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0.00000 Uiso 1.00 O338 O 0.75530 0.30884 0.81145 0.00000 Uiso 1.00 O339 O 0.13614 0.26023 0.73830 0.00000 Uiso 1.00 O340 O 0.14938 0.26925 0.81679 0.00000 Uiso 1.00 O341 O 0.09965 0.87300 0.73558 0.00000 Uiso 1.00 O342 O 0.10829 0.76762 0.81150 0.00000 Uiso 1.00 O343 O 0.84752 0.14889 0.73835 0.00000 Uiso 1.00 O344 O 0.74656 0.16319 0.81705 0.00000 Uiso 1.00 O345 O 0.27712 0.11194 0.73626 0.00000 Uiso 1.00 O346 O 0.29531 0.12257 0.81241 0.00000 Uiso 1.00 O347 O 0.24737 0.86193 0.73998 0.00000 Uiso 1.00 O348 O 0.25538 0.76016 0.81802 0.00000 Uiso 1.00 O349 O 0.36372 0.60962 0.23705 0.00000 Uiso 1.00 O350 O 0.25882 0.61904 0.31337 0.00000 Uiso 1.00 O351 O 0.63937 0.35809 0.24082 0.00000 Uiso 1.00 O352 O 0.65357 0.25643 0.31894 0.00000 Uiso 1.00 O353 O 0.60247 0.78667 0.23695 0.00000 Uiso 1.00 O354 O 0.61088 0.80710 0.31298 0.00000 Uiso 1.00 O355 O 0.35148 0.75839 0.24117 0.00000 Uiso 1.00 O356 O 0.25037 0.76678 0.31960 0.00000 Uiso 1.00 O357 O 0.77878 0.37004 0.23760 0.00000 Uiso 1.00 O358 O 0.79781 0.26467 0.31360 0.00000 Uiso 1.00 O359 O 0.75079 0.64635 0.24105 0.00000 Uiso 1.00 O360 O 0.75780 0.66186 0.31945 0.00000 Uiso 1.00 O361 O 0.12913 0.71957 0.25100 0.00000 Uiso 1.00 O362 O 0.23370 0.69991 0.17468 0.00000 Uiso 1.00 O363 O 0.85263 0.74919 0.24744 0.00000 Uiso 1.00 O364 O 0.83917 0.74062 0.16890 0.00000 Uiso 1.00 O365 O 0.88970 0.13584 0.25035 0.00000 Uiso 1.00 O366 O 0.88112 0.24114 0.17439 0.00000 Uiso 1.00 O367 O 0.14175 0.85990 0.24758 0.00000 Uiso 1.00 O368 O 0.24302 0.84541 0.16904 0.00000 Uiso 1.00 O369 O 0.71174 0.89736 0.24952 0.00000 Uiso 1.00 O370 O 0.69287 0.88736 0.17339 0.00000 Uiso 1.00 O371 O 0.74171 0.14740 0.24580 0.00000 Uiso 1.00 O372 O 0.73379 0.24912 0.16771 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 Cu1 N323 2.129 . S Cu1 O325 1.963 . S Cu1 O331 2.027 . S Cu1 O338 2.042 . S Cu1 O344 1.951 . S Cu2 N321 2.131 . S Cu2 O329 1.972 . S Cu2 O335 1.992 . S Cu2 O340 1.970 . S Cu2 O346 2.024 . S Cu3 N319 2.130 . S Cu3 O327 2.009 . S Cu3 O333 1.963 . S Cu3 O342 2.035 . S Cu3 O348 1.972 . S Cu4 N317 2.124 . S Cu4 O326 2.027 . S Cu4 O332 1.980 . S Cu4 O337 1.971 . S Cu4 O343 1.997 . S Cu5 N315 2.123 . S Cu5 O328 1.971 . S Cu5 O334 2.036 . S Cu5 O341 1.954 . S Cu5 O347 2.008 . S Cu6 N313 2.127 . S Cu6 O330 2.037 . S Cu6 O336 1.970 . S Cu6 O339 2.012 . S Cu6 O345 1.949 . S Cu7 N311 2.131 . S Cu7 O349 1.956 . S Cu7 O355 2.024 . S Cu7 O362 2.052 . S Cu7 O368 1.958 . S Cu8 N309 2.131 . S Cu8 O353 1.969 . S Cu8 O359 2.002 . S Cu8 O364 1.979 . S Cu8 O370 2.019 . S Cu9 N307 2.129 . S Cu9 O351 2.012 . S Cu9 O357 1.962 . S Cu9 O366 2.038 . S Cu9 O372 1.970 . S Cu10 N305 2.125 . S Cu10 O350 2.030 . S Cu10 O356 1.980 . S Cu10 O361 1.968 . S Cu10 O367 1.991 . S Cu11 N303 2.124 . S Cu11 O352 1.970 . S Cu11 O358 2.036 . S Cu11 O365 1.955 . S Cu11 