data_QAGQEW_relaxed _audit_creation_date 2017-08-02 _audit_creation_method 'Materials Studio' _symmetry_space_group_name_H-M 'P1' _symmetry_Int_Tables_number 1 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z _cell_length_a 27.8090 _cell_length_b 27.8278 _cell_length_c 27.7948 _cell_angle_alpha 60.1067 _cell_angle_beta 60.1132 _cell_angle_gamma 60.0530 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy Cd1 Cd 0.54523 0.08783 0.90902 0.00000 Uiso 1.00 Cd2 Cd 0.08914 0.54274 0.45383 0.00000 Uiso 1.00 Cd3 Cd 0.91088 0.45392 0.54208 0.00000 Uiso 1.00 Cd4 Cd 0.45453 0.90931 0.08659 0.00000 Uiso 1.00 Cd5 Cd 0.54430 0.90923 0.45321 0.00000 Uiso 1.00 Cd6 Cd 0.08799 0.45389 0.90968 0.00000 Uiso 1.00 Cd7 Cd 0.91182 0.54295 0.08619 0.00000 Uiso 1.00 Cd8 Cd 0.45557 0.08757 0.54266 0.00000 Uiso 1.00 Cd9 Cd 0.54447 0.45411 0.08645 0.00000 Uiso 1.00 Cd10 Cd 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S337 S 0.43771 0.81285 0.97770 0.00000 Uiso 1.00 S338 S 0.81446 0.43541 0.76427 0.00000 Uiso 1.00 S339 S 0.98025 0.76466 0.43473 0.00000 Uiso 1.00 S340 S 0.76696 0.97837 0.81196 0.00000 Uiso 1.00 S341 S 0.43758 0.97824 0.76427 0.00000 Uiso 1.00 S342 S 0.81492 0.76480 0.97752 0.00000 Uiso 1.00 S343 S 0.98044 0.43568 0.81205 0.00000 Uiso 1.00 S344 S 0.76653 0.81234 0.43464 0.00000 Uiso 1.00 S345 S 0.43752 0.76469 0.81187 0.00000 Uiso 1.00 S346 S 0.81448 0.97803 0.43486 0.00000 Uiso 1.00 S347 S 0.98062 0.81264 0.76392 0.00000 Uiso 1.00 S348 S 0.76696 0.43565 0.97783 0.00000 Uiso 1.00 S349 S 0.68380 0.06394 0.51639 0.00000 Uiso 1.00 S350 S 0.06563 0.68272 0.73004 0.00000 Uiso 1.00 S351 S 0.73153 0.51623 0.06336 0.00000 Uiso 1.00 S352 S 0.51886 0.73069 0.68199 0.00000 Uiso 1.00 S353 S 0.51821 0.06410 0.73008 0.00000 Uiso 1.00 S354 S 0.73237 0.68249 0.51630 0.00000 Uiso 1.00 S355 S 0.06528 0.51710 0.68213 0.00000 Uiso 1.00 S356 S 0.68374 0.73005 0.06327 0.00000 Uiso 1.00 S357 S 0.73202 0.06427 0.68199 0.00000 Uiso 1.00 S358 S 0.51783 0.68211 0.06340 0.00000 Uiso 1.00 S359 S 0.68457 0.51708 0.73004 0.00000 Uiso 1.00 S360 S 0.06513 0.73060 0.51630 0.00000 Uiso 1.00 O361 O 0.55189 0.05182 0.00792 0.00000 Uiso 1.00 O362 O 0.54921 0.13866 0.94663 0.00000 Uiso 1.00 O363 O 0.05376 0.54954 0.38392 0.00000 Uiso 1.00 O364 O 0.14056 0.54721 0.36157 0.00000 Uiso 1.00 O365 O 0.00966 0.38515 0.54860 0.00000 Uiso 1.00 O366 O 0.94842 0.36120 0.54692 0.00000 Uiso 1.00 O367 O 0.38510 0.00846 0.05156 0.00000 Uiso 1.00 O368 O 0.36213 0.94636 0.13797 0.00000 Uiso 1.00 O369 O 