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0.71963 0.25177 0.00000 Uiso 1.00 O339 O 0.23169 0.69989 0.17533 0.00000 Uiso 1.00 O340 O 0.85077 0.75003 0.24768 0.00000 Uiso 1.00 O341 O 0.83736 0.74117 0.16911 0.00000 Uiso 1.00 O342 O 0.89077 0.13627 0.24959 0.00000 Uiso 1.00 O343 O 0.88224 0.24105 0.17366 0.00000 Uiso 1.00 O344 O 0.14162 0.85984 0.24495 0.00000 Uiso 1.00 O345 O 0.24262 0.84547 0.16637 0.00000 Uiso 1.00 O346 O 0.71315 0.89918 0.24834 0.00000 Uiso 1.00 O347 O 0.69370 0.89002 0.17228 0.00000 Uiso 1.00 O348 O 0.74219 0.14989 0.24476 0.00000 Uiso 1.00 O349 O 0.73435 0.25087 0.16661 0.00000 Uiso 1.00 H350 H 0.50742 0.81231 0.30426 0.00000 Uiso 1.00 H351 H 0.34276 0.78920 0.31096 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 N300 2.115 . S Cu1 O302 1.971 . S Cu1 O308 2.022 . S Cu1 O315 2.023 . S Cu1 O321 1.972 . S Cu2 N298 2.131 . S Cu2 O306 1.953 . S Cu2 O312 2.021 . S Cu2 O317 1.960 . S Cu2 O323 2.037 . S Cu3 N296 2.149 . S Cu3 O304 1.982 . S Cu3 O310 1.943 . S Cu3 O319 2.006 . S Cu3 O325 1.930 . S Cu4 N294 2.101 . S Cu4 O303 2.076 . S Cu4 O309 1.970 . S Cu4 O314 1.982 . S Cu4 O320 2.046 . S Cu5 O305 1.949 . S Cu5 O311 2.018 . S Cu5 O318 1.939 . S Cu5 O324 2.004 . S Cu6 N291 2.116 . S Cu6 O307 2.043 . S Cu6 O313 1.974 . S Cu6 O316 2.002 . S Cu6 O322 1.986 . S Cu7 N289 2.120 . S Cu7 O326 1.973 . S Cu7 O332 2.036 . S Cu7 O339 2.041 . S Cu7 O345 1.961 . S Cu8 N287 2.109 . S Cu8 O330 1.966 . S Cu8 O336 2.030 . S Cu8 O341 1.938 . S Cu8 O347 2.052 . S Cu9 N285 2.125 . S Cu9 O328 2.014 . S Cu9 O334 1.962 . S Cu9 O343 2.033 . S Cu9 O349 1.960 . S Cu10 N283 2.115 . S Cu10 O327 2.044 . S Cu10 O333 1.956 . S Cu10 O338 1.925 . S Cu10 O344 2.024 . S Cu11 N281 2.124 . S Cu11 O329 1.960 . S Cu11 O335 2.034 . S Cu11 O342 1.963 . S Cu11 O348 2.010 . S Cu12 N279 2.118 . S Cu12 O331 2.008 . S Cu12 O337 1.980 . S Cu12 O340 1.966 . S Cu12 O346 1.976 . S H13 C125 1.095 . S H14 C127 1.090 . S H15 C129 1.091 . S H16 N280 1.017 . S H17 C131 1.114 . S H18 C131 1.117 . S H19 C133 1.107 . S H20 C134 1.093 . S H21 C135 1.088 . S H22 C136 1.105 . S H23 C139 1.095 . S H24 C141 1.093 . S H25 C143 1.090 . S H26 N282 1.019 . S H27 C145 1.114 . S H28 C145 1.118 . S H29 C147 1.107 . S H30 C148 1.093 . S H31 C149 1.088 . S H32 C150 1.105 1_565 S H33 C153 1.095 . S H34 C155 1.092 . S H35 C157 1.090 . S H36 N284 1.019 . S H37 C159 1.114 . S H38 C159 1.117 . S H39 C161 1.107 . S H40 C162 1.093 . S H41 C163 1.088 . S H42 C164 1.105 1_655 S H43 C167 1.095 . S H44 C169 1.092 1_455 S H45 C171 1.090 . S H46 N286 1.018 . S H47 C173 1.114 . S H48 C173 1.117 . S H49 C175 1.107 . S H50 C176 1.093 1_556 S H51 C177 1.088 . S H52 C178 1.105 . S H53 C181 1.098 . S H54 C183 1.091 1_545 S H55 C185 1.090 . S H56 N288 1.018 . S H57 C187 1.115 . S H58 C187 1.118 . S H59 C189 1.106 . S H60 C190 1.093 1_556 S H61 C191 1.088 . S H62 C192 1.105 . S H63 C195 1.095 . S H64 C197 1.091 . S H65 C199 1.090 . S H66 N290 1.018 . S H67 C201 1.114 . S H68 C201 1.118 . S H69 C203 1.107 . S H70 C204 1.093 1_556 S H71 C205 1.088 . S H72 C206 1.105 . S H73 C209 1.095 . S H74 C211 1.092 . S H75 C213 1.090 . S H76 N292 1.018 . S H77 C215 1.114 . S H78 C215 1.118 . S H79 C217 1.107 . S H80 C218 1.093 . S H81 C219 1.088 . S H82 C220 1.105 . S H83 C225 