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1.00 H540 H 0.45353 0.47670 0.89102 0.00000 Uiso 1.00 H541 H 0.49110 0.44647 0.92716 0.00000 Uiso 1.00 H542 H 0.14198 0.52528 0.95077 0.00000 Uiso 1.00 H543 H 0.16618 0.47094 0.90810 0.00000 Uiso 1.00 H544 H 0.17069 0.40990 0.94823 0.00000 Uiso 1.00 O545 O 0.95853 0.97124 0.63806 0.00000 Uiso 1.00 O546 O 0.44670 0.90810 0.02082 0.00000 Uiso 1.00 O547 O 0.42396 0.98339 0.95163 0.00000 Uiso 1.00 O548 O 0.63386 0.01503 0.90265 0.00000 Uiso 1.00 O549 O 0.64718 0.94647 0.97976 0.00000 Uiso 1.00 O550 O 0.90770 0.43699 0.62373 0.00000 Uiso 1.00 O551 O 0.98128 0.42575 0.63697 0.00000 Uiso 1.00 O552 O 0.03173 0.62410 0.43999 0.00000 Uiso 1.00 O553 O 0.95670 0.63690 0.42846 0.00000 Uiso 1.00 O554 O 0.44512 0.02677 0.61747 0.00000 Uiso 1.00 O555 O 0.43481 0.95155 0.63087 0.00000 Uiso 1.00 O556 O 0.63226 0.89984 0.43944 0.00000 Uiso 1.00 O557 O 0.64261 0.97438 0.42869 0.00000 Uiso 1.00 O558 O 0.91981 0.61352 0.02487 0.00000 Uiso 1.00 O559 O 0.99249 0.63413 0.95579 0.00000 Uiso 1.00 O560 O 0.02731 0.44594 0.90115 0.00000 Uiso 1.00 O561 O 0.95564 0.42893 0.97618 0.00000 Uiso 1.00 O562 O 0.87424 0.05648 0.59313 0.00000 Uiso 1.00 O563 O 0.86034 0.07063 0.51877 0.00000 Uiso 1.00 O564 O 0.06435 0.87019 0.47056 0.00000 Uiso 1.00 O565 O 0.07779 0.85735 0.54467 0.00000 Uiso 1.00 O566 O 0.47914 0.58824 0.05918 0.00000 Uiso 1.00 O567 O 0.55425 0.51566 0.06911 0.00000 Uiso 1.00 O568 O 0.60300 0.47376 0.87778 0.00000 Uiso 1.00 O569 O 0.52485 0.53281 0.86132 0.00000 Uiso 1.00 O570 O 0.59169 0.05666 0.47205 0.00000 Uiso 1.00 O571 O 0.51742 0.07078 0.54450 0.00000 Uiso 1.00 O572 O 0.47518 0.87443 0.59315 0.00000 Uiso 1.00 O573 O 0.54936 0.85914 0.52149 0.00000 Uiso 1.00 O574 O 0.04829 0.59561 0.87957 0.00000 Uiso 1.00 O575 O 0.08624 0.51891 0.85974 0.00000 Uiso 1.00 O576 O 0.88134 0.47069 0.05835 0.00000 Uiso 1.00 O577 O 0.87050 0.54337 0.07142 0.00000 Uiso 1.00 O578 O 0.47860 0.04391 0.87756 0.00000 Uiso 1.00 O579 O 0.53747 0.08211 0.85783 0.00000 Uiso 1.00 O580 O 0.59907 0.87168 0.05818 0.00000 Uiso 1.00 O581 O 0.52718 0.85792 0.06694 0.00000 Uiso 1.00 O582 O 0.87535 0.59312 0.47072 0.00000 Uiso 1.00 O583 O 0.86308 0.51938 0.54574 0.00000 Uiso 1.00 O584 O 0.06192 0.46835 0.59625 0.00000 Uiso 1.00 O585 O 0.07430 0.54274 0.52213 0.00000 Uiso 1.00 Li586 Li 0.85210 0.51087 0.48460 0.00000 Uiso 1.00 Li587 Li 0.57802 0.85579 1.13895 0.00000 Uiso 1.00 Li588 Li 0.87025 0.41359 1.13475 0.00000 Uiso 1.00 Li589 Li 0.43775 0.56081 1.13998 0.00000 Uiso 1.00 Li590 Li 0.64822 0.96493 1.35281 0.00000 Uiso 