#------------------------------------------------------------------------------ #$Date: 2021-07-20 00:30:04 +0300 (Tue, 20 Jul 2021) $ #$Revision: 267643 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/89/4518906.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_4518906 loop_ _publ_author_name 'Saint-Denis, Tyler G.' 'Lam, Nelson Y. S.' 'Chekshin, Nikita' 'Richardson, Paul F.' 'Chen, Jason S.' 'Elleraas, Jeff' 'Hesp, Kevin D.' 'Schmitt, Daniel C.' 'Lian, Yajing' 'Huh, Chan Woo' 'Yu, Jin-Quan' _publ_section_title ; Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)--H Activation of Thioethers Involving Two Distinct Stereomodels ; _journal_name_full 'ACS Catalysis' _journal_page_first 9738 _journal_page_last 9753 _journal_paper_doi 10.1021/acscatal.1c02808 _journal_year 2021 _chemical_formula_moiety 'C64 H96 O8 Pd4 S4' _chemical_formula_sum 'C64 H96 O8 Pd4 S4' _chemical_formula_weight 1547.24 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2020-07-27 _audit_creation_method ; Olex2 1.2-beta (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _cell_angle_alpha 95.3590(10) _cell_angle_beta 97.3220(10) _cell_angle_gamma 110.0590(10) _cell_formula_units_Z 1 _cell_length_a 10.4226(5) _cell_length_b 10.7688(6) _cell_length_c 16.5741(9) _cell_measurement_reflns_used 9808 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 26.39 _cell_measurement_theta_min 2.23 _cell_volume 1714.30(16) _computing_cell_refinement 'SAINT v8.38A (Bruker, 2017)' _computing_data_collection 'APEX3 v2017.3-0 (Bruker, 2017)' _computing_data_reduction 'SAINT v8.38A (Bruker, 2017)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 100.0 _diffrn_detector 'Bruker APEX-II CCD' _diffrn_detector_area_resol_mean 8.258 _diffrn_detector_type 'CCD Area Detector' _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device 'Kappa Four-Circle Diffractometer' _diffrn_measurement_device_type 'Bruker APEX II Ultra' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator 'Double Bounce Multilayer Mirrors' _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0268 _diffrn_reflns_av_unetI/netI 0.0209 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 32116 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.369 _diffrn_reflns_theta_min 1.252 _diffrn_source 'Micro Focus Rotating Anode' _diffrn_source_type 'Bruker TXS' _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.203 _exptl_absorpt_correction_T_max 0.4910 _exptl_absorpt_correction_T_min 0.4554 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0749 before and 0.0361 after correction. The Ratio of minimum to maximum transmission is 0.9277. The \l/2 correction factor is Not present.' _exptl_crystal_colour red _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.499 _exptl_crystal_description block _exptl_crystal_F_000 792 _exptl_crystal_size_max 0.175 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.1 _refine_diff_density_max 1.248 _refine_diff_density_min -0.591 _refine_diff_density_rms 0.074 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 375 _refine_ls_number_reflns 7001 _refine_ls_number_restraints 18 _refine_ls_restrained_S_all 1.057 _refine_ls_R_factor_all 0.0250 _refine_ls_R_factor_gt 0.0216 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+1.7451P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0541 _refine_ls_wR_factor_ref 0.0567 _reflns_Friedel_coverage 0.000 _reflns_number_gt 6399 _reflns_number_total 7001 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file cs1c02808_si_005.cif _cod_data_source_block yu130 _cod_depositor_comments ; The following automatic conversions were performed: data item '_diffrn_radiation_probe' value 'X-ray' was changed to 'x-ray' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_original_cell_volume 1714.29(16) _cod_database_code 4518906 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.889 _shelx_estimated_absorpt_t_min 0.817 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Uiso/Uaniso restraints and constraints Uanis(C28) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C26) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006 3.a Aromatic/amide H refined with riding coordinates: C6(H6), C8(H8), C10(H10), C20(H20), C22(H22), C24(H24) 3.b Idealised Me refined as rotating group: C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B, H18C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A, H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C) ; _shelx_res_file ; TITL Yu130.res in P-1 yu130.res created by SHELXL-2016/6 at 13:50:14 on 27-Jul-2020 CELL 0.71073 10.4226 10.7688 16.5741 95.359 97.322 110.059 ZERR 1 0.0005 0.0006 0.0009 0.001 0.001 0.001 LATT 1 SFAC C H O Pd S UNIT 64 96 8 4 4 ISOR 0.003 0.006 C28 C27 C26 L.S. 10 PLAN 4 SIZE 0.175 0.12 0.1 TEMP -173.15 BOND $H LIST 4 fmap 2 acta REM REM REM WGHT 0.027200 1.745100 FVAR 0.12293 PD1 4 0.634068 0.453578 0.592255 11.00000 0.01452 0.00886 = 0.01050 -0.00078 -0.00091 0.00421 PD2 4 0.491548 0.305828 0.434890 11.00000 0.01277 0.00928 = 0.00991 -0.00014 -0.00119 0.00379 S1 5 0.473225 0.524037 0.641913 11.00000 0.01494 0.01035 = 0.01057 -0.00011 0.00001 0.00312 S2 5 0.291728 0.339560 0.446081 11.00000 0.01321 0.01085 = 0.01105 0.00019 -0.00082 0.00341 O1 3 0.554322 0.269266 0.630173 11.00000 0.02741 0.01120 = 0.01679 0.00159 0.00098 0.00648 O2 3 0.444346 0.152202 0.505615 11.00000 0.02173 0.01210 = 0.01515 0.00244 0.00033 0.00557 O3 3 0.792490 0.404601 0.552199 11.00000 0.01852 0.01829 = 0.01886 -0.00036 0.00083 0.00923 O4 3 0.682369 0.292444 0.426192 11.00000 0.01683 0.01768 = 0.01708 0.00016 0.00180 0.00825 C1 1 0.481965 0.162979 0.582150 11.00000 0.01777 0.01263 = 0.01951 0.00295 0.00493 0.00858 C2 1 0.437356 0.037042 0.620264 11.00000 0.03581 0.01402 = 0.02453 0.00759 0.00879 0.01052 AFIX 137 H2A 2 0.346046 -0.022934 0.590990 11.00000 -1.50000 H2B 2 0.432128 0.059112 0.678177 11.00000 -1.50000 H2C 2 0.504795 -0.007205 0.616488 11.00000 -1.50000 AFIX 0 C3 1 0.786143 0.339440 0.483149 11.00000 0.01644 0.01133 = 0.01989 0.00577 0.00335 0.00544 C4 1 0.915979 0.317644 0.466915 11.00000 0.01990 0.02643 = 0.02661 0.00253 0.00479 0.01276 AFIX 137 H4A 2 0.967431 0.387309 0.436862 11.00000 -1.50000 H4B 2 0.891430 0.229779 0.433994 11.00000 -1.50000 H4C 2 0.973758 0.321629 0.519301 11.00000 -1.50000 AFIX 0 C5 1 0.562900 0.594319 0.744227 11.00000 0.01559 0.01385 = 0.01111 -0.00013 0.00147 0.00515 C6 1 0.594564 0.510058 0.795209 11.00000 0.02250 0.01222 = 0.01495 0.00228 0.00416 0.00769 AFIX 43 H6 2 0.569982 0.417969 0.775080 11.00000 -1.20000 AFIX 0 C7 1 0.662676 0.560444 0.876266 11.00000 0.02487 0.01990 = 0.01299 0.00573 0.00393 0.01225 C8 1 0.695898 0.696148 0.903155 11.00000 0.02048 0.02004 = 0.01056 -0.00023 0.00026 0.00916 AFIX 43 H8 2 0.742274 0.731584 0.958010 11.00000 -1.20000 AFIX 0 C9 1 0.663744 0.782265 0.852676 11.00000 0.01384 0.01535 = 0.01454 0.00049 0.00189 0.00701 C10 1 0.596803 0.729179 0.772545 