0.55012 0.00824 0.38480 0.00000 Uiso 1.00 O370 O 0.54914 0.94682 0.36038 0.00000 Uiso 1.00 O371 O 0.05290 0.38454 0.00823 0.00000 Uiso 1.00 O372 O 0.13973 0.36157 0.94677 0.00000 Uiso 1.00 O373 O 0.00978 0.55039 0.05143 0.00000 Uiso 1.00 O374 O 0.94828 0.54702 0.13837 0.00000 Uiso 1.00 O375 O 0.38544 0.05237 0.54974 0.00000 Uiso 1.00 O376 O 0.36339 0.13928 0.54692 0.00000 Uiso 1.00 O377 O 0.55160 0.38394 0.05148 0.00000 Uiso 1.00 O378 O 0.54814 0.36221 0.13863 0.00000 Uiso 1.00 O379 O 0.05332 0.00870 0.55035 0.00000 Uiso 1.00 O380 O 0.14036 0.94759 0.54688 0.00000 Uiso 1.00 O381 O 0.00952 0.05181 0.38409 0.00000 Uiso 1.00 O382 O 0.94730 0.13823 0.36139 0.00000 Uiso 1.00 O383 O 0.38601 0.54901 0.00801 0.00000 Uiso 1.00 O384 O 0.36214 0.54801 0.94633 0.00000 Uiso 1.00 O385 O 0.44718 0.94618 0.48806 0.00000 Uiso 1.00 O386 O 0.36073 0.94813 0.55000 0.00000 Uiso 1.00 O387 O 0.94714 0.44552 0.11307 0.00000 Uiso 1.00 O388 O 0.94925 0.35912 0.13520 0.00000 Uiso 1.00 O389 O 0.11555 0.48864 0.94540 0.00000 Uiso 1.00 O390 O 0.13760 0.55092 0.94769 0.00000 Uiso 1.00 O391 O 0.48953 0.11342 0.44520 0.00000 Uiso 1.00 O392 O 0.55164 0.13580 0.35884 0.00000 Uiso 1.00 O393 O 0.48949 0.94551 0.11307 0.00000 Uiso 1.00 O394 O 0.55184 0.94778 0.13507 0.00000 Uiso 1.00 O395 O 0.11457 0.44545 0.48814 0.00000 Uiso 1.00 O396 O 0.13725 0.35921 0.55027 0.00000 Uiso 1.00 O397 O 0.94788 0.48848 0.44489 0.00000 Uiso 1.00 O398 O 0.94979 0.55030 0.35840 0.00000 Uiso 1.00 O399 O 0.44770 0.11409 0.94558 0.00000 Uiso 1.00 O400 O 0.36119 0.13618 0.94773 0.00000 Uiso 1.00 O401 O 0.11504 0.94608 0.44516 0.00000 Uiso 1.00 O402 O 0.13724 0.94790 0.35875 0.00000 Uiso 1.00 O403 O 0.49083 0.44573 0.94562 0.00000 Uiso 1.00 O404 O 0.55267 0.35921 0.94751 0.00000 Uiso 1.00 O405 O 0.44664 0.48805 0.11312 0.00000 Uiso 1.00 O406 O 0.36017 0.55023 0.13555 0.00000 Uiso 1.00 O407 O 0.94716 0.11368 0.48775 0.00000 Uiso 1.00 O408 O 0.94967 0.13580 0.54991 0.00000 Uiso 1.00 O409 O 0.44781 0.94507 0.98790 0.00000 Uiso 1.00 O410 O 0.45061 0.85825 0.04914 0.00000 Uiso 1.00 O411 O 0.94613 0.44722 0.61195 0.00000 Uiso 1.00 O412 O 0.85930 0.44957 0.63434 0.00000 Uiso 1.00 O413 O 0.99021 0.61159 0.44731 0.00000 Uiso 1.00 O414 O 0.05147 0.63550 0.44899 0.00000 Uiso 1.00 O415 O 0.61457 0.98853 0.94421 0.00000 Uiso 1.00 O416 O 0.63767 0.05051 0.85780 0.00000 Uiso 1.00 O417 O 0.44969 0.98860 0.61107 0.00000 Uiso 1.00 O418 O 0.45067 0.05002 0.63549 0.00000 Uiso 1.00 O419 O 0.94690 0.61230 0.98764 0.00000 Uiso 1.00 