#------------------------------------------------------------------------------ #$Date: 2019-12-13 10:49:55 +0200 (Fri, 13 Dec 2019) $ #$Revision: 245051 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556553.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1556553 loop_ _publ_author_name 'Nguyen, H.N.' 'Tashima, N.' 'Ikariya, T.' 'Kuwata, S.' _publ_section_title ; Ruthenium-Catalyzed Dimerization of 1,1-Diphenylpropargyl Alcohol to a Hydroxybenzocyclobutene and Related Reactions ; _journal_name_full Inorganics _journal_page_first 80 _journal_paper_doi 10.3390/inorganics5040080 _journal_volume 5 _journal_year 2017 _chemical_formula_moiety 'C55 H50 O3 Ru' _chemical_formula_sum 'C55 H50 O3 Ru' _chemical_formula_weight 860.07 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90.0000 _cell_angle_beta 107.378(2) _cell_angle_gamma 90.0000 _cell_formula_units_Z 4 _cell_length_a 17.089(4) _cell_length_b 12.512(3) _cell_length_c 20.001(4) _cell_measurement_reflns_used 14564 _cell_measurement_temperature 123 _cell_measurement_theta_max 27.48 _cell_measurement_theta_min 3.07 _cell_volume 4081.4(16) _computing_cell_refinement CrystalClear _computing_data_collection 'CrystalClear (Rigaku Corp., 2000)' _computing_data_reduction CrystalClear _computing_molecular_graphics 'CrystalStructure 4.2.5' _computing_publication_material 'CrystalStructure 4.2.5 (Rigaku, 2017)' _computing_structure_refinement 'SHELXL Version 2014/7 (Sheldrick, 2008)' _computing_structure_solution 'SIR92 (Altomare, et al., 1994)' _diffrn_ambient_temperature 123 _diffrn_detector_area_resol_mean 7.314 _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Rigaku Saturn70' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71075 _diffrn_reflns_av_R_equivalents 0.0300 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 31910 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.494 _diffrn_reflns_theta_min 3.204 _diffrn_standards_interval_count . _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.431 _exptl_absorpt_correction_T_max 0.917 _exptl_absorpt_correction_T_min 0.764 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'REQAB (Rigaku, 1998)' _exptl_crystal_colour orange _exptl_crystal_density_diffrn 1.400 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1792.00 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.200 _refine_diff_density_max 0.74 _refine_diff_density_min -0.72 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.359 _refine_ls_hydrogen_treatment constr _refine_ls_number_parameters 539 _refine_ls_number_reflns 9326 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0392 _refine_ls_R_factor_gt 0.0332 _refine_ls_shift/su_max 0.002 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)+(0.0374P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0774 _refine_ls_wR_factor_ref 0.0795 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 8496 _reflns_number_total 9326 _reflns_threshold_expression F^2^>2.0\s(F^2^) _cod_data_source_file Inorganics-2017-5-80.cif _cod_data_source_block compound_4 _cod_original_cell_volume 4081.5(15) _cod_database_code 1556553 _shelx_res_file ; shelxl.res created by SHELXL-2014/7 TITL CpRuHPh2propargyl CELL 0.71075 17.08910 12.51200 20.00140 90.00000 107.37770 90.00000 ZERR 4 0.00370 0.00250 0.00430 0.00000 0.00210 0.00000 LATT 1 SYMM -X, .50+Y, .50-Z SFAC C H O RU UNIT 220 200 12 4 L.S. 20 FMAP 2 PLAN 25 WPDB -2 HTAB BOND $H CONF LIST 4 TEMP -149.8 ACTA SIZE 0.200 0.200 0.200 WGHT 0.037400 FVAR 1.03503 RU1 4 0.253636 0.146260 0.490568 11.00000 0.01229 0.01450 = 0.00980 -0.00064 0.00365 0.00126 O1 3 0.295598 0.141797 0.298043 11.00000 0.01126 0.02428 = 0.01137 0.00327 0.00134 -0.00393 O2 3 0.170635 0.197670 0.307768 11.00000 0.01986 0.01576 = 0.01341 -0.00135 0.00395 0.00287 AFIX 147 H1 2 0.182969 0.202789 0.351564 11.00000 -1.50000 AFIX 0 O3 3 0.123377 -0.089082 0.475866 11.00000 0.01326 0.02399 = 0.01916 0.00396 0.00584 0.00286 AFIX 147 H2 2 0.104661 -0.059366 0.436661 11.00000 -1.50000 AFIX 0 C1 1 0.157181 0.272549 0.474731 11.00000 0.02543 0.02612 = 0.01404 -0.00283 0.00413 0.01216 C2 1 0.236681 0.319710 0.499492 11.00000 0.03099 0.01419 = 0.02105 -0.00103 0.01427 0.00625 C3 1 0.276857 0.275634 0.566583 11.00000 0.01846 0.01682 = 0.01969 -0.00484 0.00734 0.00258 C4 1 0.222974 0.199884 0.582940 11.00000 0.02161 0.01788 = 0.01475 -0.00185 0.00784 0.00317 C5 1 0.148501 0.197766 0.526172 11.00000 0.01655 0.02246 = 0.02361 -0.00880 0.00965 0.00229 C6 1 0.088527 0.312499 0.413561 11.00000 0.04210 0.04207 = 0.02161 -0.00773 -0.00291 0.02587 AFIX 137 H3 2 0.047552 0.255907 0.397526 11.00000 -1.50000 H4 2 0.110442 0.332717 0.375320 11.00000 -1.50000 H5 2 0.062889 0.374883 0.428012 11.00000 -1.50000 AFIX 0 C7 1 0.268363 0.409896 0.466016 11.00000 0.06418 0.02156 = 0.04316 0.00533 0.03621 0.00816 AFIX 137 H6 2 0.254722 0.477963 0.484074 11.00000 -1.50000 H7 2 0.243128 0.407192 0.415142 11.00000 -1.50000 H8 2 0.328023 0.403701 0.476870 11.00000 -1.50000 AFIX 0 C8 1 0.358498 0.311252 0.613920 11.00000 0.02490 0.02718 = 0.03911 -0.01490 0.00305 -0.00057 AFIX 137 H9 2 0.396269 0.323147 0.586186 11.00000 -1.50000 H10 2 0.380845 0.255971 0.649165 11.00000 -1.50000 H11 2 0.351689 0.377896 0.637320 11.00000 -1.50000 AFIX 0 C9 1 0.238351 0.140224 0.651059 11.00000 0.04252 0.02606 = 0.01742 0.00306 0.01402 0.00723 AFIX 137 H12 2 0.209705 0.071404 0.642443 11.00000 -1.50000 H13 2 0.218011 0.182491 0.683638 11.00000 -1.50000 H14 2 0.297342 0.127961 0.671417 11.00000 -1.50000 AFIX 0 C10 1 0.071835 0.139694 0.525732 11.00000 0.02189 0.03704 = 0.04918 -0.01616 0.01987 -0.00465 AFIX 137 H15 2 0.037244 0.130192 0.477284 11.00000 -1.50000 H16 2 0.041962 0.181256 0.551746 11.00000 -1.50000 H17 2 0.086071 0.069590 0.547877 11.00000 -1.50000 AFIX 0 C11 1 0.257071 0.026019 0.409227 11.00000 0.01152 0.01387 = 0.01269 -0.00025 0.00515 0.00201 C12 1 0.328383 0.092709 0.422855 11.00000 0.01276 0.01390 = 0.01338 -0.00095 0.00531 0.00206 C13 1 0.373667 0.082570 0.494951 11.00000 0.01133 0.01741 = 0.01484 -0.00185 0.00251 0.00064 AFIX 43 H18 2 0.423004 0.119096 0.518286 11.00000 -1.20000 AFIX 0 C14 1 0.332042 0.008279 0.525726 11.00000 0.01284 0.01706 = 0.01220 0.00115 0.00242 0.00393 AFIX 43 H19 2 0.349514 -0.013479 0.573402 11.00000 -1.20000 AFIX 0 C15 1 0.259679 -0.028999 0.474070 11.00000 0.01233 0.01312 = 0.01269 -0.00035 0.00462 0.00185 C16 1 0.207871 0.008865 0.333452 11.00000 0.01207 0.01450 = 0.01031 -0.00051 0.00430 0.00201 AFIX 13 H20 2 0.236884 -0.048673 0.315469 11.00000 -1.20000 AFIX 0 C17 1 0.213239 0.111849 0.290168 11.00000 0.01176 0.01439 = 0.01356 -0.00017 0.00390 -0.00005 C18 1 0.359554 0.136918 0.365011 11.00000 0.01092 0.01636 = 0.01216 -0.00101 0.00250 -0.00164 C19 1 0.119431 -0.027397 0.317007 11.00000 0.01285 0.01750 = 0.00927 0.00321 0.00237 -0.00114 C20 1 0.060125 0.031689 0.335821 11.00000 0.01562 0.02238 = 0.01659 -0.00039 0.00501 0.00064 AFIX 43 H21 2 0.075318 0.096056 0.361634 11.00000 -1.20000 AFIX 0 C21 1 -0.020849 -0.002319 0.317323 11.00000 0.01490 0.03408 = 0.02429 0.00444 0.00818 0.00182 AFIX 43 H22 2 -0.060738 0.038937 0.330210 11.00000 -1.20000 AFIX 0 C22 1 -0.043639 -0.097065 0.279815 11.00000 0.01555 0.03821 = 0.01962 0.00539 -0.00001 -0.00950 AFIX 43 H23 2 -0.098969 -0.120693 0.267127 11.00000 -1.20000 AFIX 0 C23 1 0.014613 -0.156011 0.261343 11.00000 0.02533 0.02504 = 0.01556 -0.00096 -0.00028 -0.01056 AFIX 43 H24 2 -0.000482 -0.221010 0.236250 11.00000 -1.20000 AFIX 0 C24 1 0.095257 -0.121154 0.279120 11.00000 0.02059 0.01959 = 0.01326 0.00052 0.00431 -0.00185 AFIX 43 H25 2 0.134611 -0.161969 0.265197 11.00000 -1.20000 AFIX 0 C25 1 0.177582 0.085146 0.212389 11.00000 0.01599 0.01432 = 0.01230 0.00180 0.00433 -0.00182 C26 1 0.100610 0.119808 0.173135 11.00000 0.01837 0.01849 = 0.01797 -0.00057 0.00395 0.00366 AFIX 43 H26 2 0.070007 0.166377 0.193336 11.00000 -1.20000 AFIX 0 C27 1 0.068182 0.086223 0.103970 11.00000 0.02092 0.02606 = 0.01926 0.00094 -0.00299 0.00282 AFIX 43 H27 2 0.015793 0.111123 0.076873 11.00000 -1.20000 AFIX 0 C28 1 0.111625 0.016821 0.074307 11.00000 0.03026 0.02511 = 0.01072 -0.00170 0.00282 -0.00276 AFIX 43 H28 2 0.088649 -0.007000 0.027421 11.00000 -1.20000 AFIX 0 C29 1 0.188574 -0.017542 0.113330 11.00000 0.02955 0.02492 = 0.01559 -0.00209 0.00972 0.00305 AFIX 43 H29 2 0.218839 -0.064854 0.093286 11.00000 -1.20000 AFIX 0 C30 1 0.221567 0.017379 0.182058 11.00000 0.01765 0.02497 = 0.01309 0.00272 0.00462 0.00330 AFIX 43 H30 2 0.274832 -0.005448 0.208522 11.00000 -1.20000 AFIX 0 C31 1 0.397200 0.248354 0.380989 11.00000 0.01858 0.01773 = 0.01777 -0.00371 0.01176 -0.00331 C32 1 0.359495 0.336860 0.343334 11.00000 0.02552 0.02113 = 0.02359 0.00077 0.01400 -0.00053 AFIX 43 H31 2 0.307937 0.329410 0.308570 11.00000 -1.20000 AFIX 0 C33 1 0.396843 0.436424 0.356258 11.00000 0.04155 0.01716 = 0.04108 0.00103 0.03006 0.00017 AFIX 43 H32 2 0.370999 0.496380 0.329533 11.00000 -1.20000 AFIX 0 C34 1 0.471156 0.449514 0.407504 11.00000 0.04710 0.02207 = 0.04477 -0.01523 0.03189 -0.01772 AFIX 43 H33 2 0.495915 0.518106 0.416518 11.00000 -1.20000 AFIX 0 C35 1 0.509021 0.361495 0.445497 11.00000 0.02949 0.03630 = 0.03181 -0.01380 0.01357 -0.01472 AFIX 43 H34 2 0.559841 0.369757 0.481093 11.00000 -1.20000 AFIX 0 C36 1 0.473118 0.261324 0.431841 11.00000 0.01979 0.02710 = 0.02292 -0.00374 0.00707 -0.00573 AFIX 43 H35 2 0.500306 0.201001 0.457232 11.00000 -1.20000 AFIX 0 C37 1 0.420600 0.060030 0.347073 11.00000 0.01199 0.01875 = 0.01230 -0.00395 0.00184 -0.00026 C38 1 0.426247 -0.046722 0.365369 11.00000 0.01693 0.02080 = 0.02795 0.00168 0.00923 0.00201 AFIX 43 H36 2 0.399351 -0.072198 0.397505 11.00000 -1.20000 AFIX 0 C39 1 0.470882 -0.117416 0.337277 11.00000 0.02215 0.02105 = 0.03532 -0.00158 0.00744 0.00470 AFIX 43 H37 2 0.473358 -0.190909 0.349665 11.00000 -1.20000 AFIX 0 C40 1 0.511590 -0.081378 0.291509 11.00000 0.02350 0.03389 = 0.02389 -0.00894 0.00762 0.00843 AFIX 43 H38 2 0.541239 -0.129898 0.271685 11.00000 -1.20000 AFIX 0 C41 1 0.508762 0.025875 0.274857 11.00000 0.04175 0.04026 = 0.03099 0.00328 0.02581 0.00942 AFIX 43 H39 2 0.538004 0.051767 0.244569 11.00000 -1.20000 AFIX 0 C42 1 0.463421 0.095914 0.302162 11.00000 0.03919 0.02392 = 0.02911 0.00231 0.02208 0.00443 AFIX 43 H40 2 0.461535 0.169489 0.290053 11.00000 -1.20000 AFIX 0 C43 1 0.205830 -0.120957 0.485245 11.00000 0.01321 0.01718 = 0.01342 0.00211 0.00484 0.00222 C44 1 0.237037 -0.164302 0.560967 11.00000 0.02043 0.01614 = 0.01378 0.00081 0.00391 -0.00348 C45 1 0.190057 -0.152767 0.606125 11.00000 0.03178 0.02272 = 0.01985 0.00311 0.01276 0.00219 AFIX 43 H41 2 0.138455 -0.117703 0.590863 11.00000 -1.20000 AFIX 0 C46 1 0.219071 -0.193226 0.674782 11.00000 0.05374 0.03078 = 0.01995 0.00303 0.02034 -0.00226 AFIX 43 H42 2 0.187065 -0.184446 0.705916 11.00000 -1.20000 AFIX 0 C47 1 0.292731 -0.244990 0.697200 11.00000 0.04973 0.02682 = 0.01496 0.00543 0.00321 -0.00540 AFIX 43 H43 2 0.311690 -0.271863 0.743684 11.00000 -1.20000 AFIX 0 C48 1 0.339489 -0.258181 0.652334 11.00000 0.02812 0.02771 = 0.02295 0.00707 -0.00047 -0.00222 AFIX 43 H44 2 0.390588 -0.294438 0.667716 11.00000 -1.20000 AFIX 0 C49 1 0.311466 -0.218048 0.584174 11.00000 0.02236 0.02770 = 0.02027 0.00556 0.00559 -0.00057 AFIX 43 H45 2 0.343672 -0.227594 0.553269 11.00000 -1.20000 AFIX 0 C50 1 0.206864 -0.214825 0.435591 11.00000 0.01993 0.01468 = 0.01076 0.00371 0.00350 0.00069 C51 1 0.139701 -0.282507 0.414225 11.00000 0.02210 0.02082 = 0.02364 0.00246 0.00545 -0.00027 AFIX 43 H46 2 0.093459 -0.270562 0.430325 11.00000 -1.20000 AFIX 0 C52 1 0.139382 -0.368094 0.369249 11.00000 0.03429 0.01965 = 0.02326 -0.00111 0.00038 -0.00416 AFIX 43 H47 2 0.092711 -0.413249 0.354205 11.00000 -1.20000 AFIX 0 C53 1 0.207072 -0.386890 0.346718 11.00000 0.04861 0.01618 = 0.02035 -0.00040 0.01022 0.00368 AFIX 43 H48 2 0.206901 -0.444852 0.315995 11.00000 -1.20000 AFIX 0 C54 1 0.274664 -0.321753 0.368740 11.00000 0.03995 0.01917 = 0.02735 0.00179 0.01994 0.00675 AFIX 43 H49 2 0.321484 -0.335253 0.353722 11.00000 -1.20000 AFIX 0 C55 1 0.274541 -0.235670 0.413216 11.00000 0.02543 0.01708 = 0.02175 0.00239 0.01087 0.00106 AFIX 43 H50 2 0.321458 -0.190939 0.428266 11.00000 -1.20000 AFIX 0 HKLF 4 REM CpRuHPh2propargyl REM R1 = 0.0332 for 8496 Fo > 4sig(Fo) and 0.0392 for all 9326 data REM 539 parameters refined using 0 restraints END WGHT 0.0378 2.7158 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.736, deepest hole -0.722, 1-sigma level 0.063 Q1 1 0.2547 0.1434 0.5400 11.00000 0.05 0.74 Q2 1 0.1944 0.0986 0.2475 11.00000 0.05 0.56 Q3 1 0.2490 0.5611 0.4908 11.00000 0.05 0.55 Q4 1 0.2388 0.1501 0.4400 11.00000 0.05 0.52 Q5 1 0.2302 0.0192 0.3706 11.00000 0.05 0.41 Q6 1 0.2206 -0.1482 0.5254 11.00000 0.05 0.41 Q7 1 0.3462 0.1174 0.4005 11.00000 0.05 0.39 Q8 1 0.2524 -0.0079 0.4380 11.00000 0.05 0.38 Q9 1 0.3566 0.0851 0.4559 11.00000 0.05 0.36 Q10 1 0.2078 0.0580 0.3094 11.00000 0.05 0.36 Q11 1 0.2578 0.3057 0.5353 11.00000 0.05 0.36 Q12 1 0.2011 0.0100 0.1501 11.00000 0.05 0.35 Q13 1 0.1801 0.2127 0.5675 11.00000 0.05 0.34 Q14 1 0.2494 0.2464 0.5780 11.00000 0.05 0.33 Q15 1 0.2136 -0.1838 0.4671 11.00000 0.05 0.33 Q16 1 0.2869 0.0799 0.4175 11.00000 0.05 0.31 Q17 1 0.3926 0.0955 0.3609 11.00000 0.05 0.31 Q18 1 0.2179 -0.1651 0.6453 11.00000 0.05 0.29 Q19 1 0.3291 0.1393 0.3420 11.00000 0.05 0.28 Q20 1 0.1592 -0.0177 0.3260 11.00000 0.05 0.28 Q21 1 0.4288 0.0048 0.3589 11.00000 0.05 0.28 Q22 1 0.2184 0.1578 0.3934 11.00000 0.05 0.28 Q23 1 0.3815 0.1988 0.3765 11.00000 0.05 0.27 Q24 1 0.2757 0.2029 0.4542 11.00000 0.05 0.27 Q25 1 0.1428 0.1019 0.1947 11.00000 0.05 0.27 ; _shelx_res_checksum 98304 _shelx_hkl_file ; 0 0 -3 4.31 8.59 0 0 3 19.39 11.41 0 0 3 12.27 8.12 0 0 -4 774.70 31.26 0 0 4 793.00 25.02 0 0 4 740.18 18.82 0 0 4 780.96 19.93 0 0 -5 12.63 13.69 0 0 5 2.48 10.23 0 0 5 15.89 12.53 0 0 5 16.23 11.28 0 0 -644380.41 1150.68 0 0 644855.18 1162.52 0 0 643673.87 1126.74 0 0 646573.41 1201.64 0 0 -7 9.35 15.30 0 0 7 9.30 14.17 0 0 7 9.58 12.28 0 0 7 9.41 7.47 0 0 -8 676.72 34.25 0 0 8 722.64 36.63 0 0 8 733.84 29.27 0 0 8 714.09 45.44 0 0 -9 9.32 14.96 0 0 9 10.44 9.12 0 0 9 6.78 7.78 0 0 -1025166.85 890.25 0 0 1025442.96 891.73 0 0 1026071.08 914.81 0 0 -1214130.77 424.77 0 0 1214139.78 409.94 0 0 1214802.92 431.64 0 0 -13 11.00 15.07 0 0 13 6.81 9.07 0 0 -1411986.58 404.23 0 0 1412013.66 398.02 0 0 -15 5.72 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1043.11 75.31 8 -7 8 1015.22 80.74 8 7 9 5680.63 207.01 -8 -7 -9 6206.85 213.37 8 -7 9 6134.61 198.88 8 7 10 175.09 82.28 -8 -7 -10 166.19 54.51 8 -7 10 88.68 42.12 8 7 11 5203.89 238.20 -8 -7 -11 5402.07 195.65 8 -7 11 5315.38 178.81 8 -7 12 29.64 24.74 8 7 13 4430.80 220.64 -8 -7 -13 4479.21 165.50 8 7 14 71.45 48.62 -8 -7 -14 75.12 36.28 8 7 15 3168.12 143.87 -8 -7 -15 3275.61 115.29 8 7 16 179.33 73.42 -8 -7 -16 62.60 58.42 8 7 17 1612.26 133.34 -8 -7 -17 1349.78 102.98 8 8 -22 657.56 79.13 8 -8 -22 704.51 82.99 8 -8 -22 713.75 75.17 8 8 -21 1347.50 91.20 8 -8 -21 1559.30 85.89 8 -8 -21 1412.42 86.78 8 8 -20 47.60 49.24 8 -8 -20 103.24 69.79 8 -8 -20 119.54 33.74 8 8 -19 2346.67 107.91 8 -8 -19 2657.24 103.56 8 -8 -19 2557.29 101.45 8 8 -18 87.15 64.03 8 -8 -18 52.29 55.52 8 -8 -18 57.70 42.84 8 8 -17 1762.66 110.30 8 -8 -17 1647.47 72.26 8 -8 -17 1739.75 81.58 8 8 -16 913.62 82.06 8 -8 -16 865.82 62.67 8 -8 -16 912.27 74.19 8 8 -15 7706.46 271.87 8 -8 -15 7811.90 253.17 8 -8 -15 7405.19 244.99 8 8 -14 174.17 64.23 8 -8 -14 125.02 38.66 8 -8 -14 192.36 46.53 8 8 -13 1460.66 83.95 8 -8 -13 1594.05 67.49 8 -8 -13 1708.86 83.21 8 8 -12 63.29 43.46 8 -8 -12 25.43 23.29 8 -8 -12 62.77 41.31 8 8 -11 8167.75 164.94 8 8 -11 8348.13 203.68 8 -8 -11 8086.46 173.67 8 -8 -11 8614.93 158.38 8 8 -10 53.16 42.18 8 8 -10 18.07 34.78 8 -8 -10 58.06 38.05 8 -8 -10 45.47 32.46 8 8 -9 1539.58 114.28 8 8 -9 1557.82 99.10 8 -8 -9 1497.76 74.78 8 -8 -9 1557.31 60.86 8 8 -8 277.71 54.48 8 8 -8 120.25 65.39 8 -8 -8 194.51 46.77 8 -8 -8 204.52 28.65 -8 8 7 13.19 18.42 8 8 -7 11.44 31.71 8 8 -7 70.21 45.87 8 -8 -7 19.36 16.93 8 -8 -7 17.30 25.14 -8 8 6 410.97 30.79 8 8 -6 456.85 75.36 8 8 -6 497.66 74.36 8 -8 -6 435.60 29.21 8 -8 -6 541.68 53.36 8 8 -5 3394.82 128.37 -8 8 5 3237.59 50.07 -8 -8 5 3488.92 128.76 8 -8 -5 3254.04 90.75 8 -8 -5 3108.55 63.46 8 8 -4 1313.68 88.62 -8 8 4 1134.92 31.22 -8 -8 4 1263.54 90.46 8 -8 -4 1167.56 72.66 8 -8 -4 1167.21 23.10 8 8 -3 1212.85 78.88 -8 -8 3 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402.46 78.38 8 9 -9 436.52 93.12 8 -9 -9 372.35 66.03 8 -9 -9 397.18 46.30 8 9 -8 3269.33 105.52 8 9 -8 3204.00 118.72 8 -9 -8 3439.95 111.45 8 -9 -8 3169.49 64.77 8 9 -7 1328.22 76.54 8 9 -7 1160.70 87.62 8 -9 -7 1263.29 72.78 8 -9 -7 1193.66 46.55 8 9 -6 317.89 79.77 8 9 -6 198.66 73.83 8 -9 -6 235.27 58.91 8 -9 -6 241.37 35.64 8 9 -5 1417.54 88.77 8 -9 -5 1342.06 33.88 8 -9 -5 1391.75 79.90 8 9 -4 2117.25 92.90 -8 -9 4 2413.51 103.20 8 -9 -4 2377.42 87.09 8 9 -3 3829.35 129.51 -8 -9 3 3972.98 133.19 8 -9 -3 3764.98 115.33 8 9 -2 529.27 74.98 -8 -9 2 297.29 152.44 8 -9 -2 204.14 41.35 8 9 -1 275.56 59.41 -8 -9 1 263.83 69.50 8 -9 -1 139.78 43.77 8 9 0 43.95 39.57 -8 -9 0 12.66 26.90 8 -9 0 10.62 25.08 8 9 1 6601.36 173.89 -8 -9 -1 6914.57 168.65 8 -9 1 7113.93 158.67 8 9 2 518.14 105.36 -8 -9 -2 577.01 81.21 8 -9 2 249.42 60.04 8 9 3 1402.18 82.64 -8 -9 -3 1375.82 80.38 8 -9 3 1267.25 91.38 8 9 4 1437.93 103.08 -8 -9 -4 1230.77 80.42 8 -9 4 1320.85 69.90 8 9 5 743.79 154.96 -8 -9 -5 835.24 78.64 8 -9 5 676.14 55.44 8 9 6 1211.79 91.69 -8 -9 -6 1347.51 99.80 8 -9 6 1132.84 57.66 8 9 7 192.10 59.00 -8 -9 -7 217.60 60.79 8 -9 7 207.60 52.88 8 9 8 62.28 40.08 -8 -9 -8 128.95 59.62 8 -9 8 88.68 36.78 8 9 9 104.49 46.19 -8 -9 -9 124.63 40.08 8 -9 9 105.54 51.94 8 9 10 109.36 42.54 -8 -9 -10 159.69 54.01 8 -9 10 120.12 46.90 8 9 11 622.20 92.46 -8 -9 -11 635.21 72.66 8 9 12 384.30 85.77 -8 -9 -12 401.33 69.86 8 9 13 1087.43 104.71 -8 -9 -13 1234.05 101.88 8 9 14 491.73 84.44 -8 -9 -14 367.13 80.86 8 9 15 1046.86 115.18 -8 -9 -15 994.41 90.85 8 10 -20 82.36 62.54 8 -10 -20 52.15 30.32 8 -10 -20 89.46 26.94 8 10 -19 38.48 48.42 8 -10 -19 80.36 31.73 8 -10 -19 19.66 18.77 8 10 -18 841.02 77.43 8 -10 -18 926.72 66.89 8 -10 -18 878.92 79.34 8 10 -17 721.47 74.62 8 -10 -17 664.29 70.63 8 -10 -17 743.24 72.87 8 10 -16 273.39 63.66 8 -10 -16 271.30 60.86 8 -10 -16 287.63 67.29 8 10 -15 522.96 69.13 8 -10 -15 703.89 68.17 8 -10 -15 544.16 107.57 8 10 -14 1333.38 92.46 8 -10 -14 1260.11 72.78 8 -10 -14 1250.91 75.27 8 10 -13 167.67 78.05 8 -10 -13 124.57 46.75 8 -10 -13 109.15 33.43 8 10 -12 4327.93 154.92 8 -10 -12 4448.08 133.02 8 -10 -12 4337.12 