1.00 Li591 Li 1.14376 0.85841 1.42146 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 O481 1.955 . S Cu1 O512 1.863 . S Cu1 O531 2.056 . S Cu1 O567 1.890 . S Cu2 O483 1.910 . S Cu2 O510 2.222 . S Cu2 O529 1.903 . S Cu2 O569 2.077 . S Cu3 O485 1.945 . S Cu3 O506 1.942 . S Cu3 O535 2.005 . S Cu3 O565 1.930 . S Cu4 O487 2.012 . S Cu4 O508 1.904 . S Cu4 O533 1.915 . S Cu4 O563 1.976 . S Cu5 O489 1.942 . S Cu5 O548 1.968 . S Cu5 O579 2.070 . S Cu6 O491 2.026 . S Cu6 O522 1.933 . S Cu6 O546 2.100 . S Cu6 O581 1.967 . S Cu7 O493 2.016 . S Cu7 O526 1.987 . S Cu7 O552 1.987 . S Cu7 O585 1.985 . S Cu8 O495 2.046 . S Cu8 O528 1.945 . S Cu8 O550 1.960 . S Cu8 O583 2.025 . S Cu9 O497 1.934 . S Cu9 O514 1.963 . S Cu9 O556 1.860 . S Cu9 O573 2.015 . S Cu10 Cl479 2.507 . S Cu10 O499 1.807 . S Cu10 O516 1.719 . S Cu10 O554 1.904 . S Cu10 O571 1.719 . S Cu11 O501 1.932 . S Cu11 O560 1.909 . S Cu11 O575 1.997 . S Cu12 Cl480 2.477 1_655 S Cu12 O503 1.795 . S Cu12 O518 1.718 . S Cu12 O558 1.913 . S Cu12 O577 1.748 . S Cu13 O488 1.973 1_565 S Cu13 O505 2.029 . S Cu13 O534 1.980 1_455 S Cu13 O564 2.007 . S Cu14 O486 2.028 1_655 S Cu14 O507 2.044 . S Cu14 O545 2.005 1_545 S Cu14 O562 2.072 . S Cu15 O482 1.973 1_556 S Cu15 O509 1.580 . S Cu15 O532 1.666 . S Cu15 O568 1.812 . S Cu16 O484 1.962 . S Cu16 O511 1.984 . S Cu16 O530 1.974 1_554 S Cu16 O566 1.994 . S Cu17 Cl479 2.516 1_565 S Cu17 O500 1.895 1_565 S Cu17 O513 1.724 . S Cu17 O555 1.817 . S Cu17 O572 1.781 . S Cu18 O498 1.823 . S Cu18 O515 2.041 . S Cu18 O557 1.865 1_545 S Cu18 O570 1.980 . S Cu19 O502 1.868 1_655 S Cu19 O517 1.970 . S Cu19 O561 1.832 1_554 S Cu19 O576 2.014 . S Cu20 O504 1.977 1_556 S Cu20 O519 1.538 . S Cu20 O559 1.745 1_455 S Cu20 O574 1.740 . S Cu21 O490 1.899 1_565 S Cu21 O521 1.952 . S Cu21 O549 1.918 1_554 S Cu21 O580 1.926 . S Cu22 O492 1.916 1_556 S Cu22 O523 1.587 . S Cu22 O547 1.681 1_545 S Cu22 O578 1.852 . S Cu23 O496 1.941 . S Cu23 O525 1.961 . S Cu23 O551 1.967 1_455 S Cu23 O584 1.967 . S Cu24 O494 1.966 1_655 S Cu24 O527 1.982 . S Cu24 O553 1.948 . S Cu24 O582 1.997 . S H25 C162 1.094 . S H26 C165 1.091 . S H27 C166 1.093 . S H28 C169 1.098 . S H29 C172 1.089 . S H30 C173 1.093 1_556 S H31 C176 1.099 . S H32 C179 1.088 . S H33 C180 1.093 1_565 S H34 C183 1.098 . S H35 C186 1.089 . S H36 C187 1.093 1_655 S H37 C190 1.098 . S H38 C193 1.089 . S H39 C194 1.094 1_556 S H40 C197 1.094 . S H41 C200 1.093 . S H42 C201 1.094 1_565 S H43 C204 1.098 . S H44 C207 1.090 . S H45 C208 1.095 . S H46 C211 1.096 . S H47 C214 1.092 . S H48 C215 1.094 1_655 S