O420 O 0.86006 0.63528 0.04906 0.00000 Uiso 1.00 O421 O 0.99007 0.44645 0.94443 0.00000 Uiso 1.00 O422 O 0.05153 0.44979 0.85745 0.00000 Uiso 1.00 O423 O 0.61444 0.94444 0.44608 0.00000 Uiso 1.00 O424 O 0.63644 0.85752 0.44894 0.00000 Uiso 1.00 O425 O 0.44824 0.61287 0.94435 0.00000 Uiso 1.00 O426 O 0.45167 0.63463 0.85723 0.00000 Uiso 1.00 O427 O 0.94650 0.98815 0.44547 0.00000 Uiso 1.00 O428 O 0.85943 0.04921 0.44899 0.00000 Uiso 1.00 O429 O 0.99034 0.94504 0.61173 0.00000 Uiso 1.00 O430 O 0.05245 0.85857 0.63448 0.00000 Uiso 1.00 O431 O 0.61379 0.44779 0.98786 0.00000 Uiso 1.00 O432 O 0.63765 0.44887 0.04954 0.00000 Uiso 1.00 O433 O 0.55265 0.05062 0.50781 0.00000 Uiso 1.00 O434 O 0.63910 0.04867 0.44586 0.00000 Uiso 1.00 O435 O 0.05271 0.55129 0.88275 0.00000 Uiso 1.00 O436 O 0.05058 0.63770 0.86071 0.00000 Uiso 1.00 O437 O 0.88426 0.50820 0.05046 0.00000 Uiso 1.00 O438 O 0.86221 0.44592 0.04818 0.00000 Uiso 1.00 O439 O 0.51033 0.88338 0.55066 0.00000 Uiso 1.00 O440 O 0.44815 0.86100 0.63703 0.00000 Uiso 1.00 O441 O 0.51029 0.05143 0.88275 0.00000 Uiso 1.00 O442 O 0.44799 0.04907 0.86075 0.00000 Uiso 1.00 O443 O 0.88521 0.55127 0.50781 0.00000 Uiso 1.00 O444 O 0.86263 0.63754 0.44560 0.00000 Uiso 1.00 O445 O 0.05197 0.50831 0.55101 0.00000 Uiso 1.00 O446 O 0.05008 0.44644 0.63751 0.00000 Uiso 1.00 O447 O 0.55211 0.88272 0.05024 0.00000 Uiso 1.00 O448 O 0.63859 0.86075 0.04809 0.00000 Uiso 1.00 O449 O 0.88476 0.05072 0.55071 0.00000 Uiso 1.00 O450 O 0.86257 0.04894 0.63712 0.00000 Uiso 1.00 O451 O 0.50900 0.55107 0.05024 0.00000 Uiso 1.00 O452 O 0.44716 0.63759 0.04835 0.00000 Uiso 1.00 O453 O 0.55319 0.50874 0.88275 0.00000 Uiso 1.00 O454 O 0.63970 0.44654 0.86027 0.00000 Uiso 1.00 O455 O 0.05265 0.88316 0.50812 0.00000 Uiso 1.00 O456 O 0.05016 0.86106 0.44591 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 Cd1 O362 2.203 . S Cd1 O399 2.222 . S Cd1 O416 2.208 . S Cd1 O441 2.220 . S Cd2 O445 2.216 . S Cd2 O364 2.200 . S Cd2 O395 2.219 . S Cd2 O414 2.208 . S Cd3 O412 2.201 . S Cd3 O366 2.207 . S Cd3 O397 2.216 . S Cd3 O443 2.221 . S Cd4 O368 2.207 . S Cd4 O393 2.221 . S Cd4 O410 2.204 . S Cd4 O447 2.223 . S Cd5 O439 2.221 . S Cd5 O370 2.208 . S Cd5 O385 2.214 . S Cd5 O424 2.199 . S Cd6 O372 2.209 . S Cd6 O389 2.228 . S Cd6 O422 2.212 . S Cd6 O435 2.219 . S Cd7 O374 2.211 . S Cd7 O387 2.220 . S Cd7 O420 2.210 . S Cd7 O437 2.228 . S Cd8 O418 2.207 . S Cd8 O376 2.200 . S Cd8 O391 2.221 . S Cd8 O433 2.214 . S Cd9 O378 2.201 . S Cd9 O377 2.472 . S