Spaces:
Running
Running
| data_ERIRIG_tobacco | |
| _audit_creation_date 2015-12-08 | |
| _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 37.0720 | |
| _cell_length_b 37.0720 | |
| _cell_length_c 30.0333 | |
| _cell_angle_alpha 90.0000 | |
| _cell_angle_beta 90.0000 | |
| _cell_angle_gamma 120.0000 | |
| 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 | |
| X1 C 1.02226 0.97844 0.24989 0.00000 Uiso 1.00 | |
| C2 C 0.97843 0.95713 0.25052 0.00000 Uiso 1.00 | |
| X3 C 0.95647 0.97901 0.25116 0.00000 Uiso 1.00 | |
| C4 C 0.97900 1.02292 0.25149 0.00000 Uiso 1.00 | |
| X5 C 1.02318 1.04551 0.25053 0.00000 Uiso 1.00 | |
| C6 C 1.04422 1.02237 0.24957 0.00000 Uiso 1.00 | |
| H7 H 0.96134 0.92337 0.25052 0.00000 Uiso 1.00 | |
| H8 H 0.96160 1.03923 0.25105 0.00000 Uiso 1.00 | |
| H9 H 1.07791 1.03826 0.25000 0.00000 Uiso 1.00 | |
| X10 C 1.04399 1.02356 0.75063 0.00000 Uiso 1.00 | |
| C11 C 1.02095 1.04470 0.74880 0.00000 Uiso 1.00 | |
| X12 C 0.97667 1.02330 0.75111 0.00000 Uiso 1.00 | |
| C13 C 0.95575 0.97916 0.75394 0.00000 Uiso 1.00 | |
| X14 C 0.97763 0.95717 0.75395 0.00000 Uiso 1.00 | |
| C15 C 1.02141 0.97955 0.75295 0.00000 Uiso 1.00 | |
| H16 H 1.03796 1.07833 0.74961 0.00000 Uiso 1.00 | |
| H17 H 0.92211 0.96109 0.75346 0.00000 Uiso 1.00 | |
| H18 H 1.03767 0.96210 0.75250 0.00000 Uiso 1.00 | |
| X19 C 0.31136 0.62241 0.24792 0.00000 Uiso 1.00 | |
| C20 C 0.28984 0.64481 0.24803 0.00000 Uiso 1.00 | |
| X21 C 0.31125 0.68872 0.24860 0.00000 Uiso 1.00 | |
| C22 C 0.35516 0.71024 0.24902 0.00000 Uiso 1.00 | |
| X23 C 0.37768 0.68884 0.24890 0.00000 Uiso 1.00 | |
| C24 C 0.35528 0.64493 0.24833 0.00000 Uiso 1.00 | |
| H25 H 0.25618 0.62793 0.24772 0.00000 Uiso 1.00 | |
| H26 H 0.37195 0.74391 0.24945 0.00000 Uiso 1.00 | |
| H27 H 0.37216 0.62814 0.24825 0.00000 Uiso 1.00 | |
| X28 C 0.62149 0.31152 0.74884 0.00000 Uiso 1.00 | |
| C29 C 0.64398 0.35551 0.74831 0.00000 Uiso 1.00 | |
| X30 C 0.68796 0.37800 0.74770 0.00000 Uiso 1.00 | |
| C31 C 0.70936 0.35548 0.74712 0.00000 Uiso 1.00 | |
| X32 C 0.68781 0.31167 0.74809 0.00000 Uiso 1.00 | |
| C33 C 0.64400 0.29011 0.74915 0.00000 Uiso 1.00 | |
| H34 H 0.62715 0.37234 0.74842 0.00000 Uiso 1.00 | |
| H35 H 0.74299 0.37198 0.74483 0.00000 Uiso 1.00 | |
| H36 H 0.62749 0.25647 0.75140 0.00000 Uiso 1.00 | |
| X37 C 0.36988 0.30344 1.10053 0.00000 Uiso 1.00 | |
| C38 C 0.40891 0.31325 1.11908 0.00000 Uiso 1.00 | |
| X39 C 0.43797 0.30523 1.09640 0.00000 Uiso 1.00 | |
| C40 C 0.42747 0.28902 1.05245 0.00000 Uiso 1.00 | |
| X41 C 0.38908 0.27938 1.03287 0.00000 Uiso 1.00 | |
