data_QAGQEW_modul_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 27.8156 _cell_length_b 27.8117 _cell_length_c 27.8123 _cell_angle_alpha 60.1652 _cell_angle_beta 60.1354 _cell_angle_gamma 60.2213 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 0.54615 0.08448 0.91078 0.00000 Uiso 1.00 Cd2 Cd 0.09046 0.54178 0.45363 0.00000 Uiso 1.00 Cd3 Cd 0.91372 0.45402 0.54076 0.00000 Uiso 1.00 Cd4 Cd 0.45688 0.91037 0.08564 0.00000 Uiso 1.00 Cd5 Cd 0.54684 0.90845 0.45288 0.00000 Uiso 1.00 Cd6 Cd 0.09005 0.45311 0.90933 0.00000 Uiso 1.00 Cd7 Cd 0.91360 0.54214 0.08572 0.00000 Uiso 1.00 Cd8 Cd 0.45658 0.08726 0.54217 0.00000 Uiso 1.00 Cd9 Cd 0.54586 0.45426 0.08564 0.00000 Uiso 1.00 Cd10 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S337 S 0.52142 0.72982 0.68188 0.00000 Uiso 1.00 S338 S 0.51875 0.06334 0.72971 0.00000 Uiso 1.00 S339 S 0.73458 0.68218 0.51588 0.00000 Uiso 1.00 S340 S 0.06687 0.51656 0.68214 0.00000 Uiso 1.00 S341 S 0.68657 0.72971 0.06256 0.00000 Uiso 1.00 S342 S 0.73253 0.06359 0.68205 0.00000 Uiso 1.00 S343 S 0.52019 0.68205 0.06286 0.00000 Uiso 1.00 S344 S 0.68686 0.51638 0.72957 0.00000 Uiso 1.00 S345 S 0.06724 0.72996 0.51606 0.00000 Uiso 1.00 O346 O 0.55196 0.05118 0.00844 0.00000 Uiso 1.00 O347 O 0.55054 0.13736 0.94577 0.00000 Uiso 1.00 O348 O 0.05580 0.54892 0.38312 0.00000 Uiso 1.00 O349 O 0.14226 0.54699 0.36101 0.00000 Uiso 1.00 O350 O 0.01198 0.38453 0.54692 0.00000 Uiso 1.00 O351 O 0.94946 0.36116 0.54643 0.00000 Uiso 1.00 O352 O 0.38602 0.00874 0.05091 0.00000 Uiso 1.00 O353 O 0.36419 0.94686 0.13742 0.00000 Uiso 1.00 O354 O 0.55007 0.00844 0.38435 0.00000 Uiso 1.00 O355 O 0.55211 0.94538 0.35991 0.00000 Uiso 1.00 O356 O 0.05470 0.38385 0.00862 0.00000 Uiso 1.00 O357 O 0.14063 0.36103 0.94586 0.00000 Uiso 1.00 O358 O 0.01189 0.54931 0.05104 0.00000 Uiso 1.00 O359 O 0.94985 0.54669 0.13764 0.00000 Uiso 1.00 O360 O 0.38600 0.05154 0.55030 0.00000 Uiso 1.00 O361 O 0.36433 0.13843 0.54687 0.00000 Uiso 1.00 O362 O 0.55306 0.38341 0.05086 0.00000 Uiso 1.00 O363 O 0.54994 0.36202 0.13760 0.00000 Uiso 1.00 O364 O 0.05481 0.00789 0.54903 0.00000 Uiso 1.00 O365 O 0.14171 0.94701 0.54634 0.00000 Uiso 1.00 O366 O 0.01110 0.05148 0.38321 0.00000 Uiso 1.00 O367 O 0.94846 0.13746 0.36083 0.00000 Uiso 1.00 O368 O 0.38791 0.54671 0.00835 0.00000 Uiso 1.00 O369 O 0.36446 0.54736 0.94525 0.00000 Uiso 1.00 O370 O 0.44962 0.94639 0.48757 0.00000 Uiso 1.00 O371 O 0.36325 0.94805 0.54955 0.00000 Uiso 1.00 O372 O 0.95009 0.44455 0.11236 0.00000 Uiso 1.00 O373 O 0.95096 0.35854 0.13461 0.00000 Uiso 1.00 O374 O 0.11734 0.48781 0.94520 0.00000 Uiso 1.00 O375 O 0.13991 0.54886 0.94872 