Cd9 O405 2.229 . S Cd9 O432 2.216 . S Cd9 O451 2.212 . S Cd10 O380 2.209 . S Cd10 O401 2.214 . S Cd10 O430 2.206 . S Cd10 O455 2.230 . S Cd11 O382 2.206 . S Cd11 O407 2.230 . S Cd11 O428 2.210 . S Cd11 O449 2.214 . S Cd12 O384 2.216 . S Cd12 O403 2.211 . S Cd12 O425 2.471 . S Cd12 O426 2.202 . S Cd12 O453 2.229 . S Cd13 O386 2.211 . S Cd13 O417 2.213 . S Cd13 O440 2.218 . S Cd13 O385 2.460 . S Cd13 O375 2.236 1_565 S Cd14 O438 2.208 . S Cd14 O388 2.212 . S Cd14 O371 2.227 1_655 S Cd14 O421 2.224 1_554 S Cd15 O436 2.211 . S Cd15 O390 2.209 . S Cd15 O373 2.224 1_556 S Cd15 O419 2.226 1_455 S Cd16 O392 2.217 . S Cd16 O369 2.212 . S Cd16 O434 2.213 . S Cd16 O391 2.472 . S Cd16 O433 2.462 . S Cd16 O423 2.236 1_545 S Cd17 O448 2.212 . S Cd17 O394 2.212 . S Cd17 O361 2.231 1_565 S Cd17 O415 2.225 1_554 S Cd18 O365 2.214 . S Cd18 O396 2.218 . S Cd18 O446 2.213 . S Cd18 O445 2.463 . S Cd18 O395 2.467 . S Cd18 O411 2.228 1_455 S Cd19 O398 2.213 . S Cd19 O444 2.217 . S Cd19 O413 2.214 . S Cd19 O443 2.468 . S Cd19 O397 2.462 . S Cd19 O363 2.229 1_655 S Cd20 O442 2.211 . S Cd20 O400 2.212 . S Cd20 O367 2.225 1_556 S Cd20 O409 2.231 1_545 S Cd21 O402 2.212 . S Cd21 O456 2.207 . S Cd21 O401 2.471 . S Cd21 O381 2.231 1_565 S Cd21 O427 2.222 1_455 S Cd22 O454 2.212 . S Cd22 O404 2.209 . S Cd22 O431 2.208 . S Cd22 O403 2.463 . S Cd22 O377 2.235 1_556 S Cd23 O383 2.209 . S Cd23 O452 2.209 . S Cd23 O406 2.211 . S Cd23 O451 2.463 . S Cd23 O425 2.236 1_554 S Cd24 O408 2.208 . S Cd24 O450 2.212 . S Cd24 O449 2.472 . S Cd24 O379 2.222 1_655 S Cd24 O429 2.231 1_545 S H25 C75 1.089 . S H26 C80 1.090 . S H27 C85 1.090 . S H28 C90 1.090 . S H29 C95 1.089 . S H30 C100 1.090 . S H31 C105 1.089 . S H32 C110 1.089 . S H33 C115 1.089 . S H34 C120 1.090 . S H35 C125 1.090 . S H36 C130 1.090 . S H37 C135 1.090 . S H38 C140 1.089 . S H39 C145 1.089 . S H40 C150 1.090 . S H41 C155 1.090 . S H42 C160 1.089 . S H43 C165 1.089 . S H44 C170 1.090 . S H45 C175 1.090 . S H46 C180 1.090 . S H47 C185 1.089 . S H48 C190 1.089 . S H49 C195 1.090 . S H50 C200 1.090 . S H51 C205 1.091 . S H52 C210 1.090 . S H53 C215 1.090 . S H54 C220 1.091 . S H55 C225 1.089 . S H56 C230 1.089 . S H57 C235 1.090 . S H58 C240 1.090 . S H59 C245 1.090 . S H60 C250 1.090 . S H61 C255 1.090 . S H62 C260 1.089 . S H63 C265 1.089 . S H64 C270 1.090 . S H65 C275 1.090 . S H66 C280 1.089 . S H67 C285 1.090 . S H68 C290 1.089 . S H69 C295 1.090 . S H70 C300 1.090 . S H71 C305 1.089 . S H72 C310 1.090 . S C73 O362 1.279 . D C73 C74 1.450 1_556 S C73 O361 1.265 1_556 S C74 S313 1.749 . S C74 C75 1.368 . D C74 C73 1.450 1_554 S C75 C76 1.434 . S C76 C77 1.409 . D C76 C97 1.409 . S C77 S313 1.727 . S C77 C116 1.409 . S C78 C79 1.448 . S C78 O364 1.278 . D C78 O363 1.265 . S C79 S314 1.746 . S C79 C80 1.367 . D C80 C81 1.433 . S C81 C107 1.409 . D C81 C82 1.410 . S C82 C131 1.410 . D C82 S314 1.727 . S C83 O366 1.277 . D C83 C84 1.449 1_655 S C83 O365 1.266 1_655 S C84 C85 1.367 . D C84 S315 1.746 . S C84 C83 1.449 1_455 S C85 C86 1.433 . S C86 C87 1.410 . D C86 C112 1.409 . S C87 C121 1.409 . S C87 S315 1.726 . S C88 O368 1.278 . D C88 C89 1.450 1_565 S C88 O367 1.268 1_565 S C89 C90 1.367 . D C89 S316 1.749 . S C89 C88 1.450 1_545 S C90 C91 1.434 . S C91 C102 1.410 . D C91 C92 1.409 . S C92 S316 1.728 . S C92 C126 1.409 . D C93 O370 1.278 . D C93 C94 1.449 1_565 S C93 O369 1.268 1_565 S C94 S317 1.747 . S C94 C95 1.368 . D C94 C93 1.449 1_545 S C95 C96 1.434 . S C96 C117 1.410 . S C96 C97 1.410 . D C97 S317 1.725 . S C98 O372 1.278 . D C98 C99 1.449 1_556 S C98 O371 1.268 1_556 S C99 S318 1.749 . S C99 C100 1.368 . D C99 C98 1.449 1_554 S C100 C101 1.435 . S C101 C102 1.410 . S C101 C127 1.410 . D C102 S318 1.728 . S C103 O374 1.277 . D C103 C104 1.449 1_655 S C103 O373 1.268 1_655 S C104 C105 1.368 . D C104 S319 1.748 . S C104 C103 1.449 1_455 S C105 C106 1.434 . S C106 C132 1.411 . D C106 C107 1.409 . S C107 S319 1.728 . S C108 O376 1.278 . D C108 O375 1.266 . S C108 C109 1.448 . S C109 C110 1.367 . D C109 S320 1.746 . S C110 C111 1.433 . S C111 C122 1.410 . S C111 C112 1.410 . D C112 S320 1.727 . S C113 O377 1.266 . S C113 C114 1.449 . S C113 O378 1.279 . D C114 C115 1.367 . D C114 S321 1.746 . S C115 C116 1.433 . S C116 C117 1.410 . D C117 S321 1.727 . S C118 O380 1.278 . D C118 C119 1.453 1_565 S C118 O379 1.263 1_565 S C119 C120 1.368 . D C119 S322 1.749 . S C119 C118 1.453 1_545 S C120 C121 1.434 . S C121 C122 1.409 . D C122 S322 1.727 . S C123 O382 1.278 . D C123 C124 1.451 1_655 S C123 O381 1.266 1_655 S C124 S323 1.748 . S C124 C125 1.367 . D C124 C123 1.451 1_455 S C125 C126 1.434 . S C126 C127 1.410 . S C127 S323 1.727 . S C128 O384 1.276 . D C128 C129 1.450 1_556 S C128 O383 1.267 1_556 S C129 S324 1.748 . S C129 C130 1.367 . D C129 C128 1.450 1_554 S C130 C131 1.435 . S C131 C132 1.409 . S C132 S324 1.727 . S C133 C134 1.448 . S C133 O385 1.268 . S C133 O386 1.276 . D C134 C135 1.368 . D C134 S325 1.747 . S C135 C136 1.433 . S C136 C157 1.409 . D C136 