| C42 C 0.36091 0.28650 1.05710 0.00000 Uiso 1.00 | |
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| H45 H 0.33266 0.28066 1.04037 0.00000 Uiso 1.00 | |
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| X48 C 0.43450 0.13285 0.40424 0.00000 Uiso 1.00 | |
| C49 C 0.40666 0.09724 0.37954 0.00000 Uiso 1.00 | |
| X50 C 0.36783 0.06728 0.39740 0.00000 Uiso 1.00 | |
| C51 C 0.35761 0.07313 0.44106 0.00000 Uiso 1.00 | |
| H52 H 0.44443 0.16484 0.46717 0.00000 Uiso 1.00 | |
| H53 H 0.41457 0.09378 0.34570 0.00000 Uiso 1.00 | |
| H54 H 0.32852 0.04992 0.45586 0.00000 Uiso 1.00 | |
| X55 C 0.71573 0.10770 1.03219 0.00000 Uiso 1.00 | |
| C56 C 0.70690 0.13695 1.05243 0.00000 Uiso 1.00 | |
| X57 C 0.69146 0.13179 1.09670 0.00000 Uiso 1.00 | |
| C58 C 0.68388 0.09502 1.11959 0.00000 Uiso 1.00 | |
| X59 C 0.69258 0.06554 1.10033 0.00000 Uiso 1.00 | |
| C60 C 0.70825 0.07225 1.05660 0.00000 Uiso 1.00 | |
| H61 H 0.71366 0.16446 1.03370 0.00000 Uiso 1.00 | |
| H62 H 0.67077 0.08851 1.15265 0.00000 Uiso 1.00 | |
| H63 H 0.71530 0.04993 1.04168 0.00000 Uiso 1.00 | |
| X64 C 0.30349 0.37019 0.59969 0.00000 Uiso 1.00 | |
| C65 C 0.31229 0.40864 0.61837 0.00000 Uiso 1.00 | |
| X66 C 0.30445 0.43714 0.59479 0.00000 Uiso 1.00 | |
| C67 C 0.28890 0.42683 0.55080 0.00000 Uiso 1.00 | |
| X68 C 0.28020 0.38865 0.53123 0.00000 Uiso 1.00 | |
| C69 C 0.28759 0.36081 0.55600 0.00000 Uiso 1.00 | |
| H70 H 0.32467 0.41601 0.65182 0.00000 Uiso 1.00 | |
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| X73 C 0.11005 0.72143 0.53408 0.00000 Uiso 1.00 | |
| C74 C 0.07469 0.71415 0.55850 0.00000 Uiso 1.00 | |
| X75 C 0.06701 0.69753 0.60220 0.00000 Uiso 1.00 | |
| C76 C 0.09645 0.68785 0.62059 0.00000 Uiso 1.00 | |
| X77 C 0.13311 0.69593 0.59739 0.00000 Uiso 1.00 | |
| C78 C 0.13905 0.71223 0.55374 0.00000 Uiso 1.00 | |
| H79 H 0.05211 0.71971 0.54174 0.00000 Uiso 1.00 | |
| H80 H 0.09184 0.67535 0.65387 0.00000 Uiso 1.00 | |
| H81 H 0.16695 0.71923 0.53542 0.00000 Uiso 1.00 | |
| X82 C 0.10776 0.38186 -0.03687 0.00000 Uiso 1.00 | |
| C83 C 0.13806 0.41981 -0.05574 0.00000 Uiso 1.00 | |
| X84 C 0.13421 0.43047 -0.09982 0.00000 Uiso 1.00 | |
| C85 C 0.09926 0.40234 -0.12518 0.00000 Uiso 1.00 | |
| X86 C 0.06778 0.36416 -0.10700 0.00000 Uiso 1.00 | |
| C87 C 0.07294 0.35458 -0.06257 0.00000 Uiso 1.00 | |
| H88 H 0.16480 0.44110 -0.03603 0.00000 Uiso 1.00 | |
| H89 H 0.09626 0.41115 -0.15873 0.00000 Uiso 1.00 | |
| H90 H 0.05043 0.32518 -0.04780 0.00000 Uiso 1.00 | |
