data_HOMZEP_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 14.1954 _cell_length_b 14.1711 _cell_length_c 31.6715 _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 120.2518 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 O1 O 0.19507 0.18263 0.70719 0.00000 Uiso 1.00 O2 O 0.57652 0.95175 0.59463 0.00000 Uiso 1.00 O3 O 0.45281 0.07288 0.54149 0.00000 Uiso 1.00 C4 C 0.40929 0.03636 0.57689 0.00000 Uiso 1.00 O5 O 0.84598 0.02368 0.70767 0.00000 Uiso 1.00 O6 O 0.07548 0.63525 0.59517 0.00000 Uiso 1.00 O7 O 0.96262 0.39152 0.53919 0.00000 Uiso 1.00 C8 C 0.99537 0.38367 0.57535 0.00000 Uiso 1.00 C9 C 0.78057 0.07633 0.63437 0.00000 Uiso 1.00 H10 H 0.72353 -0.00192 0.64941 0.00000 Uiso 1.00 C11 C 0.92375 0.27636 0.59633 0.00000 Uiso 1.00 H12 H 0.62492 0.21674 0.49949 0.00000 Uiso 1.00 O13 O 1.00488 0.83316 0.70773 0.00000 Uiso 1.00 O14 O 0.39487 0.45538 0.59500 0.00000 Uiso 1.00 O15 O 0.63565 0.58075 0.54015 0.00000 Uiso 1.00 C16 C 0.64491 0.62316 0.57603 0.00000 Uiso 1.00 C17 C 0.94968 0.71144 0.63550 0.00000 Uiso 1.00 H18 H 0.02728 0.73185 0.65071 0.00000 Uiso 1.00 C19 C 0.75139 0.65691 0.59710 0.00000 Uiso 1.00 O20 O 0.83412 0.84475 0.20791 0.00000 Uiso 1.00 O21 O 0.45491 0.07670 0.09486 0.00000 Uiso 1.00 O22 O 0.57859 0.95857 0.04086 0.00000 Uiso 1.00 C23 C 0.62218 0.99296 0.07653 0.00000 Uiso 1.00 C24 C 0.71226 0.77742 0.13557 0.00000 Uiso 1.00 H25 H 0.73322 0.72058 0.15068 0.00000 Uiso 1.00 C26 C 0.65608 0.92044 0.09761 0.00000 Uiso 1.00 H27 H 0.41635 0.61813 0.99901 0.00000 Uiso 1.00 O28 O 0.18421 1.00577 0.20758 0.00000 Uiso 1.00 O29 O 0.95272 0.39066 0.09486 0.00000 Uiso 1.00 O30 O 0.06616 0.63819 0.03885 0.00000 Uiso 1.00 C31 C 0.03497 0.64493 0.07550 0.00000 Uiso 1.00 C32 C 0.25032 0.95176 0.13482 0.00000 Uiso 1.00 H33 H 0.30757 0.02963 0.15005 0.00000 Uiso 1.00 C34 C 0.10664 0.75217 0.09657 0.00000 Uiso 1.00 O35 O 0.02481 0.19580 0.20798 0.00000 Uiso 1.00 O36 O 0.63249 0.57318 0.09556 0.00000 Uiso 1.00 O37 O 0.39406 0.44966 0.04036 0.00000 Uiso 1.00 C38 C 0.38430 0.40583 0.07599 0.00000 Uiso 1.00 C39 C 0.08029 0.31809 0.13581 0.00000 Uiso 1.00 H40 H 0.00269 0.29765 0.15103 0.00000 Uiso 1.00 C41 C 0.27854 0.37279 0.09736 0.00000 Uiso 1.00 O42 O 0.18456 0.19577 0.29256 0.00000 Uiso 1.00 O43 O 0.95225 0.57661 0.40627 0.00000 Uiso 1.00 O44 O 0.07103 0.45146 0.45955 0.00000 Uiso 1.00 C45 C 0.03751 0.40929 0.42362 0.00000 Uiso 1.00 C46 C 0.25135 0.31682 0.36501 0.00000 Uiso 1.00 H47 H 0.30780 0.29524 0.35002 0.00000 Uiso 1.00 C48 C 