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0.22817 0.33756 0.47616 0.00000 Uiso 1.00 C642 C 0.21204 0.32639 0.43280 0.00000 Uiso 1.00 X643 C 0.23072 0.35410 0.39701 0.00000 Uiso 1.00 C644 C 0.26571 0.39343 0.40593 0.00000 Uiso 1.00 H645 H 0.30810 0.43541 0.45511 0.00000 Uiso 1.00 H646 H 0.21315 0.31547 0.50296 0.00000 Uiso 1.00 H647 H 0.18494 0.29604 0.42729 0.00000 Uiso 1.00 H648 H 0.28063 0.41581 0.37935 0.00000 Uiso 1.00 C649 C 0.40489 0.28027 0.95091 0.00000 Uiso 1.00 X650 C 0.37757 0.26149 0.98689 0.00000 Uiso 1.00 C651 C 0.33822 0.22644 0.97832 0.00000 Uiso 1.00 C652 C 0.32667 0.21036 0.93501 0.00000 Uiso 1.00 X653 C 0.35380 0.22944 0.89888 0.00000 Uiso 1.00 C654 C 0.39304 0.26472 0.90747 0.00000 Uiso 1.00 H655 H 0.43521 0.30747 0.95631 0.00000 Uiso 1.00 H656 H 0.31648 0.21120 1.00536 0.00000 Uiso 1.00 H657 H 0.29643 0.18301 0.92978 0.00000 Uiso 1.00 H658 H 0.41501 0.27995 0.88062 0.00000 Uiso 1.00 C659 C 0.40103 0.12222 0.54834 0.00000 Uiso 1.00 X660 C 0.37315 0.11311 0.51280 0.00000 Uiso 1.00 C661 C 0.33372 0.10837 0.52188 0.00000 Uiso 1.00 C662 C 0.32281 0.11349 0.56531 0.00000 Uiso 1.00 X663 C 0.35071 0.12251 0.60093 0.00000 Uiso 1.00 C664 C 0.38983 0.12645 0.59183 0.00000 Uiso 1.00 H665 H 0.43144 0.12571 0.54251 0.00000 Uiso 1.00 H666 H 0.31160 0.10147 0.49515 0.00000 Uiso 1.00 H667 H 0.29259 0.11050 0.57100 0.00000 Uiso 1.00 H668 H 0.41232 0.13382 0.61828 0.00000 Uiso 1.00 C669 C 0.76422 0.15553 0.97252 0.00000 Uiso 1.00 X670 C 0.73481 0.11507 0.98641 0.00000 Uiso 1.00 C671 C 0.72496 0.08186 0.95662 0.00000 Uiso 1.00 C672 C 0.74380 0.08905 0.91432 0.00000 Uiso 1.00 X673 C 0.77266 0.12969 0.90046 0.00000 Uiso 1.00 C674 C 0.78257 0.16271 0.93030 0.00000 Uiso 1.00 H675 H 0.77371 0.18187 0.99454 0.00000 Uiso 1.00 H676 H 0.70218 0.05025 0.96569 0.00000 Uiso 1.00 H677 H 0.73515 0.06293 0.89217 0.00000 Uiso 1.00 H678 H 0.80493 0.19446 0.92111 0.00000 Uiso 1.00 C679 C 0.27881 0.87655 0.04774 0.00000 Uiso 1.00 X680 C 0.25979 0.88552 0.01232 0.00000 Uiso 1.00 C681 C 0.22494 0.88992 0.02163 0.00000 Uiso 1.00 C682 C 0.20906 0.88472 0.06513 0.00000 Uiso 1.00 X683 C 0.22822 0.87592 0.10064 0.00000 Uiso 1.00 C684 C 0.26350 0.87222 0.09134 0.00000 Uiso 1.00 H685 H 0.30587 0.87333 0.04176 0.00000 Uiso 1.00 H686 H 0.20953 0.89672 -0.00499 0.00000 Uiso 1.00 H687 H 0.18175 0.88753 0.07096 0.00000 Uiso 1.00 H688 H 0.27883 0.86502 0.11770 0.00000 Uiso 1.00 C689 C 0.12523 0.72006 0.45223 0.00000 Uiso 1.00 X690 C 0.11617 0.73883 0.48785 0.00000 Uiso 1.00 C691 C 0.11141 0.77351 0.47872 0.00000 Uiso 1.00 C692 C 0.11608 0.78931 0.43523 0.00000 Uiso 1.00 X693 C 0.12471 0.77027 0.39947 0.00000 Uiso 1.00 C694 C 0.12903 0.73530 0.40861 0.00000 Uiso 1.00 H695 H 0.12872 0.69314 0.45805 0.00000 Uiso 1.00 H696 H 0.10453 0.78875 0.50545 0.00000 Uiso 1.00 H697 H 0.11286 0.81641 0.42959 0.00000 Uiso 1.00 H698 H 0.13619 0.72011 0.38207 0.00000 Uiso 1.00 C699 C 0.84514 0.23128 0.52485 0.00000 Uiso 1.00 X700 C 0.88569 0.26078 0.51131 0.00000 Uiso 1.00 C701 C 0.91862 0.27119 0.54164 0.00000 Uiso 1.00 C702 C 0.91102 0.25287 0.58424 0.00000 Uiso 1.00 X703 C 0.87026 0.22405 0.59778 0.00000 Uiso 1.00 C704 C 0.83755 0.21346 0.56733 0.00000 Uiso 1.00 H705 H 0.81903 0.22148 0.50240 0.00000 Uiso 1.00 H706 H 0.95026 0.29412 0.53287 0.00000 Uiso 1.00 H707 H 0.93689 0.26197 0.60689 0.00000 Uiso 1.00 H708 H 0.80574 0.19108 0.57628 0.00000 Uiso 1.00 C709 C 0.72107 0.59901 0.54883 0.00000 Uiso 1.00 X710 C 0.73986 0.62692 