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| C92 C 0.92896 0.28824 0.44118 0.00000 Uiso 1.00 | |
| X93 C 0.93612 0.30461 0.39724 0.00000 Uiso 1.00 | |
| C94 C 0.90620 0.31359 0.37879 0.00000 Uiso 1.00 | |
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| H108 H 0.72137 0.67172 0.45652 0.00000 Uiso 1.00 | |
| X109 C 0.89129 0.61035 1.03285 0.00000 Uiso 1.00 | |
| C110 C 0.86196 0.57203 1.05233 0.00000 Uiso 1.00 | |
| X111 C 0.86669 0.56159 1.09671 0.00000 Uiso 1.00 | |
| C112 C 0.90328 0.59070 1.12003 0.00000 Uiso 1.00 | |
| X113 C 0.93285 0.62910 1.10123 0.00000 Uiso 1.00 | |
| C114 C 0.92632 0.63837 1.05762 0.00000 Uiso 1.00 | |
| H115 H 0.83440 0.55189 1.03323 0.00000 Uiso 1.00 | |
| H116 H 0.90964 0.58383 1.15304 0.00000 Uiso 1.00 | |
| H117 H 0.94915 0.66734 1.04228 0.00000 Uiso 1.00 | |
| X118 C 0.61468 0.89063 0.53573 0.00000 Uiso 1.00 | |
| C119 C 0.57690 0.86042 0.55525 0.00000 Uiso 1.00 | |
| X120 C 0.56702 0.86435 0.59978 0.00000 Uiso 1.00 | |
| C121 C 0.59578 0.89984 0.62428 0.00000 Uiso 1.00 | |
| X122 C 0.63371 0.93103 0.60555 0.00000 Uiso 1.00 | |
| C123 C 0.64246 0.92560 0.56098 0.00000 Uiso 1.00 | |
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| H134 H 0.32110 0.90637 -0.15457 0.00000 Uiso 1.00 | |
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| H143 H 0.55596 0.72091 -0.03313 0.00000 Uiso 1.00 | |
| H144 H 0.67091 0.72171 -0.04180 0.00000 Uiso 1.00 | |
| Zn145 Zn 0.62252 0.33842 0.27310 0.00000 Uiso 1.00 | |
| Zn146 Zn 0.66613 0.33349 0.18965 0.00000 Uiso 1.00 | |
| Zn147 Zn 0.71485 0.37760 0.27282 0.00000 Uiso 1.00 | |
| Zn148 Zn 0.66189 0.28533 0.27325 0.00000 Uiso 1.00 | |
| O149 O 0.66632 0.33368 0.25184 0.00000 Uiso 1.00 | |
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| X166 C 0.66817 0.25772 0.18711 0.00000 Uiso 1.00 | |
| X167 C 0.58579 0.26085 0.31757 0.00000 Uiso 1.00 | |
| Zn168 Zn 0.28557 0.66125 0.77405 0.00000 Uiso 1.00 | |
| Zn169 Zn 0.33900 0.62219 0.77301 0.00000 Uiso 1.00 | |
| Zn170 Zn 0.33412 0.66664 0.69055 0.00000 Uiso 1.00 | |
| Zn171 Zn 0.37793 0.71430 0.77450 0.00000 Uiso 1.00 | |
| O172 O 0.33411 0.66611 0.75266 0.00000 Uiso 1.00 | |
| O173 O 0.25351 0.61269 0.80417 0.00000 Uiso 1.00 | |
| O174 O 0.33583 0.58869 0.72847 0.00000 Uiso 1.00 | |
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| X189 C 0.41486 0.67326 0.81779 0.00000 Uiso 1.00 | |
| X190 C 0.32622 0.73927 0.81772 0.00000 Uiso 1.00 | |
| Zn191 Zn 0.16075 0.29989 0.20029 0.00000 Uiso 1.00 | |
| Zn192 Zn 0.22324 0.36678 0.26029 0.00000 Uiso 1.00 | |
| Zn193 Zn 0.14427 0.36627 0.23486 0.00000 Uiso 1.00 | |