1.095 . S H84 C227 1.092 . S H85 C229 1.090 . S H86 N295 1.018 . S H87 C231 1.114 . S H88 C231 1.117 . S H89 C233 1.107 . S H90 C234 1.093 . S H91 C235 1.088 . S H92 C236 1.105 1_455 S H93 C239 1.096 . S H94 C241 1.092 1_655 S H95 C243 1.090 . S H96 N297 1.020 . S H97 C245 1.115 . S H98 C245 1.120 . S H99 C247 1.107 . S H100 C248 1.094 1_554 S H101 C249 1.087 . S H102 C250 1.104 . S H103 C253 1.096 . S H104 C255 1.091 1_565 S H105 C257 1.091 . S H106 N299 1.018 . S H107 C259 1.114 . S H108 C259 1.118 . S H109 C261 1.106 . S H110 C262 1.093 1_554 S H111 C263 1.088 . S H112 C264 1.105 . S H113 C267 1.096 . S H114 C269 1.092 . S H115 C271 1.090 . S H116 N301 1.019 . S H117 C273 1.114 . S H118 C273 1.118 . S H119 C275 1.108 . S H120 C276 1.093 1_554 S H121 C277 1.088 . S H122 C278 1.105 . S C123 C124 1.495 . S C123 O302 1.259 . D C123 O303 1.249 . S C124 C125 1.394 . D C124 C129 1.396 . S C125 C126 1.398 . S C126 C127 1.388 . D C126 C130 1.489 . S C127 C128 1.409 . S C128 C129 1.400 . D C128 N280 1.414 . S C130 O304 1.252 . S C130 O305 1.258 . D C131 C132 1.506 . S C131 N280 1.479 . S C132 C133 1.401 . S C132 C134 1.397 . D C133 N279 1.349 . D C134 C135 1.394 . S C135 C136 1.398 . D C136 N279 1.349 . S C137 C138 1.490 . S C137 O306 1.259 . D C137 O307 1.251 . S C138 C139 1.393 . D C138 C143 1.396 . S C139 C140 1.396 . S C140 C141 1.388 . D C140 C144 1.491 . S C141 C142 1.409 . S C142 C143 1.399 . D C142 N282 1.413 . S C144 O308 1.250 . S C144 O309 1.258 . D C145 C146 1.504 . S C145 N282 1.478 . S C146 C147 1.401 . S C146 C148 1.397 1_545 D C147 N281 1.348 . D C148 C146 1.397 1_565 D C148 C149 1.393 . S C149 C150 1.398 1_565 D C150 C149 1.398 1_545 D C150 H32 1.105 1_545 S C150 N281 1.349 . S C151 C152 1.489 . S C151 O310 1.260 . D C151 O311 1.250 . S C152 C153 1.393 . D C152 C157 1.397 . S C153 C154 1.397 . S C154 C155 1.387 . D C154 C158 1.492 . S C155 C156 1.410 . S C156 C157 1.399 . D C156 N284 1.414 . S C158 O312 1.249 . S C158 O313 1.260 . D C159 C160 1.506 . S C159 N284 1.478 . S C160 C161 1.401 . S C160 C162 1.397 1_455 D C161 N283 1.349 . D C162 C160 1.397 1_655 D C162 C163 1.394 . S C163 C164 1.398 1_655 D C164 C163 1.398 1_455 D C164 H42 1.105 1_455 S C164 N283 1.349 . S C165 C166 1.492 . S C165 O314 1.255 . D C165 O315 1.253 . S C166 C167 1.394 . S C166 C171 1.395 . D C167 C168 1.395 1_655 D C168 C167 1.395 1_455 D C168 C169 1.388 1_455 S C168 C172 1.489 . S C169 H44 1.092 1_655 S C169 C168 1.388 1_655 S C169 C170 1.409 . D C170 C171 1.400 . S C170 N286 1.413 . S C172 O316 1.249 . S C172 O317 1.260 . D C173 C174 1.504 1_556 S C173 N286 1.478 . S C174 C173 1.504 1_554 S C174 C175 1.400 . S C174 C176 1.397 . D C175 N285 1.349 . D C176 H50 1.093 1_554 S C176 C177 1.393 . S C177 C178 1.398 . D C178 N285 1.349 . S C179 C180 1.489 1_455 S C179 O318 1.255 . D C179 O319 1.255 . S C180 C179 1.489 1_655 S C180 C181 1.395 . S C180 C185 1.395 . D C181 C182 1.397 1_565 D C182 C181 1.397 1_545 D C182 C183 1.390 1_545 S C182 C186 1.492 . S C183 H54 1.091 1_565 S C183 C182 1.390 1_565 S C183 C184 1.409 . D C184 C185 1.400 . S C184 N288 1.415 . S C186 O320 1.246 . S C186 O321 1.262 . D C187 C188 1.504 1_556 S C187 N288 1.480 . S C188 C187 1.504 1_554 S C188 C189 1.400 . S C188 C190 1.398 . D C189 N287 1.348 . D C190 H60 1.093 1_554 S C190 C191 1.393 . S C191 C192 1.399 . D C192 N287 1.348 . S C193 C194 1.493 1_545 S C193 O322 1.257 . D C193 O323 1.252 . S C194 C193 1.493 1_565 S C194 C195 1.393 . S C194 C199 1.396 . D C195 C196 1.396 . D C196 C197 1.388 . S C196 C200 1.488 . S C197 C198 1.410 . D C198 C199 1.400 . S C198 N290 1.413 . S C200 O324 1.247 . S C200 O325 1.264 . D C201 C202 1.506 1_556 S C201 N290 1.479 . S C202 C201 1.506 1_554 S C202 C203 1.401 . S C202 C204 1.397 . D C203 N289 1.349 . D C204 H70 1.093 1_554 S C204 C205 1.393 . S C205 C206 1.398 . D C206 N289 1.349 . S C207 C208 1.491 . S C207 O326 1.257 . D C207 O327 1.252 . S C208 C209 1.393 . S C208 C213 1.396 . D C209 C210 1.396 . D C210 C211 1.387 . S C210 C214 1.489 . S C211 C212 1.409 . D C212 C213 1.399 . S C212 N292 1.413 . S C214 O328 1.248 . S C214 O329 1.260 . D C215 C216 1.504 . S C215 N292 1.478 . S C216 C217 1.400 . D C216 C218 1.397 . S C217 N291 1.349 . S C218 C219 1.393 . D C219 C220 1.398 . S C220 N291 1.349 . D C221 O330 1.254 . S C221 O331 1.251 . D C221 H350 1.087 . S C222 O332 1.245 . S C222 O333 1.259 . D C222 H351 1.087 . S C223 C224 1.491 . S C223 O334 1.258 . D C223 O335 1.251 . S C224 C225 1.393 . S C224 C229 1.396 . D C225 C226 1.396 . D C226 C227 1.387 . S C226 C230 1.489 . S C227 C228 1.409 . D C228 C229 1.399 . S C228 N295 1.413 . S C230 O336 1.247 . S C230 O337 1.260 . D C231 C232 1.504 . S C231 N295 1.478 . S C232 C233 1.400 . D C232 C234 1.397 1_655 S C233 N294 1.349 . S C234 C232 1.397 1_455 S C234 C235 1.394 . D C235 C236 1.398 1_455 S C236 H92 1.105 1_655 S C236 C235 1.398 1_655 S C236 N294 1.349 . D C237 C238 1.490 . S C237 O338 1.261 . D C237 O339 1.249 . S C238 C239 1.393 . D C238 C243 1.396 . S C239 C240 1.396 1_455 S C240 C239 1.396 1_655 S C240 C241 1.388 1_655 D C240 C244 1.488 . S C241 C240 1.388 1_455 D C241 H94 1.092 1_455 S C241 C242 1.409 . S C242 C243 1.400 . D C242 N297 1.413 . S C244 O340 1.250 . S C244 O341 1.260 . D C245 C246 1.506 1_554 S C245 N297 1.479 . S C246 C245 1.506 1_556 S C246 C247 1.402 . S C246 C248 1.397 . D C247 N296 1.350 . D C248 H100 1.094 1_556 S C248 C249 1.393 . S C249 C250 1.398 . D C250 N296 1.350 . S C251 C252 1.491 1_655 S C251 O342 1.258 . D C251 O343 1.251 . S C252 C251 1.491 1_455 S C252 C253 1.393 . D C252 C257 1.395 . S C253 C254 1.395 1_545 S C254 C253 1.395 1_565 S C254 C255 1.388 1_565 D C254 C258 1.489 . S C255 C254 1.388 1_545 D C255 H104 1.091 1_545 S C255 C256 1.409 . S C256 C257 1.400 . D C256 N299 1.413 . S C258 O344 1.248 . S C258 O345 1.260 . D C259 C260 1.504 1_554 S C259 N299 1.478 . S C260 C259 1.504 1_556 S C260 C261 1.400 . S C260 C262 1.397 . D C261 N298 1.349 . D C262 H110 1.093 1_556 S C262 C263 1.393 . S C263 C264 1.398 . D C264 N298 1.349 . S C265 C266 1.492 1_565 S C265 O346 1.258 . D C265 O347 1.250 . S C266 C265 1.492 1_545 S C266 C267 1.392 . D C266 C271 1.396 . S C267 C268 1.396 . S C268 C269 1.387 . D C268 C272 1.489 . S C269 C270 1.409 . S C270 C271 1.400 . D C270 N301 1.414 . S C272 O348 1.249 . S C272 O349 1.260 . D C273 C274 1.505 1_554 S C273 N301 1.478 . S C274 C273 1.505 1_556 S C274 C275 1.400 . S C274 C276 1.397 . D C275 N300 1.349 . D C276 H120 1.093 1_556 S C276 C277 1.393 . S C277 C278 1.398 . D C278 N300 1.349 . S