
N210   C214    1.484   .     S
N210   C216    1.485   .     S
N211   C213    1.486   .     S
N211   C215    1.487   .     S
N211   C217    1.485   .     S
C212   C213    1.544   .     S
C212   H240    1.109   .     S
C212   H241    1.108   .     S
C213   H242    1.108   .     S
C213   H243    1.109   .     S
C214   C215    1.545   .     S
C214   H244    1.109   .     S
C214   H245    1.109   .     S
C215   H246    1.109   .     S
C215   H247    1.108   .     S
C216   C217    1.545   .     S
C216   H248    1.108   .     S
C216   H249    1.108   .     S
C217   H250    1.108   .     S
H218   C456    1.158   1_554 S
C221   H222    1.118   .     S
C221   H223    1.114   .     S
C221   C224    1.582   .     S
C224   H225    1.116   .     S
C224   H226    1.110   .     S
C227   H228    1.113   .     S
C227   H229    1.113   .     S
C227   C230    1.581   .     S
C230   H231    1.111   .     S
C230   H232    1.111   .     S
H252   C452    1.157   1_554 S
H253   C453    1.154   1_554 S
H254   C455    1.156   1_554 S
O256   Cu257   1.900   .     S
O256   C261    1.270   .     S
Cu257  O266    1.901   .     S
Cu257  O273    1.909   .     S
Cu257  O274    1.902   .     S
Cu257  N279    1.961   .     S
Cu258  O265    1.904   .     S
Cu258  O275    1.903   .     S
Cu258  O276    1.898   .     S
Cu258  O277    1.902   .     S
Cu258  N278    1.966   .     S
C259   C314    1.627   .     S
C259   O331    1.274   .     S
C260   C288    1.430   .     S
C260   C313    1.566   .     S
C261   C316    1.590   .     S
C262   C290    1.430   .     S
C262   C315    1.566   .     S
C263   C264    1.418   .     S
C263   H287    1.104   .     S
C263   C7      1.507   1_556 S
C264   H296    1.103   .     S
C264   C5      1.510   1_556 S
O265   C17     1.353   1_556 S
O266   C272    1.267   .     S
C267   C269    1.569   .     S
C267   O147    1.347   1_545 S
C267   O401    1.346   1_545 S
C268   C272    1.570   .     S
C268   C292    1.431   .     S
C269   C294    1.430   .     S
C270   C271    1.418   .     S
C270   H309    1.104   .     S
C270   C14     1.508   1_556 S
C271   H286    1.103   .     S
C271   C13     1.508   1_556 S
O273   C395    1.266   .     S
O274   C313    1.346   1_455 S
O275   C139    1.352   1_556 S
O276   C58     1.421   1_456 S
O277   C6      1.349   1_556 S
N278   C280    1.485   .     S
N278   C282    1.486   .     S
N278   C284    1.484   .     S
N279   C281    1.485   .     S
N279   C283    1.484   .     S
N279   C285    1.486   .     S
C280   C281    1.544   .     S
C280   H297    1.109   .     S
C280   H298    1.108   .     S
C281   H299    1.108   .     S
C281   H300    1.108   .     S
C282   C283    1.545   .     S
C282   H301    1.109   .     S
C282   H302    1.109   .     S
C283   H303    1.109   .     S
C283   H304    1.109   .     S
C284   C285    1.546   .     S
C284   H305    1.108   .     S
C284   H306    1.109   .     S
C285   H307    1.108   .     S
C285   H379    1.108   .     S
C288   H289    1.103   .     S
C288   C290    1.417   .     S
C290   H291    1.103   .     S
C292   H293    1.103   .     S
C292   C294    1.417   .     S
C294   H295    1.104   .     S
H308   C345    1.107   .     S
O310   Cu311   1.898   .     S
O310   C315    1.267   .     S
Cu311  O321    1.898   .     S
Cu311  O330    1.901   .     S
Cu311  O331    1.917   .     S
Cu311  N339    1.967   .     S
Cu312  O320    1.897   .     S
Cu312  O332    1.902   .     S
Cu312  O333    1.916   .     S
Cu312  O334    1.901   .     S