H49 C218 1.096 . S H50 C221 1.092 . S H51 C222 1.092 1_565 S H52 C225 1.096 . S H53 C228 1.093 . S H54 C229 1.092 . S H55 C232 1.097 . S H56 C235 1.090 . S H57 C236 1.091 1_556 S H58 C239 1.095 . S H59 C242 1.094 . S H60 C243 1.092 1_655 S H61 C246 1.098 . S H62 C249 1.091 . S H63 C250 1.094 . S H64 C253 1.097 . S H65 C256 1.091 . S H66 C257 1.094 . S H67 C260 1.096 . S H68 C263 1.093 . S H69 C264 1.093 . S H70 C267 1.097 . S H71 C270 1.093 . S H72 C271 1.091 . S H73 C274 1.096 . S H74 C277 1.091 . S H75 C278 1.092 . S H76 C281 1.095 . S H77 C284 1.093 . S H78 C285 1.093 . S H79 C288 1.098 . S H80 C291 1.089 . S H81 C292 1.092 . S H82 C295 1.098 . S H83 C298 1.088 . S H84 C299 1.094 . S H85 C302 1.098 . S H86 C305 1.088 . S H87 C306 1.093 . S H88 C309 1.097 . S H89 C312 1.091 . S H90 C313 1.093 . S H91 C316 1.097 . S H92 C319 1.090 . S H93 C320 1.092 1_554 S H94 C323 1.098 . S H95 C326 1.089 . S H96 C327 1.093 1_545 S H97 C330 1.099 . S H98 C333 1.089 . S H99 C334 1.093 1_455 S H100 C337 1.097 . S H101 C340 1.091 . S H102 C341 1.095 1_554 S H103 C344 1.095 . S H104 C347 1.093 . S H105 C348 1.093 1_545 S H106 C351 1.099 . S H107 C354 1.089 . S H108 C355 1.094 . S H109 C358 1.097 . S H110 C361 1.091 . S H111 C362 1.093 1_455 S H112 C365 1.097 . S H113 C368 1.092 . S H114 C369 1.093 1_545 S H115 C372 1.095 . S H116 C375 1.093 . S H117 C376 1.091 . S H118 C379 1.097 . S H119 C382 1.092 . S H120 C383 1.091 1_554 S H121 C386 1.095 . S H122 C389 1.094 . S H123 C390 1.093 1_455 S H124 C393 1.097 . S H125 C396 1.090 . S H126 C397 1.094 . S H127 C400 1.097 . S H128 C403 1.092 . S H129 C404 1.094 . S H130 C407 1.096 . S H131 C410 1.092 . S H132 C411 1.094 . S H133 C414 1.095 . S H134 C417 1.093 . S H135 C418 1.092 . S H136 C421 1.095 . S H137 C424 1.094 . S H138 C425 1.093 . S H139 C428 1.097 . S H140 C431 1.091 . S H141 C432 1.091 . S H142 C435 1.096 . S H143 C438 1.093 . S H144 C439 1.089 . S H145 C442 1.096 . S H146 C445 1.091 . S H147 C446 1.093 . S H148 C449 1.097 . S H149 C452 1.089 . S H150 C453 1.091 . S H151 C456 1.097 . S H152 C459 1.090 . S H153 C460 1.093 . S H154 C463 1.098 . S H155 C466 1.090 . S H156 C467 1.094 . S H157 C470 1.098 . S H158 C473 1.089 . S H159 C474 1.092 . S C160 C161 1.482 . S C160 O481 1.246 . D C160 O482 1.258 . S C161 C162 1.386 . D C161 C166 1.402 . S C162 C163 1.407 . S C163 C164 1.409 . S C163 C192 1.456 . D C164 C165 1.409 . S C164 C219 1.456 . D C165 C166 1.382 . D C167 C168 1.483 . S C167 O483 1.252 1_554 D C167 O484 1.252 . S C168 C169 1.384 . S C168 C173 1.402 . D C169 C170 1.407 . D