0.10949 0.37462 0.40271 0.00000 Uiso 1.00 O49 O 0.02406 0.84545 0.29295 0.00000 Uiso 1.00 O50 O 0.63600 0.07549 0.40523 0.00000 Uiso 1.00 O51 O 0.39190 0.96268 0.46128 0.00000 Uiso 1.00 C52 C 0.38454 0.99525 0.42497 0.00000 Uiso 1.00 C53 C 0.07705 0.78052 0.36623 0.00000 Uiso 1.00 H54 H -0.00131 0.72356 0.35130 0.00000 Uiso 1.00 C55 C 0.27733 0.92365 0.40399 0.00000 Uiso 1.00 O56 O 0.83413 1.00516 0.29260 0.00000 Uiso 1.00 O57 O 0.45339 0.39241 0.40530 0.00000 Uiso 1.00 O58 O 0.58279 0.63465 0.46083 0.00000 Uiso 1.00 C59 C 0.62343 0.64406 0.42462 0.00000 Uiso 1.00 C60 C 0.71230 0.94987 0.36509 0.00000 Uiso 1.00 H61 H 0.73294 0.02763 0.34980 0.00000 Uiso 1.00 C62 C 0.65726 0.75068 0.40337 0.00000 Uiso 1.00 H63 H 0.40609 0.81351 0.50083 0.00000 Uiso 1.00 O64 O 0.84561 0.83372 0.79252 0.00000 Uiso 1.00 O65 O 0.07698 0.45450 0.90502 0.00000 Uiso 1.00 O66 O 0.95757 0.57642 0.95967 0.00000 Uiso 1.00 C67 C 0.99202 0.62040 0.92404 0.00000 Uiso 1.00 C68 C 0.77812 0.71233 0.86498 0.00000 Uiso 1.00 H69 H 0.72180 0.73394 0.84990 0.00000 Uiso 1.00 C70 C 0.91995 0.65474 0.90296 0.00000 Uiso 1.00 H71 H 0.61075 0.40961 0.00037 0.00000 Uiso 1.00 O72 O 1.00664 0.18309 0.79276 0.00000 Uiso 1.00 O73 O 0.39592 0.95449 0.90497 0.00000 Uiso 1.00 O74 O 0.63807 0.06730 0.96107 0.00000 Uiso 1.00 C75 C 0.64628 0.03408 0.92504 0.00000 Uiso 1.00 C76 C 0.95255 0.24959 0.86554 0.00000 Uiso 1.00 H77 H 0.03042 0.30681 0.85036 0.00000 Uiso 1.00 C78 C 0.75327 0.10594 0.90387 0.00000 Uiso 1.00 H79 H 0.81372 0.40612 0.00048 0.00000 Uiso 1.00 O80 O 0.19600 0.02333 0.79223 0.00000 Uiso 1.00 O81 O 0.57570 0.63632 0.90512 0.00000 Uiso 1.00 O82 O 0.44679 0.39353 0.96004 0.00000 Uiso 1.00 C83 C 0.40617 0.38480 0.92385 0.00000 Uiso 1.00 C84 C 0.31857 0.07927 0.86465 0.00000 Uiso 1.00 H85 H 0.29827 0.00146 0.84954 0.00000 Uiso 1.00 C86 C 0.37314 0.27837 0.90274 0.00000 Uiso 1.00 O87 O 0.83415 0.84533 0.29266 0.00000 Uiso 1.00 O88 O 0.45485 0.07649 0.40551 0.00000 Uiso 1.00 O89 O 0.57658 0.95844 0.45995 0.00000 Uiso 1.00 C90 C 0.62080 0.99224 0.42436 0.00000 Uiso 1.00 C91 C 0.71346 0.77834 0.36521 0.00000 Uiso 1.00 H92 H 0.73490 0.72192 0.35001 0.00000 Uiso 1.00 C93 C 0.65591 0.92052 0.40323 0.00000 Uiso 1.00 H94 H 0.40897 0.60922 0.50125 0.00000 Uiso 1.00 O95 O 0.18447 1.00564 0.29279 0.00000 Uiso 1.00 O96 O 0.95513 0.39590 0.40449 0.00000 Uiso 1.00 O97 O 0.06757 0.63822 0.46154 0.00000 Uiso 1.00 C98 C 0.03432 0.64643 0.42547 0.00000 Uiso 1.00 C99 C 0.25021 0.95243 0.36581 0.00000 Uiso 1.00 