Cu312  N338    1.966   .     S
C313   O21     1.347   1_655 S
C313   O274    1.346   1_655 S
C314   C318    1.562   .     S
C314   C349    1.563   .     S
C316   C317    1.544   .     S
C316   C352    1.545   .     S
C317   C318    1.584   .     S
C317   H348    1.116   .     S
C317   H367    1.111   .     S
C318   H319    1.113   .     S
C318   H361    1.117   .     S
O320   C74     1.350   1_556 S
O321   C329    1.265   .     S
C322   C326    1.596   .     S
C322   O204    1.343   1_545 S
C322   O458    1.349   1_545 S
C323   C329    1.614   .     S
C323   C355    1.564   .     S
C324   C325    1.583   .     S
C324   H362    1.117   .     S
C324   C68     1.606   1_556 S
C324   H124    1.158   1_556 S
C325   H363    1.116   .     S
C325   C71     1.592   1_556 S
C325   H125    1.155   1_556 S
C326   C358    1.552   .     S
C327   C328    1.582   .     S
C327   H364    1.116   .     S
C327   H126    1.156   1_556 S
C327   C71     1.590   1_556 S
C328   H383    1.118   .     S
C328   H91     1.158   1_556 S
C328   C68     1.604   1_556 S
O330   C450    1.265   .     S
O332   C194    1.350   1_556 S
O333   C4      1.351   1_556 S
O334   C60     1.346   1_556 S
C335   C336    1.579   .     S
C335   H347    1.114   .     S
C335   H365    1.113   .     S
C335   C59     1.649   1_556 S
C336   H337    1.111   .     S
C336   H366    1.110   .     S
C336   C61     1.638   1_556 S
N338   C340    1.486   .     S
N338   C342    1.485   .     S
N338   C344    1.484   .     S
N339   C341    1.487   .     S
N339   C343    1.484   .     S
N339   C345    1.486   .     S
C340   C341    1.548   .     S
C340   H368    1.109   .     S
C340   H369    1.109   .     S
C341   H370    1.109   .     S
C341   H371    1.109   .     S
C342   C343    1.544   .     S
C342   H372    1.109   .     S
C342   H373    1.108   .     S
C343   H374    1.108   .     S
C343   H375    1.108   .     S
C344   C345    1.542   .     S
C344   H376    1.108   .     S
C344   H377    1.108   .     S
C345   H378    1.108   .     S
C349   H350    1.118   .     S
C349   H351    1.114   .     S
C349   C352    1.585   .     S
C352   H353    1.116   .     S
C352   H354    1.111   .     S
C355   H356    1.113   .     S
C355   H357    1.114   .     S
C355   C358    1.580   .     S
C358   H359    1.111   .     S
C358   H360    1.111   .     S
O384   Cu385   1.906   .     S
O384   C389    1.268   .     S
Cu385  O394    1.898   .     S
Cu385  O401    1.904   .     S
Cu385  O402    1.904   .     S
Cu385  N407    1.963   .     S
Cu386  O393    1.904   .     S
Cu386  O403    1.901   .     S
Cu386  O404    1.905   .     S
Cu386  O405    1.913   .     S
Cu386  N406    1.962   .     S
C387   C388    1.572   .     S
C387   O459    1.268   .     S
C388   C416    1.430   .     S
C389   C390    1.572   .     S
C390   C418    1.430   .     S
C391   C392    1.416   .     S
C391   H415    1.103   .     S
C391   C134    1.508   1_556 S
C392   H424    1.103   .     S
C392   C132    1.508   1_556 S
O393   C144    1.349   1_556 S
O394   C400    1.269   .     S
C395   C454    1.595   .     S
C396   C420    1.431   .     S
C396   C457    1.574   .     S
C397   C422    1.429   .     S
C397   C450    1.567   .     S
C398   C399    1.420   .     S
C398   H437    1.104   .     S
C398   C141    1.509   1_556 S
C399   H414    1.104   .     S
C399   C140    1.509   1_556 S
C400   C451    1.617   .     S
O401   C267    1.346   1_565 S
O402   C441    1.347   1_455 S
O403   C12     1.423   1_566 S
O404   C185    1.424   1_456 S