C137 1.410 . S C137 C176 1.409 . D C137 S325 1.727 . S C138 O387 1.267 . D C138 O388 1.276 . S C138 C139 1.449 . S C139 C140 1.367 . D C139 S326 1.747 . S C140 C141 1.433 . S C141 C142 1.410 . D C141 C167 1.409 . S C142 S326 1.727 . S C142 C191 1.410 . S C143 C144 1.449 . S C143 O389 1.266 . D C143 O390 1.277 . S C144 S327 1.747 . S C144 C145 1.367 . D C145 C146 1.434 . S C146 C147 1.409 . S C146 C172 1.410 . D C147 S327 1.727 . S C147 C181 1.409 . D C148 O392 1.276 . D C148 C149 1.450 . S C148 O391 1.268 . S C149 S328 1.748 . S C149 C150 1.367 . D C150 C151 1.433 . S C151 C152 1.409 . D C151 C162 1.410 . S C152 C186 1.410 . S C152 S328 1.727 . S C153 O393 1.267 . D C153 O394 1.276 . S C153 C154 1.450 . S C154 C155 1.367 . D C154 S329 1.747 . S C155 C156 1.434 . S C156 C157 1.409 . S C156 C177 1.410 . D C157 S329 1.728 . S C158 C159 1.450 . S C158 O395 1.268 . S C158 O396 1.275 . D C159 C160 1.367 . D C159 S330 1.747 . S C160 C161 1.434 . S C161 C187 1.410 . S C161 C162 1.409 . D C162 S330 1.727 . S C163 O398 1.276 . D C163 C164 1.448 . S C163 O397 1.268 . S C164 S331 1.747 . S C164 C165 1.367 . D C165 C166 1.434 . S C166 C167 1.410 . D C166 C192 1.409 . S C167 S331 1.727 . S C168 C169 1.450 . S C168 O399 1.268 . D C168 O400 1.275 . S C169 S332 1.747 . S C169 C170 1.368 . D C170 C171 1.433 . S C171 C182 1.410 . D C171 C172 1.410 . S C172 S332 1.728 . S C173 O402 1.276 . D C173 C174 1.449 . S C173 O401 1.268 . S C174 S333 1.747 . S C174 C175 1.367 . D C175 C176 1.434 . S C176 C177 1.409 . S C177 S333 1.727 . S C178 C179 1.448 . S C178 O403 1.268 . S C178 O404 1.276 . D C179 S334 1.746 . S C179 C180 1.367 . D C180 C181 1.434 . S C181 C182 1.409 . S C182 S334 1.726 . S C183 O405 1.266 . D C183 O406 1.277 . S C183 C184 1.449 . S C184 C185 1.366 . D C184 S335 1.747 . S C185 C186 1.434 . S C186 C187 1.410 . D C187 S335 1.728 . S C188 C189 1.449 . S C188 O407 1.266 . D C188 O408 1.276 . S C189 C190 1.367 . D C189 S336 1.748 . S C190 C191 1.434 . S C191 C192 1.410 . D C192 S336 1.728 . S C193 O410 1.278 . D C193 C194 1.451 1_554 S C193 O409 1.264 1_554 S C194 C195 1.367 . D C194 S337 1.749 . S C194 C193 1.451 1_556 S C195 C196 1.434 . S C196 C217 1.409 . D C196 C197 1.408 . S C197 C236 1.409 . D C197 S337 1.728 . S C198 O411 1.266 . D C198 O412 1.278 . S C198 C199 1.448 . S C199 C200 1.367 . D C199 S338 1.745 . S C200 C201 1.433 . S C201 C202 1.410 . D C201 C227 1.410 . S C202 S338 1.726 . S C202 C251 1.410 . S C203 O414 1.277 . D C203 C204 1.449 1_455 S C203 