data_str_m2_o110_o30_ntt
_audit_creation_date              Wednesday 23 July 2014            
_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                    49.6144
_cell_length_b                    49.7381
_cell_length_c                    49.6149
_cell_angle_alpha                 60.2232
_cell_angle_beta                  60.0185
_cell_angle_gamma                 60.1218
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1     O     1.40693  -0.23537   0.31064 
O2     O     1.40684  -0.28067   0.35627 
C1     C     1.39215  -0.25166   0.33983 
O3     O     1.44429  -0.27317   0.27330 
O4     O     1.44419  -0.31842   0.31898 
C2     C     1.44210  -0.30217   0.28988 
Cu1    Cu    1.45213  -0.24924   0.28681 
Cu2    Cu    1.45187  -0.30396   0.34199 
O5     O     1.49729  -0.27317   0.27315 
O6     O     0.49696  -0.31843   0.31883 
O7     O     1.45985  -0.23552   0.31065 
O8     O     1.45956  -0.28084   0.35627 
C3     C     0.51188  -0.30219   0.28971 
C4     C     1.46178  -0.25186   0.33983 
O9     O     1.40643  -0.23452   0.50828 
O10    O     1.40656  -0.28014   0.50826 
C5     C     1.39173  -0.25109   0.51039 
O11    O     1.45933  -0.23451   0.45534 
O12    O     1.45921  -0.28013   0.45559 
C6     C     1.46137  -0.25112   0.44072 
Cu3    Cu    1.45167  -0.24799   0.50050 
Cu4    Cu    1.45161  -0.30308   0.50061 
O13    O     0.49690  -0.27188   0.49282 
O14    O     0.49667  -0.31742   0.49302 
O15    O     1.44402  -0.27155   0.54567 
O16    O     1.44403  -0.31708   0.54561 
C7     C     0.51154  -0.30101   0.49083 
C8     C     1.44192  -0.30060   0.56038 
H1     H     1.47895   0.16539   0.12846 
C9     C     1.47929   0.16152   0.17352 
C10    C     1.47958   0.17798   0.18946 
H2     H     1.48082   0.16523   0.21416 
C11    C     1.47989   0.21219   0.17237 
C12    C     1.48005   0.22797   0.13980 
H3     H     1.47927   0.25330   0.12746 
C13    C     1.47977   0.21195   0.12341 
C14    C     1.47927   0.17781   0.14101 
C15    C     1.49914   0.24976   0.17328 
H4     H     1.51498   0.25257   0.14784 
C16    C     1.49875   0.26612   0.18973 
H5     H     1.51395   0.28156   0.17678 
C17    C     1.47893   0.26244   0.22276 
C18    C     1.45952   0.24231   0.23935 
H6     H     1.44405   0.23942   0.26490 
C19    C     1.45989   0.22591   0.22295 
H7     H     1.44432   0.21083   0.23606 
C20    C     1.47966   0.22950   0.18973 
C21    C     1.49952   0.10377   0.17442 
H8     H     1.51560   0.11052   0.14911 
C22    C     1.49961   0.07133   0.19079 
H9     H     1.51541   0.05358   0.17790 
C23    C     1.47950   0.06187   0.22368 
C24    C     1.45924   0.08495   0.24017 
H10    H     1.44349   0.07783   0.26559 
C25    C     1.45913   0.11739   0.22386 
H11    H     1.44299   0.13501   0.23688 
C26    C     1.47930   0.12713   0.19080 
C27    C     1.45932   0.22569   0.07948 
H12    H     1.44342   0.21099   0.09717 
C28    C     1.45892   0.24196   0.04713 
H13    H     1.44307   0.23936   0.04015 
C29    C     1.47872   0.26166   0.02403 
C30    C     1.49900   0.26500   0.03329 
H14    H     1.51447   0.28014   0.01548 
C31    C     1.49942   0.24879   0.06562 
H15    H     1.51557   0.25137   0.07223 
C32    C     1.47953   0.22901   0.08907 
C33    C     1.47955   0.02852   0.24049 
C34    C     1.47948   0.00061   0.25458 
C35    C     1.47854   0.27930   0.23966 
C36    C     1.47823   0.29337   0.25384 
C37    C     1.47809   0.27865   0.99086 
C38    C     1.47757   0.29304   0.96306 
C39    C     1.48020  -0.04911   0.30359 
H16    H     1.48153  -0.03705   0.31582 
C40    C     1.47930  -0.08122   0.32018 
H17    H     1.47991  -0.09374   0.34512 
C41    C     1.47739  -0.09696   0.30464 
C42    C     1.47653  -0.08053   0.27240 
H18    H     1.47499  -0.09250   0.26023 
C43    C     1.47743  -0.04841   0.25582 
H19    H     1.47660  -0.03580   0.23095 
C44    C     1.47917  -0.03262   0.27142 
C45    C     1.47755   0.34258   0.91398 
H20    H     1.47860   0.35455   0.92651 
C46    C     1.47674   0.35951   0.88178 
H21    H     1.47711   0.38447   0.86965 
C47    C     1.47530   0.34426   0.86545 
C48    C     1.47468   0.31202   0.88137 
H22    H     1.47346   0.30012   0.86890 
C49    C     1.47550   0.29508   0.91356 
H23    H     1.47496   0.27018   0.92576 
C50    C     1.47691   0.31035   0.92992 
C51    C     1.47305   0.29565   0.30468 
H24    H     1.46961   0.27190   0.31813 
C52    C     1.47257   0.31192   0.32129 
H25    H     1.46871   0.30065   0.34747 
C53    C     1.47690   0.34268   0.30414 
C54    C     1.48177   0.35709   0.27030 
H26    H     1.48507   0.38090   0.25687 
C55    C     1.48225   0.34081   0.25368 
H27    H     1.48595   0.35214   0.22752 
C56    C     1.47786   0.31008   0.27086 
C57    C     1.47573  -0.12972   0.32196 
C58    C     1.47399  -0.15702   0.33659 
C59    C     1.47397   0.36179   0.83255 
C60    C     1.47250   0.37646   0.80511 
C61    C     1.47569   0.35968   0.32140 
C62    C     1.47421   0.37407   0.33602 
O17    O     1.26164  -0.23432   0.45512 
O18    O     1.30712  -0.27990   0.45539 
C63    C     1.29085  -0.25088   0.44053 
O19    O     1.26160  -0.23452   0.50814 
O20    O     1.30708  -0.28011   0.50814 
C64    C     1.29073  -0.25107   0.51028 
Cu5    Cu    1.23761  -0.24797   0.50027 
Cu6    Cu    1.29264  -0.30299   0.50037 
O21    O     1.22356  -0.27153   0.54546 
O22    O     1.26915  -0.31700   0.54535 
O23    O     1.22413  -0.27192   0.49237 
O24    O     1.26972  -0.31739   0.49258 
C65    C     1.24002  -0.30055   0.56015 
C66    C     1.24069  -0.30101   0.49026 
H28    H     1.16782   0.16507   0.12846 
C67    C     1.12602   0.16061   0.17318 
C68    C     1.09346   0.17708   0.18932 
H29    H     1.08060   0.16459   0.21434 
C69    C     1.07631   0.21160   0.17265 
C70    C     1.09304   0.22770   0.14029 
H30    H     1.08032   0.25262   0.12763 
C71    C     1.12555   0.21164   0.12366 
C72    C     1.14228   0.17712   0.14077 
C73    C     1.03227   0.26152   0.18764 
H31    H     1.04997   0.27441   0.17330 
C74    C     0.99983   0.27764   0.20423 
H32    H     0.99281   0.30280   0.20224 
C75    C     0.97665   0.26131   0.22340 
C76    C     0.98600   0.22876   0.22599 
H33    H     0.96816   0.21599   0.24072 
C77    C     1.01845   0.21255   0.20947 
H34    H     1.02514   0.18751   0.21140 
C78    C     1.04190   0.22880   0.19009 
C79    C     1.16309   0.10302   0.17378 
H35    H     1.16556   0.10984   0.14846 
C80    C     1.17943   0.07068   0.18996 
H36    H     1.19453   0.05305   0.17691 
C81    C     1.17619   0.06114   0.22284 
C82    C     1.15656   0.08405   0.23953 
H37    H     1.15405   0.07689   0.26495 
C83    C     1.14018   0.11640   0.22341 
H38    H     1.12551   0.13389   0.23659 
C84    C     1.14327   0.12623   0.19035 
C85    C     1.16304   0.21262   0.06595 
H39    H     1.16543   0.18746   0.07252 
C86    C     1.17947   0.22897   0.03359 
H40    H     1.19455   0.21621   0.01570 
C87    C     1.17625   0.26169   0.02439 
C88    C     1.15663   0.27801   0.04763 
H41    H     1.15415   0.30330   0.04071 
C89    C     1.14014   0.26175   0.07995 
H42    H     1.12541   0.27467   0.09769 
C90    C     1.14312   0.22890   0.08942 
C91    C     1.19305   0.02788   0.23946 
C92    C     1.20715   0.00005   0.25348 
C93    C     0.94332   0.27799   0.24044 
C94    C     0.91545   0.29211   0.25467 
C95    C     1.19289   0.27864   0.99107 
C96    C     1.20668   0.29305   0.96319 
C97    C     1.20707  -0.04983   0.30229 
H43    H     1.18127  -0.03803   0.31426 
C98    C     1.22353  -0.08184   0.31898 
H44    H     1.21035  -0.09454   0.34374 
C99    C     1.25695  -0.09724   0.30381 
C100   C     1.27380  -0.08058   0.27180 
H45    H     1.29965  -0.09230   0.25992 
C101   C     1.25732  -0.04856   0.25511 
H46    H     1.27056  -0.03577   0.23043 
C102   C     1.22395  -0.03310   0.27037 
C103   C     1.21011   0.34466   0.91724 
H47    H     1.18773   0.35823   0.93234 
C104   C     1.22616   0.36157   0.88499 
H48    H     1.21609   0.38809   0.87540 
C105   C     1.25517   0.34424   0.86532 
C106   C     1.26804   0.30995   0.87799 
H49    H     1.29049   0.29638   0.86295 
C107   C     1.25200   0.29305   0.91025 
H50    H     1.26214   0.26654   0.91991 
C108   C     1.22304   0.31039   0.92994 
C109   C     0.86573   0.29301   0.30411 
H51    H     0.87781   0.26766   0.31655 
C110   C     0.83356   0.30967   0.32070 
H52    H     0.82100   0.29709   0.34586 
C111   C     0.81780   0.34250   0.30486 
C112   C     0.83427   0.35858   0.27235 
H53    H     0.82227   0.38398   0.25995 
C113   C     0.86644   0.34191   0.25575 
H54    H     0.87907   0.35454   0.23064 
C114   C     0.88224   0.30912   0.27162 
C115   C     1.27405  -0.12984   0.32132 
C116   C     1.28844  -0.15702   0.33614 
C117   C     1.27207   0.36167   0.83240 
C118   C     1.28650   0.37626   0.80498 
C119   C     0.78495   0.35981   0.32213 
C120   C     0.75756   0.37440   0.33673 
C121   C     0.67848   0.44275   0.35597 
C122   C     0.72506   0.39194   0.35432 
C123   C     0.67827   0.39355   0.40523 
C124   C     0.70966   0.42492   0.33871 
H55    H     0.72233   0.43669   0.31323 
C125   C     0.70949   0.37636   0.38738 
H56    H     0.72206   0.35095   0.39920 
C126   C     0.66288   0.42668   0.38916 
H57    H     0.63906   0.44028   0.40280 
C127   C     0.72716  -0.44417   0.35440 
C128   C     0.67977  -0.44857   0.35559 
C129   C     0.67974  -0.44836   0.40496 
C130   C     0.71144  -0.44573   0.33862 
H58    H     0.72422  -0.44525   0.31326 
C131   C     0.66407  -0.44950   0.38864 
H59    H     0.63986  -0.45208   0.40203 
C132   C     0.71142  -0.44551   0.38739 
H60    H     0.72418  -0.44484   0.39939 
C133   C     0.59653  -0.47621   0.27517 
C134   C     0.59848  -0.48291   0.22879 
C135   C     0.54721  -0.47632   0.27500 
C136   C     0.61400  -0.48065   0.24421 
H61    H     0.63958  -0.48186   0.23169 
C137   C     0.56534  -0.48079   0.24405 
H62    H     0.55366  -0.48211   0.23143 
C138   C     0.56316  -0.47436   0.29050 
H63    H     0.54934  -0.47048   0.31413 
C139   C     1.22438  -0.31626   0.59577 
C140   C     1.22443  -0.36530   0.64516 
C141   C     1.17746  -0.31478   0.64658 