0.51331 0.00000 Uiso 1.00 C711 C 0.77459 0.66631 0.52244 0.00000 Uiso 1.00 C712 C 0.79063 0.67716 0.56587 0.00000 Uiso 1.00 X713 C 0.77173 0.64924 0.60146 0.00000 Uiso 1.00 C714 C 0.73651 0.61015 0.59233 0.00000 Uiso 1.00 H715 H 0.69411 0.56862 0.54297 0.00000 Uiso 1.00 H716 H 0.78983 0.68846 0.49573 0.00000 Uiso 1.00 H717 H 0.81789 0.70735 0.57159 0.00000 Uiso 1.00 H718 H 0.72137 0.58764 0.61875 0.00000 Uiso 1.00 C719 C 0.89001 0.66146 0.97812 0.00000 Uiso 1.00 X720 C 0.88539 0.62201 0.98678 0.00000 Uiso 1.00 C721 C 0.87636 0.59444 0.95093 0.00000 Uiso 1.00 C722 C 0.87236 0.60613 0.90751 0.00000 Uiso 1.00 X723 C 0.87647 0.64540 0.89886 0.00000 Uiso 1.00 C724 C 0.88517 0.67284 0.93484 0.00000 Uiso 1.00 H725 H 0.89683 0.68336 1.00507 0.00000 Uiso 1.00 H726 H 0.87294 0.56401 0.95642 0.00000 Uiso 1.00 H727 H 0.86516 0.58396 0.88076 0.00000 Uiso 1.00 H728 H 0.88824 0.70314 0.92955 0.00000 Uiso 1.00 C729 C 0.66569 0.77608 0.02194 0.00000 Uiso 1.00 X730 C 0.62650 0.74114 0.01261 0.00000 Uiso 1.00 C731 C 0.59857 0.72195 0.04804 0.00000 Uiso 1.00 C732 C 0.60951 0.73720 0.09165 0.00000 Uiso 1.00 X733 C 0.64841 0.77259 0.10099 0.00000 Uiso 1.00 C734 C 0.67632 0.79190 0.06547 0.00000 Uiso 1.00 H735 H 0.68787 0.79158 -0.00468 0.00000 Uiso 1.00 H736 H 0.56836 0.69479 0.04204 0.00000 Uiso 1.00 H737 H 0.58701 0.72174 0.11801 0.00000 Uiso 1.00 H738 H 0.70639 0.81930 0.07133 0.00000 Uiso 1.00 C739 C 0.66520 0.89052 0.47923 0.00000 Uiso 1.00 X740 C 0.62585 0.88567 0.48906 0.00000 Uiso 1.00 C741 C 0.59764 0.87675 0.45386 0.00000 Uiso 1.00 C742 C 0.60851 0.87293 0.40999 0.00000 Uiso 1.00 X743 C 0.64761 0.87709 0.40019 0.00000 Uiso 1.00 C744 C 0.67577 0.88584 0.43549 0.00000 Uiso 1.00 H745 H 0.68758 0.89722 0.50563 0.00000 Uiso 1.00 H746 H 0.56724 0.87312 0.46025 0.00000 Uiso 1.00 H747 H 0.58580 0.86572 0.38382 0.00000 Uiso 1.00 H748 H 0.70598 0.88896 0.42932 0.00000 Uiso 1.00 C749 C 0.30386 0.55289 0.26958 0.00000 Uiso 1.00 X750 C 0.28802 0.57561 0.24750 0.00000 Uiso 1.00 C751 C 0.24959 0.55306 0.22513 0.00000 Uiso 1.00 C752 C 0.22758 0.50939 0.22529 0.00000 Uiso 1.00 X753 C 0.24377 0.48697 0.24697 0.00000 Uiso 1.00 C754 C 0.28228 0.50925 0.26889 0.00000 Uiso 1.00 H755 H 0.33272 0.56873 0.28810 0.00000 Uiso 1.00 H756 H 0.23659 0.56906 0.20686 0.00000 Uiso 1.00 H757 H 0.19815 0.49312 0.20776 0.00000 Uiso 1.00 H758 H 0.29539 0.49287 0.28630 0.00000 Uiso 1.00 C759 C 0.30383 0.75089 0.22727 0.00000 Uiso 1.00 X760 C 0.28778 0.71206 0.24882 0.00000 Uiso 1.00 C761 C 0.24905 0.69580 0.27062 0.00000 Uiso 1.00 C762 C 0.22695 0.71737 0.27041 0.00000 Uiso 1.00 X763 C 0.24334 0.75625 0.24928 0.00000 Uiso 1.00 C764 C 0.28214 0.77286 0.22792 0.00000 Uiso 1.00 H765 H 0.33296 0.76422 0.20921 0.00000 Uiso 1.00 H766 H 0.23588 0.66660 0.28852 0.00000 Uiso 1.00 H767 H 0.19731 0.70393 0.28754 0.00000 Uiso 1.00 H768 H 0.29541 0.80257 0.21096 0.00000 Uiso 1.00 C769 C 0.44737 0.69668 0.22727 0.00000 Uiso 1.00 X770 C 0.42448 0.71231 0.24938 0.00000 Uiso 1.00 C771 C 0.44686 0.75066 0.27194 0.00000 Uiso 1.00 C772 C 0.49053 0.77280 0.27190 0.00000 Uiso 1.00 X773 C 0.51313 0.75684 0.25017 0.00000 Uiso 1.00 C774 C 0.49103 0.71840 0.22808 0.00000 Uiso 1.00 H775 H 0.43167 0.66787 0.20863 0.00000 Uiso 1.00 H776 H 0.43074 0.76348 0.29028 0.00000 Uiso 1.00 H777 H 0.50665 0.80216 0.28957 0.00000 Uiso 1.00 H778 H 0.50756 0.70547 0.21065 0.00000 Uiso 1.00 C779 C 0.55211 0.24879 0.72805 0.00000 Uiso 1.00 X780 C 0.57466 0.28790 0.74916 0.00000 Uiso 