147.68 8 10 -11 1053.46 109.94 8 -10 -11 1008.71 57.10 8 -10 -11 908.80 74.31 8 10 -10 340.48 55.14 8 10 -10 411.26 102.48 8 -10 -10 341.10 60.54 8 -10 -10 401.13 35.54 8 10 -9 349.92 53.26 8 10 -9 430.65 95.65 8 -10 -9 317.65 49.71 8 -10 -9 326.13 33.12 8 10 -8 1767.08 79.56 8 10 -8 1714.43 108.66 8 -10 -8 1664.83 86.79 8 -10 -8 1672.08 61.38 8 10 -7 1165.96 87.03 8 10 -7 1240.61 98.32 8 -10 -7 1228.96 102.51 8 -10 -7 1117.51 42.63 8 10 -6 1522.27 84.26 8 10 -6 1391.29 101.67 8 -10 -6 1570.43 92.36 8 -10 -6 1392.24 43.17 8 10 -5 769.20 67.28 8 -10 -5 698.30 63.45 8 10 -4 5089.99 124.89 -8 -10 4 5046.14 123.91 8 -10 -4 5518.87 117.04 -8 -10 3 183.96 53.64 8 -10 -3 76.43 39.53 8 10 -2 1440.03 94.59 -8 -10 2 1261.82 73.74 8 -10 -2 1450.35 81.17 8 10 -1 172.03 73.38 -8 -10 1 108.42 53.18 8 -10 -1 45.54 14.95 8 10 0 6782.86 195.96 -8 -10 0 7028.92 196.15 8 -10 0 7098.81 185.57 8 10 1 804.46 225.61 -8 -10 -1 902.51 89.72 8 -10 1 532.88 132.08 8 10 2 6043.08 213.72 -8 -10 -2 6479.99 224.05 8 -10 2 6434.34 212.95 8 10 3 674.04 203.75 -8 -10 -3 915.46 160.54 8 -10 3 554.73 142.52 8 10 4 2144.89 119.49 -8 -10 -4 2162.65 96.75 8 -10 4 2019.27 82.62 8 10 5 25.34 21.37 -8 -10 -5 43.29 41.22 8 10 6 3276.89 131.55 -8 -10 -6 3079.42 126.59 8 -10 6 3131.24 86.50 8 10 7 87.88 53.77 -8 -10 -7 52.96 30.99 8 -10 7 21.03 35.72 8 10 8 3416.18 148.41 -8 -10 -8 3351.84 113.03 8 -10 8 3445.43 91.09 8 10 9 38.40 34.32 -8 -10 -9 17.44 35.29 8 -10 9 45.09 31.36 8 10 10 3243.63 147.58 -8 -10 -10 2989.66 111.64 8 10 11 148.88 81.54 -8 -10 -11 43.81 23.05 8 10 12 934.31 100.16 -8 -10 -12 931.29 76.18 8 10 13 16.88 28.17 -8 -10 -13 35.74 29.25 8 10 14 2814.83 153.83 -8 -10 -14 2662.66 123.36 8 11 -18 1507.15 91.67 8 -11 -18 1464.46 73.67 8 -11 -18 1483.64 80.08 8 11 -17 457.89 66.32 8 -11 -17 322.88 48.41 8 -11 -17 355.07 61.75 8 11 -16 1203.36 83.71 8 -11 -16 1273.23 72.35 8 -11 -16 1211.26 77.75 8 11 -15 434.02 63.87 8 -11 -15 408.54 47.57 8 -11 -15 457.72 56.77 8 11 -14 611.21 70.82 8 -11 -14 558.57 48.17 8 -11 -14 466.66 52.70 8 11 -13 1272.07 97.64 8 -11 -13 1157.23 66.75 8 -11 -13 1089.68 69.28 8 11 -12 1194.67 85.83 8 -11 -12 1222.82 64.96 8 -11 -12 1219.87 83.99 8 11 -11 1198.31 94.45 8 -11 -11 1086.54 55.43 8 -11 -11 1195.89 78.93 8 11 -10 341.81 69.27 8 -11 -10 353.70 63.00 8 11 -9 2035.09 110.69 8 11 -9 2122.44 86.55 8 -11 -9 1956.57 99.67 8 11 -8 1401.22 112.44 8 11 -8 1458.30 89.23 8 -11 -8 1364.24 91.50 8 11 -7 3132.25 142.57 8 11 -7 3066.56 100.11 8 -11 -7 3184.22 114.42 8 11 -6 658.81 177.12 8 11 -6 784.81 75.60 8 -11 -6 670.32 70.92 8 11 -5 1754.33 104.15 8 11 -5 1852.19 82.87 8 -11 -5 1801.02 84.68 8 11 -4 149.73 45.36 -8 -11 4 14.26 24.43 8 -11 -4 24.94 33.42 8 11 -3 1542.45 86.49 -8 -11 3 1481.97 92.99 8 -11 -3 1409.09 117.58 8 11 -2 1820.28 104.75 -8 -11 2 1539.46 92.96 8 -11 -2 1712.50 100.18 8 11 -1 588.99 81.92 -8 -11 1 483.70 72.43 8 -11 -1 382.92 60.90 8 11 0 135.23 49.76 -8 -11 0 30.84 39.87 8 -11 0 90.52 67.98 8 11 1 1915.12 93.00 -8 -11 -1 1949.21 98.41 8 -11 1 2079.60 91.71 8 11 2 145.42 66.05 -8 -11 -2 216.46 82.89 8 -11 2 111.73 38.86 8 11 3 3381.81 145.27 -8 -11 -3 3647.88 121.27 8 -11 3 3765.49 106.28 8 11 4 323.87 102.11 -8 -11 -4 411.65 71.21 8 -11 4 301.64 62.61 8 11 5 2051.14 120.16 -8 -11 -5 2264.38 107.02 8 -11 5 2046.09 83.70 8 11 6 60.33 31.22 -8 -11 -6 58.31 36.48 8 -11 6 59.07 44.74 8 11 7 2033.00 120.28 -8 -11 -7 2010.72 106.75 8 -11 7 1962.05 72.83 8 11 8 348.77 98.41 -8 -11 -8 296.79 76.68 8 -11 8 232.24 43.94 8 11 9 553.24 86.89 -8 -11 -9 521.66 69.94 8 11 10 16.33 37.49 -8 -11 -10 50.07 36.72 8 11 11 1035.83 118.43 -8 -11 -11 1070.24 76.93 8 11 12 859.20 107.35 -8 -11 -12 1029.59 83.41 8 11 13 1321.90 120.79 -8 -11 -13 1415.72 102.80 8 12 -16 195.17 64.54 8 -12 -16 171.65 46.81 8 12 -15 2130.65 104.75 8 -12 -15 2071.24 97.80 8 12 -14 37.56 37.82 8 -12 -14 61.28 37.17 8 12 -13 2462.94 119.63 8 -12 -13 2336.85 105.03 8 12 -12 114.50 77.73 8 -12 -12 63.29 42.00 8 12 -11 2015.50 114.85 8 -12 -11 1971.06 107.12 8 12 -10 839.96 79.53 8 -12 -10 953.77 83.66 8 12 -9 1975.85 119.55 8 -12 -9 1848.54 90.90 8 12 -8 21.95 21.79 8 12 -8 171.84 61.55 8 12 -7 2582.55 126.04 8 12 -7 2528.72 98.35 8 -12 -7 2482.17 101.27 8 12 -6 407.28 92.79 8 12 -6 323.65 67.65 8 -12 -6 232.40 50.48 8 12 -5 428.33 71.23 8 12 -5 524.65 65.00 8 -12 -5 469.94 82.02 8 12 -4 104.81 43.92 -8 -12 4 67.73 40.83 8 -12 -4 25.06 30.61 8 12 -3 551.21 63.16 -8 -12 3 559.65 93.05 8 -12 -3 453.96 51.00 8 12 -2 268.96 46.68 -8 -12 2 181.33 42.23 8 -12 -2 146.61 42.45 8 12 -1 160.42 36.45 -8 -12 1 59.34 42.55 8 -12 -1 121.28 45.06 8 12 0 127.35 40.21 -8 -12 0 237.51 58.10 8 -12 0 187.96 44.34 8 12 1 141.95 70.70 -8 -12 -1 34.21 21.20 8 -12 1 59.94 51.91 8 12 2 159.41 69.75 -8 -12 -2 209.71 46.81 8 -12 2 190.04 51.73 8 12 3 83.82 45.64 -8 -12 -3 69.60 48.10 8 -12 3 152.97 42.48 8 12 4 848.45 74.87 -8 -12 -4 991.70 91.19 8 -12 4 803.17 74.09 8 12 5 43.93 27.53 -8 -12 -5 85.70 71.76 8 -12 5 36.08 24.63 8 12 6 46.91 36.73 -8 -12 -6 216.94 58.18 8 -12 6 193.87 51.66 8 12 7 2081.63 116.37 -8 -12 -7 2054.83 108.40 8 12 8 12.18 25.66 -8 -12 -8 19.05 30.07 8 12 9 754.05 103.00 -8 -12 -9 741.05 88.53 8 12 10 186.01 86.27 -8 -12 -10 417.93 84.87 8 12 11 676.33 97.87 -8 -12 -11 607.89 68.44 8 13 -14 436.89 66.66 8 -13 -14 556.63 69.09 8 13 -13 1100.91 91.02 8 -13 -13 1190.51 84.29 8 13 -12 1073.75 87.06 8 -13 -12 1256.05 96.28 8 13 -11 355.35 74.90 8 -13 -11 278.08 71.47 8 13 -10 608.65 77.38 8 -13 -10 578.97 63.54 8 13 -9 1826.82 114.34 8 -13 -9 1702.54 93.23 8 13 -8 135.57 58.25 8 -13 -8 170.47 53.13 8 13 -7 2069.33 123.81 8 13 -7 2300.01 97.60 8 -13 -7 2210.43 128.41 8 13 -6 713.30 80.66 8 13 -6 822.73 73.79 8 -13 -6 725.84 70.18 8 13 -5 1812.10 111.59 8 13 -5 1840.18 93.92 8 -13 -5 1712.13 111.07 8 13 -4 668.80 78.54 8 13 -4 737.90 72.35 8 -13 -4 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58.09 10 -5 -7 2071.34 254.21 10 5 -6 1585.17 114.86 10 5 -6 1639.99 284.41 10 -5 -6 1738.19 78.06 10 -5 -6 1723.23 52.65 10 5 -5 1747.44 138.39 -10 -5 5 1649.10 98.37 10 -5 -5 1633.81 49.28 10 -5 -5 1731.42 453.69 10 -5 -5 1859.49 51.55 10 5 -4 2209.81 114.76 -10 -5 4 2248.65 99.31 10 -5 -4 2628.57 50.28 10 -5 -4 2351.36 92.27 10 -5 -4 2737.01 50.17 10 5 -3 165.46 105.06 -10 -5 3 39.01 17.29 10 -5 -3 67.62 16.18 10 -5 -3 68.28 33.71 10 -5 -3 107.85 17.11 10 5 -2 163.02 75.00 -10 -5 2 113.81 63.08 10 -5 -2 140.58 21.37 10 -5 -2 116.28 47.79 10 -5 -2 125.53 16.04 10 5 -1 189.97 46.93 -10 -5 1 158.54 49.14 10 -5 -1 72.49 16.31 10 -5 -1 83.28 58.54 10 -5 -1 114.76 15.18 10 5 0 114.67 77.11 -10 -5 0 14.14 17.48 10 -5 0 13.63 11.96 10 -5 0 24.55 24.55 10 -5 0 12.54 6.50 10 5 1 155.77 79.63 -10 -5 -1 32.03 18.93 10 -5 1 31.61 9.05 10 -5 1 25.30 37.44 10 -5 1 81.94 12.15 -10 -5 -2 23.07 25.82 10 -5 2 14.52 14.00 10 -5 2 7.80 13.31 10 -5 2 21.38 23.60 -10 5 -3 1702.37 41.48 10 5 3 1851.39 120.05 10 -5 3 1926.96 34.21 10 -5 3 1849.85 273.09 -10 -5 -3 1873.71 84.79 -10 5 -4 268.45 28.34 10 5 4 175.72 71.50 10 -5 4 255.46 22.48 10 -5 4 244.15 92.86 -10 -5 -4 303.40 48.18 -10 5 -5 630.42 33.93 10 5 5 694.30 108.46 10 -5 5 563.53 27.83 10 -5 5 621.26 176.27 -10 -5 -5 552.91 56.22 -10 5 -6 6.36 8.86 10 5 6 76.33 53.05 -10 -5 -6 38.54 41.34 -10 5 -7 10.25 13.31 10 5 7 43.02 35.45 -10 -5 -7 10.35 18.86 10 -5 7 45.38 50.29 10 5 8 510.14 100.74 -10 5 -8 441.56 47.90 10 -5 8 393.48 108.76 -10 -5 -8 425.55 63.58 -10 5 -9 11.41 12.64 10 5 9 75.61 51.80 -10 -5 -9 54.74 42.09 10 5 10 2069.55 149.97 -10 5 -10 2159.19 57.14 10 -5 10 2304.27 104.31 -10 -5 -10 2243.10 97.95 10 5 11 90.57 47.82 -10 -5 -11 38.07 18.48 10 -5 11 42.88 40.88 10 5 12 892.05 121.64 -10 -5 -12 751.20 74.23 10 -5 12 725.86 93.10 10 5 13 47.57 51.58 -10 -5 -13 50.82 37.00 10 -5 13 53.22 43.28 10 5 14 2386.39 170.55 -10 -5 -14 2274.00 102.22 10 5 15 103.80 40.65 -10 -5 -15 66.41 49.22 10 5 16 986.84 145.53 -10 -5 -16 997.25 79.87 10 5 17 141.55 88.63 -10 -5 -17 26.37 25.30 10 6 -23 1188.93 86.29 10 -6 -23 1157.31 78.70 10 -6 -23 1208.34 72.89 10 6 -22 36.65 24.29 10 -6 -22 17.19 19.24 10 -6 -22 32.89 24.85 10 6 -21 480.69 75.17 10 -6 -21 467.80 57.90 10 -6 -21 484.77 61.19 10 6 -20 151.15 67.37 10 -6 -20 153.38 58.86 10 -6 -20 115.76 29.11 10 6 -19 2057.25 104.76 10 -6 -19 2003.16 84.09 10 -6 -19 2239.12 87.52 10 6 -18 64.21 40.12 10 -6 -18 22.02 21.33 10 -6 -18 41.12 28.49 10 6 -17 1346.55 112.26 10 -6 -17 1511.09 82.64 10 -6 -17 1387.29 67.94 10 6 -16 46.78 54.42 10 -6 -16 18.69 23.01 10 6 -15 1962.61 106.58 10 -6 -15 1970.54 80.10 10 -6 -15 1928.58 82.04 10 6 -14 2510.44 63.73 10 6 -14 2421.00 114.26 10 -6 -14 2505.88 96.18 10 -6 -14 2370.82 98.93 10 6 -13 3371.98 86.61 10 6 -13 3341.07 117.42 10 -6 -13 3442.52 117.06 10 -6 -13 3492.23 107.67 10 6 -12 381.30 75.75 10 6 -12 364.60 84.47 10 -6 -12 408.77 76.44 10 -6 -12 341.76 72.42 10 6 -11 3350.14 100.09 10 6 -11 3446.72 137.96 10 -6 -11 3280.05 94.71 10 -6 -11 3395.65 74.18 10 6 -10 1417.51 116.56 10 6 -10 1516.44 114.70 10 -6 -10 1389.32 69.21 10 -6 -10 1373.35 69.03 10 6 -9 7021.99 232.79 10 6 -9 6762.41 237.16 10 -6 -9 7233.84 216.58 10 -6 -9 6873.80 175.38 10 6 -8 3008.64 154.62 10 6 -8 2746.37 166.71 10 -6 -8 2756.20 112.75 10 -6 -8 2681.50 69.14 10 6 -7 854.68 285.67 -10 6 7 776.70 48.20 10 6 -7 867.30 112.90 10 -6 -7 697.16 146.38 10 -6 -7 867.73 71.85 10 6 -6 2471.53 125.54 