C142   C     1.23999  -0.34923   0.61198 
H64    H     1.26396  -0.36274   0.59843 
C143   C     1.19307  -0.34761   0.66232 
H65    H     1.18040  -0.35943   0.68778 
C144   C     1.19300  -0.29916   0.61352 
H66    H     1.18027  -0.27387   0.60161 
C145   C     0.59616   0.31237   0.59611 
C146   C     0.59728   0.26585   0.64694 
C147   C     0.54647   0.31248   0.64527 
C148   C     0.61322   0.28127   0.61395 
H67    H     0.63876   0.26866   0.60214 
C149   C     0.56412   0.28137   0.66252 
H68    H     0.55206   0.26885   0.68794 
C150   C     0.56286   0.32784   0.61214 
H69    H     0.54935   0.35153   0.59848 
C151   C     1.47176   0.39149   0.35364 
C152   C     1.46569   0.44233   0.35542 
C153   C     1.46562   0.39315   0.40472 
C154   C     1.46987   0.42445   0.33805 
H70    H     1.47109   0.43620   0.31252 
C155   C     1.46390   0.42631   0.38869 
H71    H     1.46020   0.43997   0.40244 
C156   C     1.46967   0.37591   0.38676 
H72    H     1.47068   0.35051   0.39855 
C157   C     0.59828  -0.31678   0.22715 
C158   C     0.59711  -0.36706   0.27428 
C159   C     0.54753  -0.31806   0.27415 
C160   C     0.61417  -0.34952   0.24282 
H73    H     0.63965  -0.36138   0.23011 
C161   C     0.56386  -0.35095   0.28984 
H74    H     0.55036  -0.36434   0.31387 
C162   C     0.56520  -0.30113   0.24270 
H75    H     0.55318  -0.27593   0.22989 
C163   C     1.35603  -0.44881   0.35434 
C164   C     1.30544  -0.44393   0.35274 
C165   C     1.30630  -0.44827   0.40347 
C166   C     1.33857  -0.44575   0.33716 
H76    H     1.35076  -0.44526   0.31180 
C167   C     1.28939  -0.44522   0.38572 
H77    H     1.26391  -0.44433   0.39757 
C168   C     1.33950  -0.44969   0.38736 
H78    H     1.35284  -0.45245   0.40091 
C169   C     1.43713  -0.36517   0.64550 
C170   C     1.43261  -0.31466   0.64661 
C171   C     1.43769  -0.31626   0.59598 
C172   C     1.43392  -0.34747   0.66251 
H79    H     1.43302  -0.35923   0.68794 
C173   C     1.43450  -0.29916   0.61357 
H80    H     1.43404  -0.27392   0.60153 
C174   C     1.43864  -0.34917   0.61232 
H81    H     1.44152  -0.36267   0.59887 
C175   C     1.42957   0.26655   0.64722 
C176   C     1.43661   0.31268   0.64519 
C177   C     1.43673   0.31229   0.59589 
C178   C     1.43182   0.28202   0.66273 
H82    H     1.43029   0.26982   0.68836 
C179   C     1.43878   0.32767   0.61185 
H83    H     1.44302   0.35101   0.59800 
C180   C     1.43201   0.28158   0.61399 
H84    H     1.43070   0.26902   0.60226 
C181   C     0.59664  -0.36599   0.48654 
C182   C     0.59815  -0.31504   0.48045 
C183   C     0.54718  -0.31683   0.48660 
C184   C     0.61387  -0.34807   0.48250 
H85    H     0.63940  -0.35980   0.48137 
C185   C     0.56503  -0.29952   0.48254 
H86    H     0.55316  -0.27407   0.48145 
C186   C     0.56336  -0.34998   0.48823 
H87    H     0.54973  -0.36365   0.49176 
C187   C     1.30668  -0.23562   0.51456 
C188   C     1.30537  -0.18888   0.51991 
C189   C     1.35610  -0.23564   0.51462 
C190   C     1.28959  -0.20439   0.51815 
H88    H     1.26415  -0.19173   0.51899 
C191   C     1.33839  -0.20440   0.51822 
H89    H     1.35033  -0.19176   0.51912 
C192   C     1.33986  -0.25117   0.51317 
H90    H     1.35339  -0.27501   0.50993 
C193   C     1.46456   0.39529   0.72587 
C194   C     1.46433   0.44462   0.72612 
C195   C     1.47016   0.39391   0.77259 
C196   C     1.46287   0.42845   0.71049 
H91    H     1.45946   0.44197   0.68671 
C197   C     1.46819   0.42688   0.75727 
H92    H     1.46911   0.43873   0.76999 
C198   C     1.46838   0.37821   0.75702 
H93    H     1.46944   0.35279   0.76956 
C199   C     1.22544  -0.36592   0.48509 
C200   C     1.22534  -0.31680   0.48566 
C201   C     1.17915  -0.31499   0.47876 
C202   C     1.24078  -0.34994   0.48718 
H94    H     1.26443  -0.36361   0.49094 
C203   C     1.19440  -0.29950   0.48128 
H95    H     1.18183  -0.27407   0.48027 
C204   C     1.19451  -0.34800   0.48072 
H96    H     1.18203  -0.35971   0.47927 
C205   C     1.30594   0.44437   0.72597 
C206   C     1.35522   0.39505   0.72596 
C207   C     1.30410   0.39368   0.77249 
C208   C     1.33921   0.42818   0.71051 
H97    H     1.35297   0.44169   0.68678 
C209   C     1.33721   0.37797   0.75707 
H98    H     1.34897   0.35256   0.76966 
C210   C     1.28853   0.42665   0.75705 
H99    H     1.26300   0.43853   0.76962 
O25    O     0.63344   0.39403   0.45567 
O26    O     0.67914   0.34867   0.45544 
C211   C     0.66262   0.37771   0.44082 
O27    O     0.63313   0.39443   0.50828 
O28    O     0.67882   0.34907   0.50833 
C212   C     0.66223   0.37817   0.51040 
Cu7    Cu    0.61013   0.37989   0.50070 
Cu8    Cu    0.66529   0.32502   0.50064 
O29    O     0.59586   0.35680   0.54572 
O30    O     0.64145   0.31134   0.54586 
O31    O     0.59571   0.35679   0.49312 
O32    O     0.64131   0.31134   0.49297 
C213   C     0.61222   0.32783   0.56053 
C214   C     0.61213   0.32776   0.49095 
H100   H     1.08583  -0.43911   0.20975 
C215   C     1.13125  -0.44017   0.16851 
C216   C     1.14767  -0.44207   0.13648 
H101   H     1.17272  -0.44166   0.12349 
C217   C     1.13164  -0.44337   0.12067 
C218   C     1.09874  -0.44279   0.13738 
H102   H     1.08623  -0.44389   0.12545 
C219   C     1.08185  -0.44086   0.16939 
C220   C     1.09835  -0.43957   0.18472 
C221   C     1.13312  -0.42704   0.06325 
H103   H     1.10794  -0.41057   0.06931 
C222   C     1.14949  -0.42952   0.03158 
H104   H     1.13667  -0.41537   0.01384 
C223   C     1.18227  -0.45024   0.02286 
C224   C     1.19850  -0.46852   0.04607 
H105   H     1.22373  -0.48485   0.03966 
C225   C     1.18218  -0.46610   0.07776 
H106   H     1.19505  -0.48091   0.09548 
C226   C     1.14924  -0.44542   0.08676 
C227   C     1.13202  -0.41788   0.20377 
H107   H     1.10694  -0.40155   0.20544 
C228   C     1.14798  -0.41733   0.22002 
H108   H     1.13496  -0.40091   0.23426 
C229   C     1.18053  -0.43791   0.21798 
C230   C     1.19716  -0.45891   0.19939 
H109   H     1.22232   0.52499   0.19777 
C231   C     1.18126  -0.45948   0.18307 
H110   H     1.19436   0.52367   0.16932 
C232   C     1.14844  -0.43906   0.18520 
C233   C     1.02381  -0.41894   0.20519 
H111   H     1.03084  -0.40215   0.20622 
C234   C     0.99112  -0.41860   0.22182 
H112   H     0.97349  -0.40187   0.23571 
C235   C     0.98125  -0.43970   0.22049 
C236   C     1.00421  -0.46112   0.20237 
H113   H     0.99682   0.52237   0.20132 
C237   C     1.03691  -0.46147   0.18567 
H114   H     1.05440   0.52142   0.17221 
C238   C     1.04709  -0.44040   0.18693 
C239   C     1.19670  -0.43781   0.23530 
C240   C     1.21016  -0.43788   0.24999 
C241   C     1.19961  -0.45404   0.98948 
C242   C     1.20470  -0.42216   0.96260 
C243   C     0.94764  -0.43949   0.23785 
C244   C     0.91952  -0.43939   0.25248 
C245   C     1.25679  -0.43321   0.25104 
H115   H     1.26844  -0.42895   0.22475 
C246   C     1.27252  -0.43387   0.26833 
H116   H     1.29622  -0.43014   0.25527 
C247   C     1.25776  -0.43950   0.30236 
C248   C     1.22714  -0.44439   0.31900 
H117   H     1.21557  -0.44883   0.34531 
C249   C     1.21140  -0.44372   0.30171 
H118   H     1.18779  -0.44764   0.31480 
C250   C     1.22620  -0.43818   0.26770 
C251   C     0.86860  -0.43860   0.25426 
H119   H     0.88018  -0.43772   0.22879 
C252   C     0.83617  -0.43905   0.27143 
H120   H     0.82298  -0.43855   0.25908 
C253   C     0.82097  -0.44032   0.30442 
C254   C     0.83831  -0.44104   0.32015 
H121   H     0.82678  -0.44208   0.34567 
C255   C     0.87075  -0.44059   0.30299 
H122   H     0.88401  -0.44127   0.31537 
C256   C     0.88599  -0.43943   0.27002 
C257   C     1.25381  -0.42369   0.91094 
H123   H     1.26585  -0.41960   0.92107 
C258   C     1.27007  -0.42653   0.87942 
H124   H     1.29459  -0.42470   0.86548 
C259   C     1.25467  -0.43163   0.86598 
C260   C     1.22294  -0.43391   0.88422 
H125   H     1.21082  -0.43780   0.87401 
C261   C     1.20667  -0.43107   0.91576 
H126   H     1.18207  -0.43267   0.92963 
C262   C     1.22212  -0.42607   0.92928 
C263   C     1.27423  -0.44070   0.32021 
C264   C     1.28828  -0.44198   0.33509 
C265   C     0.78778  -0.44131   0.32218 
C266   C     0.76008  -0.44243   0.33694 
C267   C     1.27151  -0.43454   0.83353 
C268   C     1.28593  -0.43708   0.80639 
C269   C     1.43772  -0.36728   0.27422 
C270   C     1.43780  -0.31806   0.27438 
C271   C     1.43220  -0.31665   0.22763 
C272   C     1.43920  -0.35113   0.28984 
H127   H     1.44246  -0.36462   0.31369 
C273   C     1.43409  -0.30098   0.24317 
H128   H     1.43324  -0.27562   0.23056 
C274   C     1.43404  -0.34959   0.24300 
H129   H     1.43314  -0.36146   0.23028 
O33    O     0.59629  -0.41628   0.49252 
O34    O     0.64166  -0.41616   0.49299 
C275   C     0.61258  -0.40151   0.49069 
O35    O     0.59575  -0.46846   0.54514 
O36    O     0.64117  -0.46870   0.54588 
C276   C     0.61193  -0.47061   0.56026 
Cu9    Cu    0.61063  -0.46114   0.50003 
Cu10   Cu    0.66553  -0.46131   0.50075 
O37    O     0.63344   0.49392   0.50774 
O38    O     0.67893   0.49359   0.50843 
O39    O     0.63451  -0.45391   0.45508 
O40    O     0.68002  -0.45399   0.45546 
C277   C     0.66241   0.47904   0.51022 
C278   C     0.66376  -0.45204   0.44053 
H130   H     0.82399  -0.49165   0.87287 
C279   C     0.77847  -0.49108   0.87676 
C280   C     0.76231  -0.49128   0.86038 
H131   H     0.73685  -0.49047   0.87277 
C281   C     0.77833  -0.49121   0.82769 
C282   C     0.81094  -0.49102   0.81140 
H132   H     0.82344  -0.49092   0.78617 
C283   C     0.82750  -0.49083   0.82739 
C284   C     0.81107  -0.49090   0.86008 
C285   C     0.76326  -0.47034   0.77775 
H133   H     0.77757  -0.45407   0.76487 
C286   C     0.74667  -0.47008   0.76161 
H134   H     0.74864  -0.45394   0.73643 
C287   C     0.72756  -0.49046   0.77795 
C288   C     0.72499   0.48893   0.81051 
H135   H     0.71029   0.47303   0.82328 
C289   C     0.74151   0.48866   0.82673 
H136   H     0.73958   0.47225   0.85180 
C290   C     0.76085  -0.49099   0.81049 
C291   C     0.76404  -0.47043   0.92089 