| Zn194 Zn 0.14108 0.30098 0.29662 0.00000 Uiso 1.00 | |
| O195 O 0.16735 0.33353 0.24801 0.00000 Uiso 1.00 | |
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| X212 C 0.21251 0.34370 0.35118 0.00000 Uiso 1.00 | |
| X213 C 0.11376 0.22569 0.24947 0.00000 Uiso 1.00 | |
| Zn214 Zn 0.29948 0.14021 0.79816 0.00000 Uiso 1.00 | |
| Zn215 Zn 0.36569 0.22243 0.76200 0.00000 Uiso 1.00 | |
| Zn216 Zn 0.36525 0.14354 0.73727 0.00000 Uiso 1.00 | |
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| X256 C 0.13200 0.78805 0.35343 0.00000 Uiso 1.00 | |
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| X258 C 0.21033 0.86781 0.14659 0.00000 Uiso 1.00 | |
| X259 C 0.11192 0.88619 0.25027 0.00000 Uiso 1.00 | |
| Zn260 Zn 0.69978 0.84097 0.29848 0.00000 Uiso 1.00 | |
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| H565 H 0.25846 -0.02407 0.90645 0.00000 Uiso 1.00 | |
| H566 H 0.35534 -0.02674 0.82800 0.00000 Uiso 1.00 | |
| H567 H 0.36543 0.03470 0.78785 0.00000 Uiso 1.00 | |
| H568 H 0.27054 0.03756 0.86818 0.00000 Uiso 1.00 | |
| C569 C -0.00800 0.64789 0.15631 0.00000 Uiso 1.00 | |
| X570 C -0.02985 0.66023 0.12732 0.00000 Uiso 1.00 | |
| C571 C -0.01565 0.70307 0.12320 0.00000 Uiso 1.00 | |
| C572 C 0.01957 0.73262 0.14636 0.00000 Uiso 1.00 | |
| X573 C 0.04175 0.72047 0.17487 0.00000 Uiso 1.00 | |
| C574 C 0.02726 0.67763 0.17989 0.00000 Uiso 1.00 | |
| H575 H -0.01761 0.61527 0.16012 0.00000 Uiso 1.00 | |
| H576 H -0.03200 0.71394 0.10220 0.00000 Uiso 1.00 | |
| H577 H 0.02938 0.76524 0.14189 0.00000 Uiso 1.00 | |
| H578 H 0.04360 0.66712 0.20141 0.00000 Uiso 1.00 | |
| C579 C 1.01334 0.66210 0.66189 0.00000 Uiso 1.00 | |
| X580 C 1.03100 0.69141 0.62669 0.00000 Uiso 1.00 | |
| C581 C 1.01150 0.71493 0.61664 0.00000 Uiso 1.00 | |
| C582 C 0.97615 0.70905 0.63967 0.00000 Uiso 1.00 | |
| X583 C 0.95841 0.67949 0.67399 0.00000 Uiso 1.00 | |
| C584 C 0.97761 0.65617 0.68493 0.00000 Uiso 1.00 | |
| H585 H 1.02572 0.64217 0.67086 0.00000 Uiso 1.00 | |
| H586 H 1.02417 0.73947 0.59202 0.00000 Uiso 1.00 | |
| H587 H 0.96281 0.72816 0.63051 0.00000 Uiso 1.00 | |
| H588 H 0.96482 0.63300 0.71109 0.00000 Uiso 1.00 | |
| C589 C 0.99323 0.31024 0.88902 0.00000 Uiso 1.00 | |
| X590 C 1.03175 0.33617 0.86775 0.00000 Uiso 1.00 | |
| C591 C 1.03299 0.33302 0.82081 0.00000 Uiso 1.00 | |
| C592 C 0.99762 0.30426 0.79665 0.00000 Uiso 1.00 | |
| X593 C 0.95953 0.27897 0.81834 0.00000 Uiso 1.00 | |
| C594 C 0.95779 0.28270 0.86470 0.00000 Uiso 1.00 | |
| H595 H 0.98958 0.31216 0.92453 0.00000 Uiso 1.00 | |