0.00000 Uiso 1.00 O376 O 0.48995 0.11297 0.44466 0.00000 Uiso 1.00 O377 O 0.55248 0.13513 0.35850 0.00000 Uiso 1.00 O378 O 0.49238 0.94586 0.11223 0.00000 Uiso 1.00 O379 O 0.55473 0.94774 0.13452 0.00000 Uiso 1.00 O380 O 0.11607 0.44451 0.48744 0.00000 Uiso 1.00 O381 O 0.13836 0.35864 0.55004 0.00000 Uiso 1.00 O382 O 0.95116 0.48800 0.44343 0.00000 Uiso 1.00 O383 O 0.95251 0.54994 0.35723 0.00000 Uiso 1.00 O384 O 0.44806 0.11320 0.94577 0.00000 Uiso 1.00 O385 O 0.36135 0.13569 0.94854 0.00000 Uiso 1.00 O386 O 0.11777 0.94675 0.44422 0.00000 Uiso 1.00 O387 O 0.13955 0.94793 0.35819 0.00000 Uiso 1.00 O388 O 0.49238 0.44404 0.94538 0.00000 Uiso 1.00 O389 O 0.55297 0.35738 0.94823 0.00000 Uiso 1.00 O390 O 0.44824 0.48726 0.11276 0.00000 Uiso 1.00 O391 O 0.36216 0.54970 0.13492 0.00000 Uiso 1.00 O392 O 0.94894 0.11265 0.48731 0.00000 Uiso 1.00 O393 O 0.95123 0.13475 0.54947 0.00000 Uiso 1.00 O394 O 0.45033 0.94524 0.98710 0.00000 Uiso 1.00 O395 O 0.45339 0.85853 0.04875 0.00000 Uiso 1.00 O396 O 0.94792 0.44678 0.61158 0.00000 Uiso 1.00 O397 O 0.86158 0.44868 0.63356 0.00000 Uiso 1.00 O398 O 0.99175 0.61100 0.44792 0.00000 Uiso 1.00 O399 O 0.05415 0.63446 0.44849 0.00000 Uiso 1.00 O400 O 0.61740 0.98704 0.94445 0.00000 Uiso 1.00 O401 O 0.63896 0.04848 0.85776 0.00000 Uiso 1.00 O402 O 0.45338 0.98730 0.61048 0.00000 Uiso 1.00 O403 O 0.45140 0.05024 0.63506 0.00000 Uiso 1.00 O404 O 0.94962 0.61191 0.98652 0.00000 Uiso 1.00 O405 O 0.86319 0.63435 0.04844 0.00000 Uiso 1.00 O406 O 0.99195 0.44592 0.94410 0.00000 Uiso 1.00 O407 O 0.05330 0.44933 0.85724 0.00000 Uiso 1.00 O408 O 0.61750 0.94409 0.44462 0.00000 Uiso 1.00 O409 O 0.63915 0.85718 0.44809 0.00000 Uiso 1.00 O410 O 0.44992 0.61210 0.94428 0.00000 Uiso 1.00 O411 O 0.45391 0.63355 0.85724 0.00000 Uiso 1.00 O412 O 0.94865 0.98777 0.44594 0.00000 Uiso 1.00 O413 O 0.86173 0.04861 0.44862 0.00000 Uiso 1.00 O414 O 0.99250 0.94420 0.61167 0.00000 Uiso 1.00 O415 O 0.05493 0.85814 0.63418 0.00000 Uiso 1.00 O416 O 0.61564 0.44768 0.98670 0.00000 Uiso 1.00 O417 O 0.63865 0.44872 0.04906 0.00000 Uiso 1.00 O418 O 0.55389 0.04921 0.50744 0.00000 Uiso 1.00 O419 O 0.64024 0.04751 0.44545 0.00000 Uiso 1.00 O420 O 0.05367 0.55083 0.88242 0.00000 Uiso 1.00 O421 O 0.05301 0.63663 0.86071 0.00000 Uiso 1.00 O422 O 0.88671 0.50772 0.04915 0.00000 Uiso 1.00 O423 O 0.86410 0.44564 0.04721 0.00000 Uiso 1.00 O424 O 0.51357 0.88261 0.55039 0.00000 Uiso 1.00 O425 O 0.45093 0.86049 0.63646 0.00000 Uiso 1.00 O426 O 0.51109 0.04974 0.88278 0.00000 Uiso 1.00 O427 O 0.44830 0.04845 0.86071 0.00000 Uiso 1.00 O428 O 0.88753 0.55132 0.50735 0.00000 Uiso 1.00 O429 O 0.86507 0.63717 0.44484 