1.00 C781 C 0.55190 0.30411 0.77044 0.00000 Uiso 1.00 C782 C 0.50822 0.28224 0.77012 0.00000 Uiso 1.00 X783 C 0.48596 0.24312 0.74938 0.00000 Uiso 1.00 C784 C 0.50844 0.22655 0.72860 0.00000 Uiso 1.00 H785 H 0.56812 0.23545 0.71042 0.00000 Uiso 1.00 H786 H 0.56770 0.33350 0.78799 0.00000 Uiso 1.00 H787 H 0.49182 0.29569 0.78682 0.00000 Uiso 1.00 H788 H 0.49221 0.19665 0.71196 0.00000 Uiso 1.00 C789 C 0.74723 0.30213 0.77407 0.00000 Uiso 1.00 X790 C 0.71109 0.28839 0.74812 0.00000 Uiso 1.00 C791 C 0.69737 0.25220 0.72225 0.00000 Uiso 1.00 C792 C 0.71924 0.23040 0.72225 0.00000 Uiso 1.00 X793 C 0.75530 0.24406 0.74834 0.00000 Uiso 1.00 C794 C 0.76897 0.28021 0.77428 0.00000 Uiso 1.00 H795 H 0.75841 0.32959 0.79477 0.00000 Uiso 1.00 H796 H 0.66994 0.24100 0.70149 0.00000 Uiso 1.00 H797 H 0.70780 0.20275 0.70181 0.00000 Uiso 1.00 H798 H 0.79655 0.29164 0.79483 0.00000 Uiso 1.00 C799 C 0.75070 0.44716 0.76893 0.00000 Uiso 1.00 X800 C 0.71160 0.42484 0.74778 0.00000 Uiso 1.00 C801 C 0.69542 0.44783 0.72695 0.00000 Uiso 1.00 C802 C 0.71734 0.49152 0.72770 0.00000 Uiso 1.00 X803 C 0.75649 0.51354 0.74844 0.00000 Uiso 1.00 C804 C 0.77299 0.49082 0.76882 0.00000 Uiso 1.00 H805 H 0.76401 0.43098 0.78629 0.00000 Uiso 1.00 H806 H 0.66600 0.43220 0.70942 0.00000 Uiso 1.00 H807 H 0.70394 0.50812 0.71134 0.00000 Uiso 1.00 H808 H 0.80289 0.50685 0.78547 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 X1 C2 1.407 . A X1 C6 1.410 . A X1 X450 1.496 1_655 S C2 X3 1.407 . A C2 H7 1.084 . S X3 C4 1.410 . A X3 X470 1.496 . S C4 X5 1.419 . A C4 H8 1.082 . S X5 C6 1.419 . A X5 X460 1.433 1_665 A C6 H9 1.083 . S X10 C11 1.420 . A X10 C15 1.415 . A X10 X480 1.435 1_665 A C11 X12 1.424 . A C11 H16 1.080 . S X12 C13 1.420 . A X12 X490 1.442 1_565 A C13 X14 1.408 . A C13 H17 1.081 . S X14 C15 1.406 . A X14 X500 1.499 . S C15 H18 1.083 . S X19 C20 1.410 . A X19 C24 1.410 . A X19 X750 1.503 . S C20 X21 1.410 . A C20 H25 1.081 . S X21 C22 1.410 . A X21 X760 1.503 . S C22 X23 1.410 . A C22 H26 1.081 . S X23 C24 1.410 . A X23 X770 1.503 . S C24 H27 1.081 . S X28 C29 1.413 . A X28 C33 1.410 . A X28 X780 1.504 . S C29 X30 1.412 . A C29 H34 1.081 . S X30 C31 1.410 . A X30 X800 1.504 . S C31 X32 1.407 . A C31 H35 1.082 . S X32 C33 1.407 . A X32 X790 1.495 . S C33 H36 1.082 . S X37 C38 1.418 . A X37 C42 1.413 . A X37 X510 1.438 1_556 A C38 X39 1.426 . A C38 H43 1.075 . S X39 C40 1.422 . A X39 X330 1.445 1_556 A C40 X41 1.411 . A C40 H44 1.080 . S X41 C42 1.402 . A X41 X650 1.499 . S C42 H45 1.081 . S X46 C47 1.409 . A X46 C51 1.405 . A X46 X660 1.496 . S C47 X48 1.412 . A C47 H52 1.083 . S X48 C49 1.413 . A X48 X340 1.499 . S C49 X50 1.412 . A C49 H53 1.083 . S X50 C51 1.411 . A X50 X530 1.502 1_545 S C51 H54 1.083 . S X55 C56 1.417 . A X55 C60 1.406 . A X55 X670 1.507 . S C56 X57 1.422 . A C56 H61 1.079 . S X57 C58 1.423 . A X57 X350 1.444 1_556 A C58 X59 1.409 . A C58 H62 1.078 . S X59 C60 1.407 . A X59 X540 1.504 1_546 S C60 H63 1.082 . S X64 C65 1.410 . A X64 C69 1.409 . A X64 X550 1.504 . S C65 X66 1.417 . A C65 H70 1.081 . S X66 C67 1.416 . A X66 X360 1.511 . S C67 X68 1.413 . A C67 H71 1.082 . S X68 C69 1.406 . A X68 X640 1.498 . S C69 H72 1.083 . S X73 C74 1.405 . A X73 C78 1.410 . A X73 X690 1.499 . S C74 X75 1.417 . A C74 H79 1.081 . S X75 C76 1.420 . A X75 X580 1.439 1_455 A C76 X77 1.420 . A C76 H80 1.079 . S X77 C78 1.414 . A X77 X400 1.515 . S C78 H81 1.082 . S X82 C83 1.408 . A X82 C87 1.407 . A X82 X630 1.497 . S C83 X84 1.409 . A C83 H88 1.084 . S X84 C85 1.412 . A X84 X410 1.500 1_554 S C85 X86 1.418 . A C85 H89 1.082 . S X86 C87 1.418 . A X86 X590 1.432 1_454 A C87 H90 1.082 . S X91 C92 1.408 . A X91 C96 1.409 . A X91 X700 1.505 . S C92 X93 1.421 . A C92 H97 1.079 . S X93 C94 1.420 . A X93 X520 1.437 1_655 A C94 X95 1.412 . A C94 H98 1.081 . S X95 C96 1.407 . A X95 X370 1.500 . S C96 H99 1.083 . S X100 C101 1.412 . A X100 C105 1.411 . A X100 X600 1.502 . S C101 X102 1.413 . A C101 H106 1.083 . S X102 C103 1.412 . A X102 X380 1.499 . S C103 X104 1.410 . A C103 H107 1.083 . S X104 C105 1.405 . A X104 X710 1.496 . S C105 H108 1.083 . S X109 C110 1.413 . A X109 C114 1.403 . A X109 X720 1.498 . S C110 X111 1.423 . A C110 H115 1.080 . S X111 C112 1.425 . A X111 X390 1.443 1_556 A C112 X113 1.409 . A C112 H116 1.078 . S X113 C114 1.405 . A X113 X570 1.504 1_656 S C114 H117 1.083 . S X118 C119 1.411 . A X118 C123 1.407 . A X118 X740 1.499 . S C119 X120 1.413 . A C119 H124 1.083 . S X120 C121 1.416 . A X120 X420 1.511 . S C121 X122 1.416 . A C121 H125 1.081 . S X122 C123 1.415 . A X122 X610 1.433 1_565 A C123 H126 1.082 . S X127 C128 1.405 . A X127 C132 1.406 . A X127 X680 1.497 . S C128 X129 1.419 . A C128 H133 1.081 . S X129 C130 1.421 . A X129 X560 1.437 1_564 A C130 X131 1.415 . A C130 H134 1.081 . S X131 C132 1.410 . A X131 X430 1.502 1_554 S C132 H135 1.083 . S X136 C137 1.421 . A X136 C141 1.417 . A X136 X620 1.438 1_554 A C137 X138 1.423 . A C137 H142 1.080 . S X138 C139 1.418 . A X138 X440 1.436 1_554 A C139 X140 1.406 . A C139 H143 1.082 . S X140 C141 1.402 . A X140 X730 1.497 . S C141 H144 1.081 . S Zn145 O149 1.833 . S Zn145 O150 1.791 . S Zn145 O154 1.822 . S Zn145 O161 1.810 . S Zn146 O149 1.868 . S Zn146 O151 1.851 . S Zn146 O153 1.849 . S Zn146 O157 1.849 . S Zn147 O149 1.832 . S Zn147 O152 1.810 . S Zn147 O155 1.786 . S Zn147 O158 1.819 . S Zn148 O149 1.833 . S Zn148 O156 1.812 . S Zn148 O159 1.788 . S Zn148 O160 1.821 . S O150 X162 1.272 . A O151 X163 1.280 . A O152 X164 1.273 . A O153 X162 1.280 . A O154 X164 1.274 . A O155 X163 1.271 . A O156 X165 1.273 . A O157 X166 1.280 . A O158 X165 1.274 . A O159 X166 1.271 . A O160 X167 1.274 . A O161 X167 1.273 . A X162 X333 1.502 . S X163 X393 1.502 . S X164 X383 1.497 . S X165 X373 1.497 . S X166 X353 1.502 . S X167 X343 1.497 . S Zn168 O172 1.833 . S Zn168 O173 1.826 . S Zn168 O177 1.794 . S Zn168 O184 1.813 . S Zn169 O172 1.831 . S Zn169 O174 1.789 . S Zn169 O176 1.807 . S Zn169 O180 1.822 . S Zn170 O172 1.866 . S Zn170 O175 1.851 . S Zn170 O178 1.849 . S Zn170 O181 1.848 . S Zn171 O172 1.833 . S Zn171 O179 1.791 . S Zn171 O182 1.813 . S Zn171 O183 1.824 . S O173 X185 1.276 . A O174 X186 1.271 . A O175 X187 1.280 . A O176 X185 1.273 . A O177 X187 1.272 . A O178 X186 1.279 . A O179 X188 1.272 . A O180 X189 1.274 . A O181 X188 1.280 . A O182 X189 1.273 . A O183 X190 1.275 . A O184 X190 1.274 . A X185 X413 1.497 . S X186 X363 1.499 . S X187 X403 1.502 . S X188 X423 1.499 . S X189 X443 1.495 . S X190 X433 1.499 . S Zn191 O195 1.834 . S Zn191 O196 1.790 . S Zn191 O200 1.823 . S Zn191 O207 1.817 . S Zn192 O195 1.843 . S Zn192 O197 1.803 . S Zn192 O199 1.834 . S Zn192 O203 1.805 . S Zn193 O195 1.844 . S Zn193 O198 1.806 . S Zn193 O201 1.807 . S Zn193 O204 1.835 . S Zn194 O195 1.833 . S Zn194 O202 1.788 . S Zn194 O205 1.824 . S Zn194 O206 1.818 . S O196 X208 1.270 . A O197 X209 1.273 . A O198 X210 1.273 . A O199 X208 1.277 . A O200 X210 1.275 . A O201 X209 1.273 . A O202 X211 1.271 . A O203 X212 1.272 . A O204 X211 1.276 . A O205 X212 1.275 . A O206 X213 1.275 . A O207 X213 1.274 . A X208 X513 1.497 . S X209 X753 1.487 . S X210 X633 1.496 . S X211 X523 1.497 . S X212 X643 1.496 . S X213 X463 1.490 . S Zn214 O218 1.833 . S Zn214 O219 1.825 . S Zn214 O223 1.792 . S Zn214 O230 1.822 . S Zn215 O218 1.842 . S Zn215 O220 1.803 . S Zn215 O222 1.805 . S Zn215 O226 1.835 . S Zn216 O218 1.843 . S Zn216 O221 1.836 . S Zn216 O224 1.809 . S Zn216 O227 1.802 . S Zn217 O218 1.834 . S Zn217 O225 1.824 . S Zn217 O228 1.791 . S Zn217 O229 1.818 . S O219 X231 1.276 . A O220 X232 1.273 . A O221 X233 1.276 . A O222 X231 1.272 . A O223 X233 1.271 . A O224 X232 1.274 . A O225 X234 1.276 . A O226 X235 1.277 . A O227 X234 1.272 . A O228 X235 1.271 . A O229 X236 1.275 . A O230 X236 1.276 . A X231 X653 1.496 . S X232 X783 1.488 . S X233 X563 1.498 . S X234 X663 1.495 . S X235 X553 1.497 . S X236 X483 1.492 . S Zn237 O241 1.832 . S Zn237 O242 1.790 . S Zn237 O246 1.825 . S Zn237 O253 1.819 . S Zn238 O241 1.841 . S Zn238 O243 1.805 . S Zn238 O245 1.832 . S Zn238 O249 1.804 . S Zn239 O241 1.841 . S Zn239 O244 1.808 . S Zn239 O247 1.804 . S Zn239 O250 1.834 . S Zn240 O241 1.832 . S Zn240 O248 1.791 . S Zn240 O251 1.823 . S Zn240 O252 1.817 . S O242 X254 1.271 . A O243 X255 1.273 . A O244 X256 1.273 . A O245 X254 1.276 . A O246 X256 1.276 . A O247 X255 1.273 . A O248 X257 1.271 . A O249 X258 1.272 . A O250 X257 1.277 . A O251 X258 1.275 . A O252 X259 1.275 . A O253 X259 1.275 . A X254 X533 1.495 . S X255 X763 1.487 . S X256 X693 1.497 . S X257 X573 1.496 . S X258 X683 1.495 . S X259 X453 1.495 . S Zn260 O264 1.832 . S Zn260 O265 1.790 . S Zn260 O269 1.822 . S Zn260 O276 1.816 . S Zn261 O264 1.842 . S Zn261 O266 1.805 . S Zn261 O268 1.833 . S Zn261 O272 1.804 . S Zn262 O264 1.842 . S Zn262 O267 1.810 . S Zn262 O270 1.805 . S Zn262 O273 1.834 . S Zn263 O264 1.834 . S Zn263 O271 1.791 . S Zn263 O274 1.823 . S Zn263 O275 1.818 . S O265 X277 1.271 . A O266 X278 1.273 . A O267 X279 1.273 . A O268 X277 1.276 . A O269 X279 1.275 . A O270 X278 1.273 . A O271 X280 1.271 . A O272 X281 1.272 . A O273 X280 1.277 . A O274 X281 1.275 . A O275 X282 1.275 . A O276 X282 1.275 . A X277 X603 1.495 . S X278 X773 1.487 . S X279 X743 1.497 . S X280 X543 1.496 . S X281 X733 1.495 . S X282 X473 1.495 . S Zn283 O287 1.816 . S Zn283 O288 1.793 . S Zn283 O292 1.781 . S Zn283 O299 1.807 . S Zn284 O287 1.843 . S Zn284 O289 1.828 . S Zn284 O291 1.833 . S Zn284 O295 1.850 . S Zn285 O287 1.842 . S Zn285 O290 1.845 . S Zn285 O293 1.823 . S Zn285 O296 1.830 . S Zn286 O287 1.816 . S Zn286 O294 1.794 . S Zn286 O297 1.781 . S Zn286 O298 1.807 . S O288 X300 1.270 . A O289 X301 1.280 . A O290 X302 1.279 . A O291 X300 1.275 . A O292 X302 1.270 . A O293 X301 1.279 . A O294 X303 1.270 . A O295 X304 1.280 . A O296 X303 1.275 . A O297 X304 1.270 . A O298 X305 1.273 . A O299 X305 1.273 . A X300 X613 1.492 . S X301 X493 1.503 . S X302 X703 1.495 . S X303 X593 1.491 . S X304 X673 1.497 . S X305 X793 1.491 . S Zn306 O310 1.834 . S Zn306 O311 1.825 . S Zn306 O315 1.796 . S Zn306 O322 1.821 . S Zn307 O310 1.842 . S Zn307 O312 1.806 . S Zn307 O314 1.801 . S Zn307 O318 1.835 . S Zn308 O310 1.842 . S Zn308 O313 1.837 . S Zn308 O316 1.807 . S Zn308 O319 1.806 . S Zn309 O310 1.832 . S Zn309 O317 1.823 . S Zn309 O320 1.791 . S Zn309 O321 1.819 . S O311 X323 1.276 . A O312 X324 1.273 . A O313 X325 1.277 . A O314 X323 