H100 H 0.30762 0.03012 0.35052 0.00000 Uiso 1.00 C101 C 0.10613 0.75349 0.40436 0.00000 Uiso 1.00 O102 O 0.02502 0.19598 0.29247 0.00000 Uiso 1.00 O103 O 0.63638 0.57518 0.40502 0.00000 Uiso 1.00 O104 O 0.39359 0.44800 0.46043 0.00000 Uiso 1.00 C105 C 0.38483 0.40657 0.42434 0.00000 Uiso 1.00 C106 C 0.08024 0.31813 0.36463 0.00000 Uiso 1.00 H107 H 0.00262 0.29754 0.34940 0.00000 Uiso 1.00 C108 C 0.27874 0.37330 0.40311 0.00000 Uiso 1.00 H109 H 0.21459 0.63870 0.50168 0.00000 Uiso 1.00 O110 O 0.19653 0.18323 0.79205 0.00000 Uiso 1.00 O111 O 0.57645 0.95192 0.90581 0.00000 Uiso 1.00 O112 O 0.45316 0.07170 0.95967 0.00000 Uiso 1.00 C113 C 0.41006 0.03753 0.92392 0.00000 Uiso 1.00 C114 C 0.31680 0.25042 0.86465 0.00000 Uiso 1.00 H115 H 0.29516 0.30672 0.84951 0.00000 Uiso 1.00 C116 C 0.37505 0.10911 0.90275 0.00000 Uiso 1.00 O117 O 0.84609 0.02334 0.79273 0.00000 Uiso 1.00 O118 O 0.07554 0.63579 0.90523 0.00000 Uiso 1.00 O119 O 0.96404 0.39203 0.96095 0.00000 Uiso 1.00 C120 C 0.99583 0.38416 0.92462 0.00000 Uiso 1.00 C121 C 0.78037 0.07683 0.86575 0.00000 Uiso 1.00 H122 H 0.72323 -0.00146 0.85074 0.00000 Uiso 1.00 C123 C 0.92375 0.27688 0.90367 0.00000 Uiso 1.00 H124 H 0.62436 0.21645 0.00111 0.00000 Uiso 1.00 O125 O 1.00476 0.83290 0.79275 0.00000 Uiso 1.00 O126 O 0.39272 0.45368 0.90456 0.00000 Uiso 1.00 O127 O 0.63563 0.58127 0.96039 0.00000 Uiso 1.00 C128 C 0.64443 0.62264 0.92430 0.00000 Uiso 1.00 C129 C 0.94923 0.71093 0.86479 0.00000 Uiso 1.00 H130 H 0.02685 0.73137 0.84957 0.00000 Uiso 1.00 C131 C 0.75064 0.65606 0.90311 0.00000 Uiso 1.00 O132 O 0.84541 0.83340 0.70789 0.00000 Uiso 1.00 O133 O 0.07688 0.45388 0.59478 0.00000 Uiso 1.00 O134 O 0.95805 0.57697 0.54063 0.00000 Uiso 1.00 C135 C 0.99226 0.62048 0.57633 0.00000 Uiso 1.00 C136 C 0.77866 0.71298 0.63526 0.00000 Uiso 1.00 H137 H 0.72221 0.73450 0.65029 0.00000 Uiso 1.00 C138 C 0.92047 0.65530 0.59733 0.00000 Uiso 1.00 H139 H 0.60911 0.40698 0.49916 0.00000 Uiso 1.00 O140 O 1.00666 0.18349 0.70721 0.00000 Uiso 1.00 O141 O 0.39695 0.95354 0.59541 0.00000 Uiso 1.00 O142 O 0.63784 0.06669 0.53921 0.00000 Uiso 1.00 C143 C 0.64631 0.03342 0.57521 0.00000 Uiso 1.00 C144 C 0.95266 0.24934 0.63449 0.00000 Uiso 1.00 H145 H 0.03055 0.30676 0.64961 0.00000 Uiso 1.00 C146 C 0.75357 0.10527 0.59621 0.00000 Uiso 1.00 H147 H 0.81332 0.40814 0.49948 0.00000 Uiso 1.00 O148 O 0.19445 0.02214 0.70743 0.00000 Uiso 1.00 O149 O 0.57639 0.63709 0.59524 0.00000 Uiso 1.00 O150 O 0.44805 0.39153 0.54052 0.00000 Uiso 