11.00000 0.01495 0.01347 = 0.01373 0.00194 0.00175 0.00662 AFIX 43 H10 2 0.574004 0.785344 0.736820 11.00000 -1.20000 AFIX 0 C11 1 0.700469 0.466008 0.931041 11.00000 0.03647 0.02269 = 0.01732 0.00739 0.00394 0.01666 C12 1 0.796455 0.406977 0.891798 11.00000 0.03300 0.02116 = 0.02830 0.00849 0.00309 0.01651 AFIX 137 H12A 2 0.751128 0.361084 0.836200 11.00000 -1.50000 H12B 2 0.816185 0.343135 0.925196 11.00000 -1.50000 H12C 2 0.883375 0.478998 0.888929 11.00000 -1.50000 AFIX 0 C13 1 0.568819 0.351837 0.939367 11.00000 0.04308 0.03836 = 0.04025 0.02649 0.01632 0.02031 AFIX 137 H13A 2 0.507512 0.388387 0.965395 11.00000 -1.50000 H13B 2 0.593386 0.290891 0.973314 11.00000 -1.50000 H13C 2 0.521150 0.303028 0.884731 11.00000 -1.50000 AFIX 0 C14 1 0.776389 0.538790 1.017093 11.00000 0.06994 0.04097 = 0.01941 0.00581 -0.00363 0.03673 AFIX 137 H14A 2 0.861964 0.611069 1.012374 11.00000 -1.50000 H14B 2 0.799065 0.475540 1.049800 11.00000 -1.50000 H14C 2 0.716644 0.576263 1.044085 11.00000 -1.50000 AFIX 0 C15 1 0.706374 0.931215 0.885448 11.00000 0.01653 0.01545 = 0.01619 -0.00317 -0.00145 0.00547 C16 1 0.864684 0.992255 0.909789 11.00000 0.01963 0.02099 = 0.02984 -0.00678 -0.00221 0.00468 AFIX 137 H16A 2 0.895076 0.946160 0.952339 11.00000 -1.50000 H16B 2 0.892606 1.087366 0.931121 11.00000 -1.50000 H16C 2 0.907486 0.982227 0.861455 11.00000 -1.50000 AFIX 0 C17 1 0.638593 0.947405 0.960803 11.00000 0.02732 0.02098 = 0.02172 -0.00438 0.00495 0.00912 AFIX 137 H17A 2 0.537627 0.905463 0.945444 11.00000 -1.50000 H17B 2 0.663626 1.042678 0.980659 11.00000 -1.50000 H17C 2 0.671270 0.904409 1.004398 11.00000 -1.50000 AFIX 0 C18 1 0.662046 1.008226 0.821121 11.00000 0.02677 0.01230 = 0.02409 -0.00005 -0.00125 0.00579 AFIX 137 H18A 2 0.705761 1.000572 0.772865 11.00000 -1.50000 H18B 2 0.690960 1.102581 0.844543 11.00000 -1.50000 H18C 2 0.561020 0.970859 0.804747 11.00000 -1.50000 AFIX 0 C19 1 0.158323 0.231593 0.366081 11.00000 0.01299 0.01282 = 0.01061 -0.00089 0.00140 0.00258 C20 1 0.116970 0.094030 0.365958 11.00000 0.02207 0.01439 = 0.01456 0.00420 0.00127 0.00738 AFIX 43 H20 2 0.168523 0.058873 0.402721 11.00000 -1.20000 AFIX 0 C21 1 -0.000576 0.007777 0.311617 11.00000 0.02361 0.01181 = 0.01588 0.00103 0.00197 0.00108 C22 1 -0.074033 0.064562 0.259922 11.00000 0.01618 0.01716 = 0.01501 -0.00232 -0.00082 0.00013 AFIX 43 H22 2 -0.154385 0.006859 0.223056 11.00000 -1.20000 AFIX 0 C23 1 -0.035094 0.202023 0.259802 11.00000 0.01552 0.01677 = 0.01195 0.00018 0.00132 0.00680 C24 1 0.084732 0.285542 0.312763 11.00000 0.01473 0.01142 = 0.01448 0.00093 0.00226 0.00402 AFIX 43 H24 2 0.116189 0.379366 0.312461 11.00000 -1.20000 AFIX 0 C25 1 -0.051869 -0.143692 0.314661 11.00000 0.03509 0.01135 = 0.02529 0.00341 -0.00392 -0.00099 C26 1 -0.116804 -0.168142 0.392343 11.00000 0.02968 0.02899 = 0.06024 0.02262 0.01940 0.01203 AFIX 137 H26A 2 -0.045363 -0.125435 0.441060 11.00000 -1.50000 H26B 2 -0.156701 -0.264474 0.393697 11.00000 -1.50000 H26C 2 -0.189877 -0.130153 0.391949 11.00000 -1.50000 AFIX 0 C27 1 0.066890 -0.195234 0.318065 11.00000 0.05483 0.01610 = 0.06403 0.00911 0.03652 0.01453 AFIX 137 H27A 2 0.106511 -0.182740 0.267558 11.00000 -1.50000 H27B 2 0.032418 -0.290510 0.323219 11.00000 -1.50000 H27C 2 0.138439 -0.145739 0.365616 11.00000 -1.50000 AFIX 0 C28 1 -0.167845 -0.222571 0.241921 11.00000 0.09198 0.01845 = 0.05687 0.00245 -0.02759 -0.00243 AFIX 137 H28A 2 -0.243819 -0.188394 0.240891 11.00000 -1.50000 H28B 2 -0.202365 -0.317399 0.248194 11.00000 -1.50000 H28C 2 -0.131194 -0.212142 0.190365 11.00000 -1.50000 AFIX 0 C29 1 -0.121853 0.258614 0.202694 11.00000 0.01912 0.02110 = 0.01646 -0.00033 -0.00358 0.00926 C30 1 -0.276746 0.185926 0.202046 11.00000 0.01848 0.03972 = 0.03628 0.00586 -0.00352 0.01254 AFIX 137 H30A 2 -0.330353 0.227686 0.168673 11.00000 -1.50000 H30B 2 -0.295588 0.191739 0.258440 11.00000 -1.50000 H30C 2 -0.303396 0.091846 0.178610 11.00000 -1.50000 AFIX 0 C31 1 -0.089106 0.407998 0.230143 11.00000 0.03388 0.02503 = 0.01966 -0.00015 -0.00679 0.01911 AFIX 137 H31A 2 -0.105645 0.421509 0.286633 11.00000 -1.50000 H31B 2 -0.148964 0.439567 0.193539 11.00000 -1.50000 H31C 2 0.008190 0.458245 0.227772 11.00000 -1.50000 AFIX 0 C32 1 -0.089547 0.237702 0.115818 11.00000 0.03367 0.02594 = 0.01726 0.00112 -0.00267 0.01559 AFIX 137 H32A 2 0.009439 0.284878 0.116256 11.00000 -1.50000 H32B 2 -0.143990 0.272837 0.077925 11.00000 -1.50000 H32C 2 -0.113449 0.142031 0.097763 11.00000 -1.50000 AFIX 0 HKLF 4 REM Yu130.res in P-1 REM R1 = 0.0216 for 6399 Fo > 4sig(Fo) and 0.0250 for all 7001 data REM 375 parameters refined using 18 restraints END WGHT 0.0272 1.7450 REM Highest difference peak 1.248, deepest hole -0.591, 1-sigma level 0.074 Q1 1 0.7016 0.4753 0.5649 11.00000 0.05 1.25 Q2 1 -0.0754 -0.2192 0.2167 11.00000 0.05 1.01 Q3 1 0.4419 0.2914 0.4736 11.00000 0.05 0.78 Q4 1 0.5442 0.3236 0.3914 11.00000 0.05 0.76 ; _shelx_res_checksum 25802 _shelx_hkl_file ; -1 0 0 385.24 11.11 -1 0 0 397.88 11.09 -1 0 0 385.75 11.00 -1 0 0 383.20 11.07 -1 0 0 388.37 11.00 -1 0 0 372.90 10.92 -1 0 0 386.13 11.01 1 0 0 377.80 11.10 1 0 0 392.32 10.98 1 0 0 382.94 11.06 1 0 0 391.64 10.99 1 0 0 390.52 11.05 1 0 0 391.77 11.00 1 0 0 386.11 11.05 -2 0 0 121.77 3.46 -2 0 0 120.74 3.51 -2 0 0 118.45 3.45 -2 0 0 118.36 3.45 -2 0 0 120.11 3.47 -2 0 0 124.23 3.44 2 0 0 125.61 3.46 2 0 0 119.82 3.45 2 0 0 121.41 3.44 2 0 0 119.62 3.45 2 0 0 117.66 3.47 2 0 0 123.22 3.44 2 0 0 120.43 3.44 2 0 0 121.48 3.51 -3 0 0 7.44 0.42 -3 0 0 7.70 0.40 -3 0 0 7.03 0.34 -3 0 0 7.51 0.36 -3 0 0 7.75 0.37 -3 0 0 8.03 0.39 3 0 0 7.66 0.43 3 0 0 6.61 0.38 3 0 0 7.27 0.34 3 0 0 7.32 0.36 3 0 0 7.29 0.35 3 0 0 7.35 0.36 3 0 0 7.14 0.35 3 0 0 7.25 0.35 -4 0 0 0.59 0.17 -4 0 0 0.58 0.15 -4 0 0 0.84 0.17 -4 0 0 0.78 0.16 4 0 0 0.79 0.14 4 0 0 0.87 0.14 4 0 0 0.64 0.12 4 0 0 0.75 0.14 -5 0 0 129.60 3.76 -5 0 0 129.45 3.82 -5 0 0 118.24 3.84 -5 0 0 126.52 3.76 5 0 0 125.98 3.71 5 0 0 128.28 3.71 5 0 0 122.54 3.71 -6 0 0 70.45 2.20 -6 0 0 69.81 2.19 -6 0 0 66.13 2.23 -6 0 0 61.72 2.27 6 0 0 66.71 2.12 6 0 0 67.28 2.13 6 0 0 65.50 2.12 -7 0 0 80.85 2.58 -7 0 0 78.67 2.58 -7 0 0 80.98 2.73 -7 0 0 79.21 2.65 7 0 0 76.25 2.50 7 0 0 80.55 2.51 7 0 0 77.96 2.50 -8 0 0 33.14 1.31 -8 0 0 30.87 1.28 -8 0 0 31.72 1.45 8 0 0 31.93 1.21 8 0 0 33.17 1.25 8 0 0 30.33 1.21 -9 0 0 14.25 0.97 -9 0 0 13.50 0.81 9 0 0 15.32 0.77 9 0 0 14.46 0.78 9 0 0 13.77 0.73 -10 0 0 10.13 0.73 -10 0 0 9.60 0.82 10 0 0 10.66 0.67 10 0 0 10.66 0.71 -11 0 0 1.01 0.34 -11 0 0 1.37 0.48 11 0 0 0.56 0.27 11 0 0 0.81 0.28 -12 0 0 1.33 0.52 12 0 0 1.68 0.39 12 -1 0 0.52 0.32 12 -1 0 0.14 0.24 12 -1 0 0.22 0.27 -12 1 0 -0.23 0.32 11 -1 0 0.14 0.23 11 -1 0 0.12 0.22 11 -1 0 -0.10 0.25 -11 1 0 0.68 0.31 -11 1 0 -0.13 0.29 10 -1 0 7.58 0.58 10 -1 0 7.37 0.58 10 -1 0 7.83 0.59 -10 1 0 6.54 0.69 -10 1 0 7.48 0.65 9 -1 0 11.63 0.68 9 -1 0 12.35 0.70 9 -1 0 12.97 0.71 -9 1 0 11.04 0.83 -9 