0.00000 Uiso 1.00 O430 O 0.05283 0.50781 0.55118 0.00000 Uiso 1.00 O431 O 0.05108 0.44580 0.63748 0.00000 Uiso 1.00 O432 O 0.55507 0.88245 0.04919 0.00000 Uiso 1.00 O433 O 0.64157 0.86056 0.04713 0.00000 Uiso 1.00 O434 O 0.88569 0.04878 0.55087 0.00000 Uiso 1.00 O435 O 0.86385 0.04779 0.63682 0.00000 Uiso 1.00 O436 O 0.51095 0.55145 0.04871 0.00000 Uiso 1.00 O437 O 0.44901 0.63755 0.04752 0.00000 Uiso 1.00 O438 O 0.55484 0.50847 0.88212 0.00000 Uiso 1.00 O439 O 0.64062 0.44552 0.86049 0.00000 Uiso 1.00 O440 O 0.05453 0.88295 0.50770 0.00000 Uiso 1.00 O441 O 0.05222 0.86083 0.44559 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 O347 2.201 . S Cd1 O384 2.235 . S Cd1 O401 2.225 . S Cd1 O426 2.221 . S Cd1 O346 2.459 1_556 S Cd2 O430 2.225 . S Cd2 O349 2.207 . S Cd2 O380 2.221 . S Cd2 O399 2.208 . S Cd3 O397 2.212 . S Cd3 O351 2.210 . S Cd3 O382 2.220 . S Cd3 O396 2.471 . S Cd3 O428 2.221 . S Cd4 O353 2.216 . S Cd4 O378 2.218 . S Cd4 O395 2.202 . S Cd4 O432 2.238 . S Cd5 O424 2.225 . S Cd5 O355 2.212 . S Cd5 O370 2.222 . S Cd5 O409 2.203 . S Cd6 O357 2.197 . S Cd6 O374 2.223 . S Cd6 O407 2.211 . S Cd6 O420 2.229 . S Cd7 O359 2.208 . S Cd7 O372 2.226 . S Cd7 O405 2.202 . S Cd7 O422 2.225 . S Cd8 O403 2.210 . S Cd8 O361 2.202 . S Cd8 O376 2.225 . S Cd8 O418 2.224 . S Cd9 O363 2.206 . S Cd9 O390 2.227 . S Cd9 O417 2.206 . S Cd9 O436 2.220 . S Cd10 O365 2.195 . S Cd10 O386 2.228 . S Cd10 O415 2.202 . S Cd10 O440 2.218 . S Cd11 O367 2.202 . S Cd11 O392 2.218 . S Cd11 O413 2.196 . S Cd11 O434 2.229 . S Cd12 O388 2.223 . S Cd12 O369 2.203 . S Cd12 O411 2.209 . S Cd12 O438 2.228 . S Cd13 O371 2.210 . S Cd13 O402 2.216 . S Cd13 O425 2.210 . S Cd13 O370 2.470 . S Cd13 O360 2.238 1_565 S Cd14 O423 2.212 . S Cd14 O373 2.210 . S Cd14 O356 2.230 1_655 S Cd14 O406 2.223 1_554 S Cd15 O421 2.203 . S Cd15 O375 2.218 . S Cd15 O358 2.226 1_556 S Cd15 O404 2.221 1_455 S Cd16 O377 2.211 . S Cd16 O354 2.217 . S Cd16 O419 2.209 . S Cd16 O418 2.469 . S Cd16 O408 2.236 1_545 S Cd17 O433 2.206 . S Cd17 O379 2.209 . S Cd17 O346 2.238 1_565 S Cd17 O400 2.216 1_554 S Cd18 O350 2.225 . S Cd18 O381 2.212 . S Cd18 O431 2.212 . S Cd18 O396 2.226 1_455 S Cd19 O383 2.217 . S Cd19 O429 2.214 . S Cd19 O398 2.222 . S Cd19 O382 2.470 . S Cd19 O348 2.230 1_655 S Cd20 O427 2.205 . S Cd20 O385 2.216 . S Cd20 O352 2.222 1_556 S Cd20 O394 2.227 1_545 S Cd21 O387 2.214 . S Cd21 O441 2.215 . S Cd21 O366 2.225 1_565 S Cd21 O412 2.230 1_455 S Cd22 O439 2.205 . S Cd22 O389 2.229 . S Cd22 O416 2.222 . S Cd22 O388 2.463 . S Cd22 O362 2.228 1_556 S Cd23 O368 2.225 . S Cd23 O437 2.217 . S Cd23 O391 2.210 . S Cd23 O436 2.472 . S Cd23 O410 2.226 1_554 S