C170 C171 1.408 . S C170 C206 1.455 . S C171 C172 1.409 . D C171 C240 1.458 . S C172 C173 1.384 . S C173 H30 1.093 1_554 S C174 C175 1.494 . S C174 O485 1.251 1_545 D C174 O486 1.242 . S C175 C176 1.383 . S C175 C180 1.399 . D C176 C177 1.407 . D C177 C178 1.408 . S C177 C213 1.455 . S C178 C179 1.408 . D C178 C226 1.457 . S C179 C180 1.384 . S C180 H33 1.093 1_545 S C181 C182 1.496 . S C181 O487 1.247 1_455 D C181 O488 1.246 . S C182 C183 1.385 . S C182 C187 1.398 . D C183 C184 1.407 . D C184 C185 1.408 . S C184 C199 1.455 . S C185 C186 1.408 . D C185 C233 1.456 . S C186 C187 1.384 . S C187 H36 1.093 1_455 S C188 C189 1.484 . S C188 O489 1.243 1_554 D C188 O490 1.256 . S C189 C190 1.382 . D C189 C194 1.401 . S C190 C191 1.406 . S C191 C192 1.408 . S C191 C220 1.452 . D C192 C193 1.408 . S C193 C194 1.383 . D C194 H39 1.094 1_554 S C195 C196 1.483 . S C195 O491 1.237 1_545 D C195 O492 1.266 . S C196 C197 1.384 . S C196 C201 1.403 . D C197 C198 1.407 . D C198 C199 1.409 . S C198 C234 1.454 . S C199 C200 1.409 . D C200 C201 1.381 . S C201 H42 1.094 1_545 S C202 C203 1.495 . S C202 O493 1.245 . D C202 O494 1.248 . S C203 C204 1.385 . S C203 C208 1.399 . D C204 C205 1.408 . D C205 C206 1.409 . S C205 C241 1.456 . S C206 C207 1.407 . D C207 C208 1.383 . S C209 C210 1.494 . S C209 O495 1.244 1_455 D C209 O496 1.251 . S C210 C211 1.386 . D C210 C215 1.400 . S C211 C212 1.409 . S C212 C213 1.410 . D C212 C227 1.456 . S C213 C214 1.408 . S C214 C215 1.382 . D C215 H48 1.094 1_455 S C216 C217 1.476 . S C216 O497 1.244 1_545 S C216 O498 1.258 . D C217 C218 1.386 . D C217 C222 1.401 . S C218 C219 1.406 . S C219 C220 1.408 . S C220 C221 1.409 . S C221 C222 1.380 . D C222 H51 1.092 1_545 S C223 C224 1.467 . S C223 O499 1.270 . S C223 O500 1.256 . D C224 C225 1.391 . S C224 C229 1.405 . D C225 C226 1.405 . D C226 C227 1.412 . S C227 C228 1.411 . D C228 C229 1.382 . S C230 C231 1.474 . S C230 O501 1.252 1_554 S C230 O502 1.257 . D C231 C232 1.386 . S C231 C236 1.402 . D C232 C233 1.406 . D C233 C234 1.409 . S C234 C235 1.410 . D C235 C236 1.380 . S C236 H57 1.091 1_554 S C237 C238 1.470 . S C237 O503 1.272 1_455 S C237 O504 1.247 . D C238 C239 1.391 . S C238 C243 1.403 . D C239 C240 1.405 . D C240 C241 1.412 . S C241 C242 1.411 . D C242 C243 1.382 . S C243 H60 1.092 1_455 S C244 C245 1.493 . S C244 O505 1.242 . D C244 O506 1.252 . S C245 C246 1.385 . S C245 C250 1.399 . D C246 C247 1.407 . D C247 C248 1.409 . S C247 C269 1.454 . S C248 C249 1.408 . D C248 C289 1.456 . S C249 C250 1.384 . S C251 C252 1.492 . S C251 O507 1.241 . D