10 6 -6 2779.06 112.99 10 -6 -6 2612.35 112.96 10 -6 -6 2665.26 52.71 10 6 -5 1620.09 103.77 -10 -6 5 1599.14 111.60 10 -6 -5 1677.50 92.79 10 6 -4 3861.02 144.90 10 -6 -4 4039.79 77.61 10 -6 -4 3880.42 123.25 -10 -6 4 4081.64 150.20 10 6 -3 6029.67 256.22 -10 -6 3 5908.60 135.47 10 -6 -3 6349.20 206.25 10 -6 -3 5773.83 151.66 10 -6 -3 6482.36 211.07 10 6 -2 2152.48 151.61 10 -6 -2 2046.52 20.26 10 -6 -2 1813.83 89.28 -10 -6 2 2006.69 97.22 10 6 -1 167.11 85.28 -10 -6 1 105.92 57.12 10 -6 -1 49.31 39.96 10 6 0 5042.09 185.97 -10 -6 0 5139.29 155.73 10 -6 0 5077.70 148.71 10 6 1 1392.30 135.29 -10 -6 -1 1370.28 82.79 10 -6 1 1080.58 84.92 10 6 2 9541.06 297.67 -10 -6 -210113.86 269.83 10 -6 210228.78 269.72 10 6 3 2032.32 355.03 -10 -6 -3 2335.65 100.55 10 -6 3 1853.78 109.71 10 6 4 1540.30 108.16 10 -6 4 1708.62 29.25 10 -6 4 1763.73 152.75 -10 -6 -4 1962.94 90.60 -10 6 -5 1884.66 33.56 10 6 5 2184.89 308.43 -10 -6 -5 2026.71 93.56 10 -6 5 2133.62 184.02 -10 6 -6 7532.99 117.43 10 6 6 7417.02 203.62 -10 -6 -6 8019.70 179.24 10 -6 6 7725.95 180.43 -10 6 -7 408.72 43.81 10 6 7 366.28 103.69 -10 -6 -7 436.11 71.98 10 -6 7 267.73 94.85 10 6 8 3872.81 155.73 -10 -6 -8 4089.97 126.68 10 -6 8 3903.82 117.71 10 6 9 1474.61 113.60 -10 -6 -9 1681.57 89.24 10 -6 9 1678.14 104.92 10 6 10 1072.65 114.27 -10 -6 -10 1163.62 81.92 10 -6 10 969.32 84.85 10 6 11 1225.20 113.87 -10 -6 -11 1284.99 74.89 10 -6 11 1376.76 83.20 10 6 12 1215.06 123.04 -10 -6 -12 1286.30 80.20 10 -6 12 1244.04 77.39 10 6 13 100.98 62.22 -10 -6 -13 198.04 51.09 10 6 14 1559.06 157.64 -10 -6 -14 1977.80 115.56 10 6 15 1510.04 148.00 -10 -6 -15 1724.43 96.63 10 6 16 2420.90 152.54 -10 -6 -16 2774.77 127.19 10 7 -22 561.02 77.31 10 -7 -22 549.79 61.78 10 -7 -22 495.65 61.87 10 -7 -21 15.20 27.37 10 -7 -21 10.17 14.71 10 7 -20 223.35 92.32 10 -7 -20 185.82 48.79 10 -7 -20 203.91 37.17 10 7 -19 219.74 49.60 10 -7 -19 219.51 61.80 10 -7 -19 185.28 46.40 10 7 -18 76.95 34.49 10 -7 -18 67.17 41.63 10 -7 -18 81.77 27.63 10 7 -17 419.29 119.09 10 -7 -17 380.07 48.24 10 -7 -17 396.68 44.68 10 7 -16 69.60 50.13 10 -7 -16 35.42 29.26 10 -7 -16 15.06 17.82 10 7 -15 458.52 86.72 10 -7 -15 564.96 71.61 10 -7 -15 485.80 77.05 10 7 -14 326.94 105.35 10 -7 -14 266.91 41.79 10 -7 -14 308.57 75.41 10 7 -13 3908.42 87.96 10 7 -13 4016.27 150.41 10 -7 -13 4163.97 108.29 10 -7 -13 4106.34 93.82 10 7 -12 189.82 55.32 10 7 -12 252.39 94.48 10 -7 -12 310.64 60.67 10 -7 -12 159.52 74.78 10 7 -11 2594.12 98.66 10 7 -11 2758.40 126.35 10 -7 -11 2597.19 134.51 10 -7 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186.74 -10 -7 -2 1125.42 81.53 10 -7 2 629.82 148.57 10 7 311604.71 256.64 -10 -7 -311910.86 238.44 10 -7 312278.32 245.69 10 7 4 461.62 135.00 10 -7 4 153.83 53.87 10 7 5 1299.09 143.27 -10 -7 -5 1219.91 73.57 10 -7 5 1230.67 77.84 10 7 6 67.55 39.55 -10 -7 -6 69.86 40.99 10 -7 6 35.38 22.74 10 7 7 6475.99 246.47 -10 -7 -7 6667.64 227.90 10 -7 7 6830.54 226.60 10 7 8 50.06 47.21 -10 -7 -8 31.59 41.52 10 -7 8 19.98 27.68 10 7 9 5763.95 192.58 -10 -7 -9 5814.37 159.17 10 -7 9 5879.29 143.88 10 7 10 79.65 43.01 -10 -7 -10 309.46 69.28 10 -7 10 156.08 45.87 10 7 11 3270.57 175.51 -10 -7 -11 3695.87 151.56 10 -7 11 3324.10 102.29 10 7 12 205.73 106.01 -10 -7 -12 228.39 50.19 10 7 13 1471.50 137.19 -10 -7 -13 1415.41 83.19 10 7 14 61.60 36.13 -10 -7 -14 53.92 46.79 10 7 15 2660.15 192.77 -10 -7 -15 2424.74 107.35 10 8 -21 656.08 88.05 10 -8 -21 769.29 73.18 10 -8 -21 798.51 74.30 10 8 -20 29.85 34.22 10 -8 -20 21.66 23.93 10 -8 -20 31.27 24.81 10 8 -19 1303.92 88.26 10 -8 -19 1484.20 83.10 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32.97 10 8 -5 187.18 85.20 10 -8 -5 127.75 15.00 10 -8 -5 147.62 43.76 -10 -8 5 97.57 73.95 10 8 -4 539.88 84.16 -10 -8 4 539.85 124.32 10 -8 -4 479.01 67.24 10 8 -3 170.63 62.06 -10 -8 3 197.39 95.77 10 -8 -3 148.31 58.36 10 8 -2 1347.86 93.59 -10 -8 2 1331.36 86.12 10 -8 -2 1414.82 90.85 10 8 -1 2291.27 121.20 -10 -8 1 2014.66 131.90 10 -8 -1 2319.62 105.27 10 8 0 180.86 71.36 -10 -8 0 88.78 41.59 10 8 1 1513.19 118.28 -10 -8 -1 1514.14 85.71 10 -8 1 1510.99 88.21 10 8 2 3031.73 139.98 -10 -8 -2 2897.36 105.39 10 -8 2 2910.01 120.50 10 8 3 337.30 87.75 -10 -8 -3 448.17 84.62 10 -8 3 337.63 75.11 10 8 4 219.98 65.96 -10 -8 -4 196.94 56.69 10 -8 4 189.15 41.79 10 8 5 403.57 78.05 -10 -8 -5 518.05 71.62 10 -8 5 468.87 57.10 10 8 6 544.83 113.54 -10 -8 -6 570.79 73.88 10 -8 6 548.89 65.25 10 8 7 1162.07 108.48 -10 -8 -7 1328.50 84.07 10 -8 7 1117.44 66.91 10 8 8 1954.20 127.52 -10 -8 -8 2222.27 92.76 10 -8 8 2283.45 133.12 10 8 9 861.69 106.23 -10 -8 -9 1013.25 75.99 10 -8 9 894.26 79.98 10 8 10 212.74 56.87 -10 -8 -10 131.13 29.36 10 -8 10 73.50 37.95 10 8 11 184.04 76.87 -10 -8 -11 236.68 57.61 10 8 12 382.45 95.82 -10 -8 -12 315.26 75.88 10 8 13 218.24 73.86 -10 -8 -13 258.75 68.98 10 8 14 1154.27 138.17 -10 -8 -14 1283.34 100.84 10 9 -20 1069.34 90.55 10 -9 -20 1023.31 64.70 10 -9 -20 999.88 75.22 10 9 -19 395.70 76.44 10 -9 -19 333.18 52.84 10 -9 -19 286.38 52.25 10 9 -18 2339.36 114.22 10 -9 -18 2293.31 125.80 10 -9 -18 2180.32 86.27 10 -9 -17 23.56 24.16 10 9 -16 4173.30 171.16 10 -9 -16 4137.30 138.93 10 -9 -16 3833.19 146.85 10 9 -15 1015.73 91.32 10 -9 -15 858.75 183.27 10 -9 -15 961.35 78.13 10 9 -1411571.11 273.06 10 -9 -1412333.20 161.74 10 -9 -1411476.10 247.72 10 9 -13 690.15 92.73 10 -9 -13 585.79 107.29 10 -9 -13 568.40 78.57 10 9 -12 3459.16 137.41 10 -9 -12 3329.10 79.00 10 -9 -12 3342.78 119.96 10 9 -11 92.93 50.29 10 9 -11 50.69 54.06 10 -9 -11 76.59 36.90 10 -9 -11 24.07 25.42 10 9 -10 89.21 48.12 10 9 -10 92.00 50.71 10 -9 -10 79.25 35.39 10 -9 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12 -5 -15 17.12 19.49 12 5 -14 2402.04 75.31 12 5 -14 2464.87 117.42 12 -5 -14 2386.78 94.95 12 -5 -14 2404.28 85.11 12 5 -13 2669.57 83.46 12 5 -13 2610.77 116.15 12 -5 -13 2646.12 85.73 12 -5 -13 2594.64 110.07 12 5 -12 4585.31 139.33 12 5 -12 4663.92 177.24 12 -5 -12 4744.07 146.54 12 -5 -12 4803.07 140.13 12 5 -11 144.20 71.00 12 5 -11 241.06 111.06 12 -5 -11 245.34 63.45 12 -5 -11 173.77 30.34 12 5 -10 1953.68 121.11 12 5 -10 1882.65 117.39 12 -5 -10 1887.03 79.79 12 -5 -10 1963.33 67.17 12 5 -9 2067.81 132.03 12 5 -9 1766.62 114.99 12 -5 -9 1869.86 95.66 12 -5 -9 1835.44 64.46 12 5 -8 3520.37 156.88 12 5 -8 3442.09 317.37 12 -5 -8 3681.97 119.35 12 -5 -8 3551.30 85.24 12 5 -7 279.91 85.77 12 5 -7 98.87 62.84 12 -5 -7 58.15 37.67 12 -5 -7 39.09 40.67 12 5 -6 3659.98 177.61 12 5 -6 3481.49 659.43 12 -5 -6 3597.17 128.36 12 -5 -6 3677.44 98.70 12 5 -5 196.75 109.30 -12 -5 5 81.60 59.62 12 -5 -5 52.13 23.23 12 -5 -5 73.33 43.38 12 -5 -5 105.00 23.77 12 5 -4 255.12 103.46 -12 -5 4 270.95 69.25 12 -5 -4 241.03 31.71 12 -5 -4 237.51 51.21 12 -5 -4 249.81 29.59 12 5 -3 2069.93 151.06 -12 -5 3 2013.54 95.66 12 -5 -3 2077.78 57.97 12 -5 -3 2052.55 106.87 12 -5 -3 2350.35 47.41 12 5 -2 627.61 123.38 -12 -5 2 532.24 143.82 12 -5 -2 531.06 35.49 12 -5 -2 556.79 72.03 12 -5 -2 565.81 26.70 12 5 -1 190.30 72.89 -12 -5 1 111.38 48.87 12 -5 -1 137.51 29.06 12 -5 -1 100.66 69.97 12 -5 -1 143.29 18.85 12 5 0 3275.37 172.41 -12 -5 0 3367.24 112.06 12 -5 0 3257.31 79.30 12 -5 0 3339.57 117.72 12 -5 0 3319.94 44.44 12 5 1 637.88 125.17 12 -5 1 439.26 32.61 12 -5 1 393.63 143.83 -12 -5 -1 583.22 101.16 12 5 2 1042.50 126.27 12 -5 2 679.24 226.50 12 -5 2 1082.87 118.39 -12 -5 -2 976.56 73.35 -12 5 -3 1575.21 47.30 12 5 3 1771.45 154.84 -12 -5 -3 1963.22 86.65 12 -5 3 1649.16 152.15 -12 5 -4 2281.23 52.32 12 5 4 2540.43 177.59 -12 -5 -4 2657.09 100.07 12 -5 4 2296.17 114.04 -12 5 -5 2515.89 55.21 12 5 5 2408.67 192.47 -12 -5 -5 2675.25 100.92 12 -5 5 2363.39 154.77 -12 5 -6 192.97 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4834.50 141.82 12 6 9 1425.93 103.25 -12 -6 -9 1797.83 106.44 12 -6 9 1619.43 113.58 12 6 10 2842.04 217.30 -12 -6 -10 2563.87 103.02 12 -6 10 2772.01 118.23 12 6 11 372.11 115.46 -12 -6 -11 280.39 65.95 12 -6 11 214.32 79.31 12 6 12 297.90 108.93 -12 -6 -12 249.96 58.19 12 -6 12 182.88 89.96 12 6 13 1278.10 137.42 -12 -6 -13 1241.08 94.32 12 6 14 1323.92 155.14 -12 -6 -14 1439.58 95.72 12 7 -22 55.79 38.85 12 -7 -22 42.29 45.47 12 -7 -22 45.41 26.02 12 7 -21 28.68 33.16 12 -7 -21 17.25 25.42 12 7 -20 46.04 54.45 12 -7 -20 21.47 24.84 12 -7 -20 65.86 52.71 12 7 -19 124.76 80.09 12 -7 -19 130.47 42.08 12 -7 -19 116.91 27.77 12 7 -18 127.36 74.70 12 -7 -18 105.63 55.50 12 -7 -18 105.63 34.39 12 7 -17 208.46 88.17 12 -7 -17 148.15 49.13 12 -7 -17 186.83 44.52 12 7 -16 51.78 64.77 12 -7 -16 56.28 22.35 12 -7 -16 43.18 33.19 12 7 -15 574.08 83.61 12 -7 -15 709.90 56.98 12 -7 -15 756.07 65.74 12 -7 -14 82.97 32.80 12 -7 -14 54.76 38.08 12 7 -13 2454.51 86.30 12 7 -13 2481.74 117.55 12 -7 -13 2498.97 105.23 12 -7 -13 2556.59 76.70 12 7 -12 80.16 38.70 12 7 -12 172.89 89.42 12 -7 -12 122.07 47.89 12 -7 -12 91.53 36.09 12 7 -11 862.78 79.50 12 7 -11 713.11 135.52 12 -7 -11 764.06 86.00 12 -7 -11 810.70 52.99 12 7 -10 79.17 40.85 12 7 -10 59.76 37.08 12 -7 -10 16.57 22.85 12 -7 -10 3.11 16.64 12 7 -9 1053.82 116.99 12 7 -9 941.50 114.91 12 -7 -9 1058.18 75.68 12 -7 -9 920.82 66.67 12 7 -8 2228.11 119.41 12 7 -8 2514.13 129.25 12 -7 -8 2392.98 104.18 12 -7 -8 2309.18 68.90 12 7 -7 5564.56 167.36 12 7 -7 5946.96 205.36 12 -7 -7 5868.90 139.16 