H137   H     0.77838  -0.45420   0.90316 
C292   C     0.74781  -0.47030   0.95338 
H138   H     0.75005  -0.45428   0.96045 
C293   C     0.72870  -0.49065   0.97657 
C294   C     0.72578   0.48889   0.96720 
H139   H     0.71107   0.47302   0.98507 
C295   C     0.74194   0.48875   0.93471 
H140   H     0.73975   0.47244   0.92800 
C296   C     0.76127  -0.49093   0.91123 
C297   C     0.87150  -0.46996   0.81274 
H141   H     0.85375  -0.45383   0.82724 
C298   C     0.90392  -0.46960   0.79628 
H142   H     0.91090  -0.45351   0.79850 
C299   C     0.92713  -0.48981   0.77695 
C300   C     0.91787   0.48961   0.77410 
H143   H     0.93578   0.47382   0.75926 
C301   C     0.88545   0.48923   0.79051 
H144   H     0.87884   0.47282   0.78837 
C302   C     0.86193  -0.49054   0.81000 
C303   C     0.71207  -0.49054   0.00999 
C304   C     0.69807  -0.49045   0.03799 
C305   C     0.71063  -0.49026   0.76127 
C306   C     0.69649  -0.49005   0.74722 
C307   C     0.96044  -0.48937   0.75998 
C308   C     0.98835  -0.48900   0.74569 
C309   C     0.64965  -0.49285   0.08852 
H145   H     0.63779   0.50485   0.07679 
C310   C     0.63313  -0.49227   0.12087 
H146   H     0.60858   0.50593   0.13392 
C311   C     0.64822  -0.48912   0.13614 
C312   C     0.67991  -0.48667   0.11905 
H147   H     0.69167  -0.48412   0.13069 
C313   C     0.69643  -0.48726   0.08670 
H148   H     0.72089  -0.48522   0.07356 
C314   C     0.68129  -0.49027   0.07137 
C315   C     1.03693  -0.48626   0.69530 
H149   H     1.02381  -0.48498   0.68238 
C316   C     1.06922  -0.48551   0.67855 
H150   H     1.08085  -0.48361   0.65278 
C317   C     1.08630  -0.48700   0.69504 
C318   C     1.07104  -0.48933   0.72832 
H151   H     1.08409  -0.49040   0.74119 
C319   C     1.03875  -0.49008   0.74507 
H152   H     1.02706  -0.49178   0.77079 
C320   C     1.02163  -0.48850   0.72857 
C321   C     0.64667  -0.48844   0.74614 
H153   H     0.63374  -0.48793   0.77118 
C322   C     0.63017  -0.48762   0.72953 
H154   H     0.60459  -0.48643   0.74182 
C323   C     0.64662  -0.48805   0.69708 
C324   C     0.67966  -0.48947   0.68134 
H155   H     0.69251  -0.48972   0.65622 
C325   C     0.69616  -0.49030   0.69795 
H156   H     0.72166  -0.49123   0.68557 
C326   C     0.67966  -0.48970   0.73034 
C327   C     0.63089  -0.48759   0.16904 
C328   C     0.61621  -0.48579   0.19642 
C329   C     1.11918  -0.48542   0.67765 
C330   C     1.14657  -0.48364   0.66301 
C331   C     0.62938  -0.48624   0.67969 
C332   C     0.61479  -0.48423   0.66496 
O41    O     1.22331  -0.41542   0.69003 
O42    O     1.26924  -0.41546   0.64464 
C333   C     1.23999  -0.40075   0.66100 
O43    O     1.26044  -0.45292   0.72802 
O44    O     1.30624  -0.45289   0.68252 
C334   C     1.28963  -0.45084   0.71170 
Cu11   Cu    1.23695  -0.46049   0.71368 
Cu12   Cu    1.29239  -0.46032   0.65878 
O45    O     1.26087   0.49447   0.72710 
O46    O     1.30671   0.49476   0.68163 
O47    O     1.22377  -0.46801   0.68919 
O48    O     1.26966  -0.46776   0.64378 
C335   C     1.29014   0.47991   0.71058 
C336   C     1.24054  -0.46996   0.65995 
O49    O     1.40592   0.39509   0.68140 
O50    O     1.40538   0.35003   0.72726 
C337   C     1.39088   0.37901   0.71056 
O51    O     1.44342   0.35715   0.64432 
O52    O     1.44291   0.31203   0.69011 
C338   C     1.44102   0.32826   0.66091 
Cu13   Cu    1.45105   0.38047   0.65842 
Cu14   Cu    1.45058   0.32599   0.71381 
O53    O     1.49611   0.35706   0.64441 
O54    O     0.49589   0.31193   0.69019 
O55    O     1.45855   0.39528   0.68124 
O56    O     1.45826   0.35021   0.72710 
C339   C     0.51077   0.32815   0.66099 
C340   C     1.46045   0.37922   0.71040 
O57    O     1.40634   0.39420   0.50772 
O58    O     1.40599   0.34883   0.50768 
C341   C     1.39141   0.37795   0.50972 
O59    O     1.45918   0.39369   0.45528 
O60    O     1.45917   0.34830   0.45495 
C342   C     1.46132   0.37734   0.44036 
Cu15   Cu    1.45136   0.37960   0.50037 
Cu16   Cu    1.45123   0.32471   0.50020 
O61    O     0.49638   0.35654   0.49299 
O62    O     1.49651   0.31103   0.49277 
O63    O     1.44351   0.35651   0.54540 
O64    O     1.44327   0.31102   0.54549 
C343   C     0.51120   0.32750   0.49084 
C344   C     1.44121   0.32756   0.56021 
O65    O     1.22417  -0.41608   0.49143 
O66    O     1.27007  -0.41620   0.49110 
C345   C     1.24087  -0.40143   0.48922 
O67    O     1.22420  -0.46862   0.54430 
O68    O     1.27005  -0.46839   0.54372 
C346   C     1.24091  -0.47052   0.55876 
Cu17   Cu    1.23762  -0.46123   0.49918 
Cu18   Cu    1.29301  -0.46107   0.49860 
O69    O     1.26161   0.49365   0.50687 
O70    O     1.30740   0.49398   0.50630 
O71    O     1.26108  -0.45388   0.45389 
O72    O     1.30684  -0.45381   0.45364 
C347   C     1.29085   0.47908   0.50875 
C348   C     1.29032  -0.45193   0.43903 
O73    O     1.40515  -0.45259   0.68260 
O74    O     1.40518  -0.45266   0.72829 
C349   C     1.39040  -0.45058   0.71181 
O75    O     1.45779   0.49503   0.68181 
O76    O     1.45809   0.49465   0.72752 
C350   C     1.46005   0.48014   0.71083 
Cu19   Cu    1.45022  -0.46008   0.65912 
Cu20   Cu    1.45050  -0.46033   0.71428 
O77    O     1.49537  -0.46767   0.64459 
O78    O     0.49573  -0.46798   0.69024 
O79    O     1.44280  -0.41528   0.64501 
O80    O     1.44297  -0.41524   0.69057 
C351   C     0.51033  -0.46995   0.66101 
C352   C     1.44092  -0.40059   0.66143 
H157   H     0.73689  -0.08874   0.47113 
C353   C     0.77802  -0.13388   0.47081 
C354   C     0.81083  -0.14995   0.47026 
H158   H     0.82312  -0.17516   0.47059 
C355   C     0.82750  -0.13418   0.47056 
C356   C     0.81100  -0.10188   0.47132 
H159   H     0.82374  -0.08958   0.47154 
C357   C     0.77819  -0.08536   0.47183 
C358   C     0.76189  -0.10159   0.47161 
C359   C     0.87205  -0.14984   0.49119 
H160   H     0.85446  -0.13622   0.50816 
C360   C     0.90467  -0.16627   0.49086 
H161   H     0.91197  -0.16488   0.50727 
C361   C     0.92768  -0.18451   0.46956 
C362   C     0.91798  -0.18637   0.44862 
H162   H     0.93569  -0.20038   0.43201 
C363   C     0.88536  -0.17003   0.44898 
H163   H     0.87836  -0.17144   0.43236 
C364   C     0.86208  -0.15155   0.47023 
C365   C     0.72786  -0.14853   0.49139 
H164   H     0.71508  -0.13468   0.50811 
C366   C     0.71156  -0.16467   0.49125 
H165   H     0.68638  -0.16286   0.50757 
C367   C     0.72779  -0.18325   0.47031 
C368   C     0.76041  -0.18572   0.44953 
H166   H     0.77311  -0.20005   0.43324 
C369   C     0.77678  -0.16966   0.44967 
H167   H     0.80191  -0.17158   0.43319 
C370   C     0.76065  -0.15086   0.47059 
C371   C     0.72807  -0.04164   0.49316 
H168   H     0.71510  -0.05926   0.50910 
C372   C     0.71183  -0.00942   0.49380 
H169   H     0.68653  -0.00248   0.50993 
C373   C     0.72822   0.01367   0.47376 
C374   C     0.76095   0.00445   0.45315 
H170   H     0.77374   0.02225   0.43748 
C375   C     0.77726  -0.02778   0.45252 
H171   H     0.80243  -0.03433   0.43605 
C376   C     0.76097  -0.05116   0.47250 
C377   C     0.71103  -0.19995   0.47034 
C378   C     0.69693  -0.21404   0.47058 
C379   C     0.96121  -0.20133   0.46926 
C380   C     0.98924  -0.21539   0.46921 
C381   C     0.71140   0.04688   0.47420 
C382   C     0.69726   0.07473   0.47449 
C383   C     0.69808  -0.25935   0.46212 
H172   H     0.72477  -0.26845   0.45434 
C384   C     0.68162  -0.27620   0.46331 
H173   H     0.69570  -0.29822   0.45645 
C385   C     0.64710  -0.26474   0.47356 
C386   C     0.62908  -0.23633   0.48252 
H174   H     0.60237  -0.22739   0.49059 
C387   C     0.64554  -0.21948   0.48133 
H175   H     0.63145  -0.19761   0.48846 
C388   C     0.68006  -0.23100   0.47118 
C389   C     0.69669   0.12474   0.47396 
H176   H     0.72222   0.11285   0.47283 
C390   C     0.68007   0.15696   0.47464 
H177   H     0.69286   0.16972   0.47410 
C391   C     0.64702   0.17252   0.47618 
C392   C     0.63065   0.15575   0.47702 
H178   H     0.60508   0.16758   0.47830 
C393   C     0.64727   0.12353   0.47635 
H179   H     0.63443   0.11069   0.47707 
C394   C     0.68030   0.10796   0.47486 
C395   C     1.03993  -0.26349   0.46639 
H180   H     1.02846  -0.27513   0.46348 
C396   C     1.07212  -0.28004   0.46736 
H181   H     1.08531  -0.30437   0.46522 
C397   C     1.08703  -0.26528   0.47140 
C398   C     1.06975  -0.23388   0.47431 
H182   H     1.08109  -0.22237   0.47757 
C399   C     1.03757  -0.21734   0.47334 
H183   H     1.02427  -0.19314   0.47581 
C400   C     1.02258  -0.23215   0.46947 
C401   C     0.63011  -0.28243   0.47550 
C402   C     0.61568  -0.29729   0.47752 
C403   C     0.62976   0.20543   0.47749 
C404   C     0.61520   0.23286   0.47897 
C405   C     1.11973  -0.28266   0.47341 
C406   C     1.14693  -0.29733   0.47557 
H184   H     1.08056   0.25257   0.52751 
C407   C     1.07643   0.21124   0.52792 
C408   C     1.09305   0.17882   0.52752 
H185   H     1.08047   0.16627   0.52746 
C409   C     1.12578   0.16248   0.52725 
C410   C     1.14188   0.17893   0.52741 
H186   H     1.16678   0.16614   0.52819 
C411   C     1.12567   0.21135   0.52779 
C412   C     1.09294   0.22728   0.52808 
C413   C     1.17600   0.11873   0.50618 
H187   H     1.18882   0.13646   0.48994 
C414   C     1.19233   0.08643   0.50578 
H188   H     1.21759   0.07953   0.48955 
C415   C     1.17606   0.06325   0.52612 
C416   C     1.14340   0.07242   0.54691 
H189   H     1.13070   0.05456   0.56282 
C417   C     1.12700   0.10472   0.54731 
H190   H     1.10186   0.11129   0.56384 
C418   C     1.14314   0.12820   0.52692 
C419   C     1.01852   0.24734   0.54885 
H191   H     1.02537   0.24917   0.56530 
C420   C     0.98597   0.26360   0.54897 
H192   H     0.96820   0.27800   0.56521 
C421   C     0.97644   0.26121   0.52825 
C422   C     0.99952   0.24245   0.50746 
H193   H     0.99232   0.24062   0.49125 
C423   C     1.03207   0.22608   0.50737 
H194   H     1.04971   0.21204   0.49078 
C424   C     1.04190   0.22840   0.52806 
C425   C     1.12649   0.24768   0.54856 
H195   H     1.10129   0.24968   0.56486 
C426   C     1.14269   0.26391   0.54871 