C251 O508 1.255 . S C252 C253 1.385 . S C252 C257 1.400 . D C253 C254 1.408 . D C254 C255 1.409 . S C254 C283 1.454 . S C255 C256 1.408 . D C255 C303 1.455 . S C256 C257 1.383 . S C258 C259 1.482 . S C258 O511 1.247 . D C258 O512 1.258 . S C259 C260 1.388 . S C259 C264 1.401 . D C260 C261 1.407 . D C261 C262 1.409 . S C261 C276 1.457 . S C262 C263 1.409 . D C262 C296 1.454 . S C263 C264 1.381 . S C265 C266 1.469 . S C265 O513 1.286 . D C265 O514 1.232 . S C266 C267 1.391 . S C266 C271 1.401 . D C267 C268 1.403 . D C268 C269 1.411 . S C268 C290 1.457 . S C269 C270 1.411 . D C270 C271 1.382 . S C272 C273 1.472 . S C272 O515 1.230 . D C272 O516 1.289 . S C273 C274 1.386 . D C273 C278 1.405 . S C274 C275 1.406 . S C275 C276 1.410 . D C275 C297 1.455 . S C276 C277 1.410 . S C277 C278 1.382 . D C279 C280 1.465 . S C279 O517 1.236 . D C279 O518 1.287 . S C280 C281 1.387 . S C280 C285 1.406 . D C281 C282 1.405 . D C282 C283 1.411 . S C282 C304 1.456 . S C283 C284 1.411 . D C284 C285 1.380 . S C286 C287 1.486 . S C286 O521 1.253 . S C286 O522 1.248 . D C287 C288 1.387 . S C287 C292 1.399 . D C288 C289 1.406 . D C289 C290 1.408 . S C290 C291 1.409 . D C291 C292 1.384 . S C293 C294 1.492 . S C293 O525 1.247 . S C293 O526 1.245 . D C294 C295 1.383 . S C294 C299 1.398 . D C295 C296 1.406 . D C296 C297 1.408 . S C297 C298 1.408 . D C298 C299 1.384 . S C300 C301 1.492 . S C300 O527 1.246 . S C300 O528 1.248 . D C301 C302 1.384 . S C301 C306 1.399 . D C302 C303 1.406 . D C303 C304 1.408 . S C304 C305 1.408 . D C305 C306 1.383 . S C307 C308 1.488 . S C307 O529 1.254 . D C307 O530 1.250 . S C308 C309 1.385 . D C308 C313 1.401 . S C309 C310 1.408 . S C310 C311 1.408 . S C310 C339 1.455 . D C311 C312 1.409 . S C311 C366 1.458 . D C312 C313 1.384 . D C314 C315 1.472 . S C314 O531 1.225 1_556 D C314 O532 1.292 . S C315 C316 1.385 . D C315 C320 1.404 . S C316 C317 1.406 . S C317 C318 1.409 . S C317 C353 1.455 . D C318 C319 1.410 . S C318 C387 1.455 . D C319 C320 1.381 . D C320 H93 1.092 1_556 S C321 C322 1.488 . S C321 O533 1.252 1_565 D C321 O534 1.242 . S C322 C323 1.384 . S C322 C327 1.399 . D C323 C324 1.405 . D C324 C325 1.408 . S C324 C360 1.455 . S C325 C326 1.409 . D C325 C373 1.454 . S C326 C327 1.383 . S C327 H96 1.093 1_565 S C328 C329 1.498 . S C328 O535 1.248 1_655 D C328 O545 1.245 . S C329 C330 1.385 . S C329 C334 1.399 . D C330 C331 1.407 . D C331 C332 1.408 . S C331 C346 1.456 . S C332 C333 1.408 . D C332 C380 1.457 . S C333 C334 1.385 . S C334 H99 1.093 1_655 S C335 C336 1.478 . S C335 O546 1.222 1_556 D C335 O547 1.290 . S C336 C337 1.385 . D C336 C341 1.403 . S C337 C338 1.409 . S C338 C339 1.409 . S C338 C367 1.456 . D C339 C340 1.409 . S C340 C341 1.380 . D C341 H102 1.095 1_556 S C342 C343 1.488 . S C342 O548 1.247 1_565 D C342 O549 1.256 . S C343 C344 1.385 . S C343 C348 1.402 . D C344 C345 1.410 . D C345 C346 1.410 . S C345 C381 1.456 . S C346 C347 1.409 . D C347 C348 1.382 . S C348 H105 1.093 1_565 S C349 C350 1.492 . S C349 O550 1.246 . D C349 O551 1.246 . S C350 C351 1.383 . D C350 C355 1.399 . S C351 C352 1.406 . S C352 C353 1.408 . S C352 C388 1.453 . D C353 C354 1.408 . S C354 C355 1.383 . D C356 C357 1.490 . S C356 O552 1.245 1_655 D C356 O553 1.251 . S C357 C358 1.384 . D C357 C362 1.400 . S C358 C359 1.406 . S C359 C360 1.408 . D C359 C374 1.452 . S C360 C361 1.408 . S C361 C362 1.383 . D C362 H111 1.093 1_655 S C363 C364 1.471 . S C363 O554 1.254 1_565 S C363 O555 1.264 . D C364 C365 1.390 . D C364 C369 1.403 . S C365 C366 1.407 . S C366 C367 1.411 . S C367 C368 1.410 . S C368 C369 1.381 . D C369 H114 1.093 1_565 S C370 C371 1.471 . S C370 O556 1.251 . S C370 O557 1.255 . D C371 C372 1.385 . S C371 C376 1.402 . D C372 C373 1.404 . D C373 C374 1.409 . S C374 C375 1.410 . D C375 C376 1.380 . S C377 C378 1.466 . S C377 O558 1.250 1_556 S C377 O559 1.272 . D C378 C379 1.390 . S C378 C383 1.403 . D C379 C380 1.405 . D C380 C381 1.412 . S C381 C382 1.411 . D C382 C383 1.381 . S C383 H120 1.091 1_556 S C384 C385 1.475 . S C384 O560 1.247 1_655 S C384 O561 1.262 . D C385 C386 1.386 . D C385 C390 1.402 . S C386 C387 1.406 . S C387 C388 1.409 . S C388 C389 1.410 . S C389 C390 1.381 . D C390 H123 1.093 1_655 S C391 C392 1.499 . S C391 O562 1.243 . D C391 O563 1.252 . S C392 C393 1.385 . D C392 C397 1.400 . S C393 C394 1.409 . S C394 C395 1.410 . S C394 C423 1.455 . D C395 C396 1.407 . S C395 C450 1.458 . D C396 C397 1.385 . D C398 C399 1.491 . S C398 O564 1.244 . D C398 O565 1.252 . S C399 C400 1.385 . S C399 C404 1.400 . D C400 C401 1.407 . D C401 C402 1.409 . S C401 C437 1.454 . S C402 C403 1.408 . D C402 C471 1.455 . S C403 C404 1.383 . S C405 C406 1.486 . S C405 O566 1.246 . D C405 O567 1.257 . S C406 C407 1.387 . S C406 C411 1.401 . D C407 C408 1.409 . D C408 C409 1.409 . S C408 C444 1.457 . S C409 C410 1.409 . D C409 C457 1.456 . S C410 C411 1.382 . S C412 C413 1.482 . S C412 O568 1.278 . D C412 O569 1.234 . S C413 C414 1.387 . S C413 C418 1.402 . D C414 C415 1.408 . D C415 C416 1.410 . S C415 C430 1.458 . S C416 C417 1.410 . D C416 C464 1.455 . S C417 C418 1.382 . S C419 C420 1.468 . S C419 O570 1.232 . D C419 O571 