Cd24 O393 2.215 . S Cd24 O435 2.214 . S Cd24 O364 2.231 1_655 S Cd24 O414 2.223 1_545 S H25 C72 1.090 . S H26 C77 1.089 . S H27 C82 1.090 . S H28 C87 1.089 . S H29 C92 1.090 . S H30 C97 1.091 . S H31 C102 1.089 . S H32 C107 1.091 . S H33 C112 1.090 . S H34 C117 1.090 . S H35 C122 1.090 . S H36 C127 1.091 . S H37 C132 1.090 . S H38 C137 1.091 . S H39 C143 1.090 . S H40 C148 1.090 . S H41 C153 1.090 . S H42 C158 1.091 . S H43 C164 1.090 . S H44 C170 1.089 . S H45 C175 1.090 . S H46 C180 1.089 . S H47 C185 1.090 . S H48 C190 1.090 . S H49 C198 1.090 . S H50 C203 1.089 . S H51 C208 1.090 . S H52 C213 1.090 . S H53 C218 1.091 . S H54 C223 1.090 . S H55 C228 1.090 . S H56 C233 1.090 . S H57 C238 1.090 . S H58 C243 1.090 . S H59 C248 1.091 . S H60 C253 1.090 . S H61 C258 1.091 . S H62 C263 1.089 . S H63 C268 1.090 . S H64 C273 1.090 . S H65 C278 1.090 . S H66 C283 1.090 . S H67 C288 1.090 . S H68 C293 1.090 . S H69 C298 1.091 . S C70 O347 1.276 . D C70 C71 1.451 1_556 S C70 O346 1.269 1_556 S C71 S301 1.750 . S C71 C72 1.366 . D C71 C70 1.451 1_554 S C72 C73 1.435 . S C73 C74 1.408 . D C73 C94 1.410 . S C74 S301 1.732 . S C74 C113 1.409 . S C75 C76 1.452 . S C75 O349 1.277 . D C75 O348 1.266 . S C76 S302 1.748 . S C76 C77 1.367 . D C77 C78 1.434 . S C78 C104 1.409 . D C78 C79 1.410 . S C79 C128 1.411 . D C79 S302 1.730 . S C80 O351 1.277 . D C80 C81 1.451 1_655 S C80 O350 1.269 1_655 S C81 C82 1.367 . D C81 S303 1.747 . S C81 C80 1.451 1_455 S C82 C83 1.434 . S C83 C84 1.409 . D C83 C109 1.410 . S C84 S303 1.729 . S C84 C118 1.409 . S C85 O353 1.277 . D C85 C86 1.451 1_565 S C85 O352 1.267 1_565 S C86 C87 1.368 . D C86 S304 1.748 . S C86 C85 1.451 1_545 S C87 C88 1.435 . S C88 C99 1.410 . D C88 C89 1.409 . S C89 S304 1.730 . S C89 C123 1.411 . D C90 O355 1.277 . D C90 C91 1.452 1_565 S C90 O354 1.267 1_565 S C91 S305 1.748 . S C91 C92 1.368 . D C91 C90 1.452 1_545 S C92 C93 1.435 . S C93 C114 1.411 . S C93 C94 1.408 . D C94 S305 1.729 . S C95 O357 1.277 . D C95 C96 1.450 1_556 S C95 O356 1.268 1_556 S C96 S306 1.752 . S C96 C97 1.367 . D C96 C95 1.450 1_554 S C97 C98 1.435 . S C98 C99 1.410 . S C98 C124 1.410 . D C99 S306 1.733 . S C100 O359 1.276 . D C100 C101 1.451 1_655 S C100 O358 1.266 1_655 S C101 C102 1.367 . D C101 S307 1.747 . S C101 C100 1.451 1_455 S C102 C103 1.433 . S C103 C129 1.409 . D C103 C104 1.410 . S C104 S307 1.730 . S C105 O361 1.278 . D C105 O360 1.264 . S C105 C106 1.452 . S C106 C107 1.366 . D C106 S308 1.749 . S C107 C108 1.434 . S C108 C119 1.409 . S C108 C109 1.409 . D C109 S308 1.730 . S C110 O362 1.266 . D C110 C111 1.451 . S C110 O363 1.276 . S C111 C112 1.366 . D C111 S309 