H196   H     1.12977   0.27847   0.56481 
C427   C     1.17541   0.26126   0.52823 
C428   C     1.19196   0.24224   0.50767 
H197   H     1.21728   0.24016   0.49168 
C429   C     1.17584   0.22592   0.50753 
H198   H     1.18890   0.21167   0.49113 
C430   C     1.14289   0.22853   0.52795 
C431   C     0.94303   0.27817   0.52823 
C432   C     0.91505   0.29244   0.52814 
C433   C     1.19287   0.03007   0.52559 
C434   C     1.20698   0.00229   0.52511 
C435   C     1.19199   0.27818   0.52817 
C436   C     1.20598   0.29239   0.52793 
C437   C     0.86632   0.29487   0.52430 
H199   H     0.87936   0.27064   0.52190 
C438   C     0.83403   0.31161   0.52361 
H200   H     0.82237   0.30020   0.52066 
C439   C     0.81703   0.34302   0.52653 
C440   C     0.83237   0.35759   0.53025 
H201   H     0.81941   0.38190   0.53245 
C441   C     0.86467   0.34085   0.53093 
H202   H     0.87644   0.35232   0.53368 
C442   C     0.88171   0.30950   0.52789 
C443   C     1.25734   0.29835   0.51648 
H203   H     1.27149   0.27693   0.50862 
C444   C     1.27376   0.31509   0.51553 
H204   H     1.30048   0.30651   0.50691 
C445   C     1.25570   0.34289   0.52552 
C446   C     1.22115   0.35383   0.53657 
H205   H     1.20701   0.37532   0.54431 
C447   C     1.20473   0.33708   0.53751 
H206   H     1.17801   0.34573   0.54599 
C448   C     1.22281   0.30937   0.52739 
C449   C     1.20946  -0.04556   0.51977 
H207   H     1.18561  -0.03201   0.51638 
C450   C     1.22587  -0.07785   0.51931 
H208   H     1.21461  -0.08904   0.51555 
C451   C     1.25673  -0.09555   0.52363 
C452   C     1.27115  -0.08085   0.52837 
H209   H     1.29504  -0.09437   0.53166 
C453   C     1.25474  -0.04856   0.52883 
H210   H     1.26604  -0.03734   0.53250 
C454   C     1.22387  -0.03088   0.52455 
C455   C     0.78411   0.36048   0.52505 
C456   C     0.75671   0.37512   0.52337 
C457   C     1.27267   0.36037   0.52397 
C458   C     1.28714   0.37503   0.52226 
C459   C     1.27374  -0.12861   0.52280 
C460   C     1.28809  -0.15619   0.52177 
C461   C     0.67771   0.39413   0.51464 
C462   C     0.67780   0.44347   0.51455 
C463   C     0.72424   0.39263   0.52072 
C464   C     0.66231   0.42733   0.51288 
H211   H     0.63859   0.44092   0.50929 
C465   C     0.70887   0.42567   0.51866 
H212   H     0.72148   0.43752   0.51973 
C466   C     0.70878   0.37695   0.51874 
H213   H     0.72132   0.35148   0.51990 
C467   C     1.46589  -0.23620   0.35573 
C468   C     1.47142  -0.18943   0.35418 
C469   C     1.46562  -0.23580   0.40510 
C470   C     1.46967  -0.20508   0.33850 
H214   H     1.47075  -0.19265   0.31301 
C471   C     1.46936  -0.20466   0.38729 
H215   H     1.47021  -0.19192   0.39916 
C472   C     1.46424  -0.25147   0.38894 
H216   H     1.46094  -0.27525   0.40254 
C473   C     0.59770   0.26539   0.48128 
C474   C     0.59623   0.31218   0.48673 
C475   C     0.54684   0.31203   0.48671 
C476   C     0.61340   0.28095   0.48311 
H217   H     0.63884   0.26837   0.48225 
C477   C     0.56306   0.32766   0.48806 
H218   H     0.54955   0.35159   0.49109 
C478   C     0.56463   0.28079   0.48312 
H219   H     0.55274   0.26808   0.48227 
C479   C     1.35473  -0.44647   0.72747 
C480   C     1.30536  -0.44664   0.72748 
C481   C     1.30362  -0.44038   0.77408 
C482   C     1.33863  -0.44827   0.71205 
H220   H     1.35233  -0.45183   0.68828 
C483   C     1.28799  -0.44255   0.75863 
H221   H     1.26243  -0.44140   0.77115 
C484   C     1.33680  -0.44237   0.75860 
H222   H     1.34862  -0.44109   0.77111 
C485   C     0.59720  -0.48118   0.64716 
C486   C     0.59573  -0.47474   0.59591 
C487   C     0.54606  -0.47436   0.64514 
C488   C     0.61300  -0.47919   0.61404 
H223   H     0.63865  -0.48064   0.60239 
C489   C     0.56230  -0.47263   0.61182 
H224   H     0.54864  -0.46875   0.59798 
C490   C     0.56396  -0.47878   0.66263 
H225   H     0.55205  -0.47990   0.68818 
C491   C     1.22527  -0.47427   0.64381 
C492   C     1.22548  -0.47462   0.59440 
C493   C     1.17898  -0.48085   0.64544 
C494   C     1.24080  -0.47259   0.61049 
H226   H     1.26446  -0.46880   0.59680 
C495   C     1.19447  -0.47894   0.61235 
H227   H     1.18199  -0.48032   0.60058 
C496   C     1.19425  -0.47855   0.66109 
H228   H     1.18159  -0.47962   0.68662 
C497   C     1.30475   0.39256   0.51960 
C498   C     1.30663   0.44347   0.51321 
C499   C     1.35579   0.39399   0.51377 
C500   C     1.28926   0.42568   0.51725 
H229   H     1.26382   0.43758   0.51809 
C501   C     1.33982   0.42725   0.51183 
H230   H     1.35355   0.44081   0.50831 
C502   C     1.33778   0.37680   0.51788 
H231   H     1.34946   0.35126   0.51928 
C503   C     1.30581  -0.18929   0.35392 
C504   C     1.35655  -0.23596   0.35569 
C505   C     1.30698  -0.23552   0.40495 
C506   C     1.33891  -0.20491   0.33836 
H232   H     1.35092  -0.19254   0.31285 
C507   C     1.34021  -0.25115   0.38890 
H233   H     1.35369  -0.27486   0.40257 
C508   C     1.28994  -0.20446   0.38703 
H234   H     1.26443  -0.19175   0.39881 
O81    O     0.59679  -0.41707   0.31917 
O82    O     0.64227  -0.41715   0.27334 
C509   C     0.61313  -0.40244   0.28994 
O83    O     0.63466  -0.45437   0.35627 
O84    O     0.68026  -0.45458   0.31056 
C510   C     0.66389  -0.45247   0.33975 
Cu21   Cu    0.61106  -0.46189   0.34233 
Cu22   Cu    0.66608  -0.46221   0.28701 
O85    O     0.63405   0.49320   0.35663 
O86    O     0.67963   0.49276   0.31089 
O87    O     0.59622  -0.46950   0.31958 
O88    O     0.64176  -0.46988   0.27380 
C511   C     0.66307   0.47828   0.34013 
C512   C     0.61252  -0.47181   0.29051 
H235   H     0.81710  -0.17927   0.86810 
C513   C     0.77190  -0.13810   0.87178 
C514   C     0.75623  -0.10532   0.85545 
H236   H     0.73080  -0.09290   0.86770 
C515   C     0.77284  -0.08872   0.82313 
C516   C     0.80552  -0.10537   0.80713 
H237   H     0.81856  -0.09272   0.78228 
C517   C     0.82160  -0.13816   0.82306 
C518   C     0.80453  -0.15434   0.85532 
C519   C     0.75948  -0.04315   0.77297 
H238   H     0.77383  -0.06023   0.75934 
C520   C     0.74373  -0.01033   0.75718 
H239   H     0.74632  -0.00243   0.73160 
C521   C     0.72461   0.01212   0.77440 
C522   C     0.72123   0.00166   0.80749 
H240   H     0.70655   0.01891   0.82097 
C523   C     0.73688  -0.03115   0.82335 
H241   H     0.73432  -0.03868   0.84884 
C524   C     0.75617  -0.05392   0.80626 
C525   C     0.75722  -0.18805   0.91608 
H242   H     0.77143  -0.20103   0.89842 
C526   C     0.74133  -0.20430   0.94875 
H243   H     0.74369  -0.22961   0.95598 
C527   C     0.72262  -0.18795   0.97195 
C528   C     0.71967  -0.15526   0.96239 
H244   H     0.70537  -0.14253   0.98028 
C529   C     0.73548  -0.13895   0.92974 
H245   H     0.73346  -0.11387   0.92298 
C530   C     0.75449  -0.15520   0.90625 
C531   C     0.86650  -0.18804   0.80851 
H246   H     0.84882  -0.20088   0.82191 
C532   C     0.89938  -0.20426   0.79293 
H247   H     0.90675  -0.22941   0.79468 
C533   C     0.92258  -0.18803   0.77510 
C534   C     0.91281  -0.15550   0.77284 
H248   H     0.93066  -0.14281   0.75917 
C535   C     0.87993  -0.13922   0.78834 
H249   H     0.87294  -0.11422   0.78675 
C536   C     0.85642  -0.15532   0.80634 
C537   C     0.70669  -0.20476   0.00567 
C538   C     0.69340  -0.21878   0.03397 
C539   C     0.70832   0.04582   0.75814 
C540   C     0.69460   0.07400   0.74445 
C541   C     0.95638  -0.20467   0.75901 
C542   C     0.98469  -0.21853   0.74541 
C543   C     0.64987  -0.21766   0.08775 
H250   H     0.64034  -0.19110   0.07798 
C544   C     0.63421  -0.23405   0.12045 
H251   H     0.61265  -0.22008   0.13572 
C545   C     0.64625  -0.26839   0.13324 
C546   C     0.67408  -0.28627   0.11330 
H252   H     0.68348  -0.31284   0.12301 
C547   C     0.68974  -0.26988   0.08061 
H253   H     0.71118  -0.28388   0.06529 
C548   C     0.67758  -0.23556   0.06774 
C549   C     1.03900  -0.21675   0.70340 
H254   H     1.02975  -0.19019   0.69614 
C550   C     1.07160  -0.23274   0.68694 
H255   H     1.08732  -0.21844   0.66706 
C551   C     1.08373  -0.26705   0.69603 
C552   C     1.06322  -0.28533   0.72177 
H256   H     1.07242  -0.31188   0.72894 
C553   C     1.03063  -0.26935   0.73824 
H257   H     1.01488  -0.28365   0.75804 
C554   C     1.01842  -0.23502   0.72898 
C555   C     0.64475   0.12300   0.74332 
H258   H     0.63127   0.10982   0.76757 
C556   C     0.62859   0.15547   0.72719 
H259   H     0.60273   0.16716   0.73910 
C557   C     0.64572   0.17262   0.69569 
C558   C     0.67913   0.15723   0.68046 
H260   H     0.69253   0.17028   0.65607 
C559   C     0.69530   0.12475   0.69661 
H261   H     0.72108   0.11296   0.68459 
C560   C     0.67812   0.10756   0.72804 
C561   C     0.62964  -0.28532   0.16656 
C562   C     0.61550  -0.29961   0.19430 
C563   C     1.11697  -0.28351   0.67864 
C564   C     1.14466  -0.29758   0.66403 
C565   C     0.62885   0.20571   0.67873 
C566   C     0.61455   0.23325   0.66436 
O89    O     1.40678  -0.45506   0.30959 
O90    O     1.40612  -0.45481   0.35546 
C567   C     1.39168  -0.45289   0.33875 
O91    O     1.45974   0.49233   0.31030 
O92    O     1.45879   0.49284   0.35618 
C568   C     1.46138   0.47787   0.33960 
Cu23   Cu    1.45214  -0.46262   0.28635 
Cu24   Cu    1.45108  -0.46224   0.34187 
O93    O     1.49724  -0.47014   0.27331 
O94    O     0.49626  -0.46972   0.31926 
O95    O     1.44435  -0.41751   0.27287 
O96    O     1.44359  -0.41742   0.31887 
C569   C     0.51152  -0.47202   0.29017 
C570   C     1.44189  -0.40277   0.28963 
H262   H     1.43277  -0.17799   0.86822 
C571   C     1.43132  -0.13686   0.87362 
C572   C     1.43084  -0.10417   0.85783 
H263   H     1.43060  -0.09192   0.87093 
C573   C     1.43042  -0.08711   0.82536 
C574   C     1.43060  -0.10322   0.80866 
H264   H     1.42925  -0.08994   0.78400 
C575   C     1.43105  -0.13590   0.82405 
C576   C     1.43152  -0.15252   0.85649 
C577   C     1.44840  -0.04119   0.77590 
H265   H     1.46492  -0.05806   0.76205 
C578   C     1.44686  -0.00831   0.76047 
H266   H     1.46190  -0.00014   0.73492 
C579   C     1.42603   0.01389   0.77796 