O413 1.265 1_455 S C204 S339 1.746 . S C204 C205 1.368 . D C204 C203 1.449 1_655 S C205 C206 1.433 . S C206 C232 1.409 . D C206 C207 1.410 . S C207 S339 1.726 . S C207 C241 1.410 . D C208 O416 1.277 . D C208 C209 1.451 1_545 S C208 O415 1.267 1_545 S C209 S340 1.750 . S C209 C210 1.368 . D C209 C208 1.451 1_565 S C210 C211 1.435 . S C211 C212 1.409 . D C211 C222 1.410 . S C212 C246 1.410 . S C212 S340 1.728 . S C213 O418 1.278 . D C213 C214 1.450 1_545 S C213 O417 1.268 1_545 S C214 C215 1.367 . D C214 S341 1.746 . S C214 C213 1.450 1_565 S C215 C216 1.434 . S C216 C217 1.410 . S C216 C237 1.410 . D C217 S341 1.725 . S C218 O420 1.277 . D C218 C219 1.449 1_554 S C218 O419 1.268 1_554 S C219 C220 1.368 . D C219 S342 1.748 . S C219 C218 1.449 1_556 S C220 C221 1.434 . S C221 C247 1.410 . S C221 C222 1.410 . D C222 S342 1.727 . S C223 O422 1.278 . D C223 C224 1.449 1_455 S C223 O421 1.268 1_455 S C224 S343 1.748 . S C224 C225 1.368 . D C224 C223 1.449 1_655 S C225 C226 1.434 . S C226 C227 1.409 . D C226 C252 1.410 . S C227 S343 1.727 . S C228 C229 1.449 . S C228 O423 1.265 . D C228 O424 1.279 . S C229 S344 1.746 . S C229 C230 1.367 . D C230 C231 1.434 . S C231 C232 1.410 . S C231 C242 1.409 . D C232 S344 1.727 . S C233 O426 1.279 . D C233 C234 1.448 . S C233 O425 1.266 . S C234 S345 1.747 . S C234 C235 1.367 . D C235 C236 1.433 . S C236 C237 1.409 . S C237 S345 1.728 . S C238 O428 1.277 . D C238 C239 1.453 1_545 S C238 O427 1.264 1_545 S C239 S346 1.749 . S C239 C240 1.368 . D C239 C238 1.453 1_565 S C240 C241 1.434 . S C241 C242 1.409 . S C242 S346 1.727 . S C243 O430 1.278 . D C243 C244 1.450 1_455 S C243 O429 1.267 1_455 S C244 C245 1.367 . D C244 S347 1.748 . S C244 C243 1.450 1_655 S C245 C246 1.434 . S C246 C247 1.410 . D C247 S347 1.728 . S C248 O432 1.277 . D C248 C249 1.450 1_554 S C248 O431 1.267 1_554 S C249 C250 1.367 . D C249 S348 1.748 . S C249 C248 1.450 1_556 S C250 C251 1.435 . S C251 C252 1.409 . D C252 S348 1.727 . S C253 O434 1.276 . D C253 O433 1.268 . S C253 C254 1.448 . S C254 S349 1.746 . S C254 C255 1.368 . D C255 C256 1.433 . S C256 C257 1.411 . D C256 C277 1.409 . S C257 S349 1.726 . S C257 C296 1.409 . S C258 C259 1.449 . S C258 O436 1.277 . D C258 O435 1.267 . S C259 S350 1.748 . S C259 C260 1.367 . D C260 C261 1.434 . S C261 C287 1.409 . D C261 C262 1.410 . S C262 C311 1.409 . D C262 S350 1.728 . S C263 O438 1.277 . D C263 O437 1.266 . S C263 C264 1.449 . S C264 C265 1.367 . D C264 S351 1.747 . S C265 C266 1.434 . S C266 