1.747 . S C112 C113 1.434 . S C113 C114 1.410 . D C114 S309 1.729 . S C115 O365 1.279 . D C115 C116 1.450 1_565 S C115 O364 1.263 1_565 S C116 C117 1.367 . D C116 S310 1.747 . S C116 C115 1.450 1_545 S C117 C118 1.434 . S C118 C119 1.410 . D C119 S310 1.727 . S C120 O367 1.277 . D C120 C121 1.451 1_655 S C120 O366 1.265 1_655 S C121 S311 1.748 . S C121 C122 1.367 . D C121 C120 1.451 1_455 S C122 C123 1.435 . S C123 C124 1.410 . S C124 S311 1.729 . S C125 O369 1.276 . D C125 C126 1.451 1_556 S C125 O368 1.270 1_556 S C126 S312 1.752 . S C126 C127 1.367 . D C126 C125 1.451 1_554 S C127 C128 1.434 . S C128 C129 1.408 . S C129 S312 1.733 . S C130 C131 1.450 . S C130 O370 1.269 . S C130 O371 1.276 . D C131 C132 1.367 . D C131 S313 1.747 . S C132 C133 1.434 . S C133 C150 1.410 . D C133 C134 1.410 . S C134 C165 1.409 . D C134 S313 1.729 . S C135 O372 1.267 . D C135 O373 1.276 . S C135 C136 1.451 . S C136 C137 1.366 . D C136 S314 1.748 . S C137 C138 1.433 . S C138 C139 1.409 . D C138 C160 1.410 . S C139 S314 1.729 . S C139 C176 1.411 . S C140 H194 1.081 . S C140 O374 1.265 . D C140 O375 1.269 . S C141 O377 1.277 . D C141 C142 1.452 . S C141 O376 1.266 . S C142 S315 1.748 . S C142 C143 1.368 . D C143 C144 1.434 . S C144 C145 1.409 . D C144 C155 1.411 . S C145 C171 1.411 . S C145 S315 1.729 . S C146 O378 1.267 . D C146 O379 1.276 . S C146 C147 1.451 . S C147 C148 1.367 . D C147 S316 1.748 . S C148 C149 1.434 . S C149 C150 1.409 . S C149 C166 1.410 . D C150 S316 1.731 . S C151 C152 1.451 . S C151 O380 1.267 . D C151 O381 1.276 . S C152 C153 1.368 . D C152 S317 1.748 . S C153 C154 1.434 . S C154 C172 1.411 . S C154 C155 1.410 . D C155 S317 1.729 . S C156 O383 1.277 . D C156 C157 1.452 . S C156 O382 1.268 . S C157 S318 1.747 . S C157 C158 1.367 . D C158 C159 1.435 . S C159 C160 1.410 . D C159 C177 1.410 . S C160 S318 1.729 . S C161 H195 1.083 . S C161 O384 1.263 . D C161 O385 1.270 . S C162 O387 1.277 . S C162 C163 1.452 . S C162 O386 1.268 . D C163 S319 1.749 . S C163 C164 1.367 . D C164 C165 1.434 . S C165 C166 1.410 . S C166 S319 1.731 . S C167 H196 1.082 . S C167 O388 1.265 . S C167 O389 1.269 . D C168 O390 1.266 . D C168 O391 1.277 . S C168 C169 1.453 . S C169 C170 1.367 . D C169 S320 1.748 . S C170 C171 1.434 . S C171 C172 1.409 . D C172 S320 1.730 . S C173 C174 1.451 . S C173 O392 1.268 . D C173 O393 1.276 . S C174 C175 1.368 . D C174 S321 1.749 . S C175 C176 1.434 . S C176 C177 1.410 . D C177 S321 1.731 . S C178 O395 1.278 . D C178 C179 1.451 1_554 S C178 O394 1.267 1_554 S C179 C180 1.368 . D C179 S322 1.749 . S C179 C178 1.451 1_556 S C180 C181 1.434 . S C181 C205 1.410 . D C181 C182 1.409 . S C182 