C580   C     1.40683   0.00309   0.81099 
H267   H     1.39058   0.02016   0.82466 
C581   C     1.40837  -0.02981   0.82650 
H268   H     1.39293  -0.03758   0.85192 
C582   C     1.42914  -0.05229   0.80908 
C583   C     1.41089  -0.17408   0.93090 
H269   H     1.39502  -0.17621   0.92354 
C584   C     1.41041  -0.19047   0.96352 
H270   H     1.39450  -0.20524   0.98082 
C585   C     1.43022  -0.18762   0.97380 
C586   C     1.45064  -0.16844   0.95130 
H271   H     1.46619  -0.16628   0.95905 
C587   C     1.45113  -0.15197   0.91865 
H272   H     1.46737  -0.13754   0.90149 
C588   C     1.43118  -0.15456   0.90813 
C589   C     1.41073  -0.17244   0.82296 
H273   H     1.39521  -0.17544   0.84850 
C590   C     1.41032  -0.18819   0.80645 
H274   H     1.39486  -0.20339   0.81947 
C591   C     1.42971  -0.18428   0.77329 
C592   C     1.44953  -0.16454   0.75665 
H275   H     1.46472  -0.16153   0.73100 
C593   C     1.44998  -0.14875   0.77311 
H276   H     1.46585  -0.13397   0.75996 
C594   C     1.43059  -0.15256   0.80647 
C595   C     1.42950  -0.20432   1.00743 
C596   C     1.42889  -0.21829   0.03562 
C597   C     1.42440   0.04773   0.76190 
C598   C     1.42332   0.07600   0.74817 
C599   C     1.42944  -0.20075   0.75647 
C600   C     1.42927  -0.21472   0.74251 
C601   C     1.42745  -0.21874   0.08612 
H277   H     1.42714  -0.19355   0.07403 
C602   C     1.42729  -0.23511   0.11866 
H278   H     1.42691  -0.22248   0.13149 
C603   C     1.42791  -0.26775   0.13441 
C604   C     1.42857  -0.28395   0.11759 
H279   H     1.42919  -0.30924   0.12958 
C605   C     1.42873  -0.26758   0.08504 
H280   H     1.42942  -0.28032   0.07212 
C606   C     1.42824  -0.23498   0.06924 
C607   C     1.45365  -0.23404   0.69563 
H281   H     1.47259  -0.22311   0.68444 
C608   C     1.45384  -0.25080   0.67971 
H282   H     1.47292  -0.25271   0.65633 
C609   C     1.42955  -0.26514   0.69406 
C610   C     1.40503  -0.26263   0.72435 
H283   H     1.38620  -0.27369   0.73560 
C611   C     1.40485  -0.24586   0.74027 
H284   H     1.38587  -0.24409   0.76374 
C612   C     1.42919  -0.23159   0.72595 
C613   C     1.42637   0.12511   0.74570 
H285   H     1.42958   0.11205   0.76960 
C614   C     1.42657   0.15746   0.72893 
H286   H     1.42995   0.16916   0.73997 
C615   C     1.42288   0.17440   0.69782 
C616   C     1.41864   0.15901   0.68368 
H287   H     1.41587   0.17191   0.65960 
C617   C     1.41842   0.12667   0.70048 
H288   H     1.41542   0.11483   0.68927 
C618   C     1.42245   0.10961   0.73144 
C619   C     1.42875  -0.28486   0.16750 
C620   C     1.43000  -0.29929   0.19504 
C621   C     1.43003  -0.28260   0.67773 
C622   C     1.43090  -0.29723   0.66375 
C623   C     1.42446   0.20717   0.68003 
C624   C     1.42641   0.23439   0.66508 
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     Cu1     1.877   .     S
O1     C1      1.287   .     A
O2     Cu2     1.868   .     S
O2     C1      1.287   .     A
C1     C504    1.482   .     S
O3     Cu1     1.879   .     S
O3     C2      1.288   .     A
O4     Cu2     1.868   .     S
O4     C2      1.286   .     A
C2     C270    1.482   .     S
Cu1    Cu2     2.739   .     S
Cu1    O5      1.877   .     S
Cu1    O7      1.879   .     S
Cu2    O6      1.869   1_655 S
Cu2    O8      1.868   .     S
O5     C3      1.287   1_655 A
O6     Cu2     1.869   1_455 S
O6     C3      1.287   .     A
O7     C4      1.288   .     A
O8     C4      1.287   .     A
C3     C159    1.482   .     S
C3     O5      1.287   1_455 A
C4     C467    1.482   .     S
O9     Cu3     1.879   .     S
O9     C5      1.288   .     A
O10    Cu4     1.866   .     S
O10    C5      1.286   .     A
C5     C189    1.482   .     S
O11    Cu3     1.878   .     S
O11    C6      1.288   .     A
O12    Cu4     1.868   .     S
O12    C6      1.287   .     A
C6     C469    1.483   .     S
Cu3    Cu4     2.739   .     S
Cu3    O13     1.879   1_655 S
Cu3    O15     1.877   .     S
Cu4    O14     1.867   1_655 S
Cu4    O16     1.867   .     S
O13    Cu3     1.879   1_455 S
O13    C7      1.288   .     A
O14    Cu4     1.867   1_455 S
O14    C7      1.286   .     A
O15    C8      1.287   .     A
O16    C8      1.286   .     A
C7     C183    1.482   .     S
C8     C171    1.482   .     S
H1     C14     1.082   .     S
C9     C26     1.485   .     S
C9     C10     1.401   .     A
C9     C14     1.400   .     A
C10    H2      1.083   .     S
C10    C11     1.482   .     S
C11    C20     1.483   .     S
C11    C12     1.401   .     A
C12    H3      1.083   .     S
C12    C13     1.401   .     A
C13    C32     1.482   .     S
C13    C14     1.481   .     S
C15    H4      1.083   .     S
C15    C16     1.399   .     A
C15    C20     1.407   .     A
C16    H5      1.083   .     S
C16    C17     1.399   .     A
C17    C18     1.399   .     A
C17    C35     1.439   .     S
C18    H6      1.083   .     S
C18    C19     1.399   .     A
C19    H7      1.083   .     S
C19    C20     1.406   .     A
C21    H8      1.083   .     S
C21    C22     1.399   .     A
C21    C26     1.407   .     A
C22    H9      1.083   .     S
C22    C23     1.399   .     A
C23    C33     1.439   .     S
C23    C24     1.399   .     A
C24    H10     1.084   .     S
C24    C25     1.399   .     A
C25    H11     1.083   .     S
C25    C26     1.407   .     A
C27    H12     1.083   .     S
C27    C28     1.399   .     A
C27    C32     1.406   .     A
C28    H13     1.084   .     S
C28    C29     1.399   .     A
C29    C37     1.438   1_554 S
C29    C30     1.399   .     A
C30    H14     1.083   .     S
C30    C31     1.398   .     A
C31    H15     1.083   .     S
C31    C32     1.407   .     A
C33    C34     1.206   .     T
C34    C44     1.439   .     S
C35    C36     1.206   .     T
C36    C56     1.439   .     S
C37    C29     1.438   1_556 S
C37    C38     1.205   .     T
C38    C50     1.437   .     S
C39    H16     1.083   .     S
C39    C40     1.400   .     A
C39    C44     1.401   .     A
C40    H17     1.083   .     S
C40    C41     1.401   .     A
C41    C57     1.439   .     S
C41    C42     1.401   .     A
C42    H18     1.083   .     S
C42    C43     1.400   .     A
C43    H19     1.084   .     S
C43    C44     1.401   .     A
C45    H20     1.083   .     S
C45    C46     1.399   .     A
C45    C50     1.401   .     A
C46    H21     1.083   .     S
C46    C47     1.400   .     A
C47    C59     1.437   .     S
C47    C48     1.401   .     A
C48    H22     1.083   .     S
C48    C49     1.399   .     A
C49    H23     1.083   .     S
C49    C50     1.401   .     A
C51    H24     1.083   .     S
C51    C52     1.399   .     A
C51    C56     1.401   .     A
C52    H25     1.083   .     S
C52    C53     1.401   .     A
C53    C61     1.439   .     S
C53    C54     1.401   .     A
C54    H26     1.083   .     S
C54    C55     1.400   .     A
C55    H27     1.083   .     S
C55    C56     1.401   .     A
C57    C58     1.206   .     T
C58    C468    1.440   .     S
C59    C60     1.204   .     T
C60    C195    1.437   .     S
C61    C62     1.206   .     T
C62    C151    1.439   .     S
O17    Cu5     1.878   .     S
O17    C63     1.287   .     A
O18    Cu6     1.868   .     S
O18    C63     1.287   .     A
C63    C505    1.482   .     S
O19    Cu5     1.880   .     S
O19    C64     1.288   .     A
O20    Cu6     1.866   .     S
O20    C64     1.286   .     A
C64    C187    1.482   .     S
Cu5    Cu6     2.738   .     S
Cu5    O21     1.878   .     S
Cu5    O23     1.881   .     S
Cu6    O22     1.868   .     S
Cu6    O24     1.866   .     S
O21    C65     1.287   .     A
O22    C65     1.287   .     A
O23    C66     1.288   .     A
O24    C66     1.286   .     A
C65    C139    1.482   .     S
C66    C200    1.483   .     S
H28    C72     1.082   .     S
C67    C84     1.485   .     S
C67    C68     1.401   .     A
C67    C72     1.401   .     A
C68    H29     1.082   .     S
C68    C69     1.481   .     S
C69    C78     1.483   .     S
C69    C70     1.400   .     A
C70    H30     1.083   .     S
C70    C71     1.401   .     A
C71    C90     1.483   .     S
C71    C72     1.481   .     S
C73    H31     1.083   .     S
C73    C74     1.399   .     A
C73    C78     1.407   .     A
C74    H32     1.083   .     S
C74    C75     1.399   .     A
C75    C76     1.399   .     A
C75    C93     1.439   .     S
C76    H33     1.083   .     S
C76    C77     1.399   .     A
C77    C78     1.406   .     A
C77    H34     1.083   .     S
C79    H35     1.083   .     S
C79    C80     1.399   .     A
C79    C84     1.407   .     A
C80    H36     1.083   .     S
C80    C81     1.399   .     A
C81    C91     1.439   .     S
C81    C82     1.399   .     A
C82    H37     1.084   .     S
C82    C83     1.399   .     A
C83    H38     1.083   .     S
C83    C84     1.407   .     A
C85    C86     1.399   .     A
C85    C90     1.406   .     A
C85    H39     1.083   .     S
C86    H40     1.083   .     S
C86    C87     1.399   .     A
C87    C95     1.439   1_554 S
C87    C88     1.399   .     A
C88    H41     1.083   .     S
C88    C89     1.398   .     A
C89    H42     1.083   .     S
C89    C90     1.407   .     A
C91    C92     1.206   .     T
C92    C102    1.439   .     S
C93    C94     1.206   .     T
C94    C114    1.439   .     S
C95    C87     1.439   1_556 S
C95    C96     1.206   .     T
C96    C108    1.439   .     S
C97    H43     1.083   .     S
C97    C98     1.400   .     A
C97    C102    1.401   .     A
C98    H44     1.083   .     S
C98    C99     1.401   .     A
C99    C115    1.439   .     S
C99    C100    1.401   .     A
C100   H45     1.083   .     S
C100   C101    1.400   .     A
C101   H46     1.083   .     S
C101   C102    1.401   .     A
C103   H47     1.083   .     S
C103   C104    1.400   .     A
C103   C108    1.401   .     A
C104   H48     1.083   .     S
C104   C105    1.401   .     A
C105   C117    1.439   .     S
C105   C106    1.401   .     A
C106   H49     1.083   .     S
C106   C107    1.400   .     A
C107   H50     1.083   .     S
C107   C108    1.401   .     A
C109   H51     1.083   .     S
C109   C110    1.400   .     A
C109   C114    1.401   .     A
C110   H52     1.083   .     S
C110   C111    1.401   .     A
C111   C119    1.439   .     S
C111   C112    1.401   .     A