12 -7 -7 6205.34 135.34 12 7 -6 333.49 90.97 12 7 -6 189.39 96.69 12 -7 -6 72.94 42.95 12 -7 -6 44.11 24.91 12 7 -5 5014.04 215.36 12 -7 -5 5450.26 115.94 12 -7 -5 5108.92 154.13 -12 -7 5 5079.47 175.11 12 7 -4 499.55 113.75 12 -7 -4 274.74 36.43 12 -7 -4 134.23 64.89 -12 -7 4 457.30 91.55 12 7 -311925.89 270.29 -12 -7 312590.46 264.75 12 -7 -312501.54 243.06 -12 -7 2 619.87 90.04 12 7 -111884.19 330.28 -12 -7 112194.72 295.33 12 -7 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12 8 -19 910.93 90.65 12 -8 -19 802.47 68.85 12 -8 -19 904.81 64.72 12 8 -18 861.20 98.84 12 -8 -18 693.43 113.56 12 -8 -18 847.41 69.00 12 8 -17 1421.52 108.56 12 -8 -17 1300.92 87.17 12 -8 -17 1387.35 77.56 12 8 -16 66.54 73.02 12 -8 -16 10.96 22.55 12 -8 -16 44.98 30.43 12 8 -15 4558.15 184.13 12 -8 -15 4919.83 161.51 12 -8 -15 4580.21 158.06 12 8 -14 102.01 58.28 12 -8 -14 63.15 31.01 12 -8 -14 143.11 54.79 12 8 -13 2444.52 125.41 12 -8 -13 2263.96 74.00 12 -8 -13 2277.15 97.70 12 8 -12 826.28 89.05 12 8 -12 740.25 96.64 12 -8 -12 747.28 58.58 12 -8 -12 648.61 62.57 12 8 -11 1916.26 120.64 12 8 -11 1909.73 115.77 12 -8 -11 2144.33 109.36 12 -8 -11 1921.56 57.61 12 8 -10 147.61 67.68 12 8 -10 74.88 71.82 12 -8 -10 10.51 10.32 12 8 -9 2246.05 117.46 12 8 -9 2369.74 266.76 12 -8 -9 2158.01 93.53 12 -8 -9 2306.95 57.41 12 8 -8 2359.61 129.76 12 8 -8 2415.34 143.07 12 -8 -8 2360.07 101.50 12 -8 -8 2307.80 69.58 12 8 -7 178.78 90.56 12 -8 -7 38.21 30.37 12 8 -6 230.28 90.54 12 8 -6 312.99 74.47 12 -8 -6 294.46 59.44 12 8 -5 867.10 111.54 -12 -8 5 690.26 67.52 12 -8 -5 675.22 66.75 12 8 -4 1470.80 123.41 -12 -8 4 1452.02 96.60 12 -8 -4 1415.11 82.42 12 8 -3 709.07 114.14 -12 -8 3 746.05 94.34 12 -8 -3 670.03 64.53 12 8 -2 7135.44 274.05 -12 -8 2 6948.01 241.32 12 -8 -2 6689.55 225.19 12 8 -1 505.34 101.89 -12 -8 1 436.16 90.07 12 -8 -1 197.90 71.07 12 8 0 79.08 44.02 -12 -8 0 32.21 26.89 12 -8 0 68.57 50.89 12 8 1 554.91 117.65 -12 -8 -1 480.26 70.78 12 -8 1 539.38 68.49 12 8 2 1071.82 131.25 -12 -8 -2 924.92 80.90 12 -8 2 900.52 147.51 12 8 3 303.37 72.28 -12 -8 -3 235.43 59.69 12 -8 3 270.77 92.39 12 8 4 1898.30 136.12 -12 -8 -4 1921.64 99.59 12 -8 4 2159.83 98.24 12 8 5 132.54 81.48 -12 -8 -5 90.03 54.49 12 -8 5 26.43 24.04 12 8 6 168.43 69.90 -12 -8 -6 170.52 49.86 12 -8 6 143.48 72.40 12 8 7 435.92 126.31 -12 -8 -7 407.55 104.36 12 -8 7 361.62 60.80 12 8 8 1325.05 144.40 -12 -8 -8 1314.10 91.30 12 -8 8 1122.62 75.80 12 8 9 75.77 70.94 -12 -8 -9 33.07 41.89 12 -8 9 19.57 34.52 12 8 10 668.31 131.40 -12 -8 -10 402.79 61.82 12 -8 10 483.32 61.37 12 8 11 208.85 78.69 -12 -8 -11 180.22 51.05 12 8 12 240.94 96.54 -12 -8 -12 384.42 73.31 12 9 -19 396.23 103.71 12 -9 -19 496.47 56.02 12 -9 -19 384.26 55.67 12 9 -18 1773.06 112.58 12 -9 -18 1723.69 77.85 12 -9 -18 1602.84 95.25 12 9 -17 51.40 44.49 12 -9 -17 4.18 16.39 12 9 -16 1484.15 103.26 12 -9 -16 1619.83 72.85 12 -9 -16 1530.46 87.84 12 -9 -15 64.39 25.57 12 9 -14 5611.21 209.67 12 -9 -14 5823.40 174.54 12 -9 -14 5617.53 196.11 12 9 -13 597.12 92.23 12 -9 -13 316.17 151.45 12 -9 -13 429.50 59.26 12 9 -12 2198.35 124.08 12 -9 -12 2239.59 100.77 12 9 -11 33.11 23.68 12 9 -11 57.86 32.61 12 -9 -11 26.00 35.83 12 9 -10 964.21 129.45 12 9 -10 765.38 92.91 12 -9 -10 796.94 76.25 12 9 -9 45.13 32.48 12 9 -9 59.65 41.39 12 -9 -9 22.57 20.91 12 9 -8 1528.61 129.01 12 9 -8 1354.40 101.33 12 -9 -8 1356.71 133.44 12 9 -7 391.16 104.39 12 9 -7 380.71 131.96 12 -9 -7 262.86 75.18 12 9 -6 72.74 46.44 12 9 -6 404.14 81.15 12 -9 -6 399.02 66.35 12 9 -5 1923.78 140.85 -12 -9 5 1841.05 117.29 12 -9 -5 1867.92 189.57 12 9 -4 582.47 95.16 -12 -9 4 553.60 101.07 12 -9 -4 545.66 67.11 12 9 -3 1514.76 165.19 -12 -9 3 1323.26 100.69 12 -9 -3 1295.20 99.73 12 9 -2 342.37 98.31 -12 -9 2 123.79 65.03 12 -9 -2 321.75 62.89 12 9 -1 1853.48 137.29 -12 -9 1 1582.02 100.66 12 -9 -1 1782.66 94.62 12 9 0 93.08 38.16 -12 -9 0 54.70 38.78 12 -9 0 13.66 21.19 12 9 1 1264.33 148.77 -12 -9 -1 1138.48 91.08 12 -9 1 1086.64 75.00 12 9 2 595.59 109.17 -12 -9 -2 746.31 95.48 12 -9 2 728.32 75.06 12 9 3 56.54 66.72 -12 -9 -3 153.50 68.53 12 -9 3 129.10 48.13 12 9 4 74.57 64.27 -12 -9 -4 48.58 50.19 12 -9 4 50.02 28.77 12 9 5 620.86 111.88 -12 -9 -5 624.93 69.49 12 -9 5 538.57 81.42 12 9 6 65.77 41.03 12 -9 6 46.82 52.58 12 9 7 1033.30 132.98 -12 -9 -7 1108.71 102.55 12 -9 7 1208.05 81.21 12 9 8 120.72 73.68 -12 -9 -8 86.69 76.31 12 -9 8 80.19 40.83 12 9 9 377.19 105.53 -12 -9 -9 523.14 67.94 12 -9 9 539.37 53.93 12 9 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144.81 -15 -1 -9 211.90 41.19 15 -1 9 216.69 111.66 -15 1 -10 1616.18 67.49 15 1 10 1732.93 154.31 -15 -1 -10 1730.86 78.60 15 -1 10 1545.55 156.88 -15 1 -11 9.75 23.89 -15 -1 -11 38.02 43.85 15 -1 11 47.29 41.48 15 1 12 1321.07 180.50 -15 1 -12 1031.49 78.92 15 -1 12 1408.68 147.43 -15 -1 -12 1147.86 68.62 15 2 -23 53.76 44.76 15 -2 -23 18.70 30.15 15 2 -22 503.76 71.13 15 -2 -22 477.34 71.87 15 2 -21 117.66 59.01 15 -2 -21 35.21 37.51 15 -2 -21 109.52 43.31 15 2 -20 755.04 86.73 15 -2 -20 793.37 77.29 15 -2 -20 720.33 59.09 15 2 -19 140.69 55.83 15 -2 -19 61.24 34.03 15 -2 -19 60.59 38.97 15 2 -18 554.69 49.68 15 2 -18 534.72 79.84 15 -2 -18 502.05 63.49 15 -2 -18 591.34 73.15 15 2 -17 3079.02 85.37 15 2 -17 3035.50 138.49 15 -2 -17 3067.09 101.47 15 -2 -17 3237.35 117.05 15 2 -16 1495.14 79.25 15 2 -16 1517.06 104.96 15 -2 -16 1433.91 73.61 15 -2 -16 1296.93 110.40 15 2 -15 52.36 39.42 15 2 -15 30.08 43.77 15 -2 -15 19.18 26.07 15 -2 -15 43.05 46.50 15 2 -14 775.12 70.10 15 2 -14 809.07 94.55 15 -2 -14 882.12 74.77 15 -2 -14 908.46 87.18 15 2 -13 4668.16 142.32 15 2 -13 4503.11 191.89 15 -2 -13 4889.35 133.20 15 -2 -13 4866.91 151.04 15 2 -12 88.50 55.93 15 2 -12 74.69 61.97 15 -2 -12 57.39 79.99 15 -2 -12 51.58 61.07 15 2 -11 4647.03 159.30 15 2 -11 4577.23 144.96 15 -2 -11 4563.44 124.38 15 -2 -11 4669.30 116.16 15 2 -10 222.46 60.47 15 2 -10 343.02 77.04 15 -2 -10 341.53 68.24 15 -2 -10 319.80 71.42 15 2 -9 3766.64 167.46 15 2 -9 3691.80 141.70 15 -2 -9 3696.85 131.69 15 -2 -9 3615.94 121.53 15 2 -8 929.32 103.16 15 2 -8 642.43 88.03 15 -2 -8 608.04 66.21 15 -2 -8 784.54 88.60 15 2 -7 7864.70 226.09 15 2 -7 7938.44 190.01 15 -2 -7 8102.70 221.53 15 -2 -7 8152.46 216.45 15 2 -6 857.54 121.97 15 2 -6 719.99 107.64 15 -2 -6 686.11 130.52 15 -2 -6 613.45 132.82 15 2 -5 3896.68 173.98 15 2 -5 4043.78 160.19 15 -2 -5 3945.20 150.91 15 -2 -5 3707.26 123.07 15 2 -4 328.35 105.42 15 -2 -4 41.30 33.73 15 -2 -4 52.43 51.01 15 2 -3 3926.95 169.27 15 -2 -3 3907.28 120.06 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1 -1 509.60 125.88 21 -1 -1 581.53 223.48 21 1 0 936.88 137.68 21 -1 0 782.12 154.28 21 2 -14 63.20 62.93 21 2 -14 128.66 64.72 21 -2 -14 80.99 43.29 21 -2 -14 52.13 36.24 21 2 -13 487.17 90.14 21 2 -13 358.66 82.56 21 -2 -13 427.72 63.84 21 -2 -13 430.94 75.53 21 2 -12 22.12 58.72 21 2 -12 26.70 37.58 21 -2 -12 25.24 37.73 21 -2 -12 29.69 45.51 21 2 -11 105.28 59.09 21 2 -11 103.77 66.70 21 -2 -11 161.19 56.44 21 -2 -11 154.78 70.05 21 2 -10 268.28 78.46 21 2 -10 206.04 107.83 21 -2 -10 241.20 91.29 21 -2 -10 157.63 97.54 21 2 -9 748.26 94.80 21 2 -9 764.34 111.66 21 -2 -9 670.30 96.87 21 -2 -9 659.02 73.78 21 2 -8 446.36 99.71 21 2 -8 448.81 105.41 21 -2 -8 437.39 80.01 21 -2 -8 397.03 71.89 21 2 -7 1380.51 126.24 21 2 -7 1550.74 155.14 21 -2 -7 1472.39 137.32 21 2 -6 128.00 64.00 21 2 -6 143.98 83.15 21 -2 -6 163.73 70.75 21 2 -5 3138.42 163.56 21 2 -5 2827.97 208.79 21 -2 -5 3012.18 182.65 21 2 -4 455.50 90.68 21 2 -4 364.79 96.74 21 -2 -4 292.90 97.50 21 2 -3 2080.37 137.13 21 2 -3 2287.77 174.97 21 -2 -3 2125.83 141.04 21 2 -2 71.43 46.26 21 2 -2 156.69 118.80 21 -2 -2 207.49 99.07 21 2 -1 738.72 135.58 21 -2 -1 774.15 104.70 21 2 0 76.14 79.80 -21 -2 0 45.86 57.61 21 -2 0 92.36 66.40 21 3 -13 1372.95 127.04 21 3 -13 1465.05 130.89 21 -3 -13 1340.83 105.92 21 3 -12 1575.72 125.27 21 3 -12 1658.81 149.12 21 -3 -12 1718.47 121.60 21 3 -11 1930.59 147.01 21 3 -11 1807.87 143.86 21 -3 -11 1717.62 148.07 21 3 -10 50.23 36.94 21 3 -10 137.73 67.09 21 -3 -10 73.14 62.01 21 3 -9 1991.94 120.99 21 3 -9 2146.94 167.16 21 -3 -9 2208.53 129.20 21 3 -8 180.59 97.45 21 3 -8 198.22 65.38 21 -3 -8 53.83 97.46 21 3 -7 1488.18 110.95 21 3 -7 1607.96 158.52 21 -3 -7 1407.00 141.61 21 3 -6 347.60 97.43 21 3 -6 327.98 94.02 21 -3 -6 338.88 94.08 21 3 -5 1480.52 128.99 21 3 -5 1457.75 137.45 21 -3 -5 1585.30 141.49 21 3 -4 635.70 115.32 21 3 -4 553.76 104.61 21 -3 -4 501.55 91.14 21 3 -3 1133.45 112.18 21 3 -3 1285.23 156.02 21 -3 -3 1134.63 117.23 21 3 -2 114.81 84.27 21 3 -2 146.98 97.91 21 -3 -2 154.00 90.09 21 3 -1 1094.29 166.14 -21 -3 1 931.42 79.74 21 -3 -1 1012.99 138.64 21 4 -12 255.19 90.43 21 4 -12 206.45 72.16 21 -4 -12 350.62 72.28 21 4 -11 67.23 42.20 21 4 -11 86.33 66.07 21 -4 -11 34.11 39.63 21 4 -10 1606.03 125.94 21 4 -10 1624.34 148.81 21 -4 -10 1544.89 118.16 21 4 -9 112.32 70.04 21 4 -9 155.74 76.53 21 -4 -9 32.68 37.54 21 4 -8 1530.31 142.46 21 4 -8 1328.77 153.74 21 -4 -8 1172.31 105.16 21 4 -7 59.99 51.00 21 4 -7 104.00 97.26 21 -4 -7 95.90 73.12 21 4 -6 1367.28 129.93 21 4 -6 1392.90 162.41 21 -4 -6 1442.27 116.88 21 4 -5 383.33 114.31 21 4 -5 412.77 103.08 21 -4 -5 281.08 54.89 21 4 -4 870.80 111.73 21 4 -4 613.31 126.63 21 -4 -4 722.67 92.35 21 4 -3 1035.58 