| H596 H 1.06172 0.35126 0.80261 0.00000 Uiso 1.00 | |
| H597 H 0.99998 0.30203 0.76093 0.00000 Uiso 1.00 | |
| H598 H 0.92890 0.26372 0.88248 0.00000 Uiso 1.00 | |
| C599 C 0.65874 0.65037 0.34236 0.00000 Uiso 1.00 | |
| X600 C 0.69298 0.66316 0.37133 0.00000 Uiso 1.00 | |
| C601 C 0.72125 0.70610 0.37541 0.00000 Uiso 1.00 | |
| C602 C 0.71494 0.73534 0.35256 0.00000 Uiso 1.00 | |
| X603 C 0.68035 0.72279 0.32437 0.00000 Uiso 1.00 | |
| C604 C 0.65254 0.67984 0.31908 0.00000 Uiso 1.00 | |
| H605 H 0.63616 0.61763 0.33848 0.00000 Uiso 1.00 | |
| H606 H 0.74859 0.71731 0.39629 0.00000 Uiso 1.00 | |
| H607 H 0.73742 0.76805 0.35709 0.00000 Uiso 1.00 | |
| H608 H 0.62559 0.66904 0.29766 0.00000 Uiso 1.00 | |
| C609 C 0.66562 -0.03432 0.67757 0.00000 Uiso 1.00 | |
| X610 C 0.66219 -0.03301 0.63065 0.00000 Uiso 1.00 | |
| C611 C 0.68826 0.00548 0.60939 0.00000 Uiso 1.00 | |
| C612 C 0.71600 0.04084 0.63374 0.00000 Uiso 1.00 | |
| X613 C 0.71981 0.03905 0.68011 0.00000 Uiso 1.00 | |
| C614 C 0.69452 0.00095 0.70174 0.00000 Uiso 1.00 | |
| H615 H 0.64740 -0.06306 0.69577 0.00000 Uiso 1.00 | |
| H616 H 0.68628 0.00917 0.57390 0.00000 Uiso 1.00 | |
| H617 H 0.73502 0.06973 0.61598 0.00000 Uiso 1.00 | |
| H618 H 0.69682 -0.00150 0.73744 0.00000 Uiso 1.00 | |
| C619 C 0.70565 0.71638 0.88299 0.00000 Uiso 1.00 | |
| X620 C 0.66254 0.69279 0.87349 0.00000 Uiso 1.00 | |
| C621 C 0.65041 0.66303 0.83871 0.00000 Uiso 1.00 | |
| C622 C 0.67990 0.65662 0.81567 0.00000 Uiso 1.00 | |
| X623 C 0.72251 0.67988 0.82627 0.00000 Uiso 1.00 | |
| C624 C 0.73477 0.70998 0.86005 0.00000 Uiso 1.00 | |
| H625 H 0.71785 0.74133 0.90715 0.00000 Uiso 1.00 | |
| H626 H 0.61798 0.64317 0.83015 0.00000 Uiso 1.00 | |
| H627 H 0.66924 0.63311 0.78986 0.00000 Uiso 1.00 | |
| H628 H 0.76732 0.72915 0.86883 0.00000 Uiso 1.00 | |
| C629 C 0.10789 0.33142 0.01976 0.00000 Uiso 1.00 | |
| X630 C 0.11231 0.37056 0.00982 0.00000 Uiso 1.00 | |
| C631 C 0.12103 0.39886 0.04488 0.00000 Uiso 1.00 | |
| C632 C 0.12537 0.38840 0.08870 0.00000 Uiso 1.00 | |
| X633 C 0.12193 0.34964 0.09862 0.00000 Uiso 1.00 | |
| C634 C 0.11312 0.32127 0.06351 0.00000 Uiso 1.00 | |
| H635 H 0.10133 0.30901 -0.00657 0.00000 Uiso 1.00 | |
| H636 H 0.12430 0.42909 0.03839 0.00000 Uiso 1.00 | |
| H637 H 0.13256 0.41124 0.11472 0.00000 Uiso 1.00 | |
| H638 H 0.11050 0.29129 0.06982 0.00000 Uiso 1.00 | |
| C639 C 0.28125 0.40491 0.44942 0.00000 Uiso 1.00 | |
| X640 C 0.26279 0.37709 0.48509 0.00000 Uiso 1.00 | |
| C641 C 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 | |