1.00 C151 C 0.40634 0.38470 0.57626 0.00000 Uiso 1.00 O152 O 0.18441 0.19571 0.20795 0.00000 Uiso 1.00 O153 O 0.95475 0.57349 0.09516 0.00000 Uiso 1.00 O154 O 0.07342 0.45484 0.04132 0.00000 Uiso 1.00 C155 C 0.03758 0.40846 0.07648 0.00000 Uiso 1.00 C156 C 0.25133 0.31672 0.13554 0.00000 Uiso 1.00 H157 H 0.30782 0.29528 0.15058 0.00000 Uiso 1.00 C158 C 0.10949 0.37419 0.09762 0.00000 Uiso 1.00 O159 O 0.02396 0.84553 0.20757 0.00000 Uiso 1.00 O160 O 0.63745 0.07661 0.09533 0.00000 Uiso 1.00 O161 O 0.39281 0.96169 0.03951 0.00000 Uiso 1.00 C162 C 0.38479 0.99477 0.07565 0.00000 Uiso 1.00 C163 C 0.07747 0.77953 0.13462 0.00000 Uiso 1.00 H164 H -0.00081 0.72259 0.14961 0.00000 Uiso 1.00 C165 C 0.27761 0.92289 0.09669 0.00000 Uiso 1.00 H166 H 0.21696 0.62227 0.99937 0.00000 Uiso 1.00 O167 O 0.83456 1.00487 0.20780 0.00000 Uiso 1.00 O168 O 0.45187 0.38932 0.09463 0.00000 Uiso 1.00 O169 O 0.58281 0.63616 0.03970 0.00000 Uiso 1.00 C170 C 0.62165 0.64359 0.07621 0.00000 Uiso 1.00 C171 C 0.71240 0.94953 0.13572 0.00000 Uiso 1.00 H172 H 0.73339 0.02743 0.15093 0.00000 Uiso 1.00 C173 C 0.65589 0.75008 0.09747 0.00000 Uiso 1.00 H174 H 0.39694 0.81400 0.99914 0.00000 Uiso 1.00 Ga175 Ga 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0.28795 0.15426 0.00000 Uiso 1.00 C236 C 0.11767 0.22155 0.30755 0.00000 Uiso 1.00 C237 C 0.15096 0.28786 0.34629 0.00000 Uiso 1.00 C238 C 0.11666 0.91319 0.30819 0.00000 Uiso 1.00 C239 C 0.14900 0.88105 0.34736 0.00000 Uiso 1.00 C240 C 0.80850 0.91233 0.30774 0.00000 Uiso 1.00 C241 C 0.74243 0.87909 0.34656 0.00000 Uiso 1.00 C242 C 0.91189 0.80741 0.80764 0.00000 Uiso 1.00 C243 C 0.87856 0.74111 0.84634 0.00000 Uiso 1.00 C244 C 0.91379 0.11599 0.80798 0.00000 Uiso 1.00 C245 C 0.88113 0.14846 0.84698 0.00000 Uiso 1.00 C246 C 0.22168 0.11614 0.80740 0.00000 Uiso 1.00 C247 C 0.28795 0.14961 0.84612 0.00000 Uiso 1.00 C248 C 0.82540 0.20407 0.57660 0.00000 Uiso 1.00 H249 H 0.80459 0.22488 0.54568 0.00000 Uiso 1.00 C250 C 0.82243 0.62939 0.57755 0.00000 Uiso 1.00 H251 H 0.80125 0.58764 0.54660 0.00000 Uiso 1.00 C252 C 0.62910 0.82181 0.07795 0.00000 Uiso 1.00 H253 H 0.58712 0.80086 0.04708 0.00000 Uiso 1.00 C254 C 0.20542 0.82424 0.07704 0.00000 Uiso 1.00 H255 H 0.22620 0.80341 0.04616 0.00000 Uiso 1.00 C256 C 0.20754 0.40038 0.07785 0.00000 Uiso 1.00 H257 H 0.22864 0.44231 0.04695 0.00000 Uiso 1.00 C258 C 0.20761 0.40092 0.42251 0.00000 Uiso 1.00 H259 H 0.22858 0.44300 0.45339 0.00000 Uiso 1.00 C260 C 0.20504 0.82535 0.42380 0.00000 