C112   H53     1.083   .     S
C112   C113    1.400   .     A
C113   H54     1.083   .     S
C113   C114    1.401   .     A
C115   C116    1.206   .     T
C116   C503    1.440   .     S
C117   C118    1.206   .     T
C118   C207    1.439   .     S
C119   C120    1.206   .     T
C120   C122    1.439   .     S
C121   C511    1.483   .     S
C121   C124    1.406   .     A
C121   C126    1.409   .     A
C122   C124    1.398   .     A
C122   C125    1.398   .     A
C123   C211    1.483   .     S
C123   C125    1.406   .     A
C123   C126    1.409   .     A
C124   H55     1.083   .     S
C125   H56     1.083   .     S
C126   H57     1.082   .     S
C127   C266    1.442   .     S
C127   C130    1.399   .     A
C127   C132    1.400   .     A
C128   C510    1.483   .     S
C128   C130    1.406   .     A
C128   C131    1.408   .     A
C129   C278    1.484   .     S
C129   C131    1.408   .     A
C129   C132    1.407   .     A
C130   H58     1.083   .     S
C131   H59     1.082   .     S
C132   H60     1.083   .     S
C133   C512    1.483   .     S
C133   C136    1.405   .     A
C133   C138    1.410   .     A
C134   C328    1.437   .     S
C134   C136    1.397   .     A
C134   C137    1.397   .     A
C135   C569    1.483   .     S
C135   C137    1.406   .     A
C135   C138    1.410   .     A
C136   H61     1.083   .     S
C137   H62     1.083   .     S
C138   H63     1.082   .     S
C139   C142    1.408   .     A
C139   C144    1.406   .     A
C140   C333    1.482   .     S
C140   C142    1.408   .     A
C140   C143    1.406   .     A
C141   C564    1.439   .     S
C141   C143    1.398   .     A
C141   C144    1.398   .     A
C142   H64     1.082   .     S
C143   H65     1.083   .     S
C144   H66     1.083   .     S
C145   C213    1.483   .     S
C145   C148    1.406   .     A
C145   C150    1.408   .     A
C146   C566    1.440   .     S
C146   C148    1.399   .     A
C146   C149    1.399   .     A
C147   C339    1.483   .     S
C147   C149    1.406   .     A
C147   C150    1.408   .     A
C148   H67     1.083   .     S
C149   H68     1.083   .     S
C150   H69     1.082   .     S
C151   C154    1.398   .     A
C151   C156    1.398   .     A
C152   C568    1.483   .     S
C152   C154    1.406   .     A
C152   C155    1.409   .     A
C153   C342    1.483   .     S
C153   C155    1.409   .     A
C153   C156    1.406   .     A
C154   H70     1.083   .     S
C155   H71     1.082   .     S
C156   H72     1.083   .     S
C157   C562    1.438   .     S
C157   C160    1.398   .     A
C157   C162    1.397   .     A
C158   C509    1.482   .     S
C158   C160    1.406   .     A
C158   C161    1.409   .     A
C159   C161    1.408   .     A
C159   C162    1.406   .     A
C160   H73     1.083   .     S
C161   H74     1.082   .     S
C162   H75     1.083   .     S
C163   C567    1.483   .     S
C163   C166    1.406   .     A
C163   C168    1.407   .     A
C164   C264    1.442   .     S
C164   C166    1.400   .     A
C164   C167    1.400   .     A
C165   C348    1.484   .     S
C165   C167    1.407   .     A
C165   C168    1.407   .     A
C166   H76     1.083   .     S
C167   H77     1.083   .     S
C168   H78     1.082   .     S
C169   C352    1.483   .     S
C169   C172    1.406   .     A
C169   C174    1.408   .     A
C170   C622    1.439   .     S
C170   C172    1.399   .     A
C170   C173    1.398   .     A
C171   C173    1.405   .     A
C171   C174    1.408   .     A
C172   H79     1.083   .     S
C173   H80     1.083   .     S
C174   H81     1.082   .     S
C175   C624    1.440   .     S
C175   C178    1.398   .     A
C175   C180    1.399   .     A
C176   C338    1.482   .     S
C176   C178    1.406   .     A
C176   C179    1.408   .     A
C177   C344    1.483   .     S
C177   C179    1.408   .     A
C177   C180    1.407   .     A
C178   H82     1.083   .     S
C179   H83     1.082   .     S
C180   H84     1.083   .     S
C181   C275    1.483   .     S
C181   C184    1.406   .     A
C181   C186    1.409   .     A
C182   C402    1.438   .     S
C182   C184    1.398   .     A
C182   C185    1.398   .     A
C183   C185    1.405   .     A
C183   C186    1.409   .     A
C184   H85     1.083   .     S
C185   H86     1.083   .     S
C186   H87     1.082   .     S
C187   C190    1.406   .     A
C187   C192    1.409   .     A
C188   C460    1.438   .     S
C188   C190    1.398   .     A
C188   C191    1.398   .     A
C189   C191    1.406   .     A
C189   C192    1.408   .     A
C190   H88     1.083   .     S
C191   H89     1.083   .     S
C192   H90     1.082   .     S
C193   C340    1.482   .     S
C193   C196    1.409   .     A
C193   C198    1.405   .     A
C194   C350    1.482   .     S
C194   C196    1.409   .     A
C194   C197    1.406   .     A
C195   C197    1.397   .     A
C195   C198    1.397   .     A
C196   H91     1.082   .     S
C197   H92     1.083   .     S
C198   H93     1.083   .     S
C199   C345    1.483   .     S
C199   C202    1.409   .     A
C199   C204    1.405   .     A
C200   C202    1.409   .     A
C200   C203    1.405   .     A
C201   C406    1.438   .     S
C201   C203    1.398   .     A
C201   C204    1.398   .     A
C202   H94     1.082   .     S
C203   H95     1.083   .     S
C204   H96     1.083   .     S
C205   C335    1.483   .     S
C205   C208    1.409   .     A
C205   C210    1.406   .     A
C206   C337    1.483   .     S
C206   C208    1.409   .     A
C206   C209    1.406   .     A
C207   C209    1.398   .     A
C207   C210    1.398   .     A
C208   H97     1.082   .     S
C209   H98     1.083   .     S
C210   H99     1.083   .     S
O25    Cu7     1.869   .     S
O25    C211    1.286   .     A
O26    Cu8     1.879   .     S
O26    C211    1.288   .     A
O27    Cu7     1.867   .     S
O27    C212    1.286   .     A
O28    Cu8     1.880   .     S
O28    C212    1.288   .     A
C212   C461    1.483   .     S
Cu7    Cu8     2.738   .     S
Cu7    O29     1.868   .     S
Cu7    O31     1.868   .     S
Cu8    O30     1.879   .     S
Cu8    O32     1.881   .     S
O29    C213    1.286   .     A
O30    C213    1.288   .     A
O31    C214    1.286   .     A
O32    C214    1.288   .     A
C214   C474    1.484   .     S
H100   C220    1.083   .     S
C215   C232    1.488   .     S
C215   C216    1.406   .     A
C215   C220    1.405   .     A
C216   H101    1.083   .     S
C216   C217    1.406   .     A
C217   C226    1.489   .     S
C217   C218    1.406   .     A
C218   H102    1.083   .     S
C218   C219    1.405   .     A
C219   C238    1.488   .     S
C219   C220    1.405   .     A
C221   H103    1.083   .     S
C221   C222    1.400   .     A
C221   C226    1.408   .     A
C222   H104    1.083   .     S
C222   C223    1.401   .     A
C223   C241    1.498   1_554 S
C223   C224    1.400   .     A
C224   H105    1.083   .     S
C224   C225    1.400   .     A
C225   H106    1.083   .     S
C225   C226    1.407   .     A
C227   H107    1.083   .     S
C227   C228    1.400   .     A
C227   C232    1.408   .     A
C228   H108    1.083   .     S
C228   C229    1.400   .     A
C229   C239    1.442   .     S
C229   C230    1.400   .     A
C230   H109    1.083   1_545 S
C230   C231    1.401   .     A
H109   C230    1.083   1_565 S
C231   H110    1.083   1_545 S
C231   C232    1.407   .     A
H110   C231    1.083   1_565 S
C233   H111    1.083   .     S
C233   C234    1.400   .     A
C233   C238    1.407   .     A
C234   H112    1.083   .     S
C234   C235    1.400   .     A
C235   C243    1.442   .     S
C235   C236    1.400   .     A
C236   H113    1.083   1_545 S
C236   C237    1.400   .     A
H113   C236    1.083   1_565 S
C237   H114    1.083   1_545 S
C237   C238    1.407   .     A
H114   C237    1.083   1_565 S
C239   C240    1.208   .     T
C240   C250    1.442   .     S
C241   C223    1.498   1_556 S
C241   C242    1.522   .     S
C242   C262    1.497   .     S
C243   C244    1.207   .     T
C244   C256    1.442   .     S
C245   H115    1.083   .     S
C245   C246    1.401   .     A
C245   C250    1.401   .     A
C246   H116    1.083   .     S
C246   C247    1.401   .     A
C247   C263    1.442   .     S
C247   C248    1.401   .     A
C248   H117    1.083   .     S
C248   C249    1.401   .     A
C249   H118    1.083   .     S
C249   C250    1.402   .     A
C251   H119    1.083   .     S
C251   C252    1.401   .     A
C251   C256    1.401   .     A
C252   H120    1.083   .     S
C252   C253    1.401   .     A
C253   C265    1.442   .     S
C253   C254    1.401   .     A
C254   H121    1.083   .     S
C254   C255    1.401   .     A
C255   H122    1.083   .     S
C255   C256    1.402   .     A
C257   H123    1.083   .     S
C257   C258    1.400   .     A
C257   C262    1.401   .     A
C258   H124    1.083   .     S
C258   C259    1.401   .     A
C259   C267    1.442   .     S
C259   C260    1.401   .     A
C260   H125    1.083   .     S
C260   C261    1.401   .     A
C261   H126    1.083   .     S
C261   C262    1.404   .     A
C263   C264    1.207   .     T
C265   C266    1.207   .     T
C267   C268    1.207   .     T
C268   C481    1.442   .     S
C269   C570    1.482   .     S
C269   C272    1.409   .     A
C269   C274    1.406   .     A
C270   C272    1.408   .     A
C270   C273    1.406   .     A
C271   C620    1.438   .     S
C271   C273    1.398   .     A
C271   C274    1.398   .     A
C272   H127    1.082   .     S
C273   H128    1.083   .     S
C274   H129    1.083   .     S
O33    Cu9     1.866   .     S
O33    C275    1.286   .     A
O34    Cu10    1.882   .     S
O34    C275    1.288   .     A
O35    Cu9     1.869   .     S
O35    C276    1.286   .     A
O36    Cu10    1.879   .     S
O36    C276    1.288   .     A
C276   C486    1.483   .     S
Cu9    Cu10    2.738   .     S
Cu9    O37     1.867   1_545 S
Cu9    O39     1.869   .     S
Cu10   O38     1.881   1_545 S
Cu10   O40     1.880   .     S
O37    Cu9     1.867   1_565 S
O37    C277    1.286   .     A
O38    Cu10    1.881   1_565 S
O38    C277    1.288   .     A
O39    C278    1.287   .     A
O40    C278    1.287   .     A
C277   C462    1.483   .     S
H130   C284    1.083   .     S
C279   C296    1.483   .     S
C279   C280    1.404   .     A
C279   C284    1.404   .     A
C280   H131    1.083   .     S
C280   C281    1.404   .     A
C281   C290    1.484   .     S