110.37 21 4 -3 1041.27 173.81 21 -4 -3 876.83 108.09 21 5 -9 205.24 69.05 21 5 -9 289.00 86.02 21 -5 -9 191.35 63.10 21 5 -8 30.27 49.26 21 5 -8 66.70 69.26 21 -5 -8 20.28 26.31 21 5 -7 709.30 103.77 21 5 -7 560.92 139.76 21 -5 -7 663.17 99.27 21 5 -6 1329.89 127.90 21 5 -6 1328.43 162.55 21 -5 -6 1258.50 107.84 21 5 -5 86.92 67.83 21 5 -5 192.82 117.24 21 -5 -5 136.96 51.19 22 0 -11 97.30 48.48 22 0 -10 31.98 51.55 22 0 -10 176.68 102.99 22 0 -9 51.11 53.22 22 0 -9 80.38 45.89 22 0 -8 43.32 48.76 22 0 -8 88.18 47.51 22 0 -7 11.88 25.44 22 0 -7 31.40 67.46 22 0 -6 3040.03 165.45 22 0 -6 2985.10 179.80 22 0 -5 178.23 56.69 22 0 -5 186.61 92.27 22 1 -10 1308.21 161.73 22 1 -10 1276.11 125.04 22 -1 -10 1287.72 108.09 22 -1 -10 1431.76 111.91 22 1 -9 71.23 77.15 22 1 -9 112.24 55.69 22 -1 -9 108.17 60.94 22 -1 -9 113.89 61.34 22 1 -8 368.12 102.44 22 1 -8 361.44 90.79 22 -1 -8 470.50 101.68 22 -1 -8 360.50 69.48 22 1 -7 221.46 70.66 22 1 -7 275.42 80.15 22 -1 -7 215.20 71.04 22 1 -6 878.48 94.84 22 1 -6 716.49 165.06 22 -1 -6 631.11 94.46 22 1 -5 841.60 158.98 22 1 -5 709.07 143.42 22 -1 -5 703.13 108.83 22 2 -9 805.58 116.76 22 -2 -9 675.06 98.87 22 2 -8 85.38 72.36 22 2 -8 177.87 52.30 22 -2 -8 159.10 43.12 22 2 -7 343.98 99.71 22 2 -7 282.94 82.98 22 -2 -7 217.03 60.27 ; _shelx_hkl_checksum 60506 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 +X,+Y,+Z 2 -X,1/2+Y,1/2-Z 3 -X,-Y,-Z 4 +X,-1/2-Y,-1/2+Z 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 _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.25364(2) 0.14626(2) 0.49057(2) 0.01212(5) Uani 1 1 d . . . . . O1 O 0.29560(7) 0.14180(9) 0.29804(6) 0.0161(3) Uani 1 1 d . . . . . O2 O 0.17063(8) 0.19767(9) 0.30777(6) 0.0166(3) Uani 1 1 d . . . . . H1 H 0.1830 0.2028 0.3516 0.025 Uiso 1 1 calc R U . . . O3 O 0.12338(7) -0.08908(10) 0.47587(6) 0.0186(3) Uani 1 1 d . . . . . H2 H 0.1047 -0.0594 0.4367 0.028 Uiso 1 1 calc R U . . . C1 C 0.15718(12) 0.27255(15) 0.47473(9) 0.0222(4) Uani 1 1 d . . . . . C2 C 0.23668(12) 0.31971(15) 0.49949(9) 0.0207(4) Uani 1 1 d . . . . . C3 C 0.27686(11) 0.27563(14) 0.56658(9) 0.0180(4) Uani 1 1 d . . . . . C4 C 0.22297(11) 0.19988(14) 0.58294(9) 0.0176(4) Uani 1 1 d . . . . . C5 C 0.14850(11) 0.19777(15) 0.52617(9) 0.0201(4) Uani 1 1 d . . . . . C6 C 0.08853(15) 0.31250(19) 0.41356(10) 0.0380(6) Uani 1 1 d . . . . . H3 H 0.0476 0.2559 0.3975 0.057 Uiso 1 1 calc R U . . . H4 H 0.1104 0.3327 0.3753 0.057 Uiso 1 1 calc R U . . . H5 H 0.0629 0.3749 0.4280 0.057 Uiso 1 1 calc R U . . . C7 C 0.26836(17) 0.40990(16) 0.46602(12) 0.0386(6) Uani 1 1 d . . . . . H6 H 0.2547 0.4780 0.4841 0.058 Uiso 1 1 calc R U . . . H7 H 0.2431 0.4072 0.4151 0.058 Uiso 1 1 calc R U . . . H8 H 0.3280 0.4037 0.4769 0.058 Uiso 1 1 calc R U . . . C8 C 0.35850(13) 0.31125(17) 0.61392(11) 0.0318(5) Uani 1 1 d . . . . . H9 H 0.3963 0.3231 0.5862 0.048 Uiso 1 1 calc R U . . . H10 H 0.3808 0.2560 0.6492 0.048 Uiso 1 1 calc R U . . . H11 H 0.3517 0.3779 0.6373 0.048 Uiso 1 1 calc R U . . . C9 C 0.23835(14) 0.14022(15) 0.65106(10) 0.0276(4) Uani 1 1 d . . . . . H12 H 0.2097 0.0714 0.6424 0.041 Uiso 1 1 calc R U . . . H13 H 0.2180 0.1825 0.6836 0.041 Uiso 1 1 calc R U . . . H14 H 0.2973 0.1280 0.6714 0.041 Uiso 1 1 calc R U . . . C10 C 0.07183(13) 0.13969(17) 0.52573(13) 0.0340(5) Uani 1 1 d . . . . . H15 H 0.0372 0.1302 0.4773 0.051 Uiso 1 1 calc R U . . . H16 H 0.0420 0.1813 0.5517 0.051 Uiso 1 1 calc R U . . . H17 H 0.0861 0.0696 0.5479 0.051 Uiso 1 1 calc R U . . . C11 C 0.25707(10) 0.02602(13) 0.40923(8) 0.0124(3) Uani 1 1 d . . . . . C12 C 0.32838(10) 0.09271(13) 0.42286(8) 0.0130(3) Uani 1 1 d . . . . . C13 C 0.37367(10) 0.08257(13) 0.49495(8) 0.0148(3) Uani 1 1 d . . . . . H18 H 0.4230 0.1191 0.5183 0.018 Uiso 1 1 calc R U . . . C14 C 0.33204(10) 0.00828(13) 0.52573(8) 0.0143(3) Uani 1 1 d . . . . . H19 H 0.3495 -0.0135 0.5734 0.017 Uiso 1 1 calc R U . . . C15 C 0.25968(10) -0.02900(13) 0.47407(8) 0.0125(3) Uani 1 1 d . . . . . C16 C 0.20787(10) 0.00887(13) 0.33345(8) 0.0121(3) Uani 1 1 d . . . . . H20 H 0.2369 -0.0487 0.3155 0.014 Uiso 1 1 calc R U . . . C17 C 0.21324(10) 0.11185(13) 0.29017(8) 0.0132(3) Uani 1 1 d . . . . . C18 C 0.35955(10) 0.13692(13) 0.36501(8) 0.0134(3) Uani 1 1 d . . . . . C19 C 0.11943(10) -0.02740(13) 0.31701(8) 0.0134(3) Uani 1 1 d . . . . . C20 C 0.06012(11) 0.03169(15) 0.33582(9) 0.0182(4) Uani 1 1 d . . . . . H21 H 0.0753 0.0961 0.3616 0.022 Uiso 1 1 calc R U . . . C21 C -0.02085(12) -0.00232(16) 0.31732(9) 0.0239(4) Uani 1 1 d . . . . . H22 H -0.0607 0.0389 0.3302 0.029 Uiso 1 1 calc R U . . . C22 C -0.04364(12) -0.09707(17) 0.27981(9) 0.0256(4) Uani 1 1 d . . . . . H23 H -0.0990 -0.1207 0.2671 0.031 Uiso 1 1 calc R U . . . C23 C 0.01461(12) -0.15601(15) 0.26134(9) 0.0234(4) Uani 1 1 d . . . . . H24 H -0.0005 -0.2210 0.2362 0.028 Uiso 1 1 calc R U . . . C24 C 0.09526(12) -0.12115(14) 0.27912(8) 0.0180(4) Uani 1 1 d . . . . . H25 H 0.1346 -0.1620 0.2652 0.022 Uiso 1 1 calc R U . . . C25 C 0.17758(11) 0.08515(13) 0.21239(8) 0.0142(3) Uani 1 1 d . . . . . C26 C 0.10061(11) 0.11981(14) 0.17313(9) 0.0186(4) Uani 1 1 d . . . . . H26 H 0.0700 0.1664 0.1933 0.022 Uiso 1 1 calc R U . . . C27 C 0.06818(12) 0.08622(15) 0.10397(9) 0.0240(4) Uani 1 1 d . . . . . H27 H 0.0158 0.1111 0.0769 0.029 Uiso 1 1 calc R U . . . C28 C 0.11163(12) 0.01682(15) 0.07431(9) 0.0227(4) Uani 1 1 d . . . . . H28 H 0.0886 -0.0070 0.0274 0.027 Uiso 1 1 calc R U . . . C29 C 0.18857(12) -0.01754(15) 0.11333(9) 0.0227(4) Uani 1 1 d . . . . . H29 H 0.2188 -0.0649 0.0933 0.027 Uiso 1 1 calc R U . . . C30 C 0.22157(11) 0.01738(15) 0.18206(9) 0.0186(4) Uani 1 1 d . . . . . H30 H 0.2748 -0.0054 0.2085 0.022 Uiso 1 1 calc R U . . . C31 C 0.39720(11) 0.24835(14) 0.38099(9) 0.0166(4) Uani 1 1 d . . . . . C32 C 0.35949(13) 0.33686(14) 0.34333(10) 0.0220(4) Uani 1 1 d . . . . . H31 H 0.3079 0.3294 0.3086 0.026 Uiso 1 1 calc R U . . . C33 C 0.39684(14) 0.43642(16) 0.35626(11) 0.0294(5) Uani 1 1 d . . . . . H32 H 0.3710 0.4964 0.3295 0.035 Uiso 1 1 calc R U . . . C34 C 0.47116(15) 0.44951(17) 0.40750(11) 0.0340(5) Uani 1 1 d . . . . . H33 H 0.4959 0.5181 0.4165 0.041 Uiso 1 1 calc R U . . . C35 C 0.50902(14) 0.36150(17) 0.44550(11) 0.0316(5) Uani 1 1 d . . . . . H34 H 0.5598 0.3698 0.4811 0.038 Uiso 1 1 calc R U . . . C36 C 0.47312(12) 0.26132(16) 0.43184(9) 0.0231(4) Uani 1 1 d . . . . . H35 H 0.5003 0.2010 0.4572 0.028 Uiso 1 1 calc R U . . . C37 C 0.42060(10) 0.06003(14) 0.34707(8) 0.0147(3) Uani 1 1 d . . . . . C38 C 0.42625(11) -0.04672(15) 0.36537(10) 0.0213(4) Uani 1 1 d . . . . . H36 H 0.3994 -0.0722 0.3975 0.026 Uiso 1 1 calc R U . . . C39 C 0.47088(12) -0.11742(16) 0.33728(11) 0.0264(4) Uani 1 1 d . . . . . H37 H 0.4734 -0.1909 0.3497 0.032 Uiso 1 1 calc R U . . . C40 C 0.51159(12) -0.08138(16) 0.29151(10) 0.0270(4) Uani 1 1 d . . . . . H38 H 0.5412 -0.1299 0.2717 0.032 Uiso 1 1 calc R U . . . C41 C 0.50876(14) 0.02588(18) 0.27486(11) 0.0344(5) Uani 1 1 d . . . . . H39 H 0.5380 0.0518 0.2446 0.041 Uiso 1 1 calc R U . . . C42 C 0.46342(14) 0.09591(16) 0.30216(10) 0.0281(4) Uani 1 1 d . . . . . H40 H 0.4615 0.1695 0.2901 0.034 Uiso 1 1 calc R U . . . C43 C 0.20583(11) -0.12096(14) 0.48525(8) 0.0144(3) Uani 1 1 d . . . . . C44 C 0.23704(11) -0.16430(13) 0.56097(9) 0.0170(4) Uani 1 1 d . . . . . C45 C 0.19006(13) -0.15277(15) 0.60613(10) 0.0237(4) Uani 1 1 d . . . . . H41 H 0.1385 -0.1177 0.5909 0.028 Uiso 1 1 calc R U . . . C46 C 0.21907(15) -0.19323(17) 0.67478(10) 0.0328(5) Uani 1 1 d . . . . . H42 H 0.1871 -0.1844 0.7059 0.039 Uiso 1 1 calc R U . . . C47 C 0.29273(15) -0.24499(16) 0.69720(10) 0.0319(5) Uani 1 1 d . . . . . H43 H 0.3117 -0.2719 0.7437 0.038 Uiso 1 1 calc R U . . . C48 C 0.33949(13) -0.25818(16) 0.65233(10) 0.0280(4) Uani 1 1 d . . . . . H44 H 0.3906 -0.2944 0.6677 0.034 Uiso 1 1 calc R U . . . C49 C 0.31147(12) -0.21805(15) 0.58417(9) 0.0236(4) Uani 1 1 d . . . . . H45 H 0.3437 -0.2276 0.5533 0.028 Uiso 1 1 calc R U . . . C50 C 0.20686(11) -0.21483(13) 0.43559(8) 0.0154(3) Uani 1 1 d . . . . . C51 C 0.13970(12) -0.28251(14) 0.41423(9) 0.0225(4) Uani 1 1 d . . . . . H46 H 0.0935 -0.2706 0.4303 0.027 Uiso 1 1 calc R U . . . C52 C 0.13938(14) -0.36809(15) 0.36925(10) 0.0275(4) Uani 1 1 d . . . . . H47 H 0.0927 -0.4132 0.3542 0.033 Uiso 1 1 calc R U . . . C53 C 0.20707(15) -0.38689(15) 0.34672(10) 0.0284(5) Uani 1 1 d . . . . . H48 H 0.2069 -0.4449 0.3160 0.034 Uiso 1 1 calc R U . . . C54 C 0.27466(14) -0.32175(15) 0.36874(10) 0.0267(4) Uani 1 1 d . . . . . H49 H 0.3215 -0.3353 0.3537 0.032 Uiso 1 1 calc R U . . . C55 C 0.27454(12) -0.23567(14) 0.41322(9) 0.0206(4) Uani 1 1 d . . . . . H50 H 0.3215 -0.1909 0.4283 0.025 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.01229(8) 0.01450(8) 0.00980(7) -0.00064(5) 0.00365(5) 0.00126(6) O1 0.0113(6) 0.0243(7) 0.0114(6) 0.0033(5) 0.0013(5) -0.0039(5) O2 0.0199(7) 0.0158(6) 0.0134(6) -0.0013(5) 0.0039(5) 0.0029(5) O3 0.0133(6) 0.0240(7) 0.0192(6) 0.0040(5) 0.0058(5) 0.0029(5) C1 0.0254(10) 0.0261(10) 0.0140(8) -0.0028(7) 0.0041(7) 0.0122(8) C2 0.0310(11) 0.0142(8) 0.0210(9) -0.0010(7) 0.0143(8) 0.0063(8) C3 0.0185(9) 0.0168(9) 0.0197(9) -0.0048(7) 0.0073(7) 0.0026(7) C4 0.0216(9) 0.0179(9) 0.0147(8) -0.0018(6) 0.0078(7) 0.0032(7) C5 0.0166(9) 0.0225(9) 0.0236(9) -0.0088(7) 0.0096(7) 0.0023(8) C6 0.0421(14) 0.0421(13) 