Uiso 1.00 H261 H 0.22599 0.80470 0.45467 0.00000 Uiso 1.00 C262 C 0.62986 0.82204 0.42280 0.00000 Uiso 1.00 H263 H 0.58792 0.80080 0.45365 0.00000 Uiso 1.00 C264 C 0.82174 0.62856 0.92264 0.00000 Uiso 1.00 H265 H 0.80054 0.58666 0.95354 0.00000 Uiso 1.00 C266 C 0.82530 0.20484 0.92341 0.00000 Uiso 1.00 H267 H 0.80464 0.22587 0.95431 0.00000 Uiso 1.00 C268 C 0.40092 0.20749 0.92235 0.00000 Uiso 1.00 H269 H 0.44272 0.22887 0.95327 0.00000 Uiso 1.00 H270 H 0.78751 0.56014 0.38758 0.00000 Uiso 1.00 H271 H 0.78945 0.24022 0.38761 0.00000 Uiso 1.00 H272 H 0.46813 0.24047 0.38798 0.00000 Uiso 1.00 H273 H 0.79164 0.56829 0.10331 0.00000 Uiso 1.00 H274 H 0.78671 0.24340 0.11742 0.00000 Uiso 1.00 H275 H 0.47088 0.24199 0.11470 0.00000 Uiso 1.00 H276 H 0.24122 0.46761 0.61228 0.00000 Uiso 1.00 H277 H 0.56106 0.78766 0.61330 0.00000 Uiso 1.00 H278 H 0.24079 0.78881 0.61283 0.00000 Uiso 1.00 H279 H 0.56023 0.78734 0.88648 0.00000 Uiso 1.00 H280 H 0.24149 0.46912 0.88722 0.00000 Uiso 1.00 H281 H 0.24197 0.78942 0.88712 0.00000 Uiso 1.00 H282 H 0.37989 0.08528 0.59291 0.00000 Uiso 1.00 H283 H 0.37766 0.30636 0.59239 0.00000 Uiso 1.00 H284 H 0.27325 0.14162 0.66503 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 O1 Ga175 1.926 . S O1 C225 1.260 . D O2 C143 1.243 1_565 S O2 Ga181 2.049 . S O3 C4 1.259 . S O3 Ga205 1.948 . S C4 O141 1.243 1_545 D C4 H282 1.097 . S O5 Ga176 1.921 1_545 S O5 C226 1.269 . S O6 C135 1.244 1_455 S O6 Ga183 2.045 . S O7 C8 1.262 . D O7 Ga206 1.951 1_655 S C8 C11 1.493 . S C8 O133 1.244 1_655 S C9 H10 1.099 . S C9 C146 1.391 . D C9 C227 1.402 . S C11 C144 1.390 . S C11 C248 1.396 . D H12 O196 0.948 . S O13 Ga177 1.917 1_655 S O13 C228 1.269 . D O14 C151 1.244 . S O14 Ga185 2.024 . S O15 C16 1.261 . D O15 Ga207 1.950 . S C16 C19 1.494 . S C16 O149 1.244 . S C17 H18 1.099 1_655 S C17 C138 1.391 . S C17 C229 1.401 . D H18 C17 1.099 1_455 S C19 C136 1.390 . D C19 C250 1.396 . S O20 Ga178 1.923 . S O20 C230 1.268 . S O21 C162 1.243 1_545 S O21 Ga187 2.043 . S O22 C23 1.262 . D O22 Ga208 1.948 1_565 S C23 C26 1.494 . S C23 O160 1.244 1_565 S C24 H25 1.099 . S C24 C173 1.391 . S C24 C231 1.401 . D C26 C171 1.391 . D C26 C252 1.396 . S H27 O204 0.950 . S O28 Ga179 1.923 1_565 S O28 C232 1.269 . D O29 C155 1.244 1_655 S O29 Ga189 2.028 . S O30 C31 1.263 . D O30 Ga209 1.953 . S C31 C34 1.494 . S C31 O153 1.244 1_455 S C32 H33 1.099 1_565 S C32 C165 1.391 . D C32 C233 1.402 . S H33 C32 1.099 1_545 S C34 C163 1.391 . S C34 C254 1.396 . D O35 Ga180 