1 0 13.11 0.78 -9 1 0 11.91 0.80 8 -1 0 12.48 0.65 8 -1 0 12.97 0.67 8 -1 0 12.71 0.68 -8 1 0 12.73 0.76 -8 1 0 12.18 0.71 -8 1 0 13.89 0.79 -8 1 0 11.65 0.77 7 -1 0 135.94 4.05 7 -1 0 130.88 3.97 7 -1 0 128.99 3.99 -7 1 0 132.08 4.11 -7 1 0 134.65 4.06 -7 1 0 132.46 4.11 -7 1 0 134.68 4.18 6 -1 0 103.63 3.14 6 -1 0 104.75 3.12 6 -1 0 102.56 3.17 -6 1 0 103.57 3.22 -6 1 0 103.71 3.15 -6 1 0 104.25 3.24 -6 1 0 96.23 3.25 -6 1 0 108.09 3.20 5 -1 0 0.07 0.10 5 -1 0 0.11 0.12 5 -1 0 0.06 0.11 -5 1 0 0.26 0.15 -5 1 0 0.01 0.13 -5 1 0 0.21 0.15 -5 1 0 0.35 0.14 -5 1 0 0.32 0.17 4 -1 0 5.67 0.32 4 -1 0 5.93 0.35 4 -1 0 5.15 0.31 4 -1 0 5.92 0.34 -4 1 0 5.77 0.36 -4 1 0 5.64 0.36 -4 1 0 5.36 0.32 -4 1 0 5.64 0.37 -4 1 0 5.68 0.34 3 -1 0 3.02 0.23 3 -1 0 3.25 0.25 3 -1 0 2.79 0.24 3 -1 0 3.13 0.24 3 -1 0 2.96 0.22 3 -1 0 3.58 0.23 -3 1 0 3.38 0.26 -3 1 0 3.01 0.27 -3 1 0 3.63 0.25 -3 1 0 3.66 0.23 -3 1 0 3.55 0.26 2 -1 0 1.74 0.17 2 -1 0 1.74 0.15 2 -1 0 1.75 0.17 2 -1 0 1.81 0.16 2 -1 0 1.70 0.18 2 -1 0 2.05 0.16 2 -1 0 1.96 0.16 -2 1 0 1.78 0.19 -2 1 0 1.84 0.16 -2 1 0 1.78 0.17 -2 1 0 2.03 0.18 -2 1 0 1.84 0.17 1 -1 0 339.34 9.43 1 -1 0 344.23 9.66 1 -1 0 351.67 9.64 1 -1 0 340.64 9.72 1 -1 0 342.37 9.53 1 -1 0 329.41 9.68 -1 1 0 334.93 9.64 -1 1 0 331.90 9.69 -1 1 0 326.62 9.71 -1 1 0 334.28 9.62 0 -1 0 292.76 8.50 0 -1 0 311.34 8.62 0 -1 0 301.56 8.49 0 -1 0 276.37 8.31 0 -1 0 304.42 8.45 0 1 0 306.09 8.35 0 1 0 293.94 8.53 0 1 0 291.22 8.68 -1 -1 0 273.43 7.82 -1 -1 0 277.22 7.74 -1 -1 0 281.99 7.91 -1 -1 0 281.65 7.81 -1 -1 0 259.61 7.91 -1 -1 0 280.78 7.77 1 1 0 280.63 7.81 1 1 0 266.73 7.88 1 1 0 276.21 7.78 1 1 0 279.12 8.00 1 1 0 281.74 7.82 1 1 0 278.08 7.76 -2 -1 0 19.56 0.65 -2 -1 0 18.27 0.60 -2 -1 0 17.41 0.58 -2 -1 0 16.74 0.70 -2 -1 0 17.54 0.61 2 1 0 19.05 0.65 2 1 0 19.12 0.61 2 1 0 18.30 0.67 2 1 0 18.34 0.66 2 1 0 18.09 0.71 2 1 0 17.60 0.62 2 1 0 17.68 0.56 2 1 0 18.60 0.58 -3 -1 0 0.50 0.11 -3 -1 0 0.46 0.10 -3 -1 0 0.71 0.14 -3 -1 0 0.41 0.16 3 1 0 0.50 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26.35 1.34 -11 2 0 26.22 1.32 10 -2 0 22.27 1.04 10 -2 0 21.58 1.11 10 -2 0 23.31 1.10 10 -2 0 22.00 1.05 -10 2 0 24.66 1.26 -10 2 0 24.13 1.17 -10 2 0 23.55 1.19 9 -2 0 27.30 1.20 9 -2 0 26.10 1.17 9 -2 0 27.71 1.17 9 -2 0 26.93 1.11 -9 2 0 26.39 1.24 -9 2 0 26.51 1.15 -9 2 0 30.38 1.35 -9 2 0 27.50 1.23 8 -2 0 2.09 0.32 8 -2 0 2.11 0.31 8 -2 0 1.83 0.26 8 -2 0 2.55 0.38 -8 2 0 1.70 0.28 -8 2 0 2.09 0.37 -8 2 0 2.30 0.38 -8 2 0 2.57 0.39 -8 2 0 2.36 0.39 7 -2 0 12.82 0.65 7 -2 0 11.69 0.59 7 -2 0 12.31 0.62 7 -2 0 12.24 0.66 -7 2 0 11.97 0.67 -7 2 0 12.19 0.71 -7 2 0 13.44 0.65 -7 2 0 13.16 0.70 -7 2 0 12.39 0.73 6 -2 0 23.03 0.96 6 -2 0 23.25 0.91 6 -2 0 22.48 0.91 -6 2 0 23.35 1.02 -6 2 0 22.93 0.98 -6 2 0 24.91 0.93 -6 2 0 23.56 0.96 -6 2 0 24.83 0.98 5 -2 0 52.12 1.74 5 -2 0 53.17 1.67 -5 2 0 52.00 1.72 -5 2 0 51.79 1.67 -5 2 0 51.17 1.78 -5 2 0 53.55 1.74 -5 2 0 50.16 1.72 4 -2 0 269.44 7.31 4 -2 0 265.05 7.40 4 -2 0 258.84 7.38 4 -2 0 252.63 7.34 -4 2 0 262.03 7.37 -4 2 0 250.73 7.35 -4 2 0 252.79 7.34 -4 2 0 250.49 7.41 -4 2 0 251.06 7.32 3 -2 0 404.33 11.43 3 -2 0 410.54 11.41 3 -2 0 410.38 11.48 3 -2 0 399.03 11.46 3 -2 0 417.16 11.40 3 -2 0 421.82 11.44 3 -2 0 399.61 11.43 -3 2 0 394.27 11.49 -3 2 0 404.64 11.41 -3 2 0 401.50 11.42 -3 2 0 397.41 11.42 -3 2 0 411.68 11.38 2 -2 0 78.90 2.31 2 -2 0 79.78 2.32 2 -2 0 78.96 2.29 2 -2 0 77.53 2.27 2 -2 0 78.30 2.34 2 -2 0 75.62 2.27 -2 2 0 73.99 2.28 -2 2 0 75.70 2.30 -2 2 0 79.91 2.27 1 -2 0 23.23 0.75 1 -2 0 22.91 0.77 1 -2 0 24.35 0.76 -1 2 0 22.39 0.77 -1 2 0 22.75 0.76 -1 2 0 22.23 0.75 0 -2 0 4.19 0.28 0 -2 0 3.77 0.27 0 -2 0 3.80 0.21 0 -2 0 4.14 0.23 0 -2 0 3.67 0.19 0 2 0 4.39 0.28 0 2 0 3.66 0.26 0 2 0 3.85 0.23 0 2 0 3.84 0.24 -1 -2 0 136.62 3.94 -1 -2 0 135.33 3.98 -1 -2 0 136.34 3.86 -1 -2 0 138.46 3.93 -1 -2 0 132.61 3.77 -1 -2 0 131.20 3.88 1 2 0 135.65 3.98 1 2 0 138.01 3.95 1 2 0 134.59 3.86 1 2 0 136.05 3.90 -2 -2 0 23.25 0.75 -2 -2 0 23.78 0.95 -2 -2 0 24.44 0.79 -2 -2 0 24.15 0.86 2 2 0 24.55 0.81 2 2 0 25.03 0.85 2 2 0 23.80 1.00 2 2 0 26.29 0.89 -3 -2 0 29.30 1.14 -3 -2 0 29.76 0.93 -3 -2 0 29.16 0.96 -3 -2 0 28.03 1.03 3 2 0 29.13 0.98 3 2 0 29.10 0.86 3 2 0 31.20 1.03 3 2 0 30.09 0.92 -4 -2 0 37.33 1.30 -4 -2 0 37.17 1.20 -4 -2 0 37.25 1.44 4 2 0 39.11 1.18 4 2 0 36.70 1.29 4 2 0 37.31 1.13 4 2 0 37.08 1.24 -5 -2 0 169.01 4.91 -5 -2 0 166.09 5.20 -5 -2 0 169.95 5.01 5 2 0 165.58 4.94 5 2 0 168.87 4.82 5 2 0 168.32 5.00 5 2 0 176.77 4.88 -6 -2 0 34.76 1.31 -6 -2 0 34.44 1.21 -6 -2 0 32.61 1.45 6 2 0 34.20 1.28 6 2 0 35.01 1.12 6 2 0 34.18 1.23 -7 -2 0 -0.27 0.22 -7 -2 0 0.02 0.15 -7 -2 0 -0.33 0.13 7 2 0 0.03 0.10 7 2 0 0.06 0.17 7 2 0 -0.02 0.15 -8 -2 0 20.31 1.02 -8 -2 0 23.01 1.25 -8 -2 0 23.79 1.04 8 2 0 23.27 1.07 8 2 0 22.40 0.98 -9 -2 0 0.73 0.27 -9 -2 0 0.34 0.33 9 2 0 0.62 0.27 9 2 0 0.52 0.27 -10 -2 0 23.02 1.18 -10 -2 0 23.52 1.40 10 2 0 23.33 1.18 -11 -2 0 32.89 1.79 11 2 0 34.03 1.57 12 -3 0 23.60 1.18 12 -3 0 24.63 1.15 12 -3 0 23.44 1.23 -12 3 0 23.21 1.28 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2.07 -3 3 0 68.05 2.05 -3 3 0 66.72 2.03 2 -3 0 45.34 1.44 2 -3 0 47.47 1.46 2 -3 0 45.02 1.49 2 -3 0 44.37 1.48 2 -3 0 45.52 1.47 -2 3 0 47.06 1.46 -2 3 0 44.58 1.43 -2 3 0 45.11 1.48 -2 3 0 48.38 1.46 1 -3 0 78.63 2.36 1 -3 0 81.12 2.40 1 -3 0 77.48 2.40 1 -3 0 79.41 2.38 1 -3 0 78.97 2.36 -1 3 0 79.71 2.40 -1 3 0 79.29 2.37 -1 3 0 80.31 2.40 0 -3 0 15.86 0.61 0 -3 0 15.76 0.67 0 -3 0 16.25 0.69 0 -3 0 15.92 0.62 0 -3 0 16.30 0.57 0 3 0 16.26 0.62 0 3 0 15.39 0.67 0 3 0 15.95 0.64 0 3 0 16.45 0.68 -1 -3 0 6.41 0.40 -1 -3 0 6.23 0.24 -1 -3 0 6.65 0.32 -1 -3 0 6.75 0.42 -1 -3 0 6.43 0.41 1 3 0 6.32 0.33 1 3 0 6.52 0.36 -2 -3 0 1.70 0.24 -2 -3 0 1.50 0.24 -2 -3 0 1.75 0.18 -2 -3 0 1.78 0.28 -2 -3 0 1.46 0.13 2 3 0 1.65 0.19 2 3 0 1.65 0.23 -3 -3 0 20.51 0.99 -3 -3 0 22.80 0.89 -3 -3 0 21.72 0.74 3 3 0 22.82 0.82 3 3 0 22.81 0.89 -4 -3 0 57.92 2.06 -4 -3 0 56.43 1.89 -4 -3 0 58.21 1.73 4 3 0 56.98 1.81 4 3 0 55.70 1.89 -5 -3 0 129.14 3.66 -5 -3 0 123.16 3.82 -5 -3 0 118.67 4.00 5 3 0 122.69 3.82 5 3 0 128.35 3.63 5 3 0 125.18 3.74 -6 -3 0 67.45 2.04 -6 -3 0 64.82 2.19 -6 -3 0 62.18 2.40 6 3 0 64.11 2.20 6 3 0 64.45 2.11 -7 -3 0 0.64 0.23 -7 -3 0 0.44 0.30 -7 -3 0 0.40 0.21 7 3 0 0.25 0.20 7 3 0 0.64 0.21 -8 -3 0 10.91 0.88 -8 -3 0 11.26 0.72 8 3 0 10.77 0.75 8 3 0 10.54 0.64 -9 -3 0 2.09 0.38 -9 -3 0 2.30 0.57 9 3 0 1.27 0.30 -10 -3 0 1.85 0.55 -10 -3 0 0.75 0.32 10 3 0 0.85 0.36 12 -4 0 0.73 0.33 12 -4 0 1.22 0.37 12 -4 0 0.25 0.27 -12 4 0 0.52 0.29 -12 4 0 1.72 0.43 11 -4 0 43.43 1.67 11 -4 0 43.67 1.78 11 -4 0 44.81 1.78 11 -4 0 43.30 1.83 -11 4 0 44.54 1.77 -11 4 0 43.41 1.90 -11 4 0 46.78 1.87 10 -4 0 83.44 2.76 10 -4 0 85.85 2.88 10 -4 0 86.23 2.98 10 -4 0 85.11 2.87 -10 4 0 87.27 2.94 -10 4 0 85.82 3.01 -10 4 0 82.59 2.85 9 -4 0 23.56 1.19 9 -4 0 25.38 1.13 9 -4 0 27.83 1.18 -9 4 0 25.61 1.17 -9 4 0 26.58 1.22 -9 4 0 25.34 1.12 8 -4 0 3.71 0.43 8 -4 0 4.90 0.46 8 -4 0 4.38 0.43 -8 4 0 4.36 0.42 -8 4 0 5.41 0.48 7 -4 0 8.95 0.60 7 -4 0 8.37 0.54 -7 4 0 7.92 0.51 -7 4 0 8.01 0.54 6 -4 0 42.85 1.60 6 -4 0 47.31 1.52 -6 4 0 42.10 1.51 -6 4 0 40.61 1.52 5 -4 0 7.76 0.46 5 -4 0 7.23 0.49 -5 4 0 7.76 0.47 -5 4 0 7.69 0.47 4 -4 0 1.90 0.28 4 -4 0 1.70 0.22 4 -4 0 1.78 0.26 -4 4 0 2.55 0.28 -4 4 0 1.94 0.27 3 -4 0 30.67 1.16 3 -4 0 30.52 1.13 3 -4 0 31.40 1.11 -3 4 0 32.09 1.08 -3 4 0 31.47 1.13 -3 4 0 31.24 1.09 -3 4 0 30.20 1.09 2 -4 0 19.01 0.75 2 -4 0 18.35 0.77 -2 4 0 19.31 0.78 -2 4 0 19.25 0.75 -2 4 0 20.21 0.75 -2 4 0 19.46 0.83 1 -4 0 15.29 0.67 1 -4 0 15.79 0.62 1 -4 0 15.98 0.69 -1 4 0 14.86 0.64 -1 4 0 15.78 0.67 0 -4 0 123.29 3.50 0 -4 0 115.19 3.69 0 -4 0 120.24 3.67 0 -4 0 126.64 3.67 0 4 0 125.52 3.61 0 4 0 115.64 3.57 -1 -4 0 205.40 5.85 -1 -4 0 203.04 5.84 -1 -4 0 199.00 5.89 -1 -4 0 197.00 5.60 1 4 0 198.16 5.73 1 4 0 190.33 5.77 -2 -4 0 134.97 4.18 -2 -4 0 137.09 3.87 -2 -4 0 138.60 4.09 -2 -4 0 139.64 4.12 2 4 0 130.91 4.04 2 4 0 130.44 3.98 -3 -4 0 2.27 0.31 -3 -4 0 2.12 0.37 -3 -4 0 2.43 0.18 3 4 0 2.30 0.30 3 4 0 2.07 0.24 -4 -4 0 29.06 1.17 -4 -4 0 30.73 1.32 -4 -4 0 30.04 0.96 4 4 0 29.40 1.08 4 4 0 27.80 1.15 -5 -4 0 1.60 0.29 -5 -4 0 2.23 0.22 -5 -4 0 2.01 0.40 5 4 0 1.82 0.30 5 4 0 2.50 0.29 -6 -4 0 5.26 0.48 -6 -4 0 4.63 0.58 6 4 0 4.80 0.50 6 4 0 5.58 0.42 -7 -4 0 6.64 0.70 -7 -4 0 5.73 0.55 7 4 0 5.51 0.54 7 4 0 7.35 0.49 -8 -4 0 26.71 1.25 -8 -4 0 25.17 1.46 8 4 0 27.58 1.14 8 4 0 26.84 1.28 -9 -4 0 28.10 1.34 -9 -4 0 28.47 1.59 9 4 0 28.36 1.39 -10 -4 0 21.71 1.31 -10 -4 0 27.15 1.61 10 4 0 24.41 1.32 12 -5 0 8.32 0.75 12 -5 0 7.96 0.77 12 -5 0 8.88 0.67 -12 5 0 9.28 0.76 -12 5 0 9.23 0.80 11 -5 0 -0.06 0.21 11 -5 0 0.09 0.32 11 -5 0 0.14 0.25 11 -5 0 0.57 0.32 -11 5 0 0.34 0.28 -11 5 0 -0.06 0.23 10 -5 0 -0.53 0.27 10 -5 0 0.27 0.23 10 -5 0 0.30 0.23 -10 5 0 0.34 0.25 -10 5 0 0.22 0.23 9 -5 0 0.45 0.24 9 -5 0 0.01 0.22 9 -5 0 0.27 0.23 -9 5 0 0.28 0.22 -9 5 0 -0.03 0.17 8 -5 0 1.43 0.34 8 -5 0 2.51 0.37 -8 5 0 1.45 0.29 -8 5 0 1.43 0.29 7 -5 0 21.36 0.95 7 -5 0 21.69 1.05 -7 5 0 22.11 0.98 -7 5 0 22.13 0.97 6 -5 0 29.11 1.27 6 -5 0 31.79 1.20 -6 5 0 33.64 1.23 -6 5 0 30.40 1.21 5 -5 0 162.54 4.92 5 -5 0 158.92 5.00 -5 5 0 176.10 4.94 -5 5 0 164.37 4.95 4 -5 0 130.29 3.85 4 -5 0 122.21 3.89 -4 5 0 122.07 3.87 -4 5 0 133.70 3.84 3 -5 0 0.58 0.19 3 -5 0 0.36 0.17 -3 5 0 0.56 0.18 -3 5 0 0.66 0.16 -3 5 0 0.52 0.20 2 -5 0 0.40 0.17 2 -5 0 0.87 0.22 2 -5 0 0.45 0.16 -2 5 0 0.45 0.16 -2 5 0 0.55 0.17 1 -5 0 51.09 1.69 1 -5 0 47.54 1.67 1 -5 0 49.15 1.57 -1 5 0 47.03 1.65 -1 5 0 46.35 1.62 0 -5 0 71.90 2.32 0 -5 0 67.51 2.12 0 -5 0 70.14 2.33 0 5 0 70.61 2.26 0 5 0 72.19 2.24 -1 -5 0 308.94 9.14 -1 -5 0 322.32 8.80 -1 -5 0 316.27 9.09 -1 -5 0 302.68 9.08 1 5 0 312.31 8.97 1 5 0 316.87 9.03 -2 -5 0 203.82 6.02 -2 -5 0 194.26 5.90 -2 -5 0 201.18 5.94 -2 -5 0 196.51 5.64 2 5 0 194.98 5.78 2 5 0 199.08 5.87 -3 -5 0 92.32 3.01 -3 -5 0 95.40 2.73 -3 -5 0 93.05 3.16 3 5 0 90.86 2.89 3 5 0 95.95 3.01 -4 -5 0 7.26 0.34 -4 -5 0 7.23 0.64 -4 -5 0 7.57 0.55 4 5 0 8.43 0.49 4 5 0 8.18 0.55 -5 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110.40 3.41 -4 6 0 111.52 3.44 3 -6 0 0.03 0.14 3 -6 0 -0.24 0.15 -3 6 0 -0.03 0.14 -3 6 0 0.06 0.14 -3 6 0 -0.07 0.14 2 -6 0 20.39 0.84 2 -6 0 19.85 0.91 2 -6 0 19.40 0.88 -2 6 0 19.44 0.85 -2 6 0 20.09 0.90 1 -6 0 0.04 0.18 1 -6 0 0.18 0.18 1 -6 0 0.16 0.13 -1 6 0 -0.04 0.13 -1 6 0 0.09 0.13 0 -6 0 27.03 1.14 0 -6 0 24.57 0.90 0 -6 0 24.34 1.09 0 6 0 25.10 1.04 0 6 0 24.65 1.00 0 6 0 25.87 1.08 -1 -6 0 105.18 3.36 -1 -6 0 102.65 3.35 -1 -6 0 103.92 3.03 -1 -6 0 99.41 3.38 1 6 0 106.90 3.23 1 6 0 106.41 3.30 -2 -6 0 141.26 4.12 -2 -6 0 144.98 4.43 -2 -6 0 141.61 4.52 -2 -6 0 144.64 4.46 2 6 0 141.41 4.38 2 6 0 139.72 4.29 -3 -6 0 20.57 1.13 -3 -6 0 22.32 1.05 -3 -6 0 21.98 0.76 3 6 0 21.02 0.92 3 6 0 21.59 1.02 -4 -6 0 32.43 1.41 -4 -6 0 36.63 1.61 4 6 0 35.09 1.44 4 6 0 34.32 1.31 -5 -6 0 3.06 0.46 -5 -6 0 2.62 0.55 5 6 0 2.35 0.38 5 6 0 3.27 0.37 -6 -6 0 0.00 0.32 -6 -6 0 -0.20 0.21 6 6 0 0.37 0.21 6 6 0 -0.06 0.24 -7 -6 0 1.28 0.48 -7 -6 0 1.12 0.33 7 6 0 1.47 0.40 -8 -6 0 4.42 0.58 -8 -6 0 2.35 0.53 8 6 0 3.79 0.57 12 -7 0 0.72 0.35 12 -7 0 0.43 0.33 -12 7 0 0.15 0.28 -12 7 0 0.05 0.24 11 -7 0 2.00 0.41 11 -7 0 1.23 0.40 -11 7 0 0.99 0.34 -11 7 0 0.80 0.31 10 -7 0 12.83 0.85 10 -7 0 12.65 0.95 -10 7 0 14.05 0.89 -10 7 0 14.12 0.86 9 -7 0 20.25 1.01 9 -7 0 16.92 1.05 -9 7 0 20.13 1.03 -9 7 0 18.42 1.00 8 -7 0 27.86 1.20 8 -7 0 27.09 1.31 -8 7 0 26.51 1.20 -8 7 0 26.52 1.21 7 -7 0 16.15 0.84 7 -7 0 15.29 0.89 -7 7 0 14.34 0.82 -7 7 0 13.40 0.77 6 -7 0 3.41 0.42 6 -7 0 2.23 0.37 -6 7 0 3.52 0.41 -6 7 0 2.99 0.40 5 -7 0 20.26 0.99 5 -7 0 20.78 0.97 -5 7 0 20.71 0.94 -5 7 0 18.97 0.96 4 -7 0 5.42 0.49 4 -7 0 5.17 0.49 -4 7 0 6.32 0.51 -4 7 0 5.63 0.48 -4 7 0 5.68 0.45 3 -7 0 30.72 1.34 3 -7 0 34.19 1.32 3 -7 0 34.64 1.32 -3 7 0 33.82 1.29 -3 7 0 33.76 1.32 -3 7 0 34.38 1.37 2 -7 0 115.85 3.63 2 -7 0 117.15 3.51 2 -7 0 112.12 3.60 -2 7 0 110.42 3.61 -2 7 0 112.09 3.55 1 -7 0 72.91 2.45 1 -7 0 71.87 2.26 1 -7 0 70.80 2.44 -1 7 0 70.76 2.38 -1 7 0 67.24 2.41 0 -7 0 47.66 1.85 0 -7 0 45.29 1.80 0 -7 0 50.62 1.58 0 7 0 47.67 1.80 0 7 0 49.71 1.73 0 7 0 47.61 1.76 -1 -7 0 11.26 0.72 -1 -7 0 10.74 0.74 -1 -7 0 10.97 0.76 -1 -7 0 10.55 0.46 1 7 0 11.27 0.67 1 7 0 10.96 0.64 -2 -7 0 0.10 0.22 -2 -7 0 0.22 0.11 -2 -7 0 0.19 0.22 -2 -7 0 0.39 0.25 2 7 0 0.19 0.16 2 7 0 0.53 0.23 -3 -7 0 3.05 0.50 -3 -7 0 3.46 0.48 3 7 0 2.69 0.36 3 7 0 2.06 0.36 -4 -7 0 2.25 0.41 -4 -7 0 2.46 0.52 4 7 0 1.89 0.40 4 7 0 2.19 0.35 -5 -7 0 21.90 1.14 -5 -7 0 23.60 1.34 5 7 0 22.74 1.16 5 7 0 21.21 1.02 -6 -7 0 60.38 2.56 -6 -7 0 58.82 2.25 6 7 0 59.53 2.33 -7 -7 0 28.97 1.42 -7 -7 0 31.04 1.74 7 7 0 30.57 1.52 12 -8 0 0.09 0.27 12 -8 0 0.04 0.32 -12 8 0 0.38 0.31 -12 8 0 0.13 0.30 11 -8 0 0.48 0.33 -11 8 0 0.68 0.29 -11 8 0 1.15 0.35 10 -8 0 45.94 2.01 10 -8 0 46.77 1.84 -10 8 0 46.46 1.86 -10 8 0 42.82 1.81 9 -8 0 131.69 4.39 9 -8 0 130.08 4.21 -9 8 0 129.67 4.20 -9 8 0 132.91 4.24 8 -8 0 89.35 3.17 8 -8 0 84.30 3.00 -8 8 0 95.01 3.10 -8 8 0 91.41 3.03 7 -8 0 78.25 2.80 7 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0.24 -4 -8 0 0.48 0.37 4 8 0 0.12 0.25 4 8 0 -0.23 0.16 -5 -8 0 10.61 1.02 -5 -8 0 10.74 0.83 5 8 0 11.99 0.90 -6 -8 0 34.82 1.90 -6 -8 0 34.42 1.61 6 8 0 36.27 1.69 12 -9 0 0.57 0.39 -12 9 0 0.74 0.40 -12 9 0 0.20 0.31 11 -9 0 0.23 0.36 -11 9 0 0.18 0.30 -11 9 0 -0.12 0.24 10 -9 0 4.32 0.65 -10 9 0 3.56 0.55 -10 9 0 4.33 0.59 9 -9 0 51.77 2.20 9 -9 0 54.34 2.08 -9 9 0 50.08 2.05 -9 9 0 53.97 2.05 8 -9 0 68.91 2.63 8 -9 0 67.56 2.52 -8 9 0 74.53 2.52 -8 9 0 67.47 2.54 7 -9 0 21.01 1.17 7 -9 0 21.77 1.13 -7 9 0 21.90 1.14 -7 9 0 21.04 1.06 6 -9 0 40.73 1.70 6 -9 0 40.51 1.68 -6 9 0 40.74 1.63 -6 