1.288 . S C420 C421 1.386 . D C420 C425 1.406 . S C421 C422 1.405 . S C422 C423 1.411 . S C422 C451 1.454 . D C423 C424 1.410 . S C424 C425 1.381 . D C426 C427 1.477 . S C426 O572 1.283 . D C426 O573 1.232 . S C427 C428 1.390 . D C427 C432 1.401 . S C428 C429 1.406 . S C429 C430 1.410 . D C429 C465 1.458 . S C430 C431 1.410 . S C431 C432 1.384 . D C433 C434 1.470 . S C433 O574 1.284 . D C433 O575 1.236 . S C434 C435 1.388 . S C434 C439 1.401 . D C435 C436 1.404 . D C436 C437 1.410 . S C436 C472 1.456 . S C437 C438 1.410 . D C438 C439 1.381 . S C440 C441 1.474 . S C440 O576 1.234 . D C440 O577 1.285 . S C441 C442 1.386 . D C441 C446 1.405 . S C442 C443 1.408 . S C443 C444 1.410 . D C443 C458 1.456 . S C444 C445 1.410 . S C445 C446 1.381 . D C447 C448 1.484 . S C447 O578 1.271 . S C447 O579 1.235 . D C448 C449 1.386 . D C448 C453 1.399 . S C449 C450 1.407 . S C450 C451 1.408 . S C451 C452 1.409 . S C452 C453 1.382 . D C454 C455 1.488 . S C454 O580 1.254 . S C454 O581 1.245 . D C455 C456 1.386 . S C455 C460 1.399 . D C456 C457 1.406 . D C457 C458 1.409 . S C458 C459 1.408 . D C459 C460 1.383 . S C461 C462 1.498 . S C461 O582 1.249 . S C461 O583 1.245 . D C462 C463 1.385 . S C462 C467 1.399 . D C463 C464 1.408 . D C464 C465 1.409 . S C465 C466 1.408 . D C466 C467 1.385 . S C468 C469 1.492 . S C468 O584 1.250 . S C468 O585 1.245 . D C469 C470 1.384 . S C469 C474 1.399 . D C470 C471 1.406 . D C471 C472 1.408 . S C472 C473 1.408 . D C473 C474 1.383 . S Cl479 Cu17 2.516 1_545 S Cl480 Cu12 2.477 1_455 S O482 Cu15 1.973 1_554 S O483 C167 1.252 1_556 D O485 C174 1.251 1_565 D O486 Cu14 2.028 1_455 S O487 C181 1.247 1_655 D O488 Cu13 1.973 1_545 S O489 C188 1.243 1_556 D O490 Cu21 1.899 1_545 S O491 C195 1.237 1_565 D O492 Cu22 1.916 1_554 S O494 Cu24 1.966 1_455 S O495 C209 1.244 1_655 D O497 C216 1.244 1_565 S O500 Cu17 1.895 1_545 S O501 C230 1.252 1_556 S O502 Cu19 1.868 1_455 S O503 C237 1.272 1_655 S O504 Cu20 1.977 1_554 S O509 H539 0.967 . S O510 H540 0.952 . S O510 H541 0.989 . S O519 H542 0.953 . S O520 H543 0.967 . S O520 H544 0.962 . S O523 H536 0.961 . S O524 H537 0.957 . S O524 H538 0.990 . S O530 Cu16 1.974 1_556 S O531 C314 1.225 1_554 D O533 C321 1.252 1_545 D O534 Cu13 1.980 1_655 S O535 C328 1.248 1_455 D O545 Cu14 2.005 1_565 S O546 C335 1.222 1_554 D O547 Cu22 1.681 1_565 S O548 C342 1.247 1_545 D O549 Cu21 1.918 1_556 S O551 Cu23 1.967 1_655 S O552 C356 1.245 1_455 D O554 C363 1.254 1_545 S O557 Cu18 1.865 1_565 S O558 C377 1.250 1_554 S O559 Cu20 1.745 1_655 S O560 C384 1.247 1_455 S O561 Cu19 1.832 1_556 S