1.921 1_455 S O35 C234 1.268 . D O36 C170 1.245 . S O36 Ga191 2.040 . S O37 C38 1.262 . D O37 Ga210 1.949 . S C38 C41 1.491 . S C38 O168 1.245 . S C39 H40 1.099 . S C39 C158 1.391 . D C39 C235 1.401 . S C41 C156 1.391 . S C41 C256 1.395 . D O42 Ga179 1.920 . S O42 C236 1.269 . D O43 C98 1.243 1_655 S O43 Ga193 2.040 . S O44 C45 1.262 . D O44 Ga206 1.946 . S C45 C48 1.493 . S C45 O96 1.244 1_455 S C46 H47 1.099 . S C46 C108 1.391 . D C46 C237 1.401 . S C48 C106 1.390 . S C48 C258 1.396 . D O49 Ga178 1.923 1_455 S O49 C238 1.269 . S O50 C90 1.245 1_545 S O50 Ga195 2.036 . S O51 C52 1.263 . D O51 Ga205 1.952 1_565 S C52 C55 1.494 . S C52 O88 1.243 1_565 S C53 H54 1.099 . S C53 C101 1.391 . S C53 C239 1.401 . D C55 C99 1.391 . D C55 C260 1.395 . S O56 Ga180 1.919 1_565 S O56 C240 1.269 . D O57 C105 1.244 . S O57 Ga197 2.034 . S O58 C59 1.260 . D O58 Ga207 1.956 . S C59 C62 1.495 . S C59 O103 1.246 . S C60 H61 1.100 1_565 S C60 C93 1.392 . D C60 C241 1.402 . S H61 C60 1.100 1_545 S C62 C91 1.391 . S C62 C262 1.396 . D H63 O182 0.948 . S O64 Ga176 1.922 . S O64 C242 1.268 . S O65 C120 1.245 1_455 D O65 Ga199 2.036 . S O66 C67 1.262 . D O66 Ga209 1.951 1_656 S C67 C70 1.494 . S C67 O118 1.244 1_655 S C68 H69 1.099 . S C68 C131 1.390 . D C68 C243 1.401 . S C70 C129 1.391 . S C70 C264 1.396 . D H71 O192 0.948 . S O72 Ga175 1.918 1_655 S O72 C244 1.269 . D O73 C113 1.244 1_565 D O73 Ga201 2.040 . S O74 C75 1.262 . D O74 Ga208 1.955 1_556 S C75 C78 1.495 . S C75 O111 1.243 1_545 S C76 H77 1.099 1_655 S C76 C123 1.391 . S C76 C245 1.401 . D H77 C76 1.099 1_455 S C78 C121 1.391 . D C78 C266 1.396 . S H79 O190 0.948 . S O80 Ga177 1.919 1_545 S O80 C246 1.269 . S O81 C128 1.245 . D O81 Ga203 2.034 . S O82 C83 1.261 . D O82 Ga210 1.952 1_556 S C83 C86 1.493 . S C83 O126 1.245 . S C84 H85 1.099 . S C84 C116 1.391 . D C84 C247 1.401 . S C86 C114 1.390 . S C86 C268 1.396 . D O87 Ga178 1.922 . S O87 C240 1.269 . S O88 C52 1.243 1_545 S O88 Ga195 2.038 . S O89 C90 1.261 . D O89 Ga205 1.958 1_565 S C90 O50 1.245 1_565 S C90 C93 1.497 . S C91 H92 1.099 . S C91 C241 1.402 . D C93 C262 1.396 . S H94 O186 0.950 . S O95 Ga179 1.922 1_565 S O95 C238 1.269 . D O96 C45 1.244 1_655 S O96 Ga193 2.040 . S O97 C98 1.264 . D O97 Ga206 1.953 . S C98 O43 1.243 1_455 S C98 C101 1.493 . S C99 H100 1.099 1_565 S C99 C239 1.402 . S H100 C99 1.099 1_545 S C101 C260 1.395 . D O102 Ga180 1.920 1_455 S O102 C236 1.269 . S O103 Ga197 2.027 . S O104 C105 1.262 . D O104 Ga207 1.949 . S C105 