0.0216(10) -0.0077(9) -0.0029(9) 0.0259(11) C7 0.0642(17) 0.0216(11) 0.0432(13) 0.0053(9) 0.0362(12) 0.0082(11) C8 0.0249(11) 0.0272(11) 0.0391(12) -0.0149(9) 0.0030(9) -0.0006(9) C9 0.0425(13) 0.0261(10) 0.0174(9) 0.0031(7) 0.0140(9) 0.0072(9) C10 0.0219(11) 0.0370(12) 0.0492(13) -0.0162(10) 0.0199(10) -0.0047(9) C11 0.0115(8) 0.0139(8) 0.0127(7) -0.0003(6) 0.0051(6) 0.0020(6) C12 0.0128(8) 0.0139(8) 0.0134(8) -0.0010(6) 0.0053(6) 0.0021(7) C13 0.0113(8) 0.0174(9) 0.0148(8) -0.0018(6) 0.0025(6) 0.0006(7) C14 0.0128(8) 0.0171(8) 0.0122(7) 0.0011(6) 0.0024(6) 0.0039(7) C15 0.0123(8) 0.0131(8) 0.0127(7) -0.0003(6) 0.0046(6) 0.0019(6) C16 0.0121(8) 0.0145(8) 0.0103(7) -0.0005(6) 0.0043(6) 0.0020(7) C17 0.0118(8) 0.0144(8) 0.0136(8) -0.0002(6) 0.0039(6) -0.0001(6) C18 0.0109(8) 0.0164(8) 0.0122(7) -0.0010(6) 0.0025(6) -0.0016(7) C19 0.0129(8) 0.0175(8) 0.0093(7) 0.0032(6) 0.0024(6) -0.0011(7) C20 0.0156(9) 0.0224(9) 0.0166(8) -0.0004(7) 0.0050(7) 0.0006(7) C21 0.0149(9) 0.0341(11) 0.0243(9) 0.0044(8) 0.0082(7) 0.0018(8) C22 0.0155(9) 0.0382(11) 0.0196(9) 0.0054(8) 0.0000(7) -0.0095(9) C23 0.0253(10) 0.0250(10) 0.0156(8) -0.0010(7) -0.0003(7) -0.0106(8) C24 0.0206(9) 0.0196(9) 0.0133(8) 0.0005(6) 0.0043(7) -0.0019(7) C25 0.0160(9) 0.0143(8) 0.0123(8) 0.0018(6) 0.0043(6) -0.0018(7) C26 0.0184(9) 0.0185(9) 0.0180(8) -0.0006(7) 0.0039(7) 0.0037(7) C27 0.0209(10) 0.0261(10) 0.0193(9) 0.0009(7) -0.0030(7) 0.0028(8) C28 0.0303(11) 0.0251(10) 0.0107(8) -0.0017(7) 0.0028(7) -0.0028(8) C29 0.0296(11) 0.0249(10) 0.0156(8) -0.0021(7) 0.0097(8) 0.0030(8) C30 0.0176(9) 0.0250(9) 0.0131(8) 0.0027(7) 0.0046(7) 0.0033(8) C31 0.0186(9) 0.0177(8) 0.0178(8) -0.0037(6) 0.0118(7) -0.0033(7) C32 0.0255(10) 0.0211(10) 0.0236(9) 0.0008(7) 0.0140(8) -0.0005(8) C33 0.0415(13) 0.0172(9) 0.0411(12) 0.0010(8) 0.0301(10) 0.0002(9) C34 0.0471(14) 0.0221(10) 0.0448(13) -0.0152(9) 0.0319(11) -0.0177(10) C35 0.0295(11) 0.0363(12) 0.0318(11) -0.0138(9) 0.0136(9) -0.0147(10) C36 0.0198(10) 0.0271(10) 0.0229(9) -0.0037(7) 0.0071(7) -0.0057(8) C37 0.0120(8) 0.0188(8) 0.0123(7) -0.0039(6) 0.0018(6) -0.0003(7) C38 0.0169(9) 0.0208(9) 0.0280(9) 0.0017(7) 0.0092(7) 0.0020(8) C39 0.0221(10) 0.0211(10) 0.0353(11) -0.0016(8) 0.0074(8) 0.0047(8) C40 0.0235(10) 0.0339(11) 0.0239(9) -0.0089(8) 0.0076(8) 0.0084(9) C41 0.0417(13) 0.0403(13) 0.0310(11) 0.0033(9) 0.0258(10) 0.0094(11) C42 0.0392(13) 0.0239(10) 0.0291(10) 0.0023(8) 0.0221(9) 0.0044(9) C43 0.0132(8) 0.0172(8) 0.0134(8) 0.0021(6) 0.0048(6) 0.0022(7) C44 0.0204(9) 0.0161(9) 0.0138(8) 0.0008(6) 0.0039(7) -0.0035(7) C45 0.0318(11) 0.0227(10) 0.0198(9) 0.0031(7) 0.0128(8) 0.0022(8) C46 0.0537(15) 0.0308(11) 0.0199(10) 0.0030(8) 0.0203(10) -0.0023(11) C47 0.0497(15) 0.0268(11) 0.0150(9) 0.0054(8) 0.0032(9) -0.0054(10) C48 0.0281(11) 0.0277(10) 0.0229(10) 0.0071(8) -0.0005(8) -0.0022(9) C49 0.0224(10) 0.0277(10) 0.0203(9) 0.0056(7) 0.0056(7) -0.0006(8) C50 0.0199(9) 0.0147(8) 0.0108(7) 0.0037(6) 0.0035(6) 0.0007(7) C51 0.0221(10) 0.0208(9) 0.0236(9) 0.0025(7) 0.0055(7) -0.0003(8) C52 0.0343(12) 0.0197(10) 0.0233(10) -0.0011(7) 0.0004(8) -0.0042(9) C53 0.0486(14) 0.0162(9) 0.0203(9) -0.0004(7) 0.0102(9) 0.0037(9) C54 0.0400(13) 0.0192(9) 0.0273(10) 0.0018(8) 0.0199(9) 0.0067(9) C55 0.0254(10) 0.0171(9) 0.0217(9) 0.0024(7) 0.0109(7) 0.0011(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.0000 0.0000 ; International Tables for Crystallography (Vol. C, Table 6.1.1.4) ; O O 0.0106 0.0060 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Ru Ru -1.2594 0.8363 ; International Tables for Crystallography (Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 C14 Ru1 C4 104.63(6) . . C14 Ru1 C3 113.55(6) . . C4 Ru1 C3 38.30(7) . . C14 Ru1 C13 38.07(6) . . C4 Ru1 C13 122.85(6) . . C3 Ru1 C13 105.74(7) . . C14 Ru1 C2 147.22(7) . . C4 Ru1 C2 63.63(6) . . C3 Ru1 C2 37.93(6) . . C13 Ru1 C2 120.14(7) . . C14 Ru1 C5 127.48(7) . . C4 Ru1 C5 38.03(6) . . C3 Ru1 C5 63.59(7) . . C13 Ru1 C5 159.62(6) . . C2 Ru1 C5 63.19(7) . . C14 Ru1 C15 38.02(6) . . C4 Ru1 C15 117.67(6) . . C3 Ru1 C15 146.16(6) . . C13 Ru1 C15 63.92(6) . . C2 Ru1 C15 174.76(7) . . C5 Ru1 C15 114.34(6) . . C14 Ru1 C12 63.02(6) . . C4 Ru1 C12 159.94(7) . . C3 Ru1 C12 129.18(7) . . C13 Ru1 C12 37.73(6) . . C2 Ru1 C12 117.34(6) . . C5 Ru1 C12 161.99(6) . . C15 Ru1 C12 63.40(6) . . C14 Ru1 C11 63.34(6) . . C4 Ru1 C11 153.49(6) . . C3 Ru1 C11 166.76(7) . . C13 Ru1 C11 63.43(6) . . C2 Ru1 C11 139.15(6) . . C5 Ru1 C11 129.13(6) . . C15 Ru1 C11 38.19(6) . . C12 Ru1 C11 37.57(6) . . C14 Ru1 C1 164.96(7) . . C4 Ru1 C1 63.09(6) . . C3 Ru1 C1 63.00(7) . . C13 Ru1 C1 155.46(7) . . C2 Ru1 C1 37.49(7) . . C5 Ru1 C1 37.48(7) . . C15 Ru1 C1 137.76(7) . . C12 Ru1 C1 131.26(6) . . C11 Ru1 C1 123.52(6) . . C17 O1 C18 122.58(12) . . C17 O2 H1 109.5 . . C43 O3 H2 109.5 . . C2 C1 C5 108.25(16) . . C2 C1 C6 125.08(19) . . C5 C1 C6 125.4(2) . . C2 C1 Ru1 70.01(10) . . C5 C1 Ru1 70.52(10) . . C6 C1 Ru1 135.42(13) . . C3 C2 C1 107.94(16) . . C3 C2 C7 125.31(19) . . C1 C2 C7 126.27(18) . . C3 C2 Ru1 69.92(10) . . C1 C2 Ru1 72.50(11) . . C7 C2 Ru1 129.32(13) . . C2 C3 C4 108.13(16) . . C2 C3 C8 125.13(18) . . C4 C3 C8 126.51(17) . . C2 C3 Ru1 72.14(10) . . C4 C3 Ru1 70.74(9) . . C8 C3 Ru1 127.10(13) . . C3 C4 C5 108.22(15) . . C3 C4 C9 125.93(17) . . C5 C4 C9 125.61(18) . . C3 C4 Ru1 70.96(9) . . C5 C4 Ru1 72.70(10) . . C9 C4 Ru1 126.53(13) . . C4 C5 C1 107.45(16) . . C4 C5 C10 125.71(18) . . C1 C5 C10 126.31(18) . . C4 C5 Ru1 69.27(10) . . C1 C5 Ru1 72.01(10) . . C10 C5 Ru1 130.49(13) . . C1 C6 H3 109.5 . . C1 C6 H4 109.5 . . H3 C6 H4 109.5 . . C1 C6 H5 109.5 . . H3 C6 H5 109.5 . . H4 C6 H5 109.5 . . C2 C7 H6 109.5 . . C2 C7 H7 109.5 . . H6 C7 H7 109.5 . . C2 C7 H8 109.5 . . H6 C7 H8 109.5 . . H7 C7 H8 109.5 . . C3 C8 H9 109.5 . . C3 C8 H10 109.5 . . H9 C8 H10 109.5 . . C3 C8 H11 109.5 . . H9 C8 H11 109.5 . . H10 C8 H11 109.5 . . C4 C9 H12 109.5 . . C4 C9 H13 109.5 . . H12 C9 H13 109.5 . . C4 C9 H14 109.5 . . H12 C9 H14 109.5 . . H13 C9 H14 109.5 . . C5 C10 H15 109.5 . . C5 C10 H16 109.5 . . H15 C10 H16 109.5 . . C5 C10 H17 109.5 . . H15 C10 H17 109.5 . . H16 C10 H17 109.5 . . C12 C11 C15 107.90(14) . . C12 C11 C16 117.34(14) . . C15 C11 C16 133.21(15) . . C12 C11 Ru1 71.02(9) . . C15 C11 Ru1 70.72(9) . . C16 C11 Ru1 134.34(11) . . C13 C12 C11 108.33(14) . . C13 C12 C18 126.66(15) . . C11 C12 C18 122.66(14) . . C13 C12 Ru1 69.36(9) . . C11 C12 Ru1 71.41(9) . . C18 C12 Ru1 138.73(12) . . C14 C13 C12 107.86(14) . . C14 C13 Ru1 70.66(10) . . C12 C13 Ru1 72.91(10) . . C14 C13 H18 126.1 . . C12 C13 H18 126.1 . . Ru1 C13 H18 122.1 . . C13 C14 C15 109.72(14) . . C13 C14 Ru1 71.28(10) . . C15 C14 Ru1 73.07(9) . . C13 C14 H19 125.1 . . C15 C14 H19 125.1 . . Ru1 C14 H19 122.1 . . C14 C15 C11 106.17(14) . . C14 C15 C43 124.52(14) . . C11 C15 C43 128.69(14) . . C14 C15 Ru1 68.92(9) . . C11 C15 Ru1 71.09(9) . . C43 C15 Ru1 131.50(11) . . C11 C16 C19 118.64(13) . . C11 C16 C17 109.23(13) . . C19 C16 C17 110.14(13) . . C11 C16 H20 106.0 . . C19 C16 H20 106.0 . . C17 C16 H20 106.0 . . O2 C17 O1 110.03(13) . . O2 C17 C25 110.14(13) . . O1 C17 C25 104.56(13) . . O2 C17 C16 111.74(13) . . O1 C17 C16 112.01(13) . . C25 C17 C16 108.09(13) . . O1 C18 C12 112.30(14) . . O1 C18 C31 107.92(13) . . C12 C18 C31 113.28(14) . . O1 C18 C37 100.77(12) . . C12 C18 C37 111.55(13) . . C31 C18 C37 110.29(14) . . C24 C19 C20 118.22(16) . . C24 C19 C16 119.01(15) . . C20 C19 C16 122.71(15) . . C21 C20 C19 120.85(17) . . C21 C20 H21 119.6 . . C19 C20 H21 119.6 . . C20 C21 C22 119.99(18) . . C20 C21 H22 120.0 . . C22 C21 H22 120.0 . . C23 C22 C21 119.48(18) . . C23 C22 H23 120.3 . . C21 C22 H23 120.3 . . C22 C23 C24 120.41(18) . . C22 C23 H24 119.8 . . C24 C23 H24 119.8 . . C23 C24 C19 121.05(18) . . C23 C24 H25 119.5 . . C19 C24 H25 119.5 . . C26 C25 C30 119.37(15) . . C26 C25 C17 122.07(15) . . C30 C25 C17 118.38(15) . . C25 C26 C27 119.83(17) . . C25 C26 H26 120.1 . . C27 C26 H26 120.1 . . C28 C27 C26 120.61(17) . . C28 C27 H27 119.7 . . C26 C27 H27 119.7 . . C29 C28 C27 119.62(16) . . C29 C28 H28 120.2 . . C27 C28 H28 120.2 . . C28 C29 C30 119.79(17) . . C28 C29 H29 120.1 . . C30 C29 H29 120.1 . . C25 C30 C29 120.76(17) . . C25 C30 H30 119.6 . . C29 C30 H30 119.6 . . C32 C31 C36 118.85(17) . . C32 C31 C18 121.13(16) . . C36 C31 C18 119.93(16) . . C31 C32 C33 120.2(2) . . C31 C32 H31 119.9 . . C33 C32 H31 119.9 . . C34 C33 C32 120.9(2) . . C34 C33 H32 119.5 . . C32 C33 H32 119.5 . . C33 C34 C35 119.21(19) . . C33 C34 H33 120.4 . . C35 C34 H33 120.4 . . C34 C35 C36 120.3(2) . . C34 C35 H34 119.9 . . C36 C35 H34 119.9 . . C35 C36 C31 120.53(19) . . C35 C36 H35 119.7 . . C31 C36 H35 119.7 . . C38 C37 C42 118.33(17) . . C38 C37 C18 122.81(15) . . C42 C37 C18 118.22(15) . . C37 C38 C39 120.75(18) . . C37 C38 H36 119.6 . . C39 C38 H36 119.6 . . C40 C39 C38 120.38(18) . . C40 C39 H37 119.8 . . C38 C39 H37 119.8 . . C41 C40 C39 119.30(18) . . C41 C40 H38 120.3 . . C39 C40 H38 120.3 . . C40 C41 C42 120.22(19) . . C40 C41 H39 119.9 . . C42 C41 H39 119.9 . . C41 C42 C37 120.94(18) . . C41 C42 H40 119.5 . . C37 C42 H40 119.5 . . O3 C43 C15 112.65(14) . . O3 C43 C50 109.28(14) . . C15 C43 C50 110.82(13) . . O3 C43 C44 105.42(13) . . C15 C43 C44 111.11(14) . . C50 C43 C44 107.27(13) . . C45 C44 C49 118.94(17) . . C45 C44 C43 120.35(17) . . C49 C44 C43 