C281   C282    1.404   .     A
C282   H132    1.083   .     S
C282   C283    1.404   .     A
C283   C302    1.484   .     S
C283   C284    1.404   .     A
C285   H133    1.083   .     S
C285   C286    1.399   .     A
C285   C290    1.407   .     A
C286   H134    1.084   .     S
C286   C287    1.399   .     A
C287   C305    1.438   .     S
C287   C288    1.399   1_545 A
C288   H135    1.083   .     S
C288   C287    1.399   1_565 A
C288   C289    1.399   .     A
C289   H136    1.083   .     S
C289   C290    1.407   1_565 A
C290   C289    1.407   1_545 A
C291   H137    1.083   .     S
C291   C292    1.398   .     A
C291   C296    1.407   .     A
C292   H138    1.083   .     S
C292   C293    1.399   .     A
C293   C294    1.399   1_545 A
C293   C303    1.437   1_556 S
C294   H139    1.083   .     S
C294   C293    1.399   1_565 A
C294   C295    1.398   .     A
C295   H140    1.083   .     S
C295   C296    1.407   1_565 A
C296   C295    1.407   1_545 A
C297   H141    1.083   .     S
C297   C298    1.398   .     A
C297   C302    1.407   .     A
C298   H142    1.084   .     S
C298   C299    1.399   .     A
C299   C300    1.399   1_545 A
C299   C307    1.438   .     S
C300   H143    1.083   .     S
C300   C299    1.399   1_565 A
C300   C301    1.399   .     A
C301   H144    1.083   .     S
C301   C302    1.407   1_565 A
C302   C301    1.407   1_545 A
C303   C304    1.205   .     T
C303   C293    1.437   1_554 S
C304   C314    1.437   .     S
C305   C306    1.205   .     T
C306   C326    1.438   .     S
C307   C308    1.205   .     T
C308   C320    1.438   .     S
C309   H145    1.083   1_545 S
C309   C310    1.399   .     A
C309   C314    1.401   .     A
H145   C309    1.083   1_565 S
C310   H146    1.083   1_545 S
C310   C311    1.400   .     A
H146   C310    1.083   1_565 S
C311   C327    1.437   .     S
C311   C312    1.400   .     A
C312   H147    1.083   .     S
C312   C313    1.399   .     A
C313   H148    1.083   .     S
C313   C314    1.401   .     A
C315   H149    1.083   .     S
C315   C316    1.399   .     A
C315   C320    1.401   .     A
C316   H150    1.083   .     S
C316   C317    1.401   .     A
C317   C329    1.437   .     S
C317   C318    1.401   .     A
C318   H151    1.083   .     S
C318   C319    1.399   .     A
C319   H152    1.083   .     S
C319   C320    1.401   .     A
C321   H153    1.083   .     S
C321   C322    1.399   .     A
C321   C326    1.401   .     A
C322   H154    1.083   .     S
C322   C323    1.401   .     A
C323   C331    1.438   .     S
C323   C324    1.401   .     A
C324   H155    1.083   .     S
C324   C325    1.399   .     A
C325   H156    1.083   .     S
C325   C326    1.401   .     A
C327   C328    1.204   .     T
C329   C330    1.205   .     T
C330   C493    1.438   .     S
C331   C332    1.205   .     T
C332   C485    1.438   .     S
O41    Cu11    1.879   .     S
O41    C333    1.288   .     A
O42    Cu12    1.867   .     S
O42    C333    1.286   .     A
O43    Cu11    1.881   .     S
O43    C334    1.288   .     A
O44    Cu12    1.868   .     S
O44    C334    1.287   .     A
C334   C480    1.484   .     S
Cu11   Cu12    2.738   .     S
Cu11   O45     1.879   1_545 S
Cu11   O47     1.880   .     S
Cu12   O46     1.868   1_545 S
Cu12   O48     1.869   .     S
O45    Cu11    1.879   1_565 S
O45    C335    1.288   .     A
O46    Cu12    1.868   1_565 S
O46    C335    1.287   .     A
O47    C336    1.288   .     A
O48    C336    1.286   .     A
C336   C491    1.483   .     S
O49    Cu13    1.869   .     S
O49    C337    1.287   .     A
O50    Cu14    1.879   .     S
O50    C337    1.288   .     A
O51    Cu13    1.867   .     S
O51    C338    1.286   .     A
O52    Cu14    1.879   .     S
O52    C338    1.288   .     A
Cu13   Cu14    2.738   .     S
Cu13   O53     1.869   .     S
Cu13   O55     1.867   .     S
Cu14   O54     1.879   1_655 S
Cu14   O56     1.879   .     S
O53    C339    1.286   1_655 A
O54    Cu14    1.879   1_455 S
O54    C339    1.288   .     A
O55    C340    1.286   .     A
O56    C340    1.288   .     A
C339   O53     1.286   1_455 A
O57    Cu15    1.866   .     S
O57    C341    1.286   .     A
O58    Cu16    1.882   .     S
O58    C341    1.288   .     A
C341   C499    1.483   .     S
O59    Cu15    1.869   .     S
O59    C342    1.287   .     A
O60    Cu16    1.879   .     S
O60    C342    1.288   .     A
Cu15   Cu16    2.738   .     S
Cu15   O61     1.867   1_655 S
Cu15   O63     1.868   .     S
Cu16   O62     1.883   .     S
Cu16   O64     1.879   .     S
O61    Cu15    1.867   1_455 S
O61    C343    1.286   .     A
O62    C343    1.288   1_655 A
O63    C344    1.287   .     A
O64    C344    1.287   .     A
C343   C475    1.483   .     S
C343   O62     1.288   1_455 A
O65    Cu17    1.882   .     S
O65    C345    1.288   .     A
O66    Cu18    1.866   .     S
O66    C345    1.286   .     A
O67    Cu17    1.878   .     S
O67    C346    1.288   .     A
O68    Cu18    1.870   .     S
O68    C346    1.286   .     A
C346   C492    1.483   .     S
Cu17   Cu18    2.738   .     S
Cu17   O69     1.882   1_545 S
Cu17   O71     1.879   .     S
Cu18   O70     1.868   1_545 S
Cu18   O72     1.869   .     S
O69    Cu17    1.882   1_565 S
O69    C347    1.288   .     A
O70    Cu18    1.868   1_565 S
O70    C347    1.286   .     A
O71    C348    1.287   .     A
O72    C348    1.287   .     A
C347   C498    1.484   .     S
O73    Cu19    1.869   .     S
O73    C349    1.287   .     A
O74    Cu20    1.879   .     S
O74    C349    1.287   .     A
C349   C479    1.483   .     S
O75    Cu19    1.867   1_565 S
O75    C350    1.286   .     A
O76    Cu20    1.880   1_565 S
O76    C350    1.288   .     A
Cu19   O75     1.867   1_545 S
Cu19   Cu20    2.738   .     S
Cu19   O77     1.869   .     S
Cu19   O79     1.866   .     S
Cu20   O76     1.880   1_545 S
Cu20   O78     1.878   1_655 S
Cu20   O80     1.881   .     S
O77    C351    1.287   1_655 A
O78    Cu20    1.878   1_455 S
O78    C351    1.288   .     A
O79    C352    1.286   .     A
O80    C352    1.288   .     A
C351   C487    1.483   .     S
C351   O77     1.287   1_455 A
H157   C358    1.083   .     S
C353   C370    1.484   .     S
C353   C354    1.403   .     A
C353   C358    1.404   .     A
C354   H158    1.083   .     S
C354   C355    1.403   .     A
C355   C364    1.483   .     S
C355   C356    1.404   .     A
C356   H159    1.083   .     S
C356   C357    1.405   .     A
C357   C376    1.485   .     S
C357   C358    1.405   .     A
C359   H160    1.083   .     S
C359   C360    1.399   .     A
C359   C364    1.406   .     A
C360   H161    1.084   .     S
C360   C361    1.399   .     A
C361   C362    1.399   .     A
C361   C379    1.438   .     S
C362   H162    1.083   .     S
C362   C363    1.399   .     A
C363   H163    1.083   .     S
C363   C364    1.407   .     A
C365   H164    1.083   .     S
C365   C366    1.399   .     A
C365   C370    1.406   .     A
C366   H165    1.083   .     S
C366   C367    1.399   .     A
C367   C377    1.438   .     S
C367   C368    1.399   .     A
C368   H166    1.084   .     S
C368   C369    1.399   .     A
C369   H167    1.083   .     S
C369   C370    1.407   .     A
C371   H168    1.083   .     S
C371   C372    1.399   .     A
C371   C376    1.407   .     A
C372   H169    1.084   .     S
C372   C373    1.399   .     A
C373   C374    1.399   .     A
C373   C381    1.438   .     S
C374   H170    1.084   .     S
C374   C375    1.399   .     A
C375   H171    1.083   .     S
C375   C376    1.407   .     A
C377   C378    1.205   .     T
C378   C388    1.438   .     S
C379   C380    1.205   .     T
C380   C400    1.438   .     S
C381   C382    1.205   .     T
C382   C394    1.439   .     S
C383   H172    1.083   .     S
C383   C384    1.399   .     A
C383   C388    1.401   .     A
C384   H173    1.083   .     S
C384   C385    1.401   .     A
C385   C401    1.438   .     S
C385   C386    1.401   .     A
C386   H174    1.083   .     S
C386   C387    1.399   .     A
C387   H175    1.083   .     S
C387   C388    1.401   .     A
C389   H176    1.083   .     S
C389   C390    1.400   .     A
C389   C394    1.401   .     A
C390   H177    1.083   .     S
C390   C391    1.401   .     A
C391   C403    1.439   .     S
C391   C392    1.401   .     A
C392   H178    1.083   .     S
C392   C393    1.399   .     A
C393   H179    1.084   .     S
C393   C394    1.401   .     A
C395   H180    1.083   .     S
C395   C396    1.399   .     A
C395   C400    1.401   .     A
C396   H181    1.083   .     S
C396   C397    1.401   .     A
C397   C405    1.438   .     S
C397   C398    1.400   .     A
C398   H182    1.083   .     S
C398   C399    1.399   .     A
C399   H183    1.083   .     S
C399   C400    1.401   .     A
C401   C402    1.205   .     T
C403   C404    1.206   .     T
C404   C473    1.439   .     S
C405   C406    1.205   .     T
H184   C412    1.083   .     S
C407   C408    1.404   .     A
C407   C424    1.484   .     S
C407   C412    1.404   .     A
C408   H185    1.083   .     S
C408   C409    1.404   .     A
C409   C418    1.483   .     S
C409   C410    1.404   .     A
C410   H186    1.083   .     S
C410   C411    1.404   .     A
C411   C430    1.484   .     S
C411   C412    1.404   .     A
C413   H187    1.083   .     S
C413   C414    1.399   .     A
C413   C418    1.407   .     A
C414   H188    1.083   .     S
C414   C415    1.399   .     A
C415   C433    1.438   .     S
C415   C416    1.399   .     A
C416   H189    1.083   .     S
C416   C417    1.399   .     A
C417   H190    1.083   .     S
C417   C418    1.406   .     A
C419   H191    1.083   .     S
C419   C420    1.398   .     A
C419   C424    1.406   .     A
C420   H192    1.083   .     S
C420   C421    1.399   .     A
C421   C431    1.438   .     S
C421   C422    1.399   .     A
C422   H193    1.084   .     S
C422   C423    1.399   .     A
C423   C424    1.407   .     A
C423   H194    1.083   .     S
C425   H195    1.083   .     S
C425   C426    1.399   .     A
C425   C430    1.406   .     A
C426   H196    1.083   .     S
C426   C427    1.399   .     A
C427   C435    1.438   .     S
C427   C428    1.399   .     A
C428   H197    1.084   .     S
C428   C429    1.399   .     A
C429   C430    1.407   .     A
C429   H198    1.083   .     S
C431   C432    1.205   .     T
C432   C442    1.438   .     S