O371 2.008 . S Cu12 N301 2.126 . S Cu12 O354 2.040 . S Cu12 O360 1.965 . S Cu12 O363 2.008 . S Cu12 O369 1.951 . S H13 C135 1.095 . S H14 C137 1.092 . S H15 C139 1.090 . S H16 N302 1.017 . S H17 C141 1.114 . S H18 C141 1.118 . S H19 C143 1.106 . S H20 C144 1.092 . S H21 C145 1.087 . S H22 C146 1.105 . S H23 C149 1.094 . S H24 C151 1.092 . S H25 C153 1.090 . S H26 N304 1.018 . S H27 C155 1.113 . S H28 C155 1.116 . S H29 C157 1.107 . S H30 C158 1.092 . S H31 C159 1.087 . S H32 C160 1.106 1_565 S H33 C163 1.095 . S H34 C165 1.092 . S H35 C167 1.090 . S H36 N306 1.018 . S H37 C169 1.114 . S H38 C169 1.116 . S H39 C171 1.107 . S H40 C172 1.092 . S H41 C173 1.086 . S H42 C174 1.106 1_655 S H43 C177 1.094 . S H44 C179 1.092 1_455 S H45 C181 1.090 . S H46 N308 1.018 . S H47 C183 1.114 . S H48 C183 1.119 . S H49 C185 1.106 . S H50 C186 1.093 1_556 S H51 C187 1.087 . S H52 C188 1.107 . S H53 C191 1.095 . S H54 C193 1.092 1_545 S H55 C195 1.090 . S H56 N310 1.018 . S H57 C197 1.114 . S H58 C197 1.119 . S H59 C199 1.106 . S H60 C200 1.093 1_556 S H61 C201 1.087 . S H62 C202 1.107 . S H63 C205 1.094 . S H64 C207 1.091 . S H65 C209 1.091 . S H66 N312 1.017 . S H67 C211 1.113 . S H68 C211 1.119 . S H69 C213 1.106 . S H70 C214 1.093 1_556 S H71 C215 1.087 . S H72 C216 1.107 . S H73 C219 1.094 . S H74 C221 1.092 . S H75 C223 1.090 . S H76 N314 1.016 . S H77 C225 1.115 . S H78 C225 1.118 . S H79 C227 1.106 . S H80 C228 1.092 . S H81 C229 1.087 . S H82 C230 1.105 . S H83 C233 1.095 . S H84 C235 1.092 . S H85 C237 1.090 . S H86 N316 1.018 . S H87 C239 1.113 . S H88 C239 1.116 . S H89 C241 1.107 . S H90 C242 1.092 . S H91 C243 1.087 . S H92 C244 1.105 1_545 S H93 C247 1.095 . S H94 C249 1.092 . S H95 C251 1.090 . S H96 N318 1.018 . S H97 C253 1.114 . S H98 C253 1.116 . S H99 C255 1.107 . S H100 C256 1.092 . S H101 C257 1.086 . S H102 C258 1.106 1_455 S H103 C261 1.094 . S H104 C263 1.092 1_655 S H105 C265 1.090 . S H106 N320 1.018 . S H107 C267 1.114 . S H108 C267 1.119 . S H109 C269 1.106 . S H110 C270 1.093 1_554 S H111 C271 1.087 . S H112 C272 1.107 . S H113 C275 1.095 . S H114 C277 1.092 1_565 S H115 C279 1.090 . S H116 N322 1.018 . S H117 C281 1.114 . S H118 C281 1.119 . S H119 C283 1.106 . S H120 C284 1.093 1_554 S H121 C285 1.087 . S H122 C286 1.107 . S H123 C289 1.094 . S H124 C291 1.091 . S H125 C293 1.091 . S H126 N324 1.017 . S H127 C295 1.114 . S H128 C295 1.119 . S H129 C297 1.106 . S H130 C298 1.093 1_554 S H131 C299 1.087 . S H132 C300 1.107 . S C133 C134 1.489 . S C133 O325 1.257 . D C133 O326 1.252 . S C134 C135 1.392 . D C134 C139 1.395 . S C135 C136 1.396 . S C136 C137 1.387 . D C136 C140 1.489 . S C137 C138 1.409 . S C138 C139 1.398 . D C138 N302 1.412 . S C140 O327 1.249 . S C140 O328 1.259 . D C141 C142 1.504 . S C141 N302 1.477 . S C142 C143 1.400 . S C142 C144 1.397 . D C143 N301 1.349 . D C144 C145 1.392 . S C145 C146 1.399 . D C146 N301 1.349 . S C147 C148 1.491 . S C147 O329 1.257 . D C147 O330 1.252 . S C148 C149 1.393 . D C148 C153 1.396 . S C149 C150 1.396 . S C150 C151 1.387 . D C150 C154 1.490 . S C151 C152 1.409 . S C152 C153 1.398 . D C152 N304 1.414 . S C154 O331 1.249 . S C154 O332 1.260 . D C155 C156 1.504 . S C155 N304 1.479 . S C156 C157 1.400 . S C156 C158 1.397 1_545 D C157 N303 1.349 . D C158 C156 1.397 1_565 D C158 C159 1.393 . S C159 C160 1.398 1_565 D C160 C159 1.398 1_545 D C160 H32 1.106 1_545 S C160 N303 1.349 . S C161 C162 1.490 . S C161 O333 1.257 . D C161 O334 1.251 . S C162 C163 1.393 . D C162 C167 1.395 . S C163 C164 1.396 . S C164 C165 1.387 . D C164 C168 1.488 . S C165 C166 1.409 . S C166 C167 1.399 . D C166 N306 1.414 . S C168 O335 1.250 . S C168 O336 1.259 . D C169 C170 1.504 . S C169 N306 1.478 . S C170 C171 1.400 . S C170 C172 1.397 1_455 D C171 N305 1.349 . D C172 C170 1.397 1_655 D C172 C173 1.393 . S C173 C174 1.399 1_655 D C174 C173 1.399 1_455 D C174 H42 1.106 1_455 S C174 N305 1.349 . S C175 C176 1.491 . S C175 O337 1.257 . D C175 O338 1.251 . S C176 C177 1.393 . S C176 C181 1.396 . D C177 C178 1.396 1_655 D C178 C177 1.396 1_455 D C178 C179 1.387 1_455 S C178 C182 1.490 . S C179 H44 1.092 1_655 S C179 C178 1.387 1_655 S C179 C180 1.410 . D C180 C181 1.399 . S C180 N308 1.413 . S C182 O339 1.249 . S C182 O340 1.260 . D C183 C184 1.507 1_556 S C183 N308 1.478 . S C184 C183 1.507 1_554 S C184 C185 1.401 . S C184 C186 1.398 . D C185 N307 1.349 . D C186 H50 1.093 1_554 S C186 C187 1.393 . S C187 C188 1.398 . D C188 N307 1.349 . S C189 C190 1.490 1_455 S C189 O341 1.258 . D C189 O342 1.250 . S C190 C189 1.490 1_655 S C190 C191 1.393 . S C190 C195 1.395 . D C191 C192 1.396 1_565 D C192 C191 1.396 1_545 D C192 C193 1.387 1_545 S C192 C196 1.489 . S C193 H54 1.092 1_565 S C193 C192 1.387 1_565 S C193 C194 1.409 . D C194 C195 1.400 . S C194 N310 1.413 . S C196 O343 1.249 . S C196 O344 1.260 . D C197 C198 1.506 1_556 S C197 N310 1.478 . S C198 C197 1.506 1_554 S C198 C199 1.401 . S C198 C200 1.398 . D C199 N309 1.349 . D C200 H60 1.093 1_554 S C200 C201 1.392 . S C201 C202 1.398 . D C202 N309 1.349 . S C203 C204 1.490 1_545 S C203 O345 1.258 . D C203 O346 1.251 . S C204 C203 1.490 1_565 S C204 C205 1.393 . S C204 C209 1.395 . D C205 C206 1.396 . D C206 C207 1.388 . S C206 C210 1.490 . S C207 C208 1.409 . D C208 C209 1.400 . S C208 N312 1.413 . S C210 O347 1.249 . S C210 O348 1.259 . D C211 C212 1.506 1_556 S C211 N312 1.478 . S C212 C211 1.506 1_554 S C212 C213 1.401 . S C212 C214 1.397 . D C213 N311 1.349 . D C214 H70 1.093 1_554 S C214 C215 1.393 . S C215 C216 1.398 . D C216 N311 1.349 . S C217 C218 1.489 . S C217 O349 1.257 . D C217 O350 1.251 . S C218 C219 1.392 . S C218 C223 1.395 . D C219 C220 1.396 . D C220 C221 1.387 . S C220 C224 1.489 . S C221 C222 1.409 . D C222 C223 