C108 1.492 . S C106 H107 1.099 . S C106 C237 1.401 . D C108 C258 1.396 . S H109 O184 0.952 . S O110 Ga175 1.923 . S O110 C246 1.269 . D O111 C75 1.243 1_565 S O111 Ga201 2.036 . S O112 C113 1.262 . S O112 Ga208 1.955 1_556 S C113 O73 1.244 1_545 D C113 C116 1.494 . S C114 H115 1.099 . S C114 C247 1.401 . D C116 C268 1.396 . S O117 Ga176 1.921 1_545 S O117 C244 1.269 . S O118 C67 1.244 1_455 S O118 Ga199 2.039 . S O119 C120 1.261 . S O119 Ga209 1.954 1_656 S C120 O65 1.245 1_655 D C120 C123 1.494 . S C121 H122 1.099 . S C121 C245 1.402 . S C123 C266 1.396 . D H124 O188 0.949 . S O125 Ga177 1.913 1_655 S O125 C242 1.269 . D O126 Ga203 2.034 . S O127 C128 1.262 . S O127 Ga210 1.950 1_556 S C128 C131 1.493 . S C129 H130 1.099 1_655 S C129 C243 1.401 . D H130 C129 1.099 1_455 S C131 C264 1.396 . S O132 Ga176 1.920 . S O132 C228 1.269 . S O133 C8 1.244 1_455 S O133 Ga183 2.035 . S O134 C135 1.262 . D O134 Ga206 1.953 1_655 S C135 O6 1.244 1_655 S C135 C138 1.494 . S C136 H137 1.099 . S C136 C229 1.401 . S C138 C250 1.396 . D H139 O198 0.950 . S O140 Ga175 1.920 1_655 S O140 C226 1.270 . D O141 C4 1.243 1_565 D O141 Ga181 2.029 . S O142 C143 1.262 . D O142 Ga205 1.956 . S C143 O2 1.243 1_545 S C143 C146 1.495 . S C144 H145 1.099 1_655 S C144 C227 1.401 . D H145 C144 1.099 1_455 S C146 C248 1.395 . S H147 O194 0.948 . S O148 Ga177 1.929 1_545 S O148 C225 1.259 . S O149 Ga185 2.044 . S O150 C151 1.258 . D O150 Ga207 1.951 . S C151 H283 1.097 . S O152 Ga179 1.922 . S O152 C234 1.268 . S O153 C31 1.244 1_655 S O153 Ga189 2.046 . S O154 C155 1.262 . D O154 Ga209 1.950 . S C155 O29 1.244 1_455 S C155 C158 1.492 . S C156 H157 1.099 . S C156 C235 1.401 . D C158 C256 1.395 . S O159 Ga178 1.925 1_455 S O159 C232 1.269 . S O160 C23 1.244 1_545 S O160 Ga187 2.037 . S O161 C162 1.264 . D O161 Ga208 1.955 1_565 S C162 O21 1.243 1_565 S C162 C165 1.495 . S C163 H164 1.099 . S C163 C233 1.401 . D C165 C254 1.396 . S H166 O200 0.948 . S O167 Ga180 1.921 1_565 S O167 C230 1.269 . D O168 Ga191 2.025 . S O169 C170 1.262 . D O169 Ga210 1.950 . S C170 C173 1.493 . S C171 H172 1.099 1_565 S C171 C231 1.401 . S H172 C171 1.099 1_545 S C173 C252 1.396 . D H174 O202 0.950 . S Ga175 O140 1.920 1_455 S Ga175 O72 1.918 1_455 S Ga175 O211 1.813 . S Ga176 O5 1.921 1_565 S Ga176 O117 1.921 1_565 S Ga176 O211 1.816 1_665 S Ga177 O13 1.917 1_455 S Ga177 O148 1.929 1_565 S Ga177 O80 1.919 1_565 S Ga177 O125 1.913 1_455 S Ga177 O211 1.815 1_565 S Ga178 O159 1.925 1_655 S Ga178 O49 1.923 1_655 