C224 1.410 . D C182 S322 1.731 . S C183 O396 1.268 . S C183 O397 1.276 . D C183 C184 1.450 . S C184 C185 1.367 . D C184 S323 1.748 . S C185 C186 1.435 . S C186 C187 1.409 . D C186 C215 1.410 . S C187 S323 1.730 . S C187 C239 1.410 . S C188 O399 1.277 . D C188 C189 1.450 1_455 S C188 O398 1.268 1_455 S C189 S324 1.748 . S C189 C190 1.367 . D C189 C188 1.450 1_655 S C190 C191 1.435 . S C191 C220 1.411 . D C191 C192 1.409 . S C192 C229 1.409 . D C192 S324 1.729 . S C193 O401 1.275 . D C193 C197 1.452 1_545 S C193 O400 1.270 1_545 S C197 S325 1.749 . S C197 C198 1.368 . D C197 C193 1.452 1_565 S C198 C199 1.435 . S C199 C200 1.410 . D C199 C210 1.411 . S C200 C234 1.411 . S C200 S325 1.730 . S C201 O403 1.276 . D C201 C202 1.450 1_545 S C201 O402 1.269 1_545 S C202 C203 1.368 . D C202 S326 1.749 . S C202 C201 1.450 1_565 S C203 C204 1.435 . S C204 C205 1.410 . S C204 C225 1.410 . D C205 S326 1.729 . S C206 O405 1.277 . D C206 C207 1.451 1_554 S C206 O404 1.266 1_554 S C207 C208 1.367 . D C207 S327 1.750 . S C207 C206 1.451 1_556 S C208 C209 1.435 . S C209 C235 1.409 . S C209 C210 1.410 . D C210 S327 1.729 . S C211 O407 1.276 . D C211 C212 1.452 1_455 S C211 O406 1.267 1_455 S C212 S328 1.748 . S C212 C213 1.367 . D C212 C211 1.452 1_655 S C213 C214 1.433 . S C214 C215 1.410 . D C214 C240 1.409 . S C215 S328 1.729 . S C216 C217 1.451 . S C216 O408 1.265 . D C216 O409 1.278 . S C217 S329 1.749 . S C217 C218 1.367 . D C218 C219 1.434 . S C219 C220 1.409 . S C219 C230 1.409 . D C220 S329 1.730 . S C221 O411 1.277 . S C221 C222 1.452 . S C221 O410 1.266 . D C222 S330 1.748 . S C222 C223 1.367 . D C223 C224 1.434 . S C224 C225 1.410 . S C225 S330 1.729 . S C226 O413 1.279 . D C226 C227 1.449 1_545 S C226 O412 1.263 1_545 S C227 S331 1.748 . S C227 C228 1.368 . D C227 C226 1.449 1_565 S C228 C229 1.434 . S C229 C230 1.410 . S C230 S331 1.728 . S C231 O415 1.278 . D C231 C232 1.451 1_455 S C231 O414 1.265 1_455 S C232 C233 1.367 . D C232 S332 1.747 . S C232 C231 1.451 1_655 S C233 C234 1.434 . S C234 C235 1.410 . D C235 S332 1.728 . S C236 O417 1.277 . D C236 C237 1.451 1_554 S C236 O416 1.268 1_554 S C237 C238 1.367 . D C237 S333 1.749 . S C237 C236 1.451 1_556 S C238 C239 1.435 . S C239 C240 1.410 . D C240 S333 1.729 . S C241 O419 1.277 . D C241 O418 1.268 . S C241 C242 1.451 . S C242 S334 1.748 . S C242 C243 1.367 . D C243 C244 1.434 . S C244 C245 1.410 . D C244 C265 1.410 . S C245 S334 1.729 . S C245 C284 1.410 . S C246 C247 1.451 . S C246 O421 1.278 . D C246 O420 1.266 . S C247 S335 1.747 . S C247 C248 1.367 . D C248 C249 1.433 . S C249 C275 1.410 . D C249 C250 1.409 . S C250 C299 1.409 . D C250 S335 1.731 . S C251 O423 1.277 . D C251 O422 1.266 . S C251 C252 1.452 . S C252 C253 1.367 . D C252 S336 1.749 . S C253 C254 1.435 . S C254 C280 1.410 . S C254 C255 1.410 . D C255 S336 1.730 . S C255 C289 1.410 . S C256 O424 1.267 . D C256 C257 1.452 . S C256 O425 1.277 . S C257 C258 1.367 . D C257 S337 1.748 . S C258 C259 1.435 . S C259 C270 1.410 . D C259 C260 1.409 . S C260 S337 1.730 . S C260 C294 1.411 . D C261 C262 1.451 . S C261 O427 1.277 . D C261 O426 1.266 . S C262 S338 1.748 . S C262 C263 1.368 . D C263 C264 1.433 . S C264 C285 1.410 . S C264 C265 1.410 . D C265 S338 1.730 . S C266 O429 1.277 . D C266 O428 1.267 . S C266 C267 1.452 . S C267 S339 1.749 . S C267 C268 1.367 . D C268 C269 1.435 . S C269 C270 1.410 . S C269 C295 1.410 . D C270 S339 1.730 . S C271 O430 1.268 . D C271 C272 1.451 . S C271 O431 1.277 . S C272 C273 1.368 . D C272 S340 1.748 . S C273 C274 1.434 . S C274 C300 1.411 . D C274 C275 1.409 . S C275 S340 1.729 . S C276 O433 1.278 . D C276 O432 1.266 . S C276 C277 1.452 . S C277 C278 1.367 . D C277 S341 1.749 . S C278 C279 1.434 . S C279 C280 1.409 . D C279 C290 1.409 . S C280 S341 1.731 . S C281 O434 1.268 . D C281 C282 1.452 . S C281 O435 1.276 . S C282 C283 1.368 . D C282 S342 1.749 . S C283 C284 1.434 . S C284 C285 1.409 . D C285 S342 1.731 . S C286 O437 1.276 . D C286 O436 1.268 . S C286 C287 1.450 . S C287 C288 1.368 . D C287 S343 1.748 . S C288 C289 1.434 . S C289 C290 1.410 . D C290 S343 1.730 . S C291 C292 1.452 . S C291 O439 1.278 . S C291 O438 1.265 . D C292 S344 1.748 . S C292 C293 1.367 . D C293 C294 1.434 . S C294 C295 1.410 . S C295 S344 1.731 . S C296 O441 1.276 . S C296 O440 1.268 . D C296 C297 1.452 . S C297 S345 1.748 . S C297 C298 1.367 . D C298 C299 1.435 . S C299 C300 1.410 . S C300 S345 1.730 . S O346 Cd17 2.238 1_545 S O346 Cd1 2.459 1_554 S O346 C70 1.269 1_554 S O348 Cd19 2.230 1_455 S O350 C80 1.269 1_455 S O352 C85 1.267 1_545 S O352 Cd20 2.222 1_554 S O354 C90 1.267 1_545 S O356 Cd14 2.230 1_455 S O356 C95 1.268 1_554 S O358 C100 1.266 1_455 S O358 Cd15 2.226 1_554 S O360 Cd13 2.238 1_545 S O362 Cd22 2.228 1_554 S O364 C115 1.263 1_545 S O364 Cd24 2.231 1_455 S O366 C120 1.265 1_455 S O366 Cd21 2.225 1_545 S O368 C125 1.270 1_554 S O394 Cd20 2.227 1_565 S O394 C178 1.267 1_556 S O396 Cd18 2.226 1_655 S O398 C188 1.268 1_655 S O400 C193 1.270 1_565 S O400 Cd17 2.216 1_556 S O402 C201 1.269 1_565 S O404 Cd15 2.221 1_655 S O404 C206 1.266 1_556 S O406 C211 1.267 1_655 S O406 Cd14 2.223 1_556 S O408 Cd16 2.236 1_565 S O410 Cd23 2.226 1_556 S O412 C226 1.263 1_565 S O412 Cd21 2.230 1_655 S O414 C231 1.265 1_655 S O414 Cd24 2.223 1_565 S O416 C236 1.268 1_556 S