120.68(16) . . C44 C45 C46 119.69(19) . . C44 C45 H41 120.2 . . C46 C45 H41 120.2 . . C47 C46 C45 120.8(2) . . C47 C46 H42 119.6 . . C45 C46 H42 119.6 . . C46 C47 C48 119.96(18) . . C46 C47 H43 120.0 . . C48 C47 H43 120.0 . . C47 C48 C49 119.7(2) . . C47 C48 H44 120.1 . . C49 C48 H44 120.1 . . C44 C49 C48 120.84(18) . . C44 C49 H45 119.6 . . C48 C49 H45 119.6 . . C55 C50 C51 118.68(17) . . C55 C50 C43 121.56(16) . . C51 C50 C43 119.73(16) . . C50 C51 C52 120.66(19) . . C50 C51 H46 119.7 . . C52 C51 H46 119.7 . . C53 C52 C51 119.86(19) . . C53 C52 H47 120.1 . . C51 C52 H47 120.1 . . C54 C53 C52 120.01(18) . . C54 C53 H48 120.0 . . C52 C53 H48 120.0 . . C53 C54 C55 120.02(19) . . C53 C54 H49 120.0 . . C55 C54 H49 120.0 . . C50 C55 C54 120.76(18) . . C50 C55 H50 119.6 . . C54 C55 H50 119.6 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Ru1 C14 2.1697(17) . Ru1 C4 2.1717(17) . Ru1 C3 2.1746(17) . Ru1 C13 2.1778(17) . Ru1 C2 2.2037(19) . Ru1 C5 2.2169(18) . Ru1 C15 2.2245(17) . Ru1 C12 2.2245(16) . Ru1 C11 2.2295(16) . Ru1 C1 2.2366(18) . O1 C17 1.419(2) . O1 C18 1.4553(19) . O2 C17 1.400(2) . O2 H1 0.8400 . O3 C43 1.422(2) . O3 H2 0.8400 . C1 C2 1.427(3) . C1 C5 1.431(3) . C1 C6 1.505(3) . C2 C3 1.423(2) . C2 C7 1.494(3) . C3 C4 1.426(3) . C3 C8 1.501(3) . C4 C5 1.431(2) . C4 C9 1.506(2) . C5 C10 1.496(3) . C6 H3 0.9800 . C6 H4 0.9800 . C6 H5 0.9800 . C7 H6 0.9800 . C7 H7 0.9800 . C7 H8 0.9800 . C8 H9 0.9800 . C8 H10 0.9800 . C8 H11 0.9800 . C9 H12 0.9800 . C9 H13 0.9800 . C9 H14 0.9800 . C10 H15 0.9800 . C10 H16 0.9800 . C10 H17 0.9800 . C11 C12 1.434(2) . C11 C15 1.457(2) . C11 C16 1.513(2) . C12 C13 1.424(2) . C12 C18 1.515(2) . C13 C14 1.418(2) . C13 H18 0.9500 . C14 C15 1.432(2) . C14 H19 0.9500 . C15 C43 1.531(2) . C16 C19 1.517(2) . C16 C17 1.570(2) . C16 H20 1.0000 . C17 C25 1.529(2) . C18 C31 1.529(2) . C18 C37 1.538(2) . C19 C24 1.391(2) . C19 C20 1.394(2) . C20 C21 1.388(3) . C20 H21 0.9500 . C21 C22 1.395(3) . C21 H22 0.9500 . C22 C23 1.375(3) . C22 H23 0.9500 . C23 C24 1.387(3) . C23 H24 0.9500 . C24 H25 0.9500 . C25 C26 1.385(2) . C25 C30 1.387(2) . C26 C27 1.393(2) . C26 H26 0.9500 . C27 C28 1.386(3) . C27 H27 0.9500 . C28 C29 1.382(3) . C28 H28 0.9500 . C29 C30 1.391(2) . C29 H29 0.9500 . C30 H30 0.9500 . C31 C32 1.385(3) . C31 C36 1.398(2) . C32 C33 1.388(3) . C32 H31 0.9500 . C33 C34 1.383(3) . C33 H32 0.9500 . C34 C35 1.384(3) . C34 H33 0.9500 . C35 C36 1.386(3) . C35 H34 0.9500 . C36 H35 0.9500 . C37 C38 1.381(2) . C37 C42 1.392(2) . C38 C39 1.391(3) . C38 H36 0.9500 . C39 C40 1.380(3) . C39 H37 0.9500 . C40 C41 1.380(3) . C40 H38 0.9500 . C41 C42 1.385(3) . C41 H39 0.9500 . C42 H40 0.9500 . C43 C50 1.542(2) . C43 C44 1.546(2) . C44 C45 1.384(3) . C44 C49 1.390(3) . C45 C46 1.408(3) . C45 H41 0.9500 . C46 C47 1.367(3) . C46 H42 0.9500 . C47 C48 1.378(3) . C47 H43 0.9500 . C48 C49 1.396(2) . C48 H44 0.9500 . C49 H45 0.9500 . C50 C55 1.384(3) . C50 C51 1.387(3) . C51 C52 1.398(3) . C51 H46 0.9500 . C52 C53 1.381(3) . C52 H47 0.9500 . C53 C54 1.374(3) . C53 H48 0.9500 . C54 C55 1.397(3) . C54 H49 0.9500 . C55 H50 0.9500 . loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 C5 C1 C2 C3 -0.9(2) . . . . C6 C1 C2 C3 166.59(17) . . . . Ru1 C1 C2 C3 -61.29(12) . . . . C5 C1 C2 C7 -173.24(18) . . . . C6 C1 C2 C7 -5.8(3) . . . . Ru1 C1 C2 C7 126.35(19) . . . . C5 C1 C2 Ru1 60.41(12) . . . . C6 C1 C2 Ru1 -132.12(18) . . . . C1 C2 C3 C4 0.99(19) . . . . C7 C2 C3 C4 173.45(17) . . . . Ru1 C2 C3 C4 -61.96(12) . . . . C1 C2 C3 C8 -173.81(17) . . . . C7 C2 C3 C8 -1.4(3) . . . . Ru1 C2 C3 C8 123.25(18) . . . . C1 C2 C3 Ru1 62.95(12) . . . . C7 C2 C3 Ru1 -124.60(19) . . . . C2 C3 C4 C5 -0.73(19) . . . . C8 C3 C4 C5 173.98(17) . . . . Ru1 C3 C4 C5 -63.59(12) . . . . C2 C3 C4 C9 -175.31(17) . . . . C8 C3 C4 C9 -0.6(3) . . . . Ru1 C3 C4 C9 121.84(18) . . . . C2 C3 C4 Ru1 62.86(12) . . . . C8 C3 C4 Ru1 -122.44(18) . . . . C3 C4 C5 C1 0.19(19) . . . . C9 C4 C5 C1 174.79(17) . . . . Ru1 C4 C5 C1 -62.28(12) . . . . C3 C4 C5 C10 -171.87(17) . . . . C9 C4 C5 C10 2.7(3) . . . . Ru1 C4 C5 C10 125.66(18) . . . . C3 C4 C5 Ru1 62.47(12) . . . . C9 C4 C5 Ru1 -122.93(18) . . . . C2 C1 C5 C4 0.4(2) . . . . C6 C1 C5 C4 -167.00(17) . . . . Ru1 C1 C5 C4 60.52(12) . . . . C2 C1 C5 C10 172.42(17) . . . . C6 C1 C5 C10 5.0(3) . . . . Ru1 C1 C5 C10 -127.49(18) . . . . C2 C1 C5 Ru1 -60.09(12) . . . . C6 C1 C5 Ru1 132.48(18) . . . . C15 C11 C12 C13 -1.66(18) . . . . C16 C11 C12 C13 -169.36(14) . . . . Ru1 C11 C12 C13 59.78(11) . . . . C15 C11 C12 C18 161.98(15) . . . . C16 C11 C12 C18 -5.7(2) . . . . Ru1 C11 C12 C18 -136.58(16) . . . . C15 C11 C12 Ru1 -61.44(11) . . . . C16 C11 C12 Ru1 130.86(14) . . . . C11 C12 C13 C14 1.34(18) . . . . C18 C12 C13 C14 -161.47(16) . . . . Ru1 C12 C13 C14 62.41(11) . . . . C11 C12 C13 Ru1 -61.07(11) . . . . C18 C12 C13 Ru1 136.12(17) . . . . C12 C13 C14 C15 -0.51(19) . . . . Ru1 C13 C14 C15 63.37(12) . . . . C12 C13 C14 Ru1 -63.88(11) . . . . C13 C14 C15 C11 -0.51(19) . . . . Ru1 C14 C15 C11 61.74(11) . . . . C13 C14 C15 C43 171.11(15) . . . . Ru1 C14 C15 C43 -126.64(16) . . . . C13 C14 C15 Ru1 -62.25(12) . . . . C12 C11 C15 C14 1.33(18) . . . . C16 C11 C15 C14 166.27(17) . . . . Ru1 C11 C15 C14 -60.31(11) . . . . C12 C11 C15 C43 -169.82(16) . . . . C16 C11 C15 C43 -4.9(3) . . . . Ru1 C11 C15 C43 128.54(17) . . . . C12 C11 C15 Ru1 61.64(11) . . . . C16 C11 C15 Ru1 -133.41(19) . . . . C12 C11 C16 C19 -159.44(15) . . . . C15 C11 C16 C19 36.7(3) . . . . Ru1 C11 C16 C19 -69.8(2) . . . . C12 C11 C16 C17 -32.14(19) . . . . C15 C11 C16 C17 164.01(17) . . . . Ru1 C11 C16 C17 57.48(19) . . . . C18 O1 C17 O2 84.22(17) . . . . C18 O1 C17 C25 -157.52(13) . . . . C18 O1 C17 C16 -40.71(19) . . . . C11 C16 C17 O2 -69.47(17) . . . . C19 C16 C17 O2 62.49(17) . . . . C11 C16 C17 O1 54.51(17) . . . . C19 C16 C17 O1 -173.53(13) . . . . C11 C16 C17 C25 169.18(13) . . . . C19 C16 C17 C25 -58.86(17) . . . . C17 O1 C18 C12 2.3(2) . . . . C17 O1 C18 C31 -123.27(15) . . . . C17 O1 C18 C37 121.10(15) . . . . C13 C12 C18 O1 -176.50(15) . . . . C11 C12 C18 O1 23.0(2) . . . . Ru1 C12 C18 O1 -76.0(2) . . . . C13 C12 C18 C31 -53.9(2) . . . . C11 C12 C18 C31 145.54(16) . . . . Ru1 C12 C18 C31 46.5(2) . . . . C13 C12 C18 C37 71.2(2) . . . . C11 C12 C18 C37 -89.31(19) . . . . Ru1 C12 C18 C37 171.70(13) . . . . C11 C16 C19 C24 -123.07(16) . . . . C17 C16 C19 C24 110.05(16) . . . . C11 C16 C19 C20 59.6(2) . . . . C17 C16 C19 C20 -67.24(19) . . . . C24 C19 C20 C21 0.1(2) . . . . C16 C19 C20 C21 177.43(15) . . . . C19 C20 C21 C22 0.4(3) . . . . C20 C21 C22 C23 -0.1(3) . . . . C21 C22 C23 C24 -0.7(3) . . . . C22 C23 C24 C19 1.3(3) . . . . C20 C19 C24 C23 -0.9(2) . . . . C16 C19 C24 C23 -178.36(15) . . . . O2 C17 C25 C26 -17.8(2) . . . . O1 C17 C25 C26 -135.94(16) . . . . C16 C17 C25 C26 104.57(18) . . . . O2 C17 C25 C30 167.20(15) . . . . O1 C17 C25 C30 49.02(19) . . . . C16 C17 C25 C30 -70.47(19) . . . . C30 C25 C26 C27 0.2(3) . . . . C17 C25 C26 C27 -174.83(16) . . . . C25 C26 C27 C28 1.1(3) . . . . C26 C27 C28 C29 -1.4(3) . . . . C27 C28 C29 C30 0.3(3) . . . . C26 C25 C30 C29 -1.2(3) . . . . C17 C25 C30 C29 173.95(16) . . . . C28 C29 C30 C25 1.0(3) . . . . O1 C18 C31 C32 13.3(2) . . . . C12 C18 C31 C32 -111.65(18) . . . . C37 C18 C31 C32 122.52(17) . . . . O1 C18 C31 C36 -163.24(15) . . . . C12 C18 C31 C36 71.8(2) . . . . C37 C18 C31 C36 -54.0(2) . . . . C36 C31 C32 C33 -0.1(3) . . . . C18 C31 C32 C33 -176.66(16) . . . . C31 C32 C33 C34 -1.2(3) . . . . C32 C33 C34 C35 1.0(3) . . . . C33 C34 C35 C36 0.6(3) . . . . C34 C35 C36 C31 -1.8(3) . . . . C32 C31 C36 C35 1.6(3) . . . . C18 C31 C36 C35 178.21(17) . . . . O1 C18 C37 C38 -100.97(17) . . . . C12 C18 C37 C38 18.4(2) . . . . C31 C18 C37 C38 145.19(16) . . . . O1 C18 C37 C42 69.67(19) . . . . C12 C18 C37 C42 -170.97(16) . . . . C31 C18 C37 C42 -44.2(2) . . . . C42 C37 C38 C39 -2.6(3) . . . . C18 C37 C38 C39 168.00(16) . . . . C37 C38 C39 C40 1.2(3) . . . . C38 C39 C40 C41 1.1(3) . . . . C39 C40 C41 C42 -2.0(3) . . . . C40 C41 C42 C37 0.5(3) . . . . C38 C37 C42 C41 1.8(3) . . . . C18 C37 C42 C41 -169.28(18) . . . . C14 C15 C43 O3 121.18(17) . . . . C11 C15 C43 O3 -69.2(2) . . . . Ru1 C15 C43 O3 29.7(2) . . . . C14 C15 C43 C50 -116.02(17) . . . . C11 C15 C43 C50 53.6(2) . . . . Ru1 C15 C43 C50 152.51(12) . . . . C14 C15 C43 C44 3.1(2) . . . . C11 C15 C43 C44 172.81(16) . . . . Ru1 C15 C43 C44 -88.32(17) . . . . O3 C43 C44 C45 -8.4(2) . . . . C15 C43 C44 C45 113.91(18) . . . . C50 C43 C44 C45 -124.82(18) . . . . O3 C43 C44 C49 169.74(16) . . . . C15 C43 C44 C49 -67.9(2) . . . . C50 C43 C44 C49 53.3(2) . . . . C49 C44 C45 C46 1.4(3) . . . . C43 C44 C45 C46 179.61(17) . . . . C44 C45 C46 C47 -0.8(3) . . . . C45 C46 C47 C48 -0.1(3) . . . . C46 C47 C48 C49 0.3(3) . . . . C45 C44 C49 C48 -1.2(3) . . . . C43 C44 C49 C48 -179.40(17) . . . . C47 C48 C49 C44 0.3(3) . . . . O3 C43 C50 C55 154.90(15) . . . . C15 C43 C50 C55 30.2(2) . . . . C44 C43 C50 C55 -91.28(19) . . . . O3 C43 C50 C51 -27.1(2) . . . . C15 C43 C50 C51 -151.86(15) . . . . C44 C43 C50 C51 86.68(19) . . . . C55 C50 C51 C52 -2.0(3) . . . . C43 C50 C51 C52 -179.98(16) . . . . C50 C51 C52 C53 1.2(3) . . . . C51 C52 C53 C54 0.3(3) . . . . C52 C53 C54 C55 -0.8(3) . . . . C51 C50 C55 C54 1.4(3) . . . . C43 C50 C55 C54 179.38(16) . . . . C53 C54 C55 C50 0.0(3) . . . .