1.272 . A O315 X325 1.272 . A O316 X324 1.273 . A O317 X326 1.275 . A O318 X327 1.276 . A O319 X326 1.273 . A O320 X327 1.271 . A O321 X328 1.275 . A O322 X328 1.276 . A X323 X713 1.495 . S X324 X803 1.488 . S X325 X583 1.500 . S X326 X723 1.496 . S X327 X623 1.498 . S X328 X503 1.497 . S C329 X330 1.417 . A C329 C334 1.399 . A C329 H335 1.079 . S X330 C331 1.422 . A X330 X39 1.445 1_554 A C331 C332 1.414 . A C331 H336 1.080 . S C332 X333 1.406 . A C332 H337 1.083 . S X333 C334 1.405 . A C334 H338 1.083 . S C339 X340 1.408 . A C339 C344 1.407 . A C339 H345 1.083 . S X340 C341 1.407 . A C341 C342 1.404 . A C341 H346 1.083 . S C342 X343 1.408 . A C342 H347 1.083 . S X343 C344 1.409 . A C344 H348 1.083 . S C349 X350 1.423 . A C349 C354 1.413 . A C349 H355 1.080 . S X350 C351 1.416 . A X350 X57 1.444 1_554 A C351 C352 1.399 . A C351 H356 1.079 . S C352 X353 1.406 . A C352 H357 1.083 . S X353 C354 1.405 . A C354 H358 1.083 . S C359 X360 1.408 . A C359 C364 1.399 . A C359 H365 1.082 . S X360 C361 1.415 . A C361 C362 1.413 . A C361 H366 1.082 . S C362 X363 1.408 . A C362 H367 1.083 . S X363 C364 1.408 . A C364 H368 1.083 . S C369 X370 1.408 . A C369 C374 1.404 . A C369 H375 1.083 . S X370 C371 1.408 . A C371 C372 1.407 . A C371 H376 1.083 . S C372 X373 1.409 . A C372 H377 1.083 . S X373 C374 1.408 . A C374 H378 1.083 . S C379 X380 1.408 . A C379 C384 1.407 . A C379 H385 1.083 . S X380 C381 1.407 . A C381 C382 1.404 . A C381 H386 1.083 . S C382 X383 1.408 . A C382 H387 1.083 . S X383 C384 1.408 . A C384 H388 1.083 . S C389 X390 1.416 . A C389 C394 1.398 . A C389 H395 1.079 . S X390 C391 1.422 . A X390 X111 1.443 1_554 A C391 C392 1.414 . A C391 H396 1.080 . S C392 X393 1.406 . A C392 H397 1.083 . S X393 C394 1.406 . A C394 H398 1.083 . S C399 X400 1.415 . A C399 C404 1.414 . A C399 H405 1.082 . S X400 C401 1.409 . A C401 C402 1.401 . A C401 H406 1.082 . S C402 X403 1.408 . A C402 H407 1.083 . S X403 C404 1.408 . A C404 H408 1.083 . S C409 X410 1.407 . A C409 C414 1.405 . A C409 H415 1.083 . S X410 C411 1.408 . A X410 X84 1.500 1_556 S C411 C412 1.407 . A C411 H416 1.083 . S C412 X413 1.408 . A C412 H417 1.083 . S X413 C414 1.409 . A C414 H418 1.083 . S C419 X420 1.408 . A C419 C424 1.399 . A C419 H425 1.082 . S X420 C421 1.415 . A C421 C422 1.413 . A C421 H426 1.082 . S C422 X423 1.408 . A C422 H427 1.083 . S X423 C424 1.408 . A C424 H428 1.083 . S C429 X430 1.408 . A C429 C434 1.408 . A C429 H435 1.083 . S X430 C431 1.408 . A X430 X131 1.502 1_556 S C431 C432 1.405 . A C431 H436 1.083 . S C432 X433 1.408 . A C432 H437 1.083 . S X433 C434 1.409 . A C434 H438 1.083 . S C439 X440 1.416 . A C439 C444 1.407 . A C439 H445 1.082 . S X440 C441 1.417 . A X440 X138 1.436 1_556 A C441 C442 1.405 . A C441 H446 1.082 . S C442 X443 1.404 . A C442 H447 1.083 . S X443 C444 1.405 . A C444 H448 1.083 . S C449 X450 1.407 . A C449 C454 1.406 . A C449 H455 1.083 . S X450 C451 1.407 . A X450 X1 1.496 1_455 S C451 C452 1.406 . A C451 H456 1.083 . S C452 X453 1.408 . A C452 H457 1.083 . S X453 C454 1.408 . A C454 H458 1.083 . S C459 X460 1.416 . A C459 C464 1.406 . A C459 H465 1.082 . S X460 C461 1.416 . A X460 X5 1.433 1_445 A C461 C462 1.406 . A C461 H466 1.082 . S C462 X463 1.403 . A C462 H467 1.083 . S X463 C464 1.404 . A C464 H468 1.083 . S C469 X470 1.407 . A C469 C474 1.406 . A C469 H475 1.083 . S X470 C471 1.406 . A C471 C472 1.406 . A C471 H476 1.083 . S C472 X473 1.408 . A C472 H477 1.083 . S X473 C474 1.408 . A C474 H478 1.083 . S C479 X480 1.416 . A C479 C484 1.407 . A C479 H485 1.082 . S X480 C481 1.417 . A X480 X10 1.435 1_445 A C481 C482 1.406 . A C481 H486 1.082 . S C482 X483 1.403 . A C482 H487 1.083 . S X483 C484 1.405 . A C484 H488 1.083 . S C489 X490 1.418 . A C489 C494 1.407 . A C489 H495 1.081 . S X490 C491 1.418 . A X490 X12 1.442 1_545 A C491 C492 1.407 . A C491 H496 1.081 . S C492 X493 1.407 . A C492 H497 1.083 . S X493 C494 1.406 . A C494 H498 1.083 . S C499 X500 1.407 . A C499 C504 1.406 . A C499 H505 1.083 . S X500 C501 1.407 . A C501 C502 1.407 . A C501 H506 1.083 . S C502 X503 1.409 . A C502 H507 1.083 . S X503 C504 1.408 . A C504 H508 1.083 . S C509 X510 1.420 . A C509 C514 1.409 . A C509 H515 1.080 . S X510 C511 1.415 . A X510 X37 1.438 1_554 A C511 C512 1.398 . A C511 H516 1.081 . S C512 X513 1.405 . A C512 H517 1.083 . S X513 C514 1.405 . A C514 H518 1.083 . S C519 X520 1.419 . A C519 C524 1.411 . A C519 H525 1.081 . S X520 C521 1.415 . A X520 X93 1.437 1_455 A C521 C522 1.397 . A C521 H526 1.080 . S C522 X523 1.405 . A C522 H527 1.083 . S X523 C524 1.406 . A C524 H528 1.083 . S C529 X530 1.407 . A C529 C534 1.398 . A C529 H535 1.083 . S X530 C531 1.411 . A X530 X50 1.502 1_565 S C531 C532 1.409 . A C531 H536 1.082 . S C532 X533 1.408 . A C532 H537 1.083 . S X533 C534 1.407 . A C534 H538 1.083 . S C539 X540 1.407 . A C539 C544 1.399 . A C539 H545 1.083 . S X540 C541 1.412 . A X540 X59 1.504 1_564 S C541 C542 1.409 . A C541 H546 1.082 . S C542 X543 1.407 . A C542 H547 1.083 . S X543 C544 1.408 . A C544 H548 1.083 . S C549 X550 1.412 . A C549 C554 1.409 . A C549 H555 1.082 . S X550 C551 1.407 . A C551 C552 1.399 . A C551 H556 1.083 . S C552 X553 1.408 . A C552 H557 1.083 . S X553 C554 1.408 . A C554 H558 1.083 . S C559 X560 1.415 . A C559 C564 1.397 . A C559 H565 1.081 . S X560 C561 1.419 . A X560 X129 1.437 1_546 A C561 C562 1.411 . A C561 H566 1.081 . S C562 X563 1.407 . A C562 H567 1.083 . S X563 C564 1.405 . A C564 H568 1.083 . S C569 X570 1.412 . A C569 C574 1.409 . A C569 H575 1.082 . S X570 C571 1.407 . A X570 X113 1.504 1_454 S C571 C572 1.399 . A C571 H576 1.083 . S C572 X573 1.408 . A C572 H577 1.083 . S X573 C574 1.407 . A C574 H578 1.083 . S C579 X580 1.420 . A C579 C584 1.411 . A C579 H585 1.081 . S X580 C581 1.416 . A X580 X75 1.439 1_655 A C581 C582 1.399 . A C581 H586 1.081 . S C582 X583 1.405 . A C582 H587 1.083 . S X583 C584 1.406 . A C584 H588 1.083 . S C589 X590 1.414 . A C589 C594 1.400 . A C589 H595 1.082 . S X590 C591 1.417 . A X590 X86 1.432 1_656 A C591 C592 1.409 . A C591 H596 1.082 . S C592 X593 1.405 . A C592 H597 1.083 . S X593 C594 1.404 . A C594 H598 1.083 . S C599 X600 1.411 . A C599 C604 1.409 . A C599 H605 1.082 . S X600 C601 1.407 . A C601 C602 1.398 . A C601 H606 1.083 . S C602 X603 1.408 . A C602 H607 1.083 . S X603 C604 1.408 . A C604 H608 1.083 . S C609 X610 1.418 . A C609 C614 1.408 . A C609 H615 1.082 . S X610 C611 1.414 . A X610 X122 1.433 1_545 A C611 C612 1.401 . A C611 H616 1.082 . S C612 X613 1.405 . A C612 H617 1.083 . S X613 C614 1.404 . A C614 H618 1.083 . S C619 X620 1.415 . A C619 C624 1.398 . A C619 H625 1.081 . S X620 C621 1.419 . A X620 X136 1.438 1_556 A C621 C622 1.411 . A C621 H626 1.081 . S C622 X623 1.406 . A C622 H627 1.083 . S X623 C624 1.405 . A C624 H628 1.083 . S C629 X630 1.409 . A C629 C634 1.407 . A C629 H635 1.083 . S X630 C631 1.405 . A C631 C632 1.404 . A C631 H636 1.083 . S C632 X633 1.410 . A C632 