C433   C434    1.205   .     T
C434   C454    1.438   .     S
C435   C436    1.205   .     T
C436   C448    1.438   .     S
C437   H199    1.083   .     S
C437   C438    1.399   .     A
C437   C442    1.400   .     A
C438   H200    1.083   .     S
C438   C439    1.401   .     A
C439   C455    1.439   .     S
C439   C440    1.401   .     A
C440   H201    1.083   .     S
C440   C441    1.400   .     A
C441   H202    1.083   .     S
C441   C442    1.401   .     A
C443   H203    1.083   .     S
C443   C444    1.399   .     A
C443   C448    1.401   .     A
C444   H204    1.083   .     S
C444   C445    1.401   .     A
C445   C457    1.439   .     S
C445   C446    1.401   .     A
C446   H205    1.083   .     S
C446   C447    1.400   .     A
C447   H206    1.083   .     S
C447   C448    1.401   .     A
C449   H207    1.083   .     S
C449   C450    1.399   .     A
C449   C454    1.401   .     A
C450   H208    1.083   .     S
C450   C451    1.401   .     A
C451   C459    1.438   .     S
C451   C452    1.400   .     A
C452   H209    1.083   .     S
C452   C453    1.399   .     A
C453   H210    1.083   .     S
C453   C454    1.401   .     A
C455   C456    1.205   .     T
C456   C463    1.439   .     S
C457   C458    1.205   .     T
C458   C497    1.439   .     S
C459   C460    1.205   .     T
C461   C464    1.409   .     A
C461   C466    1.406   .     A
C462   C464    1.409   .     A
C462   C465    1.406   .     A
C463   C465    1.398   .     A
C463   C466    1.398   .     A
C464   H211    1.082   .     S
C465   H212    1.083   .     S
C466   H213    1.083   .     S
C467   C470    1.406   .     A
C467   C472    1.408   .     A
C468   C470    1.398   .     A
C468   C471    1.398   .     A
C469   C471    1.406   .     A
C469   C472    1.408   .     A
C470   H214    1.083   .     S
C471   H215    1.083   .     S
C472   H216    1.082   .     S
C473   C476    1.398   .     A
C473   C478    1.398   .     A
C474   C476    1.406   .     A
C474   C477    1.409   .     A
C475   C477    1.409   .     A
C475   C478    1.406   .     A
C476   H217    1.083   .     S
C477   H218    1.082   .     S
C478   H219    1.083   .     S
C479   C482    1.407   .     A
C479   C484    1.406   .     A
C480   C482    1.408   .     A
C480   C483    1.407   .     A
C481   C483    1.400   .     A
C481   C484    1.399   .     A
C482   H220    1.082   .     S
C483   H221    1.083   .     S
C484   H222    1.083   .     S
C485   C488    1.398   .     A
C485   C490    1.398   .     A
C486   C488    1.406   .     A
C486   C489    1.409   .     A
C487   C489    1.409   .     A
C487   C490    1.406   .     A
C488   H223    1.083   .     S
C489   H224    1.082   .     S
C490   H225    1.083   .     S
C491   C494    1.410   .     A
C491   C496    1.406   .     A
C492   C494    1.410   .     A
C492   C495    1.406   .     A
C493   C495    1.397   .     A
C493   C496    1.397   .     A
C494   H226    1.082   .     S
C495   H227    1.083   .     S
C496   H228    1.083   .     S
C497   C500    1.398   .     A
C497   C502    1.398   .     A
C498   C500    1.406   .     A
C498   C501    1.409   .     A
C499   C501    1.409   .     A
C499   C502    1.406   .     A
C500   H229    1.083   .     S
C501   H230    1.082   .     S
C502   H231    1.083   .     S
C503   C506    1.398   .     A
C503   C508    1.398   .     A
C504   C506    1.406   .     A
C504   C507    1.408   .     A
C505   C507    1.408   .     A
C505   C508    1.406   .     A
C506   H232    1.083   .     S
C507   H233    1.082   .     S
C508   H234    1.083   .     S
O81    Cu21    1.867   .     S
O81    C509    1.286   .     A
O82    Cu22    1.879   .     S
O82    C509    1.288   .     A
O83    Cu21    1.868   .     S
O83    C510    1.287   .     A
O84    Cu22    1.880   .     S
O84    C510    1.288   .     A
Cu21   O85     1.868   1_545 S
Cu21   O87     1.869   .     S
Cu21   Cu22    2.738   .     S
Cu22   O86     1.879   1_545 S
Cu22   O88     1.878   .     S
O85    Cu21    1.868   1_565 S
O85    C511    1.286   .     A
O86    Cu22    1.879   1_565 S
O86    C511    1.288   .     A
O87    C512    1.286   .     A
O88    C512    1.288   .     A
H235   C518    1.083   .     S
C513   C530    1.485   .     S
C513   C514    1.405   .     A
C513   C518    1.404   .     A
C514   H236    1.083   .     S
C514   C515    1.405   .     A
C515   C524    1.486   .     S
C515   C516    1.405   .     A
C516   H237    1.083   .     S
C516   C517    1.405   .     A
C517   C536    1.485   .     S
C517   C518    1.404   .     A
C519   H238    1.083   .     S
C519   C520    1.400   .     A
C519   C524    1.407   .     A
C520   H239    1.084   .     S
C520   C521    1.399   .     A
C521   C539    1.440   .     S
C521   C522    1.399   .     A
C522   H240    1.084   .     S
C522   C523    1.399   .     A
C523   H241    1.083   .     S
C523   C524    1.407   .     A
C525   H242    1.083   .     S
C525   C526    1.399   .     A
C525   C530    1.407   .     A
C526   H243    1.084   .     S
C526   C527    1.399   .     A
C527   C537    1.439   1_556 S
C527   C528    1.399   .     A
C528   H244    1.083   .     S
C528   C529    1.399   .     A
C529   H245    1.083   .     S
C529   C530    1.407   .     A
C531   H246    1.083   .     S
C531   C532    1.399   .     A
C531   C536    1.407   .     A
C532   H247    1.083   .     S
C532   C533    1.399   .     A
C533   C541    1.439   .     S
C533   C534    1.399   .     A
C534   C535    1.399   .     A
C534   H248    1.084   .     S
C535   H249    1.083   .     S
C535   C536    1.407   .     A
C537   C527    1.439   1_554 S
C537   C538    1.205   .     T
C538   C548    1.439   .     S
C539   C540    1.206   .     T
C540   C560    1.440   .     S
C541   C542    1.206   .     T
C542   C554    1.439   .     S
C543   H250    1.083   .     S
C543   C544    1.400   .     A
C543   C548    1.401   .     A
C544   H251    1.083   .     S
C544   C545    1.401   .     A
C545   C561    1.438   .     S
C545   C546    1.401   .     A
C546   H252    1.083   .     S
C546   C547    1.399   .     A
C547   H253    1.083   .     S
C547   C548    1.401   .     A
C549   H254    1.083   .     S
C549   C550    1.400   .     A
C549   C554    1.401   .     A
C550   H255    1.083   .     S
C550   C551    1.401   .     A
C551   C563    1.439   .     S
C551   C552    1.401   .     A
C552   H256    1.083   .     S
C552   C553    1.399   .     A
C553   H257    1.083   .     S
C553   C554    1.401   .     A
C555   H258    1.083   .     S
C555   C556    1.400   .     A
C555   C560    1.401   .     A
C556   H259    1.083   .     S
C556   C557    1.401   .     A
C557   C565    1.440   .     S
C557   C558    1.401   .     A
C558   H260    1.083   .     S
C558   C559    1.400   .     A
C559   H261    1.083   .     S
C559   C560    1.401   .     A
C561   C562    1.205   .     T
C563   C564    1.205   .     T
C565   C566    1.206   .     T
O89    Cu23    1.879   .     S
O89    C567    1.287   .     A
O90    Cu24    1.868   .     S
O90    C567    1.287   .     A
O91    Cu23    1.880   1_565 S
O91    C568    1.288   .     A
O92    Cu24    1.867   1_565 S
O92    C568    1.286   .     A
Cu23   O91     1.880   1_545 S
Cu23   Cu24    2.738   .     S
Cu23   O93     1.878   .     S
Cu23   O95     1.880   .     S
Cu24   O92     1.867   1_545 S
Cu24   O94     1.869   1_655 S
Cu24   O96     1.866   .     S
O93    C569    1.288   1_655 A
O94    Cu24    1.869   1_455 S
O94    C569    1.286   .     A
O95    C570    1.288   .     A
O96    C570    1.286   .     A
C569   O93     1.288   1_455 A
H262   C576    1.083   .     S
C571   C588    1.485   .     S
C571   C572    1.405   .     A
C571   C576    1.404   .     A
C572   H263    1.083   .     S
C572   C573    1.405   .     A
C573   C582    1.486   .     S
C573   C574    1.405   .     A
C574   H264    1.083   .     S
C574   C575    1.405   .     A
C575   C594    1.485   .     S
C575   C576    1.404   .     A
C577   H265    1.083   .     S
C577   C578    1.399   .     A
C577   C582    1.407   .     A
C578   H266    1.084   .     S
C578   C579    1.399   .     A
C579   C597    1.439   .     S
C579   C580    1.399   .     A
C580   H267    1.084   .     S
C580   C581    1.399   .     A
C581   H268    1.083   .     S
C581   C582    1.407   .     A
C583   H269    1.083   .     S
C583   C584    1.399   .     A
C583   C588    1.407   .     A
C584   H270    1.083   .     S
C584   C585    1.399   .     A
C585   C595    1.439   .     S
C585   C586    1.399   .     A
C586   H271    1.083   .     S
C586   C587    1.399   .     A
C587   H272    1.083   .     S
C587   C588    1.407   .     A
C589   H273    1.083   .     S
C589   C590    1.398   .     A
C589   C594    1.407   .     A
C590   H274    1.084   .     S
C590   C591    1.399   .     A
C591   C599    1.438   .     S
C591   C592    1.399   .     A
C592   H275    1.083   .     S
C592   C593    1.399   .     A
C593   H276    1.083   .     S
C593   C594    1.407   .     A
C595   C596    1.205   1_556 T
C596   C606    1.439   .     S
C596   C595    1.205   1_554 T
C597   C598    1.206   .     T
C598   C618    1.439   .     S
C599   C600    1.205   .     T
C600   C612    1.438   .     S
C601   H277    1.083   .     S
C601   C602    1.399   .     A
C601   C606    1.401   .     A
C602   H278    1.083   .     S
C602   C603    1.400   .     A
C603   C619    1.438   .     S
C603   C604    1.401   .     A
C604   H279    1.083   .     S
C604   C605    1.399   .     A
C605   H280    1.083   .     S
C605   C606    1.401   .     A
C607   H281    1.083   .     S
C607   C608    1.399   .     A
C607   C612    1.400   .     A
C608   H282    1.083   .     S
C608   C609    1.401   .     A
C609   C621    1.438   .     S
C609   C610    1.401   .     A
C610   H283    1.083   .     S
C610   C611    1.400   .     A
C611   H284    1.083   .     S
C611   C612    1.401   .     A
C613   H285    1.083   .     S
C613   C614    1.400   .     A
C613   C618    1.401   .     A
C614   H286    1.083   .     S
C614   C615    1.401   .     A
C615   C623    1.439   .     S
C615   C616    1.401   .     A
C616   H287    1.083   .     S
C616   C617    1.400   .     A
C617   H288    1.083   .     S
C617   C618    1.401   .     A
C619   C620    1.205   .     T
C621   C622    1.205   .     T
C623   C624    1.206   .     T