1.398 . S C222 N314 1.412 . S C224 O351 1.249 . S C224 O352 1.260 . D C225 C226 1.504 . S C225 N314 1.477 . S C226 C227 1.400 . D C226 C228 1.397 . S C227 N313 1.349 . S C228 C229 1.393 . D C229 C230 1.399 . S C230 N313 1.349 . D C231 C232 1.490 . S C231 O353 1.257 . D C231 O354 1.251 . S C232 C233 1.393 . S C232 C237 1.395 . D C233 C234 1.396 . D C234 C235 1.387 . S C234 C238 1.490 . S C235 C236 1.409 . D C236 C237 1.398 . S C236 N316 1.414 . S C238 O355 1.249 . S C238 O356 1.260 . D C239 C240 1.505 . S C239 N316 1.478 . S C240 C241 1.400 . D C240 C242 1.397 1_565 S C241 N315 1.349 . S C242 C240 1.397 1_545 S C242 C243 1.393 . D C243 C244 1.398 1_545 S C244 H92 1.105 1_565 S C244 C243 1.398 1_565 S C244 N315 1.349 . D C245 C246 1.490 . S C245 O357 1.258 . D C245 O358 1.251 . S C246 C247 1.393 . S C246 C251 1.395 . D C247 C248 1.396 . D C248 C249 1.387 . S C248 C252 1.488 . S C249 C250 1.409 . D C250 C251 1.399 . S C250 N318 1.414 . S C252 O359 1.249 . S C252 O360 1.259 . D C253 C254 1.504 . S C253 N318 1.478 . S C254 C255 1.400 . D C254 C256 1.397 1_655 S C255 N317 1.349 . S C256 C254 1.397 1_455 S C256 C257 1.393 . D C257 C258 1.399 1_455 S C258 H102 1.106 1_655 S C258 C257 1.399 1_655 S C258 N317 1.349 . D C259 C260 1.491 . S C259 O361 1.258 . D C259 O362 1.251 . S C260 C261 1.393 . D C260 C265 1.396 . S C261 C262 1.396 1_455 S C262 C261 1.396 1_655 S C262 C263 1.387 1_655 D C262 C266 1.490 . S C263 C262 1.387 1_455 D C263 H104 1.092 1_455 S C263 C264 1.410 . S C264 C265 1.399 . D C264 N320 1.413 . S C266 O363 1.249 . S C266 O364 1.259 . D C267 C268 1.507 1_554 S C267 N320 1.478 . S C268 C267 1.507 1_556 S C268 C269 1.401 . S C268 C270 1.398 . D C269 N319 1.349 . D C270 H110 1.093 1_556 S C270 C271 1.393 . S C271 C272 1.398 . D C272 N319 1.349 . S C273 C274 1.490 1_655 S C273 O365 1.258 . D C273 O366 1.251 . S C274 C273 1.490 1_455 S C274 C275 1.393 . D C274 C279 1.395 . S C275 C276 1.396 1_545 S C276 C275 1.396 1_565 S C276 C277 1.387 1_565 D C276 C280 1.489 . S C277 C276 1.387 1_545 D C277 H114 1.092 1_545 S C277 C278 1.409 . S C278 C279 1.400 . D C278 N322 1.413 . S C280 O367 1.249 . S C280 O368 1.259 . D C281 C282 1.506 1_554 S C281 N322 1.478 . S C282 C281 1.506 1_556 S C282 C283 1.400 . S C282 C284 1.398 . D C283 N321 1.349 . D C284 H120 1.093 1_556 S C284 C285 1.392 . S C285 C286 1.398 . D C286 N321 1.349 . S C287 C288 1.490 1_565 S C287 O369 1.257 . D C287 O370 1.251 . S C288 C287 1.490 1_545 S C288 C289 1.393 . D C288 C293 1.395 . S C289 C290 1.396 . S C290 C291 1.388 . D C290 C294 1.490 . S C291 C292 1.409 . S C292 C293 1.400 . D C292 N324 1.414 . S C294 O371 1.249 . S C294 O372 1.259 . D C295 C296 1.506 1_554 S C295 N324 1.479 . S C296 C295 1.506 1_556 S C296 C297 1.401 . S C296 C298 1.397 . D C297 N323 1.349 . D C298 H130 1.093 1_556 S C298 C299 1.393 . S C299 C300 1.398 . D C300 N323 1.349 . S