O405   C133    1.349   1_556 S
N406   C408    1.486   .     S
N406   C410    1.484   .     S
N406   C412    1.485   .     S
N407   C409    1.485   .     S
N407   C411    1.485   .     S
N407   C413    1.485   .     S
C408   C409    1.546   .     S
C408   H425    1.109   .     S
C408   H426    1.108   .     S
C409   H427    1.108   .     S
C409   H428    1.109   .     S
C410   C411    1.544   .     S
C410   H429    1.108   .     S
C410   H430    1.108   .     S
C411   H431    1.108   .     S
C411   H432    1.108   .     S
C412   C413    1.546   .     S
C412   H433    1.108   .     S
C412   H434    1.108   .     S
C413   H435    1.109   .     S
C413   H507    1.109   .     S
C416   H417    1.104   .     S
C416   C418    1.419   .     S
C418   H419    1.104   .     S
C420   H421    1.103   .     S
C420   C422    1.418   .     S
C422   H423    1.104   .     S
H436   C473    1.109   .     S
O438   Cu439   1.905   .     S
O438   C443    1.268   .     S
Cu439  O449    1.905   .     S
Cu439  O458    1.905   .     S
Cu439  O459    1.904   .     S
Cu439  N467    1.964   .     S
Cu440  O448    1.910   .     S
Cu440  O460    1.903   .     S
Cu440  O461    1.901   .     S
Cu440  O462    1.898   .     S
Cu440  N466    1.965   .     S
C441   C442    1.615   .     S
C441   O148    1.349   1_655 S
C441   O402    1.347   1_655 S
C442   C446    1.561   .     S
C442   C477    1.560   .     S
C443   C444    1.589   .     S
C444   C445    1.547   .     S
C444   C480    1.546   .     S
C445   C446    1.583   .     S
C445   H476    1.116   .     S
C445   H495    1.111   .     S
C446   H447    1.113   .     S
C446   H489    1.118   .     S
O448   C201    1.352   1_556 S
O449   C457    1.267   .     S
C451   C483    1.565   .     S
C452   C453    1.584   .     S
C452   H490    1.118   .     S
C452   C195    1.606   1_556 S
C452   H252    1.157   1_556 S
C453   H491    1.116   .     S
C453   C198    1.592   1_556 S
C453   H253    1.154   1_556 S
C454   C486    1.552   .     S
C455   C456    1.585   .     S
C455   H492    1.116   .     S
C455   H254    1.156   1_556 S
C455   C198    1.591   1_556 S
C456   H511    1.118   .     S
C456   H218    1.158   1_556 S
C456   C195    1.607   1_556 S
O458   C322    1.349   1_565 S
O460   C67     1.424   1_566 S
O461   C131    1.349   1_556 S
O462   C187    1.347   1_556 S
C463   C464    1.580   .     S
C463   H475    1.113   .     S
C463   H493    1.113   .     S
C463   C186    1.650   1_556 S
C464   H465    1.111   .     S
C464   H494    1.111   .     S
C464   C188    1.638   1_556 S
N466   C468    1.485   .     S
N466   C470    1.486   .     S
N466   C472    1.484   .     S
N467   C469    1.486   .     S
N467   C471    1.484   .     S
N467   C473    1.486   .     S
C468   C469    1.543   .     S
C468   H496    1.109   .     S
C468   H497    1.108   .     S
C469   H498    1.109   .     S
C469   H499    1.109   .     S
C470   C471    1.546   .     S
C470   H500    1.108   .     S
C470   H501    1.109   .     S
C471   H502    1.109   .     S
C471   H503    1.108   .     S
C472   C473    1.545   .     S
C472   H504    1.108   .     S
C472   H505    1.108   .     S
C473   H506    1.108   .     S
C477   H478    1.118   .     S
C477   H479    1.113   .     S
C477   C480    1.581   .     S
C480   H481    1.116   .     S
C480   H482    1.110   .     S
C483   H484    1.113   .     S
C483   H485    1.113   .     S
C483   C486    1.580   .     S
C486   H487    1.111   .     S
C486   H488    1.111   .     S