9 0 39.70 1.68 5 -9 0 8.26 0.63 5 -9 0 8.76 0.71 5 -9 0 9.34 0.70 -5 9 0 8.94 0.67 -5 9 0 7.77 0.65 -5 9 0 8.20 0.62 4 -9 0 8.20 0.63 4 -9 0 7.42 0.62 4 -9 0 9.38 0.72 -4 9 0 8.39 0.62 -4 9 0 7.78 0.67 -4 9 0 8.02 0.64 3 -9 0 9.85 0.78 3 -9 0 10.62 0.74 3 -9 0 10.44 0.67 -3 9 0 10.27 0.70 -3 9 0 10.38 0.75 -3 9 0 10.81 0.75 2 -9 0 0.54 0.22 2 -9 0 0.49 0.28 2 -9 0 0.68 0.32 -2 9 0 0.41 0.24 -2 9 0 0.50 0.24 1 -9 0 5.04 0.62 1 -9 0 4.85 0.42 1 -9 0 5.79 0.62 -1 9 0 5.63 0.53 -1 9 0 6.45 0.60 0 -9 0 19.60 1.10 0 -9 0 19.23 1.11 0 -9 0 19.74 1.02 0 -9 0 19.05 1.11 0 9 0 18.18 1.05 0 9 0 18.81 1.02 -1 -9 0 0.43 0.31 -1 -9 0 0.27 0.29 -1 -9 0 0.00 0.21 1 9 0 0.43 0.27 1 9 0 0.07 0.20 1 9 0 -0.10 0.19 -2 -9 0 48.30 2.01 -2 -9 0 45.21 1.95 -2 -9 0 50.06 2.11 2 9 0 49.82 1.97 2 9 0 46.06 1.82 -3 -9 0 46.29 1.98 -3 -9 0 49.24 2.15 3 9 0 47.56 1.84 3 9 0 47.74 1.99 -4 -9 0 19.07 1.30 -4 -9 0 19.04 1.14 4 9 0 18.22 1.14 -5 -9 0 -0.44 0.28 -5 -9 0 0.12 0.30 5 9 0 0.49 0.34 11 -10 0 33.62 1.73 -11 10 0 33.25 1.68 -11 10 0 31.61 1.57 10 -10 0 10.12 0.89 -10 10 0 10.67 0.86 -10 10 0 10.21 0.78 9 -10 0 1.71 0.45 9 -10 0 1.09 0.36 -9 10 0 1.58 0.42 -9 10 0 1.27 0.35 8 -10 0 0.23 0.31 8 -10 0 0.21 0.28 -8 10 0 0.76 0.32 -8 10 0 0.34 0.25 7 -10 0 7.73 0.70 7 -10 0 7.51 0.74 -7 10 0 7.81 0.67 -7 10 0 7.00 0.69 6 -10 0 0.11 0.29 6 -10 0 0.42 0.29 6 -10 0 0.39 0.26 -6 10 0 0.18 0.23 -6 10 0 0.23 0.24 5 -10 0 30.80 1.42 5 -10 0 32.48 1.38 5 -10 0 30.03 1.44 -5 10 0 30.02 1.38 -5 10 0 29.26 1.34 -5 10 0 32.06 1.47 4 -10 0 74.33 2.57 4 -10 0 70.06 2.56 4 -10 0 72.08 2.65 -4 10 0 70.80 2.54 -4 10 0 71.33 2.66 -4 10 0 73.37 2.61 3 -10 0 58.61 2.23 3 -10 0 56.27 2.16 3 -10 0 56.72 2.06 -3 10 0 53.71 2.11 -3 10 0 55.50 2.15 -3 10 0 57.18 2.22 2 -10 0 5.13 0.63 2 -10 0 5.79 0.52 2 -10 0 6.20 0.69 -2 10 0 4.63 0.59 -2 10 0 7.12 0.61 1 -10 0 6.99 0.72 1 -10 0 5.75 0.71 -1 10 0 6.63 0.61 -1 10 0 6.79 0.67 0 -10 0 -0.14 0.26 0 -10 0 0.74 0.36 0 -10 0 0.06 0.30 0 10 0 -0.14 0.20 0 10 0 0.01 0.23 -1 -10 0 2.65 0.53 -1 -10 0 3.28 0.59 -1 -10 0 3.28 0.55 1 10 0 2.65 0.47 1 10 0 2.08 0.41 -2 -10 0 50.32 2.14 -2 -10 0 53.28 2.29 2 10 0 51.28 1.98 2 10 0 48.83 2.12 2 10 0 51.46 2.11 -3 -10 0 51.42 2.34 -3 -10 0 53.91 2.22 3 10 0 52.80 2.21 -4 -10 0 44.43 1.97 -4 -10 0 45.96 2.16 4 10 0 41.24 1.96 10 -11 0 14.22 1.10 -10 11 0 14.87 1.03 9 -11 0 4.87 1.01 9 -11 0 4.38 0.68 -9 11 0 6.21 0.70 -9 11 0 4.03 0.59 8 -11 0 1.00 0.40 8 -11 0 0.95 0.41 -8 11 0 1.79 0.43 -8 11 0 1.47 0.38 7 -11 0 5.96 0.71 7 -11 0 5.63 0.64 -7 11 0 5.55 0.61 -7 11 0 5.35 0.66 6 -11 0 1.19 0.38 6 -11 0 1.57 0.42 -6 11 0 0.52 0.32 -6 11 0 0.99 0.37 5 -11 0 11.45 0.83 5 -11 0 11.96 0.91 -5 11 0 11.20 0.83 -5 11 0 11.58 0.89 -5 11 0 10.81 0.84 4 -11 0 89.30 3.07 4 -11 0 90.50 3.12 4 -11 0 86.75 3.19 -4 11 0 87.76 3.09 -4 11 0 89.70 3.15 -4 11 0 88.28 3.21 3 -11 0 77.75 2.66 3 -11 0 74.55 2.84 3 -11 0 74.81 2.79 -3 11 0 77.21 2.77 -3 11 0 74.75 2.79 -3 11 0 77.96 2.87 2 -11 0 1.07 0.42 2 -11 0 1.98 0.47 -2 11 0 2.29 0.45 -2 11 0 1.59 0.43 1 -11 0 2.42 0.51 1 -11 0 2.63 0.57 1 -11 0 2.63 0.50 -1 11 0 2.97 0.52 -1 11 0 2.29 0.46 0 -11 0 0.48 0.35 0 -11 0 0.63 0.38 0 -11 0 1.40 0.44 0 11 0 1.27 0.39 0 11 0 1.13 0.33 -1 -11 0 0.90 0.45 -1 -11 0 1.68 0.44 -1 -11 0 0.96 0.44 1 11 0 0.81 0.37 1 11 0 1.07 0.39 -2 -11 0 12.46 1.02 -2 -11 0 15.86 1.18 2 11 0 13.96 1.02 2 11 0 14.68 1.07 -3 -11 0 21.41 1.30 -3 -11 0 20.79 1.44 3 11 0 19.43 1.26 3 11 0 19.31 1.27 9 -12 0 0.02 0.38 -9 12 0 0.19 0.33 8 -12 0 15.41 1.14 8 -12 0 17.88 1.15 -8 12 0 16.93 1.11 -8 12 0 14.77 1.19 7 -12 0 26.95 1.47 7 -12 0 27.39 1.49 -7 12 0 30.76 1.54 -7 12 0 27.46 1.39 6 -12 0 21.48 1.32 6 -12 0 22.18 1.26 -6 12 0 22.10 1.22 -6 12 0 24.17 1.35 5 -12 0 0.20 0.35 5 -12 0 -0.12 0.24 -5 12 0 0.07 0.26 -5 12 0 -0.36 0.27 -5 12 0 0.16 0.29 4 -12 0 6.79 0.66 4 -12 0 7.73 0.83 -4 12 0 7.16 0.78 -4 12 0 8.38 0.80 -4 12 0 8.87 0.78 3 -12 0 13.20 1.05 3 -12 0 14.53 1.17 -3 12 0 11.64 0.92 -3 12 0 14.91 1.02 -3 12 0 16.48 1.09 2 -12 0 -0.14 0.33 2 -12 0 0.21 0.33 -2 12 0 0.03 0.29 -2 12 0 -0.27 0.23 1 -12 0 9.80 0.96 1 -12 0 11.71 0.97 1 -12 0 10.29 0.97 -1 12 0 12.99 0.95 -1 12 0 12.25 0.97 0 -12 0 12.84 1.11 0 -12 0 14.50 1.14 0 -12 0 13.12 1.08 0 12 0 15.00 1.03 0 12 0 13.18 1.06 -1 -12 0 29.58 1.69 -1 -12 0 27.58 1.57 1 12 0 27.88 1.56 1 12 0 29.52 1.55 7 -13 0 74.36 2.91 7 -13 0 73.14 2.89 -7 13 0 74.68 2.94 6 -13 0 63.12 2.66 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60.14 2.55 7 2 -18 0.71 0.35 7 2 -18 0.03 0.26 6 2 -18 1.07 0.39 6 2 -18 1.35 0.38 5 2 -18 6.97 0.71 5 2 -18 6.99 0.70 5 2 -18 5.60 0.60 -5 -2 18 7.72 0.85 4 2 -18 8.61 0.75 4 2 -18 8.38 0.78 4 2 -18 9.10 0.71 3 2 -18 1.53 0.37 3 2 -18 2.22 0.47 3 2 -18 2.34 0.45 2 2 -18 29.91 1.46 2 2 -18 28.58 1.39 2 2 -18 28.83 1.33 1 2 -18 15.90 1.02 1 2 -18 16.13 0.90 1 2 -18 15.53 0.98 -1 -2 18 14.69 0.96 0 2 -18 0.11 0.26 0 2 -18 -0.07 0.23 0 -2 18 0.10 0.27 -1 2 -18 16.36 1.06 -1 2 -18 16.17 1.01 -1 2 -18 16.96 1.02 1 -2 18 16.74 1.08 -2 2 -18 18.83 1.16 -2 2 -18 16.92 1.08 2 -2 18 18.74 1.18 -3 2 -18 6.11 0.75 -3 2 -18 8.39 0.79 3 -2 18 7.74 0.84 -4 2 -18 2.83 0.59 -4 2 -18 4.27 0.67 4 -2 18 2.43 0.55 7 1 -18 8.56 0.75 7 1 -18 10.74 0.87 7 1 -18 11.33 0.89 -7 -1 18 10.02 0.81 6 1 -18 31.51 1.56 6 1 -18 33.72 1.58 6 1 -18 32.07 1.49 -6 -1 18 31.66 1.47 5 1 -18 58.62 2.29 5 1 -18 54.83 2.17 5 1 -18 57.99 2.24 4 1 -18 36.51 1.70 4 1 -18 38.40 1.66 4 1 -18 42.04 1.73 3 1 -18 5.94 0.62 3 1 -18 5.25 0.57 3 1 -18 6.27 0.69 2 1 -18 14.47 0.95 2 1 -18 15.75 0.87 2 1 -18 14.16 0.96 1 1 -18 10.89 0.83 1 1 -18 9.49 0.77 -1 -1 18 10.11 0.79 0 1 -18 17.38 1.00 0 1 -18 17.44 1.06 0 1 -18 17.06 1.06 0 -1 18 16.53 1.04 -1 1 -18 17.99 1.05 -1 1 -18 18.48 1.09 -1 1 -18 21.14 1.21 1 -1 18 18.31 1.14 -2 1 -18 42.32 1.88 -2 1 -18 47.13 2.02 2 -1 18 44.89 1.96 -3 1 -18 11.15 0.93 -3 1 -18 14.78 1.05 3 -1 18 14.98 1.06 -4 1 -18 1.46 0.43 -4 1 -18 3.19 0.60 4 -1 18 2.30 0.54 7 0 -18 -0.31 0.24 7 0 -18 -0.05 0.31 7 0 -18 -0.37 0.22 7 0 -18 -0.03 0.30 -7 0 18 0.39 0.28 6 0 -18 15.42 0.98 6 0 -18 16.53 1.02 6 0 -18 16.30 1.05 -6 0 18 12.84 0.92 5 0 -18 33.47 1.52 5 0 -18 32.11 1.47 5 0 -18 33.31 1.59 -5 0 18 31.97 1.50 4 0 -18 38.15 1.68 4 0 -18 41.02 1.75 4 0 -18 35.03 1.57 -4 0 18 38.58 1.62 3 0 -18 1.67 0.45 3 0 -18 2.72 0.42 3 0 -18 3.03 0.50 2 0 -18 20.40 1.15 2 0 -18 21.38 1.18 1 0 -18 5.01 0.60 1 0 -18 3.85 0.57 -1 0 18 4.13 0.66 0 0 -18 1.04 0.34 0 0 -18 1.07 0.40 0 0 -18 1.45 0.47 0 0 18 1.42 0.45 -1 0 -18 8.27 0.75 -1 0 -18 8.34 0.76 -1 0 -18 8.90 0.76 1 0 18 8.28 0.80 -2 0 -18 8.53 0.79 -2 0 -18 8.39 0.83 2 0 18 8.78 0.85 -3 0 -18 3.85 0.62 -3 0 -18 2.64 0.54 3 0 18 2.99 0.58 -4 0 -18 1.02 0.40 -4 0 -18 1.23 0.40 4 0 18 0.91 0.41 7 -1 -18 5.88 0.59 7 -1 -18 6.13 0.73 7 -1 -18 6.43 0.72 7 -1 -18 6.21 0.73 -7 1 18 5.38 0.69 6 -1 -18 0.18 0.28 6 -1 -18 0.26 0.31 6 -1 -18 0.43 0.34 -6 1 18 0.41 0.31 5 -1 -18 10.95 0.82 5 -1 -18 12.07 0.91 5 -1 -18 12.48 0.93 -5 1 18 12.98 0.91 4 -1 -18 0.73 0.27 4 -1 -18 0.48 0.32 4 -1 -18 0.52 0.33 -4 1 18 1.31 0.36 3 -1 -18 3.18 0.52 3 -1 -18 2.97 0.50 -3 1 18 2.57 0.46 2 -1 -18 14.00 0.92 2 -1 -18 13.57 0.95 -2 1 18 12.93 0.87 1 -1 -18 50.25 2.10 1 -1 -18 49.88 2.04 0 -1 -18 50.21 2.05 0 -1 -18 43.68 1.93 0 -1 -18 47.56 1.88 0 1 18 46.19 1.91 -1 -1 -18 24.72 1.30 -1 -1 -18 27.83 1.42 -1 -1 -18 22.77 1.24 1 1 18 24.45 1.32 -2 -1 -18 4.04 0.60 -2 -1 -18 3.64 0.55 -2 -1 -18 4.56 0.63 2 1 18 3.50 0.57 -3 -1 -18 0.35 0.33 -3 -1 -18 0.50 0.32 3 1 18 0.23 0.39 7 -2 -18 26.20 1.40 7 -2 -18 26.66 1.46 7 -2 -18 25.09 1.33 7 -2 -18 26.60 1.21 -7 2 18 26.01 1.42 6 -2 -18 3.51 0.57 6 -2 -18 3.28 0.57 6 -2 -18 2.30 0.45 -6 2 18 3.68 0.58 5 -2 -18 0.51 0.32 5 -2 -18 0.64 0.29 5 -2 -18 0.30 0.31 -5 2 18 0.31 0.29 4 -2 -18 2.82 0.53 4 -2 -18 3.91 0.58 -4 2 18 3.56 0.56 3 -2 -18 10.01 0.82 3 -2 -18 10.23 0.85 -3 2 18 8.91 0.81 2 -2 -18 30.99 1.50 2 -2 -18 31.16 1.54 -2 2 18 31.31 1.48 1 -2 -18 79.40 2.93 1 -2 -18 76.31 2.83 -1 2 18 75.46 2.80 0 -2 -18 68.27 2.58 0 -2 -18 69.62 2.69 0 -2 -18 66.92 2.50 0 2 18 68.72 2.54 -1 -2 -18 48.25 2.02 -1 -2 -18 49.45 2.04 -1 -2 -18 47.16 2.10 1 2 18 53.27 2.07 -2 -2 -18 7.53 0.77 -2 -2 -18 9.60 0.78 -2 -2 -18 10.45 0.89 2 2 18 9.95 0.88 7 -3 -18 11.59 0.98 7 -3 -18 8.68 0.86 7 -3 -18 9.32 0.80 -7 3 18 8.66 0.91 6 -3 -18 0.15 0.29 6 -3 -18 0.06 0.34 6 -3 -18 0.13 0.35 -6 3 18 0.10 0.34 5 -3 -18 0.66 0.39 5 -3 -18 0.22 0.34 -5 3 18 0.46 0.35 4 -3 -18 1.14 0.37 4 -3 -18 2.20 0.48 -4 3 18 1.96 0.46 3 -3 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0.46 -5 -3 19 2.06 0.57 4 3 -19 27.42 1.40 4 3 -19 24.32 1.34 3 3 -19 34.95 1.61 3 3 -19 31.23 1.53 3 3 -19 37.25 1.67 2 3 -19 27.82 1.46 2 3 -19 29.59 1.45 2 3 -19 28.88 1.41 1 3 -19 10.14 0.77 1 3 -19 9.48 0.81 1 3 -19 10.95 0.86 -1 -3 19 11.48 0.93 0 3 -19 1.73 0.41 0 3 -19 1.60 0.41 0 -3 19 1.10 0.46 -1 3 -19 0.31 0.31 1 -3 19 0.77 0.39 -2 3 -19 -0.19 0.30 2 -3 19 0.18 0.36 -3 3 -19 14.39 1.08 -3 3 -19 12.21 1.02 3 -3 19 12.07 1.04 5 2 -19 10.70 0.89 5 2 -19 10.29 0.88 4 2 -19 0.99 0.37 4 2 -19 0.71 0.32 4 2 -19 1.70 0.43 3 2 -19 4.69 0.61 3 2 -19 3.13 0.56 3 2 -19 4.80 0.59 2 2 -19 5.71 0.65 2 2 -19 7.18 0.65 2 2 -19 5.90 0.66 1 2 -19 0.37 0.28 1 2 -19 0.56 0.30 0 2 -19 25.89 1.37 0 2 -19 25.35 1.37 0 -2 19 25.85 1.36 -1 2 -19 35.59 1.69 1 -2 19 32.49 1.63 -2 2 -19 20.65 1.21 -2 2 -19 21.74 1.30 2 -2 19 19.59 1.26 -3 2 -19 0.45 0.37 -3 2 -19 1.67 0.49 3 -2 19 1.54 0.49 6 1 -19 48.95 2.09 5 1 -19 34.76 1.56 5 1 -19 31.14 1.58 5 1 -19 31.26 1.51 4 1 -19 27.26 1.44 4 1 -19 31.53 1.43 4 1 -19 28.34 1.42 3 1 -19 0.35 0.33 3 1 -19 0.27 0.25 3 1 -19 0.55 0.31 2 1 -19 2.40 0.47 2 1 -19 2.38 0.48 1 1 -19 1.16 0.37 1 1 -19 1.15 0.38 0 1 -19 27.83 1.41 0 1 -19 28.86 1.45 0 -1 19 23.01 1.31 -1 1 -19 46.11 2.00 -1 1 -19 40.69 1.82 -1 1 -19 44.99 1.92 1 -1 19 41.53 1.89 -2 1 -19 36.35 1.79 -2 1 -19 36.81 1.71 2 -1 19 36.47 1.76 -3 1 -19 6.36 0.76 -3 1 -19 5.60 0.75 3 -1 19 5.59 0.77 6 0 -19 30.21 1.52 6 0 -19 32.86 1.63 6 0 -19 35.35 1.59 5 0 -19 27.86 1.39 5 0 -19 24.23 1.31 5 0 -19 27.50 1.44 4 0 -19 3.68 0.57 4 0 -19 4.96 0.67 4 0 -19 3.02 0.47 3 0 -19 5.58 0.65 3 0 -19 5.84 0.67 2 0 -19 26.73 1.42 2 0 -19 31.19 1.48 1 0 -19 3.04 0.52 1 0 -19 3.22 0.53 0 0 -19 2.12 0.46 0 0 -19 2.06 0.48 0 0 19 2.09 0.48 -1 0 -19 13.95 0.95 -1 0 -19 15.33 1.00 -1 0 -19 14.99 1.07 1 0 19 15.36 1.06 -2 0 -19 0.35 0.33 -2 0 -19 0.10 0.30 2 0 19 0.21 0.33 6 -1 -19 6.24 0.71 6 -1 -19 5.43 0.65 6 -1 -19 6.29 0.74 -6 1 19 6.03 0.74 5 -1 -19 9.08 0.73 5 -1 -19 8.70 0.80 5 -1 -19 7.39 0.75 -5 1 19 8.56 0.78 4 -1 -19 0.21 0.28 4 -1 -19 0.56 0.32 -4 1 19 0.34 0.37 3 -1 -19 21.54 1.24 3 -1 -19 20.37 1.19 2 -1 -19 30.59 1.54 2 -1 -19 32.53 1.59 1 -1 -19 43.27 1.86 1 -1 -19 40.82 1.89 0 -1 -19 10.17 0.89 0 -1 -19 10.40 0.84 -1 -1 -19 17.38 1.07 -1 -1 -19 17.05 1.14 -1 -1 -19 17.44 1.08 1 1 19 14.43 1.06 -2 -1 -19 2.53 0.52 -2 -1 -19 3.56 0.64 2 1 19 3.56 0.60 6 -2 -19 2.59 0.55 6 -2 -19 1.87 0.42 6 -2 -19 2.19 0.49 -6 2 19 1.48 0.45 5 -2 -19 1.39 0.42 5 -2 -19 1.17 0.41 -5 2 19 0.98 0.35 4 -2 -19 5.88 0.71 4 -2 -19 4.84 0.67 -4 2 19 5.12 0.67 3 -2 -19 16.39 1.11 3 -2 -19 16.68 1.09 -3 2 19 16.86 1.07 2 -2 -19 17.74 1.17 2 -2 -19 20.42 1.16 1 -2 -19 30.14 1.49 1 -2 -19 31.07 1.59 0 -2 -19 18.26 1.20 0 -2 -19 18.92 1.14 -1 -2 -19 11.35 0.87 -1 -2 -19 11.37 0.90 -1 -2 -19 10.92 0.94 1 2 19 12.01 1.00 5 -3 -19 7.24 0.80 5 -3 -19 5.69 0.75 -5 3 19 5.96 0.74 4 -3 -19 13.95 1.00 4 -3 -19 14.68 1.07 -4 3 19 13.42 1.02 3 -3 -19 7.09 0.75 3 -3 -19 5.61 0.71 -3 3 19 6.74 0.77 2 -3 -19 0.10 0.28 2 -3 -19 0.27 0.35 -2 3 19 -0.05 0.33 1 -3 -19 3.17 0.60 1 -3 -19 2.89 0.51 -1 3 19 2.94 0.80 0 -3 -19 2.81 0.63 0 -3 -19 3.34 0.52 0 -3 -19 2.70 0.57 4 -4 -19 87.88 3.17 4 -4 -19 87.38 3.25 -4 4 19 77.05 3.12 3 -4 -19 50.09 2.22 3 -4 -19 48.14 2.10 -3 4 19 50.53 2.19 2 4 -20 3.09 0.52 2 4 -20 4.31 0.63 2 4 -20 2.78 0.50 1 4 -20 0.33 0.29 1 4 -20 1.00 0.37 0 4 -20 2.32 0.51 0 -4 20 2.70 0.56 -1 4 -20 24.97 1.41 1 -4 20 24.55 1.45 3 3 -20 7.36 0.77 3 3 -20 12.19 0.94 3 3 -20 9.78 0.81 2 3 -20 0.60 0.36 2 3 -20 0.15 0.27 2 3 -20 0.56 0.30 1 3 -20 0.70 0.36 1 3 -20 0.74 0.35 0 3 -20 9.16 0.85 0 -3 20 7.64 0.88 -1 3 -20 1.81 0.46 1 -3 20 1.41 0.48 4 2 -20 7.94 0.76 4 2 -20 7.59 0.80 4 2 -20 9.33 0.79 3 2 -20 1.82 0.40 3 2 -20 2.03 0.50 3 2 -20 2.70 0.50 2 2 -20 0.92 0.35 2 2 -20 0.90 0.35 1 2 -20 12.02 0.96 1 2 -20 12.52 0.96 0 2 -20 59.42 2.43 0 2 -20 60.95 2.47 -1 2 -20 56.51 2.40 1 -2 20 57.94 2.40 4 1 -20 19.04 1.16 4 1 -20 20.58 1.14 4 1 -20 18.04 1.20 3 1 -20 0.46 0.29 3 1 -20 0.86 0.36 2 1 -20 0.81 0.34 2 1 -20 1.46 0.42 1 1 -20 18.84 1.20 1 1 -20 20.34 1.22 0 1 -20 46.89 2.00 0 1 -20 41.62 1.98 -1 1 -20 97.68 3.47 -1 1 -20 97.00 3.55 1 -1 20 92.74 3.45 4 0 -20 2.84 0.52 4 0 -20 2.92 0.53 3 0 -20 12.88 0.96 3 0 -20 12.74 0.99 2 0 -20 19.54 1.18 2 0 -20 16.17 1.11 1 0 -20 0.97 0.37 1 0 -20 1.00 0.39 0 0 -20 3.22 0.58 0 0 -20 4.87 0.66 4 -1 -20 19.32 1.20 4 -1 -20 20.03 1.22 3 -1 -20 37.80 1.78 3 -1 -20 35.33 1.73 2 -1 -20 23.88 1.33 2 -1 -20 21.63 1.31 1 -1 -20 21.25 1.27 1 -1 -20 20.10 1.22 0 -1 -20 1.64 0.44 0 -1 -20 0.88 0.38 3 -2 -20 3.47 0.56 3 -2 -20 3.65 0.63 2 -2 -20 6.30 0.77 2 -2 -20 6.03 0.73 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 47004 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 Pd1 Pd 0.63407(2) 0.45358(2) 0.59226(2) 0.01173(5) Uani 1 1 d . . . . . Pd2 Pd 0.49155(2) 0.30583(2) 0.43489(2) 0.01110(5) Uani 1 1 d . . . . . S1 S 0.47322(5) 0.52404(5) 0.64191(3) 0.01265(10) Uani 1 1 d . . . . . S2 S 0.29173(5) 0.33956(5) 0.44608(3) 0.01231(10) Uani 1 1 d . . . . . O1 O 0.55432(16) 0.26927(14) 0.63017(9) 0.0189(3) Uani 1 1 d . . . . . O2 O 0.44435(15) 0.15220(14) 0.50562(9) 0.0167(3) Uani 1 1 d . . . . . O3 O 0.79249(15) 0.40460(15) 0.55220(9) 0.0183(3) Uani 1 1 d . . . . . O4 O 0.68237(15) 0.29244(14) 0.42619(9) 0.0169(3) Uani 1 1 d . . . . . C1 C 0.4820(2) 0.1630(2) 0.58215(13) 0.0156(4) Uani 1 1 d . . . . . C2 C 0.4374(3) 0.0370(2) 0.62026(14) 0.0237(5) Uani 1 1 d . . . . . H2A H 0.346046 -0.022934 0.590990 0.036 Uiso 1 1 calc GR . . . . H2B H 0.432128 0.059112 0.678177 0.036 Uiso 1 1 calc GR . . . . H2C H 0.504795 -0.007205 0.616488 0.036 Uiso 1 1 calc GR . . . . C3 C 0.7861(2) 0.3394(2) 0.48315(13) 0.0155(4) Uani 1 1 d . . . . . C4 C 0.9160(2) 0.3176(2) 0.46692(15) 0.0232(5) Uani 1 1 d . . . . . H4A H 0.967431 0.387309 0.436862 0.035 Uiso 1 1 calc GR . . . . H4B H 0.891430 0.229779 0.433994 0.035 Uiso 1 1 calc GR . . . . H4C H 0.973758 0.321629 0.519301 0.035 Uiso 1 1 calc GR . . . . C5 C 0.5629(2) 0.5943(2) 0.74423(12) 0.0138(4) Uani 1 1 d . . . . . C6 C 0.5946(2) 0.5101(2) 0.79521(12) 0.0161(4) Uani 1 1 d . . . . . H6 H 0.569982 0.417969 0.775080 0.019 Uiso 1 1 calc R . . . . C7 C 0.6627(2) 0.5604(2) 0.87627(13) 0.0178(4) Uani 1 1 d . . . . . C8 C 0.6959(2) 0.6961(2) 0.90316(13) 0.0169(4) Uani 1 1 d . . . . . H8 H 0.742274 0.731584 0.958010 0.020 Uiso 1 1 calc R . . . . C9 C 0.6637(2) 0.7823(2) 0.85268(12) 0.0143(4) Uani 1 1 d . . . . . C10 C 0.5968(2) 0.7292(2) 0.77255(12) 0.0137(4) Uani 1 1 d . . . . . H10 H 0.574004 0.785344 0.736820 0.016 Uiso 1 1 calc R . . . . C11 C 0.7005(3) 0.4660(2) 0.93104(14) 0.0236(5) Uani 1 1 d . . . . . C12 C 0.7965(3) 0.4070(2) 0.89180(15) 0.0256(5) Uani 1 1 d . . . . . H12A H 0.751128 0.361084 0.836200 0.038 Uiso 1 1 calc GR . . . . H12B H 0.816185 0.343135 0.925196 0.038 Uiso 1 1 calc GR . . . . H12C H 0.883375 0.478998 0.888929 0.038 Uiso 1 1 calc GR . . . . C13 C 0.5688(3) 0.3518(3) 0.93937(18) 0.0368(6) Uani 1 1 d . . . . . H13A H 0.507512 0.388387 0.965395 0.055 Uiso 1 1 calc GR . . . . H13B H 0.593386 0.290891 0.973314 0.055 Uiso 1 1 calc GR . . . . H13C H 0.521150 0.303028 0.884731 0.055 Uiso 1 1 calc GR . . . . C14 C 0.7764(3) 0.5388(3) 1.01709(15) 0.0399(7) Uani 1 1 d . . . . . H14A H 0.861964 0.611069 1.012374 0.060 Uiso 1 1 calc GR . . . . H14B H 0.799065 0.475540 1.049800 0.060 Uiso 1 1 calc GR . . . . H14C H 0.716644 0.576263 1.044085 0.060 Uiso 1 1 calc GR . . . . C15 C 0.7064(2) 0.9312(2) 0.88545(13) 0.0169(4) Uani 1 1 d . . . . . C16 C 0.8647(2) 0.9923(2) 0.90979(15) 0.0255(5) Uani 1 1 d . . . . . H16A H 0.895076 0.946160 0.952339 0.038 Uiso 1 1 calc GR . . . . H16B H 0.892606 1.087366 0.931121 0.038 Uiso 1 1 calc GR . . . . H16C H 0.907486 0.982227 0.861455 0.038 Uiso 1 1 calc GR . . . . C17 C 0.6386(2) 0.9474(2) 0.96080(14) 0.0237(5) Uani 1 1 d . . . . . H17A H 0.537627 0.905463 0.945444 0.035 Uiso 1 1 calc GR . . . . H17B H 0.663626 1.042678 0.980659 0.035 Uiso 1 1 calc GR . . . . H17C H 0.671270 0.904409 1.004398 0.035 Uiso 1 1 calc GR . . . . C18 C 0.6620(2) 1.0082(2) 0.82112(14) 0.0221(5) Uani 1 1 d . . . . . H18A H 0.705761 1.000572 0.772865 0.033 Uiso 1 1 calc GR . . . . H18B H 0.690960 1.102581 0.844543 0.033 Uiso 1 1 calc GR . . . . H18C H 0.561020 0.970859 0.804747 0.033 Uiso 1 1 calc GR . . . . C19 C 0.1583(2) 0.2316(2) 0.36608(12) 0.0129(4) Uani 1 1 d . . . . . C20 C 0.1170(2) 0.0940(2) 0.36596(13) 0.0168(4) Uani 1 1 d . . . . . H20 H 0.168523 0.058873 0.402721 0.020 Uiso 1 1 calc R . . . . C21 C -0.0006(2) 0.0078(2) 0.31162(13) 0.0187(4) Uani 1 1 d . . . . . C22 C -0.0740(2) 0.0646(2) 0.25992(13) 0.0183(4) Uani 1 1 d . . . . . H22 H -0.154385 0.006859 0.223056 0.022 Uiso 1 1 calc R . . . . C23 C -0.0351(2) 0.2020(2) 0.25980(12) 0.0147(4) Uani 1 1 d . . . . . C24 C 0.0847(2) 0.2855(2) 0.31276(12) 0.0138(4) Uani 1 1 d . . . . . H24 H 0.116189 0.379366 0.312461 0.017 Uiso 1 1 calc R . . . . C25 C -0.0519(3) -0.1437(2) 0.31466(15) 0.0272(5) Uani 1 1 d . . . . . C26 C -0.1168(3) -0.1681(3) 0.39234(19) 0.0370(6) Uani 1 1 d . U . . . H26A H -0.045363 -0.125435 0.441060 0.056 Uiso 1 1 calc GR . . . . H26B H -0.156701 -0.264474 0.393697 0.056 Uiso 1 1 calc GR . . . . H26C H -0.189877 -0.130153 0.391949 0.056 Uiso 1 1 calc GR . . . . C27 C 0.0669(3) -0.1952(3) 0.3181(2) 0.0418(7) Uani 1 1 d . U . . . H27A H 0.106511 -0.182740 0.267558 0.063 Uiso 1 1 calc GR . . . . H27B H 0.032418 -0.290510 0.323219 0.063 Uiso 1 1 calc GR . . . . H27C H 0.138439 -0.145739 0.365616 0.063 Uiso 1 1 calc GR . . . . C28 C -0.1678(4) -0.2226(3) 0.2419(2) 0.0657(11) Uani 1 1 d . U . . . H28A H -0.243819 -0.188394 0.240891 0.099 Uiso 1 1 calc GR . . . . H28B H -0.202365 -0.317399 0.248194 0.099 Uiso 1 1 calc GR . . . . H28C H -0.131194 -0.212142 0.190365 0.099 Uiso 1 1 calc GR . . . . C29 C -0.1219(2) 0.2586(2) 0.20269(13) 0.0192(4) Uani 1 1 d . . . . . C30 C -0.2767(2) 0.1859(3) 0.20205(17) 0.0317(6) Uani 1 1 d . . . . . H30A H -0.330353 0.227686 0.168673 0.048 Uiso 1 1 calc GR . . . . H30B H -0.295588 0.191739 0.258440 0.048 Uiso 1 1 calc GR . . . . H30C H -0.303396 0.091846 0.178610 0.048 Uiso 1 1 calc GR . . . . C31 C -0.0891(3) 0.4080(2) 0.23014(14) 0.0252(5) Uani 1 1 d . . . . . H31A H -0.105645 0.421509 0.286633 0.038 Uiso 1 1 calc GR . . . . H31B H -0.148964 0.439567 0.193539 0.038 Uiso 1 1 calc GR . . . . H31C H 0.008190 0.458245 0.227772 0.038 Uiso 1 1 calc GR . . . . C32 C -0.0895(3) 0.2377(2) 0.11582(14) 0.0251(5) Uani 1 1 d . . . . . H32A H 0.009439 0.284878 0.116256 0.038 Uiso 1 1 calc GR . . . . H32B H -0.143990 0.272837 0.077925 0.038 Uiso 1 1 calc GR . . . . H32C H -0.113449 0.142031 0.097763 0.038 Uiso 1 1 calc GR . . . . 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 Pd1 0.01452(8) 0.00886(8) 0.01050(8) -0.00078(6) -0.00091(6) 0.00421(6) Pd2 0.01277(8) 0.00928(8) 0.00991(8) -0.00014(5) -0.00119(6) 0.00379(6) S1 0.0149(2) 0.0104(2) 0.0106(2) -0.00011(18) 0.00001(18) 0.00312(19) S2 0.0132(2) 0.0109(2) 0.0110(2) 0.00019(18) -0.00082(18) 0.00341(18) O1 0.0274(8) 0.0112(7) 0.0168(7) 0.0016(6) 0.0010(6) 0.0065(6) O2 0.0217(8) 0.0121(7) 0.0151(7) 0.0024(6) 0.0003(6) 0.0056(6) O3 0.0185(7) 0.0183(7) 0.0189(8) -0.0004(6) 0.0008(6) 0.0092(6) O4 0.0168(7) 0.0177(7) 0.0171(7) 0.0002(6) 0.0018(6) 0.0083(6) C1 0.0178(10) 0.0126(9) 0.0195(11) 0.0029(8) 0.0049(8) 0.0086(8) C2 0.0358(13) 0.0140(10) 0.0245(12) 0.0076(9) 0.0088(10) 0.0105(10) C3 0.0164(10) 0.0113(9) 0.0199(11) 0.0058(8) 0.0033(8) 0.0054(8) C4 0.0199(11) 0.0264(12) 0.0266(12) 0.0025(9) 0.0048(9) 0.0128(10) C5 0.0156(10) 0.0139(9) 0.0111(9) -0.0001(7) 0.0015(8) 0.0051(8) C6 0.0225(11) 0.0122(9) 0.0150(10) 0.0023(8) 0.0042(8) 0.0077(8) C7 0.0249(11) 0.0199(11) 0.0130(10) 0.0057(8) 0.0039(8) 0.0123(9) C8 0.0205(10) 0.0200(11) 0.0106(9) -0.0002(8) 0.0003(8) 0.0092(9) C9 0.0138(9) 0.0154(10) 0.0145(10) 0.0005(8) 0.0019(8) 0.0070(8) C10 0.0149(9) 0.0135(9) 0.0137(10) 0.0019(8) 0.0017(8) 0.0066(8) C11 0.0365(13) 0.0227(11) 0.0173(11) 0.0074(9) 0.0039(10) 0.0167(10) C12 0.0330(13) 0.0212(11) 0.0283(13) 0.0085(10) 0.0031(10) 0.0165(10) C13 0.0431(16) 0.0384(15) 0.0403(15) 0.0265(13) 0.0163(13) 0.0203(13) C14 0.070(2) 0.0410(15) 0.0194(12) 0.0058(11) -0.0036(13) 0.0367(15) C15 0.0165(10) 0.0154(10) 