C292 1.410 . S C266 C267 1.409 . D C267 C301 1.409 . S C267 S351 1.728 . S C268 O439 1.268 . D C268 C269 1.449 . S C268 O440 1.277 . S C269 C270 1.367 . D C269 S352 1.748 . S C270 C271 1.434 . S C271 C282 1.410 . D C271 C272 1.410 . S C272 S352 1.727 . S C272 C306 1.409 . D C273 C274 1.449 . S C273 O442 1.276 . D C273 O441 1.267 . S C274 S353 1.747 . S C274 C275 1.367 . D C275 C276 1.434 . S C276 C297 1.410 . S C276 C277 1.409 . D C277 S353 1.728 . S C278 O444 1.276 . D C278 O443 1.267 . S C278 C279 1.449 . S C279 S354 1.747 . S C279 C280 1.367 . D C280 C281 1.434 . S C281 C282 1.409 . S C281 C307 1.410 . D C282 S354 1.727 . S C283 O445 1.268 . S C283 C284 1.447 . S C283 O446 1.276 . D C284 C285 1.367 . D C284 S355 1.747 . S C285 C286 1.434 . S C286 C312 1.410 . D C286 C287 1.410 . S C287 S355 1.726 . S C288 O448 1.277 . D C288 O447 1.267 . S C288 C289 1.450 . S C289 C290 1.367 . D C289 S356 1.748 . S C290 C291 1.434 . S C291 C292 1.409 . D C291 C302 1.409 . S C292 S356 1.729 . S C293 O449 1.268 . S C293 C294 1.448 . S C293 O450 1.276 . D C294 C295 1.367 . D C294 S357 1.747 . S C295 C296 1.433 . S C296 C297 1.410 . D C297 S357 1.727 . S C298 O452 1.276 . D C298 O451 1.268 . S C298 C299 1.448 . S C299 C300 1.367 . D C299 S358 1.747 . S C300 C301 1.434 . S C301 C302 1.410 . D C302 S358 1.726 . S C303 C304 1.449 . S C303 O454 1.277 . S C303 O453 1.266 . D C304 S359 1.747 . S C304 C305 1.367 . D C305 C306 1.435 . S C306 C307 1.410 . S C307 S359 1.728 . S C308 O456 1.277 . S C308 O455 1.267 . D C308 C309 1.449 . S C309 S360 1.747 . S C309 C310 1.366 . D C310 C311 1.434 . S C311 C312 1.410 . S C312 S360 1.727 . S O361 Cd17 2.231 1_545 S O361 C73 1.265 1_554 S O363 Cd19 2.229 1_455 S O365 C83 1.266 1_455 S O367 C88 1.268 1_545 S O367 Cd20 2.225 1_554 S O369 C93 1.268 1_545 S O371 Cd14 2.227 1_455 S O371 C98 1.268 1_554 S O373 C103 1.268 1_455 S O373 Cd15 2.224 1_554 S O375 Cd13 2.236 1_545 S O377 Cd22 2.235 1_554 S O379 C118 1.263 1_545 S O379 Cd24 2.222 1_455 S O381 C123 1.266 1_455 S O381 Cd21 2.231 1_545 S O383 C128 1.267 1_554 S O409 Cd20 2.231 1_565 S O409 C193 1.264 1_556 S O411 Cd18 2.228 1_655 S O413 C203 1.265 1_655 S O415 C208 1.267 1_565 S O415 Cd17 2.225 1_556 S O417 C213 1.268 1_565 S O419 Cd15 2.226 1_655 S O419 C218 1.268 1_556 S O421 C223 1.268 1_655 S O421 Cd14 2.224 1_556 S O423 Cd16 2.236 1_565 S O425 Cd23 2.236 1_556 S O427 C238 1.264 1_565 S O427 Cd21 2.222 1_655 S O429 C243 1.267 1_655 S O429 Cd24 2.231 1_565 S O431 C248 1.267 1_556 S