H637 1.083 . S X633 C634 1.408 . A C634 H638 1.083 . S C639 X640 1.405 . A C639 C644 1.405 . A C639 H645 1.083 . S X640 C641 1.409 . A C641 C642 1.406 . A C641 H646 1.083 . S C642 X643 1.407 . A C642 H647 1.083 . S X643 C644 1.410 . A C644 H648 1.083 . S C649 X650 1.405 . A C649 C654 1.405 . A C649 H655 1.083 . S X650 C651 1.410 . A C651 C652 1.406 . A C651 H656 1.083 . S C652 X653 1.407 . A C652 H657 1.083 . S X653 C654 1.411 . A C654 H658 1.083 . S C659 X660 1.405 . A C659 C664 1.403 . A C659 H665 1.083 . S X660 C661 1.409 . A C661 C662 1.406 . A C661 H666 1.083 . S C662 X663 1.407 . A C662 H667 1.083 . S X663 C664 1.410 . A C664 H668 1.083 . S C669 X670 1.406 . A C669 C674 1.400 . A C669 H675 1.082 . S X670 C671 1.414 . A C671 C672 1.410 . A C671 H676 1.082 . S C672 X673 1.406 . A C672 H677 1.083 . S X673 C674 1.410 . A C674 H678 1.083 . S C679 X680 1.405 . A C679 C684 1.404 . A C679 H685 1.083 . S X680 C681 1.409 . A C681 C682 1.406 . A C681 H686 1.083 . S C682 X683 1.407 . A C682 H687 1.083 . S X683 C684 1.410 . A C684 H688 1.083 . S C689 X690 1.405 . A C689 C694 1.406 . A C689 H695 1.083 . S X690 C691 1.409 . A C691 C692 1.406 . A C691 H696 1.083 . S C692 X693 1.407 . A C692 H697 1.083 . S X693 C694 1.411 . A C694 H698 1.083 . S C699 X700 1.406 . A C699 C704 1.399 . A C699 H705 1.082 . S X700 C701 1.414 . A C701 C702 1.409 . A C701 H706 1.082 . S C702 X703 1.406 . A C702 H707 1.083 . S X703 C704 1.409 . A C704 H708 1.083 . S C709 X710 1.405 . A C709 C714 1.403 . A C709 H715 1.083 . S X710 C711 1.409 . A C711 C712 1.406 . A C711 H716 1.083 . S C712 X713 1.407 . A C712 H717 1.083 . S X713 C714 1.410 . A C714 H718 1.083 . S C719 X720 1.409 . A C719 C724 1.405 . A C719 H725 1.083 . S X720 C721 1.405 . A C721 C722 1.405 . A C721 H726 1.083 . S C722 X723 1.410 . A C722 H727 1.083 . S X723 C724 1.407 . A C724 H728 1.083 . S C729 X730 1.409 . A C729 C734 1.406 . A C729 H735 1.083 . S X730 C731 1.405 . A C731 C732 1.404 . A C731 H736 1.083 . S C732 X733 1.410 . A C732 H737 1.083 . S X733 C734 1.407 . A C734 H738 1.083 . S C739 X740 1.409 . A C739 C744 1.406 . A C739 H745 1.083 . S X740 C741 1.405 . A C741 C742 1.405 . A C741 H746 1.083 . S C742 X743 1.410 . A C742 H747 1.083 . S X743 C744 1.407 . A C744 H748 1.083 . S C749 X750 1.410 . A C749 C754 1.402 . A C749 H755 1.082 . S X750 C751 1.410 . A C751 C752 1.402 . A C751 H756 1.082 . S C752 X753 1.405 . A C752 H757 1.083 . S X753 C754 1.405 . A C754 H758 1.083 . S C759 X760 1.410 . A C759 C764 1.402 . A C759 H765 1.082 . S X760 C761 1.410 . A C761 C762 1.402 . A C761 H766 1.082 . S C762 X763 1.405 . A C762 H767 1.083 . S X763 C764 1.405 . A C764 H768 1.083 . S C769 X770 1.410 . A C769 C774 1.402 . A C769 H775 1.082 . S X770 C771 1.410 . A C771 C772 1.402 . A C771 H776 1.082 . S C772 X773 1.405 . A C772 H777 1.083 . S X773 C774 1.405 . A C774 H778 1.083 . S C779 X780 1.411 . A C779 C784 1.402 . A C779 H785 1.082 . S X780 C781 1.410 . A C781 C782 1.402 . A C781 H786 1.082 . S C782 X783 1.406 . A C782 H787 1.083 . S X783 C784 1.405 . A C784 H788 1.083 . S C789 X790 1.407 . A C789 C794 1.402 . A C789 H795 1.083 . S X790 C791 1.407 . A C791 C792 1.402 . A C791 H796 1.083 . S C792 X793 1.407 . A C792 H797 1.083 . S X793 C794 1.407 . A C794 H798 1.083 . S C799 X800 1.411 . A C799 C804 1.402 . A C799 H805 1.082 . S X800 C801 1.410 . A C801 C802 1.403 . A C801 H806 1.082 . S C802 X803 1.406 . A C802 H807 1.083 . S X803 C804 1.405 . A C804 H808 1.083 . S