S Ga178 O212 1.813 1_665 S Ga179 O28 1.923 1_545 S Ga179 O95 1.922 1_545 S Ga179 O212 1.813 . S Ga180 O167 1.921 1_545 S Ga180 O35 1.921 1_655 S Ga180 O102 1.920 1_655 S Ga180 O56 1.919 1_545 S Ga180 O212 1.814 1_655 S Ga181 O182 1.918 . S Ga181 O213 1.896 . S Ga181 O215 1.894 . S O182 Ga205 1.922 1_565 S Ga183 O184 1.922 . S Ga183 O213 1.892 . S Ga183 O214 1.895 . S O184 Ga206 1.926 . S Ga185 O186 1.912 . S Ga185 O214 1.894 . S Ga185 O215 1.889 . S O186 Ga207 1.919 . S Ga187 O188 1.922 . S Ga187 O216 1.899 . S Ga187 O218 1.900 . S O188 Ga208 1.922 . S Ga189 O190 1.918 . S Ga189 O216 1.892 . S Ga189 O217 1.893 . S O190 Ga209 1.919 1_655 S Ga191 O192 1.914 . S Ga191 O217 1.888 . S Ga191 O218 1.889 . S O192 Ga210 1.918 . S Ga193 O194 1.919 . S Ga193 O219 1.892 . S Ga193 O221 1.896 . S O194 Ga206 1.921 1_655 S Ga195 O196 1.920 . S Ga195 O219 1.894 . S Ga195 O220 1.899 . S O196 Ga205 1.919 . S Ga197 O198 1.915 . S Ga197 O220 1.892 . S Ga197 O221 1.892 . S O198 Ga207 1.918 . S Ga199 O200 1.918 . S Ga199 O222 1.892 . S Ga199 O224 1.896 . S O200 Ga209 1.920 1_556 S Ga201 O202 1.921 . S Ga201 O222 1.895 . S Ga201 O223 1.898 . S O202 Ga208 1.924 1_566 S Ga203 O204 1.914 . S Ga203 O223 1.891 . S Ga203 O224 1.892 . S O204 Ga210 1.918 1_556 S Ga205 O89 1.958 1_545 S Ga205 O51 1.952 1_545 S Ga205 O182 1.922 1_545 S Ga206 O194 1.921 1_455 S Ga206 O134 1.953 1_455 S Ga206 O7 1.951 1_455 S Ga208 O22 1.948 1_545 S Ga208 O161 1.955 1_545 S Ga208 O112 1.955 1_554 S Ga208 O74 1.955 1_554 S Ga208 O202 1.924 1_544 S Ga209 O190 1.919 1_455 S Ga209 O66 1.951 1_454 S Ga209 O200 1.920 1_554 S Ga209 O119 1.954 1_454 S Ga210 O127 1.950 1_554 S Ga210 O204 1.918 1_554 S Ga210 O82 1.952 1_554 S O211 Ga176 1.816 1_445 S O211 Ga177 1.815 1_545 S O212 Ga180 1.814 1_455 S O212 Ga178 1.813 1_445 S O213 H278 0.972 . S O214 H276 0.974 . S O215 H277 0.973 . S O216 H274 0.974 . S O217 H273 0.975 . S O218 H275 0.975 . S O219 H271 0.973 . S O220 H272 0.975 . S O221 H270 0.976 . S O222 H281 0.973 . S O223 H279 0.975 . S O224 H280 0.975 . S C225 H284 1.103 . S C226 C227 1.471 . S C228 C229 1.470 . S C230 C231 1.472 . S C232 C233 1.473 . S C234 C235 1.472 . S C236 C237 1.471 . S C238 C239 1.472 . S C240 C241 1.473 . S C242 C243 1.470 . S C244 C245 1.472 . S C246 C247 1.471 . S C248 H249 1.105 . S C250 H251 1.106 . S C252 H253 1.105 . S C254 H255 1.104 . S C256 H257 1.105 . S C258 H259 1.105 . S C260 H261 1.104 . S C262 H263 1.104 . S C264 H265 1.105 . S C266 H267 1.105 . S C268 H269 1.105 . S