0.0162(10) -0.0032(8) -0.0015(8) 0.0055(8) C16 0.0196(11) 0.0210(11) 0.0298(13) -0.0068(9) -0.0022(10) 0.0047(9) C17 0.0273(12) 0.0210(11) 0.0217(11) -0.0044(9) 0.0050(9) 0.0091(10) C18 0.0268(12) 0.0123(10) 0.0241(12) -0.0001(9) -0.0012(9) 0.0058(9) C19 0.0130(9) 0.0128(9) 0.0106(9) -0.0009(7) 0.0014(7) 0.0026(8) C20 0.0221(11) 0.0144(10) 0.0146(10) 0.0042(8) 0.0013(8) 0.0074(9) C21 0.0236(11) 0.0118(10) 0.0159(10) 0.0010(8) 0.0020(9) 0.0011(8) C22 0.0162(10) 0.0172(10) 0.0150(10) -0.0023(8) -0.0008(8) 0.0001(8) C23 0.0155(10) 0.0168(10) 0.0120(9) 0.0002(8) 0.0013(8) 0.0068(8) C24 0.0147(9) 0.0114(9) 0.0145(10) 0.0009(8) 0.0023(8) 0.0040(8) C25 0.0351(13) 0.0113(10) 0.0253(12) 0.0034(9) -0.0039(10) -0.0010(10) C26 0.0297(13) 0.0290(13) 0.0602(18) 0.0226(13) 0.0194(13) 0.0120(11) C27 0.0548(17) 0.0161(11) 0.0640(19) 0.0091(12) 0.0365(15) 0.0145(12) C28 0.092(3) 0.0185(13) 0.057(2) 0.0025(13) -0.0276(19) -0.0024(15) C29 0.0191(11) 0.0211(11) 0.0165(10) -0.0003(8) -0.0036(8) 0.0093(9) C30 0.0185(11) 0.0397(15) 0.0363(14) 0.0059(12) -0.0035(10) 0.0125(11) C31 0.0339(13) 0.0250(12) 0.0197(11) -0.0001(9) -0.0068(10) 0.0191(11) C32 0.0337(13) 0.0259(12) 0.0173(11) 0.0011(9) -0.0027(10) 0.0156(10) 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 Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables 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 _geom_angle_publ_flag S1 Pd1 Pd2 103.230(14) . . ? S1 Pd1 S2 83.256(18) . 2_666 ? S2 Pd1 Pd2 97.910(14) 2_666 . ? O1 Pd1 Pd2 82.77(4) . . ? O1 Pd1 S1 92.33(4) . . ? O1 Pd1 S2 175.58(4) . 2_666 ? O3 Pd1 Pd2 80.76(4) . . ? O3 Pd1 S1 175.18(4) . . ? O3 Pd1 S2 93.57(4) . 2_666 ? O3 Pd1 O1 90.86(6) . . ? S1 Pd2 Pd1 100.000(14) 2_666 . ? S2 Pd2 Pd1 94.792(14) . . ? S2 Pd2 S1 83.400(18) . 2_666 ? O2 Pd2 Pd1 80.52(4) . . ? O2 Pd2 S1 175.45(4) . 2_666 ? O2 Pd2 S2 92.05(4) . . ? O4 Pd2 Pd1 82.60(4) . . ? O4 Pd2 S1 92.98(4) . 2_666 ? O4 Pd2 S2 175.13(4) . . ? O4 Pd2 O2 91.57(6) . . ? Pd1 S1 Pd2 93.577(18) . 2_666 ? C5 S1 Pd1 99.65(7) . . ? C5 S1 Pd2 107.70(7) . 2_666 ? Pd2 S2 Pd1 94.146(19) . 2_666 ? C19 S2 Pd1 107.62(7) . 2_666 ? C19 S2 Pd2 109.07(7) . . ? C1 O1 Pd1 123.89(14) . . ? C1 O2 Pd2 126.28(13) . . ? C3 O3 Pd1 126.13(14) . . ? C3 O4 Pd2 123.83(13) . . ? O1 C1 C2 116.50(19) . . ? O2 C1 O1 126.51(19) . . ? O2 C1 C2 116.99(18) . . ? C1 C2 H2A 109.5 . . ? C1 C2 H2B 109.5 . . ? C1 C2 H2C 109.5 . . ? H2A C2 H2B 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? O3 C3 C4 116.72(19) . . ? O4 C3 O3 126.62(19) . . ? O4 C3 C4 116.66(19) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4B 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C6 C5 S1 118.22(15) . . ? C6 C5 C10 120.95(19) . . ? C10 C5 S1 120.82(16) . . ? C5 C6 H6 119.9 . . ? C5 C6 C7 120.13(19) . . ? C7 C6 H6 119.9 . . ? C6 C7 C11 119.28(19) . . ? C8 C7 C6 117.83(19) . . ? C8 C7 C11 122.88(19) . . ? C7 C8 H8 118.6 . . ? C7 C8 C9 122.73(19) . . ? C9 C8 H8 118.6 . . ? C8 C9 C15 120.09(18) . . ? C10 C9 C8 117.95(19) . . ? C10 C9 C15 121.94(18) . . ? C5 C10 H10 119.8 . . ? C9 C10 C5 120.41(19) . . ? C9 C10 H10 119.8 . . ? C12 C11 C7 109.65(18) . . ? C13 C11 C7 109.7(2) . . ? C13 C11 C12 108.8(2) . . ? C13 C11 C14 108.9(2) . . ? C14 C11 C7 112.02(19) . . ? C14 C11 C12 107.7(2) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C11 C14 H14A 109.5 . . ? C11 C14 H14B 109.5 . . ? C11 C14 H14C 109.5 . . ? H14A C14 H14B 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C9 C15 C16 109.04(17) . . ? C9 C15 C17 109.56(17) . . ? C16 C15 C17 109.75(18) . . ? C18 C15 C9 112.12(17) . . ? C18 C15 C16 108.13(19) . . ? C18 C15 C17 108.20(18) . . ? C15 C16 H16A 109.5 . . ? C15 C16 H16B 109.5 . . ? C15 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C15 C17 H17A 109.5 . . ? C15 C17 H17B 109.5 . . ? C15 C17 H17C 109.5 . . ? H17A C17 H17B 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C15 C18 H18A 109.5 . . ? C15 C18 H18B 109.5 . . ? C15 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C20 C19 S2 118.61(16) . . ? C24 C19 S2 119.57(15) . . ? C24 C19 C20 121.16(18) . . ? C19 C20 H20 120.1 . . ? C19 C20 C21 119.90(19) . . ? C21 C20 H20 120.1 . . ? C20 C21 C25 120.2(2) . . ? C22 C21 C20 117.80(19) . . ? C22 C21 C25 121.86(19) . . ? C21 C22 H22 118.4 . . ? C23 C22 C21 123.10(19) . . ? C23 C22 H22 118.4 . . ? C22 C23 C29 120.67(18) . . ? C24 C23 C22 117.95(19) . . ? C24 C23 C29 121.38(18) . . ? C19 C24 C23 120.03(18) . . ? C19 C24 H24 120.0 . . ? C23 C24 H24 120.0 . . ? C26 C25 C21 107.7(2) . . ? C26 C25 C28 106.0(2) . . ? C27 C25 C21 111.2(2) . . ? C27 C25 C26 109.2(2) . . ? C27 C25 C28 110.6(3) . . ? C28 C25 C21 111.9(2) . . ? C25 C26 H26A 109.5 . . ? C25 C26 H26B 109.5 . . ? C25 C26 H26C 109.5 . . ? H26A C26 H26B 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C25 C27 H27A 109.5 . . ? C25 C27 H27B 109.5 . . ? C25 C27 H27C 109.5 . . ? H27A C27 H27B 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C25 C28 H28A 109.5 . . ? C25 C28 H28B 109.5 . . ? C25 C28 H28C 109.5 . . ? H28A C28 H28B 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C23 C29 C31 111.90(17) . . ? C30 C29 C23 110.51(19) . . ? C30 C29 C31 107.41(19) . . ? C30 C29 C32 109.58(19) . . ? C32 C29 C23 107.76(17) . . ? C32 C29 C31 109.67(19) . . ? C29 C30 H30A 109.5 . . ? C29 C30 H30B 109.5 . . ? C29 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C29 C31 H31A 109.5 . . ? C29 C31 H31B 109.5 . . ? C29 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C29 C32 H32A 109.5 . . ? C29 C32 H32B 109.5 . . ? C29 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pd1 Pd2 2.8560(2) . ? Pd1 S1 2.2740(5) . ? Pd1 S2 2.2742(5) 2_666 ? Pd1 O1 2.0639(14) . ? Pd1 O3 2.0632(14) . ? Pd2 S1 2.2815(5) 2_666 ? Pd2 S2 2.2602(5) . ? Pd2 O2 2.0746(14) . ? Pd2 O4 2.0647(14) . ? S1 C5 1.787(2) . ? S2 C19 1.782(2) . ? O1 C1 1.264(3) . ? O2 C1 1.261(3) . ? O3 C3 1.267(3) . ? O4 C3 1.262(3) . ? C1 C2 1.502(3) . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 C4 1.503(3) . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 C6 1.387(3) . ? C5 C10 1.390(3) . ? C6 H6 0.9500 . ? C6 C7 1.400(3) . ? C7 C8 1.395(3) . ? C7 C11 1.539(3) . ? C8 H8 0.9500 . ? C8 C9 1.400(3) . ? C9 C10 1.388(3) . ? C9 C15 1.534(3) . ? C10 H10 0.9500 . ? C11 C12 1.534(3) . ? C11 C13 1.528(4) . ? C11 C14 1.534(3) . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C16 1.534(3) . ? C15 C17 1.536(3) . ? C15 C18 1.530(3) . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C20 1.393(3) . ? C19 C24 1.391(3) . ? C20 H20 0.9500 . ? C20 C21 1.399(3) . ? C21 C22 1.395(3) . ? C21 C25 1.540(3) . ? C22 H22 0.9500 . ? C22 C23 1.394(3) . ? C23 C24 1.393(3) . ? C23 C29 1.534(3) . ? C24 H24 0.9500 . ? C25 C26 1.532(4) . ? C25 C27 1.517(4) . ? C25 C28 1.539(4) . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 0.9800 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 C30 1.532(3) . ? C29 C31 1.536(3) . ? C29 C32 1.534(3) . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ?