#------------------------------------------------------------------------------ #$Date: 2021-08-05 04:18:01 +0300 (Thu, 05 Aug 2021) $ #$Revision: 267952 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/79/7707949.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_7707949 loop_ _publ_author_name 'Ang, Pau Lin' 'Nguyen, Van Ha' 'Yip, John H. K.' _publ_section_title ; A dynamic tetranuclear gold(i)-cyclophane -- gold(i)-centred chirality and fluxionality arising from an intramolecular shift of Au--S bonds ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT01984H _journal_year 2021 _chemical_formula_sum 'C96 H84 Au4 O2 P4 S4' _chemical_formula_weight 2309.61 _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 _audit_block_doi 10.5517/ccdc.csd.cc282n01 _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2021-06-15 deposited with the CCDC. 2021-07-16 downloaded from the CCDC. ; _cell_angle_alpha 109.2250(16) _cell_angle_beta 99.6320(17) _cell_angle_gamma 100.9310(16) _cell_formula_units_Z 1 _cell_length_a 12.8550(6) _cell_length_b 13.0540(7) _cell_length_c 13.8019(7) _cell_measurement_reflns_used 9850 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 28.34 _cell_measurement_theta_min 2.75 _cell_volume 2080.26(18) _computing_cell_refinement 'APEX3 v2016.1-0 (Bruker AXS)' _computing_data_collection 'APEX3 (Bruker AXS)' _computing_data_reduction 'SAINT V8.32B (Bruker AXS Inc., 2014)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL--2014 (Sheldrick 2014)' _computing_structure_solution 'SHELXT--(Sheldrick 2015)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0382 _diffrn_reflns_av_unetI/netI 0.0352 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 45610 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.344 _diffrn_reflns_theta_min 2.051 _diffrn_source 'Microfocus Sealed Tube' _exptl_absorpt_coefficient_mu 7.258 _exptl_absorpt_correction_T_max 0.2627 _exptl_absorpt_correction_T_min 0.1768 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'Sadabs, (Sheldrick 2012)' _exptl_crystal_colour Red _exptl_crystal_density_diffrn 1.844 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'Not Measured' _exptl_crystal_description Thin_Plate _exptl_crystal_F_000 1116 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.070 _exptl_crystal_size_min 0.060 _refine_diff_density_max 2.362 _refine_diff_density_min -1.363 _refine_diff_density_rms 0.151 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 498 _refine_ls_number_reflns 10343 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.042 _refine_ls_R_factor_all 0.0388 _refine_ls_R_factor_gt 0.0268 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0281P)^2^+3.3396P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0582 _refine_ls_wR_factor_ref 0.0621 _reflns_Friedel_coverage 0.000 _reflns_number_gt 8608 _reflns_number_total 10343 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt01984h2.cif _cod_data_source_block 1 _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_absorpt_correction_type' value 'Multi-scan' was changed to 'multi-scan' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. data item '_exptl_crystal_density_meas' value 'Not Measured' was changed to '?' -- the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_database_code 7707949 _shelx_shelxl_version_number 2018/3 _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_min 0.325 _shelx_estimated_absorpt_t_max 0.670 _computing_bruker_data_scaling 'SADABS V2012/1 (Bruker AXS Inc.)' _shelx_res_file ; TITL E452 in P-1 E452.res created by SHELXL-2018/3 at 11:00:37 on 01-Jun-2021 CELL 0.71073 12.8550 13.0540 13.8019 109.225 99.632 100.931 ZERR 1 0.00060 0.00070 0.00070 0.0016 0.0017 0.0016 LATT 1 SFAC C H Au P S O UNIT 96 84 4 4 4 2 LIST 4 L.S. 10 ACTA BOND BOND $H FMAP 2 PLAN 20 TEMP -173.150 CONF SIZE 0.20 0.07 0.06 WGHT 0.028100 3.339600 FVAR 0.08146 AU1 3 0.305810 0.691228 0.566128 11.00000 0.01459 0.01425 = 0.01889 0.00993 0.00332 0.00308 AU2 3 0.456568 1.324273 0.390460 11.00000 0.01311 0.00993 = 0.01906 0.00733 0.00424 0.00185 P1 4 0.249156 0.718721 0.415149 11.00000 0.01359 0.01183 = 0.01969 0.00936 0.00433 0.00313 P2 4 0.318376 1.164899 0.313373 11.00000 0.01271 0.00932 = 0.01935 0.00711 0.00380 0.00193 S1 5 0.393040 0.521342 0.566589 11.00000 0.01530 0.01120 = 0.01831 0.00663 0.00525 0.00178 S2 5 0.315394 0.723676 0.745275 11.00000 0.02096 0.01837 = 0.02029 0.00883 0.00659 0.00874 C1 1 0.392516 0.528543 0.697348 11.00000 0.01306 0.01620 = 0.01753 0.01033 0.00260 0.00029 C2 1 0.420971 0.442143 0.725283 11.00000 0.01481 0.01516 = 0.03024 0.01149 0.00268 0.00191 AFIX 43 H2 2 0.436383 0.381822 0.673763 11.00000 -1.20000 AFIX 0 C3 1 0.427149 0.442632 0.826216 11.00000 0.01909 0.02876 = 0.03305 0.02129 0.00499 0.00882 AFIX 43 H3 2 0.445657 0.382717 0.843722 11.00000 -1.20000 AFIX 0 C4 1 0.406123 0.531252 0.901732 11.00000 0.01883 0.03614 = 0.02556 0.02191 0.00333 0.00377 AFIX 43 H4 2 0.412869 0.533698 0.972114 11.00000 -1.20000 AFIX 0 C5 1 0.375341 0.616158 0.874915 11.00000 0.01950 0.02404 = 0.02212 0.00911 0.00566 0.00444 AFIX 43 H5 2 0.361094 0.676310 0.927640 11.00000 -1.20000 AFIX 0 C6 1 0.364488 0.616042 0.771594 11.00000 0.01256 0.01976 = 0.01876 0.01047 0.00264 0.00195 C7 1 0.293617 0.861883 0.418583 11.00000 0.01365 0.01213 = 0.01580 0.00793 0.00266 0.00221 C8 1 0.385141 0.895078 0.381064 11.00000 0.01202 0.01194 = 0.02054 0.00855 0.00106 0.00248 C9 1 0.467131 0.834853 0.368254 11.00000 0.01548 0.01092 = 0.02300 0.00717 -0.00026 0.00272 AFIX 43 H9 2 0.461325 0.770477 0.386862 11.00000 -1.20000 AFIX 0 C10 1 0.553227 0.867598 0.330050 11.00000 0.01398 0.01601 = 0.02814 0.00761 0.00403 0.00596 AFIX 43 H10 2 0.606156 0.825614 0.321824 11.00000 -1.20000 AFIX 0 C11 1 0.564594 0.963130 0.302600 11.00000 0.01556 0.02071 = 0.02392 0.01049 0.00586 0.00406 AFIX 43 H11 2 0.624338 0.984489 0.274809 11.00000 -1.20000 AFIX 0 C12 1 0.489777 1.025435 0.315824 11.00000 0.01478 0.01206 = 0.02359 0.00975 0.00273 0.00036 AFIX 43 H12 2 0.499047 1.090179 0.297673 11.00000 -1.20000 AFIX 0 C13 1 0.398761 0.995573 0.355987 11.00000 0.01092 0.00994 = 0.02049 0.00474 -0.00036 0.00130 C14 1 0.322230 1.060749 0.375477 11.00000 0.01373 0.01016 = 0.02253 0.00886 0.00093 0.00174 C15 1 0.253063 1.044788 0.441154 11.00000 0.01248 0.01174 = 0.01758 0.00647 0.00074 0.00095 C16 1 0.202742 1.128514 0.494040 11.00000 0.01921 0.01469 = 0.02159 0.00833 0.00295 0.00658 AFIX 43 H16 2 0.214527 1.197704 0.483456 11.00000 -1.20000 AFIX 0 C17 1 0.138417 1.111444 0.559128 11.00000 0.02131 0.01740 = 0.02603 0.00535 0.00837 0.00906 AFIX 43 H17 2 0.106545 1.168822 0.593640 11.00000 -1.20000 AFIX 0 C18 1 0.118597 1.008997 0.575844 11.00000 0.01831 0.02340 = 0.01902 0.00813 0.00799 0.00332 AFIX 43 H18 2 0.072570 0.997304 0.620477 11.00000 -1.20000 AFIX 0 C19 1 0.165827 0.926478 0.527614 11.00000 0.01608 0.01465 = 0.02152 0.00917 0.00423 0.00133 AFIX 43 H19 2 0.151043 0.857626 0.538673 11.00000 -1.20000 AFIX 0 C20 1 0.236520 0.941607 0.461340 11.00000 0.01263 0.01331 = 0.01893 0.00719 0.00411 0.00063 C1W 1 0.181309 1.186747 0.298734 11.00000 0.01532 0.01708 = 0.02062 0.01047 0.00435 0.00499 C2W 1 0.173374 1.297416 0.342382 11.00000 0.02799 0.02044 = 0.02331 0.01183 0.00817 0.01037 AFIX 43 H2W 2 0.237626 1.357566 0.377239 11.00000 -1.20000 AFIX 0 C3W 1 0.070215 1.318870 0.334343 11.00000 0.02768 0.02600 = 0.03646 0.01472 0.01097 0.01500 AFIX 43 H3W 2 0.064924 1.393788 0.365018 11.00000 -1.20000 AFIX 0 C4W 1 -0.023479 1.233034 0.282687 11.00000 0.02299 0.04212 = 0.04024 0.02239 0.01147 0.01621 AFIX 43 H4W 2 -0.093144 1.248311 0.277283 11.00000 -1.20000 AFIX 0 C5W 1 -0.015020 1.123516 0.238420 11.00000 0.01754 0.03231 = 0.03721 0.01596 0.00344 -0.00125 AFIX 43 H5W 2 -0.079488 1.063892 0.202369 11.00000 -1.20000 AFIX 0 C6W 1 0.086538 1.100079 0.246205 11.00000 0.02230 0.01888 = 0.02890 0.00958 0.00376 0.00310 AFIX 43 H6W 2 0.091096 1.024877 0.215632 11.00000 -1.20000 AFIX 0 C1X 1 0.325355 1.091911 0.177354 11.00000 0.01795 0.01465 = 0.01545 0.00411 0.00178 0.00676 C2X 1 0.390228 1.150005 0.131506 11.00000 0.02424 0.01959 = 0.02410 0.01059 0.00722 0.00588 AFIX 43 H2X 2 0.428301 1.226714 0.170355 11.00000 -1.20000 AFIX 0 C3X 1 0.400183 1.097200 0.029230 11.00000 0.03445 0.03175 = 0.02581 0.01121 0.01310 0.01065 AFIX 43 H3X 2 0.445103 1.137667 -0.001306 11.00000 -1.20000 AFIX 0 C4X 1 0.344417 0.985460 -0.027952 11.00000 0.03975 0.03185 = 0.02502 0.00538 0.01260 0.01646 AFIX 43 H4X 2 0.351214 0.949187 -0.097713 11.00000 -1.20000 AFIX 0 C5X 1 0.278451 0.926379 0.016828 11.00000 0.03608 0.02032 = 0.02957 0.00491 0.00389 0.00976 AFIX 43 H5X 2 0.239861 0.849928 -0.022616 11.00000 -1.20000 AFIX 0 C6X 1 0.268886 0.979188 0.119495 11.00000 0.02260 0.01741 = 0.02937 0.00928 0.00451 0.00422 AFIX 43 H6X 2 0.224092 0.938669 0.150084 11.00000 -1.20000 AFIX 0 C1Y 1 0.099423 0.680848 0.370939 11.00000 0.01349 0.01174 = 0.02074 0.00641 0.00276 0.00211 C2Y 1 0.047463 0.699066 0.283250 11.00000 0.02003 0.02581 = 0.02773 0.01651 0.00787 0.00633 AFIX 43 H2Y 2 0.088930 0.741954 0.252201 11.00000 -1.20000 AFIX 0 C3Y 1 -0.064183 0.654975 0.241267 11.00000 0.02128 0.03039 = 0.02703 0.01068 0.00296 0.00835 AFIX 43 H3Y 2 -0.098842 0.665753 0.180306 11.00000 -1.20000 AFIX 0 C4Y 1 -0.125418 0.595062 0.288236 11.00000 0.01513 0.02487 = 0.03464 0.01036 0.00376 0.00257 AFIX 43 H4Y 2 -0.202011 0.564573 0.259286 11.00000 -1.20000 AFIX 0 C5Y 1 -0.075277 0.579712 0.376852 11.00000 0.01848 0.02358 = 0.03441 0.01334 0.01033 0.00051 AFIX 43 H5Y 2 -0.117742 0.540454 0.410034 11.00000 -1.20000 AFIX 0 C6Y 1 0.036959 0.621348 0.417814 11.00000 0.02305 0.01602 = 0.02885 0.01272 0.00908 0.00611 AFIX 43 H6Y 2 0.071282 0.609187 0.478082 11.00000 -1.20000 AFIX 0 C1Z 1 0.276130 0.627411 0.294439 11.00000 0.01354 0.01346 = 0.02220 0.00789 0.00364 0.00269 C2Z 1 0.259021 0.645110 0.199511 11.00000 0.02266 0.02162 = 0.02205 0.00984 0.00844 0.00865 AFIX 43 H2Z 2 0.243693 0.713055 0.198071 11.00000 -1.20000 AFIX 0 C3Z 1 0.264330 0.563510 0.106808 11.00000 0.02642 0.03109 = 0.02341 0.01399 0.00650 0.00907 AFIX 43 H3Z 2 0.251668 0.575605 0.042120 11.00000 -1.20000 AFIX 0 C4Z 1 0.287881 0.465093 0.108253 11.00000 0.02247 0.01722 = 0.02619 0.00403 0.00834 0.00382 AFIX 43 H4Z 2 0.290172 0.409012 0.044567 11.00000 -1.20000 AFIX 0 C5Z 1 0.308074 0.448528 0.202562 11.00000 0.02917 0.01449 = 0.03153 0.00830 0.00840 0.00885 AFIX 43 H5Z 2 0.325889 0.381586 0.204033 11.00000 -1.20000 AFIX 0 C6Z 1 0.302497 0.528919 0.294935 11.00000 0.02057 0.01798 = 0.02401 0.01254 0.00605 0.00463 AFIX 43 H6Z 2 0.316824 0.516832 0.359536 11.00000 -1.20000 AFIX 0 O1S 6 0.073321 0.242901 0.956944 11.00000 0.05357 0.04907 = 0.03869 0.02080 0.00364 0.01207 C1S 1 -0.039244 0.344627 1.046954 11.00000 0.06332 0.07206 = 0.08181 0.04171 0.02588 0.02619 AFIX 137 H1S1 2 0.009724 0.414584 1.052010 11.00000 -1.50000 H1S2 2 -0.070401 0.359009 1.108747 11.00000 -1.50000 H1S3 2 -0.098333 0.316544 0.982266 11.00000 -1.50000 AFIX 0 C2S 1 0.026146 0.255511 1.043534 11.00000 0.02969 0.08622 = 0.03349 0.03103 0.00056 -0.01050 AFIX 23 H2S1 2 0.083695 0.281029 1.110112 11.00000 -1.20000 H2S2 2 -0.023123 0.183067 1.034540 11.00000 -1.20000 AFIX 0 C3S 1 0.146045 0.173296 0.956547 11.00000 0.06442 0.03417 = 0.04035 0.01137 -0.00216 0.01374 AFIX 23 H3S1 2 0.105198 0.096622 0.946297 11.00000 -1.20000 H3S2 2 0.201810 0.204391 1.024916 11.00000 -1.20000 AFIX 0 C4S 1 0.201596 0.169178 0.865035 11.00000 0.07516 0.03426 = 0.03445 0.00910 0.00622 0.02246 AFIX 137 H4S1 2 0.146009 0.135659 0.797524 11.00000 -1.50000 H4S2 2 0.254084 0.123612 0.864637 11.00000 -1.50000 H4S3 2 0.239985 0.245647 0.874809 11.00000 -1.50000 AFIX 0 HKLF 4 REM E452 in P-1 REM wR2 = 0.062061, GooF = S = 1.04156, Restrained GooF = 1.04156 for all data REM R1 = 0.026770 for 8608 Fo > 4sig(Fo) and 0.038818 for all 10343 data REM 498 parameters refined using 0 restraints END WGHT 0.0280 3.3416 REM Highest difference peak 2.362, deepest hole -1.363, 1-sigma level 0.151 Q1 1 0.2893 0.6593 0.4973 11.00000 0.05 2.36 Q2 1 0.4302 1.2967 0.3232 11.00000 0.05 2.26 Q3 1 0.4745 1.3600 0.4633 11.00000 0.05 2.17 Q4 1 0.3283 0.7160 0.6389 11.00000 0.05 1.83 Q5 1 -0.1026 0.3470 1.1254 11.00000 0.05 1.70 Q6 1 0.0063 0.3951 0.9805 11.00000 0.05 1.26 Q7 1 0.1792 1.0215 0.2792 11.00000 0.05 1.11 Q8 1 0.0397 0.1977 1.0589 11.00000 0.05 1.03 Q9 1 0.6077 0.9611 0.2139 11.00000 0.05 1.03 Q10 1 0.2434 0.6570 0.5486 11.00000 0.05 0.97 Q11 1 0.0748 0.7155 0.5242 11.00000 0.05 0.94 Q12 1 0.2236 1.3506 0.3465 11.00000 0.05 0.92 Q13 1 0.0217 0.1795 1.0369 11.00000 0.05 0.87 Q14 1 0.2735 0.6374 0.4361 11.00000 0.05 0.86 Q15 1 0.0197 1.3787 0.4554 11.00000 0.05 0.80 Q16 1 0.1589 0.0582 0.7384 11.00000 0.05 0.80 Q17 1 0.2764 0.6912 0.6859 11.00000 0.05 0.77 Q18 1 0.5159 1.3444 0.3961 11.00000 0.05 0.76 Q19 1 0.4211 1.0077 0.3155 11.00000 0.05 0.74 Q20 1 0.4182 1.2646 0.2629 11.00000 0.05 0.74 ; _shelx_res_checksum 6313 _shelx_hkl_file ; -2 0 0 12.47 0.54 -2 0 0 12.83 0.54 2 0 0 12.97 0.54 2 0 0 12.68 0.53 2 0 0 12.43 0.55 -3 0 0 149.54 4.94 -3 0 0 144.45 4.95 -3 0 0 152.08 4.95 3 0 0 148.25 4.97 3 0 0 145.78 4.95 3 0 0 148.17 4.94 -4 0 0 26.04 1.12 -4 0 0 27.43 1.12 -4 0 0 27.24 1.11 4 0 0 27.85 1.15 4 0 0 26.91 1.10 4 0 0 27.40 1.17 -5 0 0 183.20 6.26 -5 0 0 186.05 6.24 -5 0 0 191.48 6.26 5 0 0 183.91 6.31 5 0 0 183.43 6.27 5 0 0 183.88 6.25 -6 0 0 0.17 0.29 -6 0 0 -0.12 0.30 -6 0 0 0.26 0.29 6 0 0 0.55 0.35 6 0 0 0.09 0.37 6 0 0 0.56 0.27 -7 0 0 110.30 3.87 -7 0 0 108.52 3.92 -7 0 0 109.66 3.89 7 0 0 109.71 4.02 7 0 0 106.06 3.89 7 0 0 109.65 3.94 -8 0 0 150.66 6.37 -8 0 0 177.70 5.93 -8 0 0 175.00 5.91 8 0 0 172.92 5.99 8 0 0 170.16 6.07 8 0 0 172.79 5.95 -9 0 0 17.64 1.22 -9 0 0 15.00 1.03 -9 0 0 15.37 1.15 -9 0 0 13.96 1.14 9 0 0 15.29 1.43 9 0 0 14.13 1.13 9 0 0 17.79 1.29 -10 0 0 2.18 0.67 -10 0 0 3.92 0.69 -10 0 0 3.36 0.67 -10 0 0 3.57 0.61 10 0 0 2.36 0.73 10 0 0 2.34 0.66 10 0 0 1.82 0.85 -11 0 0 1.28 0.73 -11 0 0 -0.54 0.70 -11 0 0 -0.24 0.66 -11 0 0 -0.29 0.59 11 0 0 0.96 0.90 11 0 0 0.06 0.81 11 0 0 0.67 0.65 -12 0 0 52.50 2.35 -12 0 0 50.48 2.59 -12 0 0 48.58 2.47 -12 0 0 50.88 2.46 12 0 0 54.05 2.71 12 0 0 54.85 3.04 12 0 0 49.94 2.62 -13 0 0 141.79 5.46 -13 0 0 142.60 5.16 -13 0 0 135.35 5.25 -13 0 0 135.60 5.25 13 0 0 148.73 5.88 13 0 0 139.98 5.52 13 0 0 143.86 5.57 -14 0 0 62.10 3.12 -14 0 0 64.46 3.12 14 0 0 65.71 3.51 14 0 0 68.32 3.98 -15 0 0 0.55 1.34 -15 0 0 0.60 1.24 15 0 0 -0.82 1.75 15 0 0 1.57 1.47 16 0 0 12.94 1.99 16 0 0 7.58 2.34 16 -1 0 37.19 4.06 16 -1 0 35.74 3.48 15 -1 0 2.24 1.38 15 -1 0 -3.54 1.63 -15 1 0 0.35 1.30 -15 1 0 -1.25 1.43 -15 1 0 1.29 1.12 14 -1 0 1.07 1.19 14 -1 0 0.51 1.43 -14 1 0 0.00 0.95 -14 1 0 -0.46 1.06 -14 1 0 -0.25 1.20 13 -1 0 39.69 2.49 13 -1 0 43.51 2.60 13 -1 0 39.57 2.91 -13 1 0 40.20 2.50 -13 1 0 41.47 2.15 -13 1 0 38.69 2.35 -13 1 0 40.24 2.45 12 -1 0 91.99 4.09 12 -1 0 87.57 3.70 12 -1 0 85.06 3.78 -12 1 0 90.72 3.69 -12 1 0 93.22 3.75 -12 1 0 87.78 3.49 -12 1 0 88.15 3.67 11 -1 0 32.43 1.87 11 -1 0 36.30 2.22 11 -1 0 34.23 1.99 -11 1 0 31.96 1.89 -11 1 0 35.03 1.95 -11 1 0 32.36 1.87 10 -1 0 21.03 1.51 10 -1 0 23.80 1.76 10 -1 0 22.11 1.42 -10 1 0 20.89 1.42 -10 1 0 21.57 1.46 9 -1 0 58.64 2.47 9 -1 0 59.90 2.53 9 -1 0 58.56 2.71 -9 1 0 61.94 2.52 -9 1 0 59.61 2.46 -9 1 0 56.70 2.45 8 -1 0 27.46 1.64 8 -1 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15.98 -3 -1 0 502.56 15.98 -3 -1 0 483.66 16.06 -3 -1 0 473.33 16.00 3 1 0 487.16 16.06 3 1 0 493.58 16.01 3 1 0 490.03 16.00 -4 -1 0 401.72 13.22 -4 -1 0 396.91 13.31 -4 -1 0 397.96 13.23 -4 -1 0 413.10 13.22 4 1 0 407.36 13.32 4 1 0 406.71 13.28 4 1 0 404.67 13.25 -5 -1 0 20.46 0.90 -5 -1 0 19.40 0.90 -5 -1 0 21.85 1.03 -5 -1 0 20.95 0.92 5 1 0 20.08 1.03 5 1 0 21.33 1.03 5 1 0 20.81 0.95 -6 -1 0 10.95 0.82 -6 -1 0 10.22 0.67 -6 -1 0 10.36 0.67 -6 -1 0 10.40 0.69 6 1 0 9.10 0.83 6 1 0 10.33 0.85 6 1 0 10.23 0.72 -7 -1 0 47.85 1.85 -7 -1 0 47.30 1.85 -7 -1 0 46.49 1.83 -7 -1 0 46.64 1.98 7 1 0 47.94 2.02 7 1 0 46.36 1.92 7 1 0 47.91 2.06 -8 -1 0 188.72 6.53 -8 -1 0 189.30 6.51 -8 -1 0 194.88 6.69 -8 -1 0 190.73 6.53 8 1 0 189.06 6.62 8 1 0 195.85 6.71 8 1 0 193.67 6.76 -9 -1 0 59.65 2.60 -9 -1 0 61.52 2.44 -9 -1 0 62.76 2.45 -9 -1 0 62.67 2.42 9 1 0 63.18 2.66 9 1 0 60.42 2.58 9 1 0 62.73 2.77 -10 -1 0 16.62 1.16 -10 -1 0 15.21 1.36 -10 -1 0 14.19 1.14 -10 -1 0 16.64 1.20 10 1 0 16.11 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160.86 5.31 2 -2 0 16.31 0.73 2 -2 0 16.37 0.68 2 -2 0 16.46 0.65 2 -2 0 15.63 0.72 -2 2 0 16.24 0.69 -2 2 0 15.66 0.72 -2 2 0 16.66 0.65 -2 2 0 16.34 0.73 1 -2 0 168.55 5.76 1 -2 0 185.61 5.75 1 -2 0 171.85 5.83 -1 2 0 171.78 5.82 -1 2 0 178.60 5.76 -1 2 0 175.67 5.77 0 -2 0 144.39 4.83 0 2 0 145.93 4.83 -1 -2 0 189.15 6.43 1 2 0 190.88 6.42 1 2 0 204.71 6.49 -2 -2 0 13.35 0.64 -2 -2 0 12.44 0.53 2 2 0 13.55 0.63 2 2 0 12.45 0.60 2 2 0 9.70 0.63 -3 -2 0 59.45 2.12 3 2 0 60.12 2.04 3 2 0 58.45 2.09 3 2 0 58.07 2.02 -4 -2 0 563.62 18.91 4 2 0 561.24 18.87 4 2 0 603.62 18.93 4 2 0 584.85 18.99 4 2 0 578.72 18.89 -5 -2 0 398.61 13.49 -5 -2 0 417.68 13.59 5 2 0 411.95 13.49 5 2 0 409.67 13.60 5 2 0 413.19 13.52 -6 -2 0 72.12 2.62 -6 -2 0 72.14 2.72 6 2 0 71.87 2.75 6 2 0 72.93 2.62 6 2 0 70.44 2.68 -7 -2 0 2.09 0.46 -7 -2 0 2.27 0.56 7 2 0 2.60 0.55 7 2 0 2.40 0.51 7 2 0 2.78 0.48 -8 -2 0 14.62 1.01 8 2 0 13.60 1.25 8 2 0 15.75 1.26 8 2 0 13.42 1.04 -9 -2 0 11.29 1.04 9 2 0 7.94 1.00 9 2 0 11.58 1.27 -10 -2 0 13.26 1.20 10 2 0 11.87 1.27 10 2 0 12.44 1.24 10 2 0 10.96 1.24 -11 -2 0 11.50 1.27 11 2 0 10.63 1.25 11 2 0 10.91 1.11 11 2 0 9.34 1.27 -12 -2 0 79.01 3.18 12 2 0 78.59 3.87 12 2 0 81.92 3.68 12 2 0 79.71 3.49 13 2 0 87.07 4.33 13 2 0 82.24 3.99 13 2 0 83.34 3.89 14 2 0 9.68 1.69 14 2 0 11.10 2.07 15 2 0 6.32 2.17 15 2 0 1.50 1.79 16 -3 0 -0.40 1.91 16 -3 0 0.84 1.61 -16 3 0 2.20 1.64 -16 3 0 -1.05 1.33 -16 3 0 0.47 2.34 15 -3 0 8.58 1.83 15 -3 0 9.80 1.63 -15 3 0 8.47 1.54 -15 3 0 11.84 1.83 14 -3 0 6.83 1.54 14 -3 0 6.91 1.56 -14 3 0 8.02 1.83 -14 3 0 8.07 1.37 13 -3 0 73.63 3.31 13 -3 0 74.43 3.44 13 -3 0 72.82 3.77 -13 3 0 68.74 3.36 -13 3 0 69.11 3.40 -13 3 0 74.58 3.41 12 -3 0 118.39 4.79 12 -3 0 108.30 4.45 12 -3 0 114.64 4.42 -12 3 0 113.58 4.48 -12 3 0 112.01 4.42 -12 3 0 104.68 4.39 11 -3 0 20.71 1.84 11 -3 0 21.23 1.62 11 -3 0 17.24 1.36 -11 3 0 17.78 1.58 -11 3 0 17.88 1.51 -11 3 0 16.75 1.45 -11 3 0 19.92 1.27 10 -3 0 0.86 0.65 10 -3 0 1.12 0.51 10 -3 0 1.23 0.80 -10 3 0 1.38 0.54 -10 3 0 0.82 0.65 -10 3 0 0.80 0.58 -10 3 0 -0.50 0.60 9 -3 0 0.91 0.48 9 -3 0 -0.23 0.57 9 -3 0 1.17 0.58 -9 3 0 0.42 0.52 -9 3 0 0.70 0.49 -9 3 0 1.04 0.58 -9 3 0 0.56 0.51 8 -3 0 91.89 3.51 8 -3 0 91.75 3.61 8 -3 0 95.13 3.69 -8 3 0 95.04 3.56 -8 3 0 94.65 3.43 -8 3 0 95.70 3.60 -8 3 0 94.83 3.48 7 -3 0 64.98 2.74 7 -3 0 69.83 2.61 -7 3 0 69.67 2.57 -7 3 0 67.05 2.68 -7 3 0 66.32 2.64 -7 3 0 68.10 2.56 6 -3 0 27.60 1.27 6 -3 0 28.41 1.43 6 -3 0 28.02 1.31 -6 3 0 27.82 1.24 -6 3 0 27.86 1.28 -6 3 0 28.16 1.34 -6 3 0 28.68 1.39 5 -3 0 283.43 9.35 5 -3 0 283.53 9.30 5 -3 0 277.30 9.43 -5 3 0 275.13 9.33 -5 3 0 278.69 9.28 -5 3 0 275.62 9.41 -5 3 0 283.08 9.36 4 -3 0 321.65 10.60 4 -3 0 316.11 10.66 4 -3 0 324.41 10.56 -4 3 0 324.78 10.61 -4 3 0 322.74 10.54 -4 3 0 315.87 10.66 -4 3 0 313.80 10.62 3 -3 0 1.95 0.28 3 -3 0 1.42 0.25 3 -3 0 1.00 0.24 3 -3 0 1.22 0.31 -3 3 0 1.59 0.23 -3 3 0 1.15 0.29 -3 3 0 1.41 0.28 -3 3 0 1.34 0.30 2 -3 0 0.21 0.16 2 -3 0 0.08 0.15 2 -3 0 0.07 0.19 2 -3 0 -0.07 0.19 -2 3 0 0.07 0.19 -2 3 0 -0.03 0.19 -2 3 0 -0.03 0.14 -2 3 0 -0.02 0.17 1 -3 0 4.57 0.44 -1 3 0 5.01 0.34 -1 3 0 4.91 0.44 -1 3 0 5.00 0.31 0 -3 0 472.36 15.51 0 3 0 473.86 15.50 -1 -3 0 209.38 7.04 1 3 0 211.06 7.02 1 3 0 214.24 7.10 -2 -3 0 17.96 0.79 2 3 0 19.03 0.89 2 3 0 18.19 0.79 -3 -3 0 15.50 0.85 -3 -3 0 15.92 0.70 3 3 0 15.90 0.81 3 3 0 15.56 0.83 -4 -3 0 2.85 0.43 4 3 0 2.98 0.33 4 3 0 2.91 0.38 4 3 0 2.42 0.41 4 3 0 2.96 0.29 -5 -3 0 126.77 4.54 5 3 0 129.75 4.45 5 3 0 128.58 4.49 5 3 0 136.21 4.54 5 3 0 134.00 4.63 -6 -3 0 41.53 1.75 6 3 0 41.80 1.73 6 3 0 42.80 1.85 6 3 0 40.95 1.66 -7 -3 0 6.06 0.81 7 3 0 5.10 0.68 7 3 0 6.38 0.73 7 3 0 6.88 0.77 -8 -3 0 72.63 2.86 8 3 0 76.55 3.00 8 3 0 74.89 2.88 8 3 0 75.58 3.07 -9 -3 0 106.92 3.98 9 3 0 113.53 4.24 9 3 0 104.34 4.55 9 3 0 111.82 4.25 -10 -3 0 61.42 2.66 10 3 0 66.78 3.03 10 3 0 67.24 3.03 10 3 0 70.26 2.86 -11 -3 0 8.33 1.01 11 3 0 8.11 1.30 11 3 0 11.35 1.15 11 3 0 9.43 1.31 -12 -3 0 11.52 1.44 12 3 0 12.59 1.63 12 3 0 13.31 1.53 12 3 0 14.09 1.41 13 3 0 45.23 2.97 13 3 0 39.79 2.87 13 3 0 34.67 3.19 14 3 0 24.75 2.26 14 3 0 23.31 2.54 15 3 0 1.30 2.25 15 3 0 -0.94 2.17 16 -4 0 59.56 3.83 16 -4 0 66.59 4.43 -16 4 0 55.27 3.68 15 -4 0 -2.02 1.51 15 -4 0 2.22 1.44 -15 4 0 3.43 1.46 -15 4 0 -1.06 1.62 14 -4 0 8.53 1.36 14 -4 0 5.84 1.59 -14 4 0 7.02 1.52 -14 4 0 7.57 1.35 -14 4 0 6.46 1.33 13 -4 0 4.46 1.42 13 -4 0 6.10 1.26 -13 4 0 5.74 1.20 -13 4 0 7.19 1.02 -13 4 0 7.42 1.27 12 -4 0 81.63 3.70 12 -4 0 76.84 3.57 -12 4 0 79.45 3.38 -12 4 0 74.51 3.49 -12 4 0 79.72 3.16 11 -4 0 46.00 2.69 11 -4 0 45.62 2.31 -11 4 0 48.36 2.26 -11 4 0 47.99 2.44 -11 4 0 44.02 2.32 -11 4 0 44.73 2.14 10 -4 0 12.59 1.17 10 -4 0 12.02 1.27 10 -4 0 13.02 1.55 -10 4 0 13.72 1.21 -10 4 0 13.32 1.18 -10 4 0 12.64 1.30 -10 4 0 11.14 1.12 9 -4 0 112.30 4.21 9 -4 0 108.63 4.42 -9 4 0 114.13 4.33 -9 4 0 119.65 4.18 -9 4 0 114.12 4.29 -9 4 0 114.47 4.19 8 -4 0 55.33 2.50 8 -4 0 56.05 2.30 -8 4 0 54.52 2.26 -8 4 0 55.46 2.29 -8 4 0 56.27 2.37 7 -4 0 0.13 0.48 7 -4 0 0.50 0.40 7 -4 0 0.33 0.36 -7 4 0 0.02 0.41 -7 4 0 0.02 0.41 -7 4 0 -0.48 0.34 -7 4 0 0.05 0.43 6 -4 0 0.19 0.41 6 -4 0 0.96 0.40 6 -4 0 0.81 0.33 -6 4 0 1.40 0.40 -6 4 0 0.53 0.36 -6 4 0 0.72 0.40 -6 4 0 0.56 0.30 5 -4 0 126.72 4.51 5 -4 0 129.24 4.42 5 -4 0 126.83 4.37 -5 4 0 125.73 4.35 -5 4 0 123.90 4.47 -5 4 0 127.39 4.51 -5 4 0 126.94 4.44 4 -4 0 489.69 16.30 4 -4 0 490.49 16.20 4 -4 0 512.10 16.25 -4 4 0 478.62 16.32 -4 4 0 495.26 16.32 -4 4 0 500.39 16.27 -4 4 0 492.46 16.19 3 -4 0 414.37 14.01 3 -4 0 416.46 13.87 3 -4 0 440.03 13.89 3 -4 0 423.94 13.93 -3 4 0 422.45 13.96 -3 4 0 410.30 14.00 -3 4 0 426.00 13.87 -3 4 0 431.69 13.92 2 -4 0 18.33 0.79 2 -4 0 18.09 0.92 2 -4 0 18.48 0.75 -2 4 0 18.97 0.94 -2 4 0 18.54 0.81 -2 4 0 17.71 0.84 -2 4 0 18.01 0.79 1 -4 0 185.72 6.47 -1 4 0 192.51 6.31 -1 4 0 195.88 6.30 -1 4 0 190.07 6.47 0 -4 0 10.05 0.64 0 4 0 9.43 0.64 -1 -4 0 162.80 5.50 1 4 0 163.08 5.58 1 4 0 159.42 5.48 -2 -4 0 14.33 0.75 2 4 0 14.43 0.85 2 4 0 14.00 0.76 3 4 0 120.31 4.15 3 4 0 123.69 4.25 3 4 0 121.49 4.28 4 4 0 315.20 10.65 4 4 0 319.20 10.64 4 4 0 321.28 10.48 5 4 0 87.74 3.16 5 4 0 86.54 3.23 5 4 0 85.96 3.00 5 4 0 84.28 3.03 -6 -4 0 1.90 0.53 6 4 0 1.17 0.36 6 4 0 1.62 0.55 6 4 0 1.65 0.46 6 4 0 2.24 0.48 -7 -4 0 0.64 0.49 7 4 0 -0.33 0.56 7 4 0 0.46 0.51 7 4 0 -0.21 0.41 -8 -4 0 76.94 3.07 8 4 0 78.76 3.16 8 4 0 83.70 3.29 8 4 0 81.15 3.05 -9 -4 0 172.39 6.08 9 4 0 179.49 6.26 9 4 0 168.99 6.64 9 4 0 171.48 6.45 10 4 0 77.33 3.47 10 4 0 78.30 3.44 10 4 0 78.84 3.23 11 4 0 0.42 0.88 11 4 0 3.48 1.19 11 4 0 1.51 1.01 12 4 0 4.93 1.49 12 4 0 6.09 1.30 12 4 0 4.56 1.23 13 4 0 0.32 1.37 13 4 0 -1.34 1.43 13 4 0 1.39 1.52 14 4 0 3.87 2.02 14 4 0 2.14 1.67 16 -5 0 50.43 3.60 16 -5 0 55.00 4.10 -16 5 0 45.62 3.54 15 -5 0 28.43 2.74 15 -5 0 32.78 3.19 -15 5 0 27.86 2.72 14 -5 0 17.02 1.65 14 -5 0 16.87 1.94 -14 5 0 15.65 1.70 -14 5 0 16.23 1.86 -14 5 0 17.08 1.77 -14 5 0 16.94 1.84 13 -5 0 124.45 5.33 13 -5 0 126.07 4.96 -13 5 0 112.32 5.07 -13 5 0 124.36 4.70 -13 5 0 123.08 4.98 -13 5 0 128.69 4.92 12 -5 0 33.80 3.24 12 -5 0 46.66 2.74 -12 5 0 47.09 2.30 -12 5 0 41.61 2.41 -12 5 0 42.25 2.33 11 -5 0 2.32 0.80 -11 5 0 1.87 0.77 -11 5 0 0.69 0.77 -11 5 0 1.24 0.73 -11 5 0 1.69 0.77 10 -5 0 0.81 0.64 10 -5 0 0.52 0.68 10 -5 0 -0.53 0.75 -10 5 0 0.68 0.66 -10 5 0 0.17 0.62 -10 5 0 1.18 0.67 -10 5 0 0.13 0.64 9 -5 0 56.71 2.69 9 -5 0 62.31 2.51 9 -5 0 59.92 2.51 -9 5 0 54.04 2.56 -9 5 0 59.15 2.57 -9 5 0 58.81 2.51 -9 5 0 58.88 2.64 8 -5 0 256.87 9.13 8 -5 0 263.05 9.00 8 -5 0 267.41 8.95 -8 5 0 262.57 9.00 -8 5 0 260.91 8.90 -8 5 0 265.21 9.12 -8 5 0 263.43 9.04 7 -5 0 124.76 4.34 7 -5 0 123.59 4.38 7 -5 0 116.74 4.49 -7 5 0 119.43 4.41 -7 5 0 121.75 4.50 -7 5 0 122.94 4.30 -7 5 0 121.71 4.43 6 -5 0 0.28 0.39 6 -5 0 0.55 0.48 6 -5 0 0.11 0.33 -6 5 0 -0.09 0.35 -6 5 0 0.20 0.34 -6 5 0 0.22 0.41 -6 5 0 0.16 0.38 5 -5 0 30.33 1.31 5 -5 0 29.13 1.28 5 -5 0 28.16 1.41 -5 5 0 29.56 1.36 -5 5 0 28.35 1.42 -5 5 0 28.74 1.40 -5 5 0 28.58 1.25 4 -5 0 31.65 1.30 4 -5 0 31.03 1.41 4 -5 0 31.24 1.30 -4 5 0 28.99 1.45 -4 5 0 30.84 1.36 -4 5 0 31.37 1.28 -4 5 0 31.82 1.41 3 -5 0 95.78 3.34 3 -5 0 97.61 3.30 3 -5 0 94.18 3.49 -3 5 0 94.59 3.30 -3 5 0 96.33 3.40 -3 5 0 97.41 3.36 -3 5 0 92.10 3.49 2 -5 0 43.89 1.51 2 -5 0 41.22 1.77 2 -5 0 40.49 1.51 -2 5 0 41.56 1.60 -2 5 0 43.86 1.64 -2 5 0 43.63 1.60 -2 5 0 42.79 1.77 1 -5 0 61.83 2.36 -1 5 0 61.24 2.15 -1 5 0 61.96 2.14 -1 5 0 60.34 2.35 0 -5 0 421.88 13.96 0 5 0 419.38 13.94 -1 -5 0 179.61 6.10 1 5 0 177.80 6.07 1 5 0 176.36 6.18 -2 -5 0 0.48 0.31 2 5 0 0.64 0.32 2 5 0 0.98 0.40 3 5 0 0.33 0.37 3 5 0 0.13 0.32 3 5 0 0.54 0.33 4 5 0 151.24 5.29 4 5 0 151.11 5.13 4 5 0 150.44 5.30 5 5 0 159.09 5.65 5 5 0 161.42 5.62 6 5 0 21.36 1.17 6 5 0 21.89 1.41 6 5 0 20.53 1.07 6 5 0 22.70 1.30 7 5 0 13.15 1.29 7 5 0 11.70 0.94 7 5 0 11.24 1.12 7 5 0 11.93 1.13 8 5 0 21.17 1.34 8 5 0 23.07 1.52 8 5 0 21.11 1.69 9 5 0 0.52 0.80 9 5 0 1.14 0.87 9 5 0 1.55 0.94 10 5 0 15.38 1.56 10 5 0 12.61 1.38 10 5 0 12.33 1.40 11 5 0 1.49 1.20 11 5 0 0.60 1.02 11 5 0 -0.55 1.10 12 5 0 20.22 2.05 12 5 0 21.64 2.47 12 5 0 18.25 1.78 13 5 0 72.50 4.41 13 5 0 81.97 4.28 13 5 0 81.35 4.21 14 5 0 24.45 2.85 14 5 0 44.61 4.83 16 -6 0 7.79 2.15 16 -6 0 7.78 1.81 -16 6 0 8.18 1.91 15 -6 0 1.55 1.44 15 -6 0 3.78 1.76 -15 6 0 2.25 1.40 -15 6 0 0.61 1.25 14 -6 0 7.36 1.61 14 -6 0 5.18 1.35 -14 6 0 6.56 1.27 -14 6 0 3.87 1.44 -14 6 0 4.47 1.32 13 -6 0 103.19 4.82 13 -6 0 108.72 4.45 13 -6 0 105.08 4.40 -13 6 0 103.64 4.26 -13 6 0 105.33 4.37 -13 6 0 108.83 4.70 -13 6 0 106.25 4.51 12 -6 0 186.24 8.26 12 -6 0 214.16 7.92 -12 6 0 216.24 7.53 -12 6 0 217.75 7.53 -12 6 0 213.93 7.67 11 -6 0 50.12 2.41 11 -6 0 47.30 2.33 11 -6 0 46.91 2.67 -11 6 0 46.94 2.46 -11 6 0 45.20 2.30 -11 6 0 49.07 2.62 -11 6 0 45.00 2.36 10 -6 0 9.07 1.03 10 -6 0 10.40 1.17 10 -6 0 8.67 1.19 -10 6 0 8.18 0.90 -10 6 0 7.79 0.98 -10 6 0 8.08 1.07 -10 6 0 10.24 1.34 9 -6 0 10.82 1.11 9 -6 0 9.57 1.12 9 -6 0 10.61 1.16 -9 6 0 12.16 1.26 -9 6 0 10.02 1.05 -9 6 0 11.59 1.25 -9 6 0 11.88 1.18 8 -6 0 23.14 1.60 8 -6 0 22.63 1.32 8 -6 0 21.45 1.32 -8 6 0 23.32 1.52 -8 6 0 21.39 1.47 -8 6 0 19.36 1.24 -8 6 0 21.39 1.44 7 -6 0 39.84 1.76 7 -6 0 37.68 1.74 7 -6 0 38.65 1.93 -7 6 0 37.41 1.66 -7 6 0 37.86 1.88 -7 6 0 38.68 1.82 6 -6 0 0.87 0.41 6 -6 0 0.86 0.38 6 -6 0 0.81 0.47 -6 6 0 0.74 0.49 -6 6 0 1.03 0.44 -6 6 0 0.10 0.44 -6 6 0 0.58 0.35 5 -6 0 107.72 3.84 5 -6 0 108.03 3.82 5 -6 0 105.19 3.92 -5 6 0 113.33 4.00 -5 6 0 108.81 3.80 -5 6 0 107.46 4.02 -5 6 0 106.65 3.90 4 -6 0 208.36 7.09 4 -6 0 213.75 7.04 -4 6 0 213.12 7.04 -4 6 0 205.04 7.17 -4 6 0 210.90 7.11 -4 6 0 205.51 7.26 3 -6 0 73.01 2.65 3 -6 0 76.91 2.64 3 -6 0 74.95 2.93 -3 6 0 77.59 2.80 -3 6 0 78.23 2.75 -3 6 0 74.21 2.92 -3 6 0 73.23 2.70 2 -6 0 0.35 0.32 -2 6 0 1.38 0.32 -2 6 0 0.72 0.41 -2 6 0 1.11 0.31 -2 6 0 1.31 0.33 1 -6 0 26.37 1.34 -1 6 0 28.67 1.13 -1 6 0 28.06 1.12 -1 6 0 27.62 1.38 0 -6 0 280.82 9.43 0 6 0 275.35 9.40 -1 -6 0 394.55 13.24 1 6 0 391.68 13.20 1 6 0 403.98 13.36 2 6 0 64.86 2.54 2 6 0 69.01 2.72 3 6 0 18.99 1.22 3 6 0 20.06 1.07 4 6 0 40.10 1.82 4 6 0 39.25 1.87 4 6 0 40.52 1.66 5 6 0 5.06 0.74 5 6 0 5.89 0.72 5 6 0 6.15 0.82 6 6 0 20.48 1.05 6 6 0 19.13 1.18 6 6 0 18.20 1.43 6 6 0 17.55 1.32 7 6 0 12.46 1.21 7 6 0 15.14 1.08 7 6 0 13.51 1.32 7 6 0 14.43 1.45 8 6 0 124.97 4.43 8 6 0 116.27 4.51 8 6 0 125.45 4.79 9 6 0 99.28 4.06 9 6 0 93.61 3.87 10 6 0 10.45 1.23 10 6 0 12.51 1.45 10 6 0 11.24 1.39 11 6 0 1.58 1.26 11 6 0 1.08 1.32 11 6 0 -0.07 1.13 12 6 0 3.02 1.52 12 6 0 2.17 1.64 12 6 0 3.26 1.51 13 6 0 30.59 3.41 13 6 0 18.82 2.41 13 6 0 20.03 2.46 16 -7 0 74.23 4.67 16 -7 0 71.35 4.19 -16 7 0 69.26 3.85 -16 7 0 64.81 4.15 15 -7 0 19.48 2.00 15 -7 0 19.94 2.40 -15 7 0 22.36 2.50 -15 7 0 20.75 2.14 14 -7 0 0.25 1.26 14 -7 0 -0.61 1.51 -14 7 0 0.87 1.20 -14 7 0 0.70 1.13 -14 7 0 -1.10 1.24 13 -7 0 0.27 1.33 13 -7 0 -1.06 0.95 13 -7 0 0.19 1.09 -13 7 0 1.42 1.08 -13 7 0 -1.92 1.00 -13 7 0 0.22 1.07 -13 7 0 -0.81 1.24 12 -7 0 26.90 2.97 12 -7 0 27.51 2.43 12 -7 0 32.01 2.08 -12 7 0 27.35 2.12 -12 7 0 26.56 2.06 -12 7 0 31.84 2.11 11 -7 0 61.40 3.15 11 -7 0 61.36 2.82 11 -7 0 60.56 2.85 -11 7 0 63.24 2.94 -11 7 0 61.98 2.76 -11 7 0 61.19 2.91 10 -7 0 -1.27 0.80 10 -7 0 -1.00 0.65 10 -7 0 -0.62 0.65 -10 7 0 -0.55 0.68 -10 7 0 0.53 0.75 -10 7 0 -0.39 0.60 9 -7 0 134.60 5.21 9 -7 0 136.10 5.01 9 -7 0 139.38 4.96 -9 7 0 135.69 4.90 -9 7 0 137.26 5.11 -9 7 0 133.72 5.07 -9 7 0 133.50 5.15 8 -7 0 159.06 5.61 8 -7 0 159.06 5.77 8 -7 0 157.05 5.56 -8 7 0 156.54 5.50 -8 7 0 154.36 5.77 -8 7 0 156.98 5.74 -8 7 0 154.35 5.68 7 -7 0 79.49 3.01 7 -7 0 79.80 3.02 7 -7 0 75.61 3.17 -7 7 0 76.46 2.95 -7 7 0 78.10 3.18 -7 7 0 78.91 3.11 -7 7 0 79.63 3.22 6 -7 0 0.10 0.36 6 -7 0 0.38 0.45 6 -7 0 0.43 0.52 -6 7 0 -0.53 0.39 -6 7 0 -0.15 0.50 -6 7 0 0.19 0.47 -6 7 0 0.33 0.49 5 -7 0 9.45 0.76 5 -7 0 9.55 0.95 -5 7 0 7.96 0.99 -5 7 0 8.56 0.87 -5 7 0 10.19 0.97 -5 7 0 8.82 0.77 4 -7 0 178.18 5.80 4 -7 0 170.58 5.82 -4 7 0 169.26 5.97 -4 7 0 174.35 5.91 -4 7 0 167.13 5.83 -4 7 0 167.81 6.09 -3 7 0 150.60 5.22 -3 7 0 151.67 5.47 -3 7 0 154.65 5.25 -3 7 0 153.14 5.30 -2 7 0 44.93 2.00 -2 7 0 43.93 1.74 -2 7 0 45.01 1.77 -1 7 0 23.97 1.04 -1 7 0 23.30 1.05 -1 7 0 23.78 1.33 0 7 0 52.09 2.20 1 7 0 2.18 0.63 1 7 0 2.41 0.57 2 7 0 20.71 1.26 2 7 0 25.78 1.47 3 7 0 5.99 0.81 3 7 0 6.01 0.67 4 7 0 162.95 5.83 4 7 0 166.89 5.94 4 7 0 163.90 5.71 5 7 0 165.90 5.93 5 7 0 165.53 5.72 5 7 0 165.47 5.99 6 7 0 23.93 1.67 6 7 0 22.56 1.61 7 7 0 2.49 0.74 7 7 0 2.77 0.87 7 7 0 2.69 0.98 7 7 0 3.34 0.62 8 7 0 12.64 1.51 8 7 0 10.42 1.22 8 7 0 11.13 1.00 8 7 0 12.73 1.67 9 7 0 52.81 2.61 9 7 0 46.39 2.52 9 7 0 50.06 2.85 10 7 0 39.79 2.44 10 7 0 39.50 2.78 10 7 0 39.22 2.66 11 7 0 0.61 1.26 11 7 0 2.58 1.42 11 7 0 1.69 2.55 12 7 0 21.56 2.27 12 7 0 17.44 2.05 12 7 0 20.03 2.21 16 -8 0 12.90 2.55 16 -8 0 8.59 1.99 -16 8 0 8.03 1.94 -16 8 0 11.17 2.00 15 -8 0 16.82 2.01 15 -8 0 16.79 2.37 -15 8 0 16.32 2.07 -15 8 0 18.35 1.98 14 -8 0 3.12 1.37 14 -8 0 2.24 1.60 -14 8 0 2.43 1.33 -14 8 0 1.30 1.29 -14 8 0 2.99 1.43 13 -8 0 46.46 2.75 13 -8 0 42.98 2.98 13 -8 0 48.09 3.27 -13 8 0 42.43 2.71 -13 8 0 37.68 4.10 -13 8 0 44.73 2.72 12 -8 0 29.08 2.61 12 -8 0 23.98 2.92 12 -8 0 27.96 2.14 -12 8 0 29.59 2.28 -12 8 0 27.53 2.09 -12 8 0 29.29 2.12 11 -8 0 0.85 1.06 11 -8 0 -0.09 0.85 11 -8 0 0.40 0.91 -11 8 0 -0.12 0.86 -11 8 0 0.32 0.78 -11 8 0 0.21 0.81 10 -8 0 0.36 0.70 10 -8 0 0.29 0.92 10 -8 0 -0.02 0.76 -10 8 0 0.96 0.75 -10 8 0 0.26 0.76 -10 8 0 0.82 0.70 -10 8 0 1.05 0.82 9 -8 0 50.18 2.67 9 -8 0 49.36 2.37 9 -8 0 51.61 2.35 -9 8 0 52.83 2.56 -9 8 0 51.55 2.29 -9 8 0 52.73 2.61 -9 8 0 51.49 2.50 8 -8 0 286.55 9.81 8 -8 0 292.12 9.86 8 -8 0 289.58 10.00 -8 8 0 290.66 9.96 -8 8 0 291.44 9.76 -8 8 0 287.59 10.05 -8 8 0 280.25 10.04 7 -8 0 153.10 5.46 7 -8 0 154.06 5.58 7 -8 0 150.07 5.43 -7 8 0 152.88 5.69 -7 8 0 153.33 5.56 -7 8 0 155.85 5.68 -7 8 0 158.94 5.41 6 -8 0 9.01 0.89 6 -8 0 10.48 1.13 -6 8 0 10.87 1.06 -6 8 0 10.07 0.90 -6 8 0 10.77 1.17 -6 8 0 8.53 1.09 5 -8 0 20.01 1.08 5 -8 0 19.62 1.20 -5 8 0 19.77 1.25 -5 8 0 19.05 1.12 -5 8 0 22.75 1.36 -5 8 0 19.64 1.38 4 -8 0 26.12 1.22 -4 8 0 29.49 1.43 -4 8 0 27.55 1.61 -4 8 0 27.57 1.34 -4 8 0 28.55 1.50 -3 8 0 0.74 0.44 -3 8 0 0.80 0.44 -3 8 0 0.53 0.40 -3 8 0 0.08 0.43 -2 8 0 24.29 1.46 -2 8 0 23.41 1.21 -2 8 0 23.09 1.15 -1 8 0 39.05 1.89 -1 8 0 37.98 1.57 0 8 0 199.38 7.01 1 8 0 124.31 4.71 1 8 0 121.00 4.51 2 8 0 1.66 0.76 2 8 0 0.52 0.50 3 8 0 0.01 0.50 3 8 0 0.46 0.63 4 8 0 26.65 1.50 4 8 0 25.72 1.65 4 8 0 27.51 1.76 5 8 0 191.69 6.86 5 8 0 190.42 6.74 5 8 0 185.43 6.55 6 8 0 71.01 3.04 6 8 0 67.27 3.04 6 8 0 65.37 2.66 7 8 0 1.37 0.97 7 8 0 2.38 0.94 8 8 0 35.09 1.93 8 8 0 34.95 2.13 8 8 0 38.46 2.46 8 8 0 37.25 2.44 9 8 0 7.65 1.23 9 8 0 6.49 1.09 9 8 0 6.27 1.41 10 8 0 1.01 1.35 10 8 0 1.75 1.37 10 8 0 -0.45 1.17 11 8 0 1.04 1.88 11 8 0 1.54 1.73 11 8 0 -0.12 1.57 12 8 0 16.31 2.34 12 8 0 14.73 2.36 16 -9 0 47.24 3.88 16 -9 0 51.92 4.64 -16 9 0 45.05 3.82 -16 9 0 47.27 3.85 15 -9 0 1.69 1.63 15 -9 0 2.38 1.98 -15 9 0 2.59 1.63 -15 9 0 2.59 1.59 14 -9 0 5.31 1.50 14 -9 0 5.95 1.89 -14 9 0 6.60 1.51 -14 9 0 7.43 1.60 -14 9 0 6.09 1.62 13 -9 0 4.16 1.63 13 -9 0 3.93 1.28 -13 9 0 5.84 1.36 -13 9 0 4.08 1.24 -13 9 0 6.45 1.42 12 -9 0 95.05 4.46 12 -9 0 89.50 4.02 12 -9 0 86.94 4.06 -12 9 0 95.81 4.11 -12 9 0 98.54 4.22 -12 9 0 92.04 3.90 11 -9 0 64.23 3.47 11 -9 0 70.29 3.11 -11 9 0 64.96 2.97 -11 9 0 71.29 3.35 -11 9 0 67.74 3.19 10 -9 0 0.66 0.78 10 -9 0 0.36 0.84 10 -9 0 -0.26 1.03 -10 9 0 0.53 0.77 -10 9 0 -0.03 0.84 -10 9 0 1.09 0.87 -10 9 0 0.19 0.91 9 -9 0 13.51 1.39 9 -9 0 11.72 1.34 9 -9 0 12.63 1.38 -9 9 0 15.73 1.60 -9 9 0 10.80 1.89 -9 9 0 12.54 1.62 -9 9 0 12.24 1.28 8 -9 0 1.30 0.63 8 -9 0 0.14 0.71 8 -9 0 0.70 0.80 -8 9 0 0.97 0.77 -8 9 0 0.39 0.74 -8 9 0 1.60 1.14 -8 9 0 0.66 0.73 7 -9 0 31.92 1.82 7 -9 0 30.82 1.60 -7 9 0 31.15 1.92 -7 9 0 31.76 1.98 -7 9 0 33.17 1.81 -7 9 0 31.34 1.63 6 -9 0 25.28 1.51 6 -9 0 27.58 1.40 -6 9 0 26.74 1.44 -6 9 0 29.94 1.74 -6 9 0 27.08 1.74 -6 9 0 27.07 1.58 5 -9 0 27.29 1.31 5 -9 0 26.48 1.33 -5 9 0 28.83 1.65 -5 9 0 27.51 1.41 -5 9 0 29.28 1.77 -5 9 0 26.42 1.53 -4 9 0 141.24 5.00 -4 9 0 141.33 5.34 -4 9 0 144.46 5.17 -4 9 0 144.07 5.07 -3 9 0 164.76 6.03 -3 9 0 165.56 5.74 -3 9 0 167.53 5.73 -3 9 0 161.36 5.78 -2 9 0 59.31 2.68 -2 9 0 60.39 2.40 -2 9 0 61.47 2.35 -1 9 0 2.03 0.66 -1 9 0 1.21 0.45 -1 9 0 1.31 0.44 0 9 0 30.20 1.76 0 9 0 29.21 1.89 1 9 0 90.57 3.59 1 9 0 90.69 3.82 2 9 0 79.95 3.46 2 9 0 79.35 3.21 3 9 0 5.25 0.81 3 9 0 4.57 0.82 3 9 0 4.72 0.95 4 9 0 50.59 2.24 4 9 0 44.99 2.35 4 9 0 49.59 2.56 5 9 0 3.23 1.01 5 9 0 3.58 0.96 5 9 0 3.34 0.78 6 9 0 1.12 0.97 6 9 0 1.06 0.75 6 9 0 2.01 1.03 7 9 0 1.26 1.15 7 9 0 -1.49 1.08 8 9 0 36.63 2.67 8 9 0 35.64 2.63 9 9 0 72.21 3.51 9 9 0 69.72 3.81 9 9 0 74.66 3.28 10 9 0 23.89 2.12 10 9 0 23.47 2.39 11 9 0 7.52 2.11 11 9 0 3.94 1.94 15 -10 0 30.84 3.03 15 -10 0 29.58 3.18 -15 10 0 33.27 3.35 -15 10 0 31.63 3.13 14 -10 0 2.51 1.49 14 -10 0 -0.92 1.85 -14 10 0 1.44 1.63 -14 10 0 1.42 1.42 -14 10 0 -1.72 1.49 13 -10 0 5.38 1.82 13 -10 0 5.73 1.41 -13 10 0 3.90 1.38 -13 10 0 5.01 1.44 -13 10 0 4.02 1.46 12 -10 0 0.27 1.35 12 -10 0 1.69 1.06 12 -10 0 2.25 1.16 -12 10 0 0.21 1.08 -12 10 0 1.46 1.12 -12 10 0 1.29 1.21 11 -10 0 13.18 1.67 11 -10 0 14.25 1.48 -11 10 0 13.46 1.44 -11 10 0 19.99 2.29 -11 10 0 12.03 1.54 -11 10 0 16.16 1.81 10 -10 0 -0.34 0.80 10 -10 0 1.56 0.87 10 -10 0 -0.08 1.03 -10 10 0 0.54 0.97 -10 10 0 0.75 0.83 -10 10 0 0.86 0.82 -10 10 0 1.85 1.02 9 -10 0 42.33 2.59 9 -10 0 43.22 2.26 -9 10 0 46.69 2.23 -9 10 0 45.30 2.44 -9 10 0 44.37 2.61 -9 10 0 45.45 2.63 8 -10 0 78.19 3.23 8 -10 0 84.71 3.42 -8 10 0 82.08 3.56 -8 10 0 81.18 3.67 -8 10 0 76.69 3.17 -8 10 0 80.16 3.44 7 -10 0 19.22 1.31 7 -10 0 16.47 1.43 -7 10 0 19.16 1.55 -7 10 0 16.89 1.71 -7 10 0 17.49 1.34 -7 10 0 16.31 1.67 6 -10 0 0.31 0.52 6 -10 0 0.44 0.52 -6 10 0 -0.16 0.64 -6 10 0 0.71 0.57 -6 10 0 0.50 0.74 -6 10 0 -0.91 0.70 -5 10 0 24.47 1.77 -5 10 0 22.77 1.54 -5 10 0 22.81 1.33 -5 10 0 26.06 1.72 -4 10 0 155.34 5.59 -4 10 0 157.20 5.50 -4 10 0 149.52 5.78 -4 10 0 153.83 5.42 -3 10 0 163.21 5.97 -3 10 0 153.42 5.61 -3 10 0 157.61 5.66 -3 10 0 163.22 5.61 -2 10 0 41.48 1.95 -2 10 0 41.60 1.87 -2 10 0 44.58 2.27 -1 10 0 1.14 0.72 -1 10 0 0.90 0.48 -1 10 0 0.72 0.50 0 10 0 29.28 2.05 0 10 0 30.02 1.45 0 10 0 28.95 1.88 1 10 0 5.35 0.92 1 10 0 7.37 1.21 2 10 0 0.85 0.75 2 10 0 0.72 0.94 3 10 0 16.61 1.53 3 10 0 15.88 1.48 3 10 0 15.13 1.60 4 10 0 73.85 3.27 4 10 0 75.13 3.56 4 10 0 77.85 3.20 5 10 0 139.64 5.28 5 10 0 131.92 5.07 5 10 0 140.62 5.50 6 10 0 26.17 2.48 6 10 0 24.75 2.23 6 10 0 25.23 1.82 7 10 0 1.02 1.16 7 10 0 -0.40 1.34 8 10 0 4.64 1.45 8 10 0 2.23 1.67 9 10 0 35.20 3.20 10 10 0 36.09 3.71 10 10 0 36.06 3.65 15 -11 0 20.70 2.84 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4.76 -7 -7 14 80.35 5.30 -7 -7 14 99.76 4.22 6 7 -14 40.04 2.95 6 7 -14 33.09 2.52 6 7 -14 31.68 2.93 -6 -7 14 24.78 2.92 -6 -7 14 32.31 2.28 5 7 -14 -0.03 1.11 5 7 -14 0.55 1.28 5 7 -14 4.93 1.63 -5 -7 14 0.14 1.05 -5 -7 14 -2.77 1.67 -5 -7 14 0.53 1.07 -5 -7 14 1.01 1.03 4 7 -14 -1.03 1.20 4 7 -14 -1.04 1.10 4 7 -14 1.28 1.30 -4 -7 14 1.71 1.17 -4 -7 14 -0.67 1.09 -4 -7 14 0.52 1.73 -4 -7 14 1.74 0.95 3 7 -14 33.06 2.43 3 7 -14 28.95 2.56 3 7 -14 34.58 2.71 -3 -7 14 29.90 3.27 -3 -7 14 33.91 2.49 -3 -7 14 34.10 2.26 -3 -7 14 32.87 2.44 2 7 -14 80.00 3.74 2 7 -14 72.58 3.63 2 7 -14 74.44 3.83 -2 -7 14 75.20 3.17 -2 -7 14 66.80 4.33 -2 -7 14 72.85 3.64 -2 -7 14 76.04 3.65 1 7 -14 0.37 1.17 1 7 -14 1.39 1.08 1 7 -14 0.45 1.26 -1 -7 14 1.98 1.36 -1 -7 14 -2.43 1.18 -1 -7 14 -0.47 1.59 -1 -7 14 0.25 0.92 0 7 -14 45.48 3.04 0 7 -14 48.86 2.90 0 -7 14 49.31 2.91 0 -7 14 46.85 3.05 0 -7 14 47.01 3.64 0 -7 14 46.07 2.45 -1 7 -14 45.35 2.81 -1 7 -14 40.30 2.87 1 -7 14 34.01 2.28 1 -7 14 37.41 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14 2.47 1.83 9 2 -14 3.65 1.83 -9 -2 14 0.13 1.52 -9 -2 14 1.86 1.79 -9 -2 14 3.05 1.73 8 2 -14 12.25 1.81 8 2 -14 12.43 1.97 -8 -2 14 12.53 2.15 -8 -2 14 14.27 2.03 -8 -2 14 12.14 1.74 -8 -2 14 12.80 1.70 7 2 -14 45.27 2.95 7 2 -14 42.33 3.23 -7 -2 14 45.71 3.03 -7 -2 14 47.51 3.41 -7 -2 14 42.64 3.00 -7 -2 14 41.48 4.02 6 2 -14 5.98 1.28 6 2 -14 6.63 1.28 6 2 -14 7.90 1.62 -6 -2 14 10.45 1.80 -6 -2 14 7.17 1.54 5 2 -14 1.16 1.05 5 2 -14 -0.11 1.33 5 2 -14 -0.27 1.00 -5 -2 14 0.67 2.20 -5 -2 14 1.01 1.42 -5 -2 14 0.45 1.29 4 2 -14 1.80 1.33 4 2 -14 5.37 1.28 -4 -2 14 1.86 1.60 -4 -2 14 3.37 1.47 -4 -2 14 2.60 1.33 -4 -2 14 3.75 1.51 3 2 -14 60.75 3.31 -3 -2 14 60.29 3.27 -3 -2 14 59.24 3.48 -3 -2 14 62.25 3.39 -3 -2 14 58.78 3.62 2 2 -14 76.80 3.67 -2 -2 14 80.39 3.77 -2 -2 14 76.14 4.18 -2 -2 14 71.23 3.84 -2 -2 14 71.35 3.77 1 2 -14 3.32 1.09 1 2 -14 6.96 1.37 1 2 -14 7.28 1.22 -1 -2 14 7.60 1.54 -1 -2 14 7.93 1.46 -1 -2 14 6.30 1.47 -1 -2 14 8.72 1.57 0 2 -14 1.45 1.19 0 2 -14 1.67 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16 53.24 3.85 3 1 -16 67.24 3.94 -3 -1 16 58.35 3.95 -3 -1 16 58.21 3.95 2 1 -16 14.86 2.05 -2 -1 16 13.39 2.09 -2 -1 16 8.91 1.95 1 1 -16 -0.31 1.64 -1 -1 16 2.61 1.91 -1 -1 16 -2.09 1.68 0 1 -16 6.76 1.86 0 -1 16 -0.31 1.75 0 -1 16 5.63 1.99 -1 1 -16 13.72 2.15 1 -1 16 13.87 2.27 1 -1 16 16.92 2.69 -2 1 -16 29.93 3.43 2 -1 16 24.25 2.64 2 -1 16 17.32 2.53 -3 1 -16 -0.10 2.07 -10 0 16 15.64 2.65 9 0 -16 5.33 2.25 -9 0 16 4.86 2.28 -9 0 16 1.89 2.07 8 0 -16 48.44 4.23 -8 0 16 35.13 3.77 -8 0 16 31.34 3.80 7 0 -16 34.07 3.84 -7 0 16 31.25 3.61 -7 0 16 33.96 3.56 6 0 -16 5.40 2.14 -6 0 16 4.42 1.85 -6 0 16 0.72 1.90 5 0 -16 0.12 1.83 -5 0 16 4.61 1.80 -5 0 16 1.22 1.86 4 0 -16 8.09 2.03 -4 0 16 8.77 2.08 -4 0 16 6.70 1.93 3 0 -16 63.28 3.93 -3 0 16 53.18 3.94 -3 0 16 62.24 4.10 2 0 -16 34.57 3.56 -2 0 16 33.55 3.45 -2 0 16 32.99 3.48 1 0 -16 2.95 1.82 -1 0 16 2.95 1.85 -1 0 16 2.57 1.81 0 0 -16 29.73 3.31 0 0 16 30.14 3.43 0 0 16 32.68 3.50 -1 0 -16 14.47 2.22 1 0 16 15.14 2.50 1 0 16 15.18 2.41 -2 0 -16 2.18 2.07 9 -1 -16 2.76 2.85 -9 1 16 -1.26 2.23 -9 1 16 1.38 2.44 8 -1 -16 6.10 2.37 -8 1 16 3.47 2.26 -8 1 16 1.20 2.17 7 -1 -16 30.33 3.08 -7 1 16 21.47 2.71 -7 1 16 22.45 2.74 6 -1 -16 37.39 3.99 -6 1 16 27.02 2.81 -6 1 16 28.44 3.53 5 -1 -16 0.03 2.01 -5 1 16 -0.74 1.90 -5 1 16 -1.55 1.84 4 -1 -16 9.70 2.09 -4 1 16 4.78 1.96 -4 1 16 8.31 2.03 3 -1 -16 0.78 1.79 -3 1 16 -2.53 1.75 -3 1 16 -0.09 1.85 2 -1 -16 0.69 1.84 -2 1 16 -2.71 1.90 -2 1 16 1.74 1.98 1 -1 -16 1.85 1.94 -1 1 16 -0.27 1.94 -1 1 16 -0.46 1.93 0 -1 -16 12.57 2.27 0 1 16 13.20 2.32 0 1 16 15.00 2.24 -1 -1 -16 44.97 4.20 1 1 16 51.05 4.42 8 -2 -16 18.44 2.93 -8 2 16 16.86 2.62 -8 2 16 11.86 2.72 -8 2 16 18.87 2.83 7 -2 -16 8.02 2.60 -7 2 16 9.02 2.17 -7 2 16 9.74 2.57 -7 2 16 7.62 2.24 6 -2 -16 8.07 2.36 -6 2 16 3.71 1.95 -6 2 16 6.06 2.25 -6 2 16 6.70 2.18 5 -2 -16 2.96 2.09 -5 2 16 1.23 2.04 -5 2 16 0.59 2.22 -5 2 16 -1.24 2.10 4 -2 -16 22.78 2.47 -4 2 16 20.40 2.58 -4 2 16 16.61 2.46 3 -2 -16 50.80 4.28 -3 2 16 55.76 4.11 -3 2 16 55.40 4.15 2 -2 -16 23.55 2.64 -2 2 16 18.69 2.60 -2 2 16 23.10 2.55 1 -2 -16 3.01 2.03 -1 2 16 5.60 2.22 6 -3 -16 39.48 4.54 5 -3 -16 3.83 2.16 4 -3 -16 2.14 2.18 -4 3 16 2.72 2.29 3 11 -17 3.37 1.86 -3 -11 17 1.38 2.96 2 11 -17 0.42 1.90 -2 -11 17 -4.51 2.90 1 11 -17 11.80 2.29 -1 -11 17 9.77 3.25 0 11 -17 74.59 4.63 0 -11 17 63.77 5.77 -1 11 -17 25.15 2.74 1 -11 17 30.44 3.94 5 10 -17 23.73 2.67 -5 -10 17 23.34 4.11 4 10 -17 41.80 3.94 -4 -10 17 44.67 4.60 3 10 -17 18.52 2.28 -3 -10 17 14.81 3.53 2 10 -17 2.38 1.84 -2 -10 17 -0.39 2.81 1 10 -17 -1.12 1.93 -1 -10 17 2.96 2.03 -1 -10 17 -2.17 2.70 0 -10 17 15.81 3.17 0 -10 17 18.09 3.33 -1 10 -17 58.50 4.12 1 -10 17 64.69 5.60 1 -10 17 61.96 4.73 -2 10 -17 13.96 2.28 2 -10 17 20.11 3.45 2 -10 17 16.08 2.83 6 9 -17 0.50 2.26 -6 -9 17 2.71 3.15 5 9 -17 2.67 2.01 -5 -9 17 2.04 2.92 4 9 -17 13.87 2.28 -4 -9 17 15.79 3.37 3 9 -17 41.32 3.70 -3 -9 17 46.15 5.19 2 9 -17 6.28 1.93 -2 -9 17 9.06 2.19 -2 -9 17 9.15 2.92 1 9 -17 6.54 1.95 -1 -9 17 4.88 2.79 -1 -9 17 4.92 2.21 0 9 -17 32.26 3.54 0 -9 17 15.34 2.79 0 -9 17 21.30 2.65 0 -9 17 20.51 3.20 -1 9 -17 0.27 1.76 1 -9 17 1.44 2.26 1 -9 17 -0.99 2.65 1 -9 17 1.24 2.56 -2 9 -17 4.58 1.94 2 -9 17 7.21 2.80 2 -9 17 3.62 2.41 3 -9 17 9.85 3.15 3 -9 17 0.24 2.62 7 8 -17 21.68 2.88 -7 -8 17 26.48 3.94 6 8 -17 0.89 2.16 -6 -8 17 2.02 2.76 5 8 -17 14.40 2.31 -5 -8 17 13.50 3.05 4 8 -17 17.10 2.29 -4 -8 17 18.56 2.37 -4 -8 17 16.71 3.30 3 8 -17 1.69 1.78 -3 -8 17 4.15 2.76 -3 -8 17 6.95 2.26 -3 -8 17 4.46 2.50 2 8 -17 3.14 1.83 -2 -8 17 0.40 2.64 -2 -8 17 5.49 2.26 1 8 -17 0.30 1.66 -1 -8 17 3.55 2.20 -1 -8 17 -2.62 2.31 -1 -8 17 6.43 2.67 0 8 -17 74.12 4.28 0 -8 17 58.67 4.89 0 -8 17 63.55 5.41 0 -8 17 64.39 4.74 -1 8 -17 66.70 4.05 1 -8 17 64.62 4.88 1 -8 17 64.60 5.19 -2 8 -17 1.53 1.74 2 -8 17 5.53 2.75 2 -8 17 -2.77 2.43 -3 8 -17 10.81 2.74 3 -8 17 13.84 3.05 3 -8 17 5.31 2.89 8 7 -17 4.41 2.45 7 7 -17 -2.50 2.24 -7 -7 17 -1.51 2.67 6 7 -17 1.79 2.10 -6 -7 17 0.22 2.51 -6 -7 17 -0.83 2.09 -6 -7 17 -3.12 2.64 5 7 -17 23.72 2.55 -5 -7 17 21.70 3.15 -5 -7 17 16.20 3.24 4 7 -17 49.77 4.04 -4 -7 17 60.46 3.95 -4 -7 17 51.75 4.30 -4 -7 17 65.93 5.22 3 7 -17 56.12 3.83 -3 -7 17 59.23 4.55 -3 -7 17 44.97 3.69 -3 -7 17 44.17 4.21 -3 -7 17 60.85 5.13 2 7 -17 9.08 1.92 -2 -7 17 11.72 2.36 -2 -7 17 8.85 2.12 -2 -7 17 10.59 2.59 -2 -7 17 10.80 2.95 1 7 -17 3.41 1.70 -1 -7 17 2.09 2.22 -1 -7 17 6.00 2.63 0 7 -17 1.57 1.68 0 -7 17 7.61 2.68 0 -7 17 -1.73 2.19 -1 7 -17 26.43 3.06 1 -7 17 19.19 3.09 1 -7 17 19.56 2.89 -2 7 -17 12.10 2.08 2 -7 17 8.52 2.81 2 -7 17 15.54 2.70 -3 7 -17 1.70 1.99 3 -7 17 2.96 2.62 3 -7 17 2.84 2.61 8 6 -17 51.63 4.70 -8 -6 17 53.95 5.46 7 6 -17 25.18 2.90 -7 -6 17 26.22 2.83 -7 -6 17 23.13 2.67 -7 -6 17 28.44 3.51 6 6 -17 1.27 2.04 -6 -6 17 -1.63 1.94 -6 -6 17 1.31 2.62 -6 -6 17 0.24 2.14 5 6 -17 -0.02 1.83 -5 -6 17 -0.46 2.32 -5 -6 17 3.89 2.51 -5 -6 17 0.43 2.06 -5 -6 17 0.71 2.10 4 6 -17 11.12 2.14 -4 -6 17 15.83 2.89 -4 -6 17 11.68 2.36 -4 -6 17 14.76 2.56 3 6 -17 49.16 3.67 -3 -6 17 41.47 4.14 -3 -6 17 54.10 4.63 -3 -6 17 40.24 4.42 2 6 -17 5.76 1.78 -2 -6 17 4.35 2.21 -2 -6 17 -0.02 1.99 -2 -6 17 7.71 2.49 1 6 -17 12.73 1.94 -1 -6 17 14.16 2.79 -1 -6 17 7.78 2.16 -1 -6 17 10.25 2.38 0 6 -17 55.88 3.79 0 -6 17 54.01 4.89 0 -6 17 50.64 4.44 -1 6 -17 11.82 2.01 1 -6 17 14.87 2.80 1 -6 17 14.57 2.73 -2 6 -17 2.45 1.83 2 -6 17 -0.16 2.29 2 -6 17 2.98 2.50 -3 6 -17 2.14 1.94 3 -6 17 3.47 2.66 3 -6 17 -2.69 2.51 9 5 -17 1.14 2.83 8 5 -17 3.34 2.37 -8 -5 17 4.90 2.41 -8 -5 17 5.44 2.76 7 5 -17 34.91 4.03 -7 -5 17 29.76 3.17 -7 -5 17 30.08 2.93 -7 -5 17 35.64 4.65 6 5 -17 3.59 2.16 -6 -5 17 9.69 2.32 -6 -5 17 6.84 2.69 -6 -5 17 10.69 2.70 -6 -5 17 8.42 2.28 5 5 -17 3.61 1.94 -5 -5 17 2.00 2.10 -5 -5 17 3.20 2.56 -5 -5 17 5.30 2.14 -5 -5 17 7.97 2.45 4 5 -17 19.33 2.36 -4 -5 17 17.23 2.51 -4 -5 17 21.28 3.03 -4 -5 17 16.60 2.41 3 5 -17 9.43 1.88 -3 -5 17 7.04 2.18 -3 -5 17 8.72 2.45 -3 -5 17 7.02 2.13 2 5 -17 -0.92 1.58 -2 -5 17 2.32 2.09 -2 -5 17 -0.62 2.02 -2 -5 17 -3.64 2.17 1 5 -17 2.27 1.65 -1 -5 17 1.38 2.08 -1 -5 17 1.74 2.09 -1 -5 17 4.68 2.32 0 5 -17 56.37 3.79 0 -5 17 49.44 4.58 0 -5 17 50.36 4.18 0 -5 17 39.08 4.26 -1 5 -17 86.33 4.61 1 -5 17 83.02 5.07 1 -5 17 93.74 5.48 1 -5 17 82.17 5.26 -2 5 -17 21.77 2.40 2 -5 17 21.75 3.03 2 -5 17 20.33 3.39 2 -5 17 16.37 2.76 -3 5 -17 0.65 1.95 3 -5 17 -2.99 2.40 3 -5 17 1.06 2.50 -9 -4 17 26.52 2.98 8 4 -17 20.39 2.88 -8 -4 17 24.00 3.26 -8 -4 17 20.23 2.69 7 4 -17 -3.46 2.00 -7 -4 17 0.02 2.09 -7 -4 17 2.75 2.46 6 4 -17 1.41 1.97 -6 -4 17 4.60 2.40 -6 -4 17 -0.09 2.05 5 4 -17 7.69 1.99 -5 -4 17 7.52 3.08 -5 -4 17 5.60 2.20 -5 -4 17 10.49 2.41 4 4 -17 56.25 3.85 -4 -4 17 42.63 3.94 -4 -4 17 43.64 4.11 -4 -4 17 54.28 4.37 3 4 -17 51.62 3.63 -3 -4 17 39.55 4.01 -3 -4 17 42.04 3.92 -3 -4 17 49.74 4.33 2 4 -17 7.09 1.88 -2 -4 17 5.80 2.23 -2 -4 17 4.93 1.95 -2 -4 17 6.37 2.31 1 4 -17 1.86 1.76 -1 -4 17 5.31 2.38 -1 -4 17 3.64 2.16 -1 -4 17 3.88 2.05 0 4 -17 2.71 1.72 0 -4 17 2.44 2.26 0 -4 17 2.90 2.15 0 -4 17 2.84 2.28 -1 4 -17 15.47 2.17 1 -4 17 24.11 2.95 1 -4 17 16.80 2.63 1 -4 17 18.05 3.10 -2 4 -17 24.98 2.60 2 -4 17 38.58 4.33 2 -4 17 22.33 2.94 -3 4 -17 1.22 2.05 3 -4 17 1.13 2.50 -9 -3 17 4.28 2.43 8 3 -17 64.89 4.77 -8 -3 17 83.34 5.24 -8 -3 17 65.86 4.75 7 3 -17 58.06 4.36 -7 -3 17 57.85 4.33 -7 -3 17 65.64 4.75 6 3 -17 2.57 2.03 -6 -3 17 3.47 2.16 -6 -3 17 6.42 2.24 5 3 -17 6.63 2.11 -5 -3 17 9.73 2.20 -5 -3 17 10.05 2.27 4 3 -17 -1.15 1.78 -4 -3 17 0.55 1.95 -4 -3 17 -0.37 2.11 3 3 -17 16.83 2.14 -3 -3 17 19.33 2.63 -3 -3 17 16.50 2.40 2 3 -17 15.30 2.12 -2 -3 17 17.00 2.64 -2 -3 17 10.71 2.33 1 3 -17 2.79 1.79 -1 -3 17 3.45 2.26 -1 -3 17 2.40 2.10 0 3 -17 22.01 2.38 0 -3 17 18.06 2.59 0 -3 17 18.38 2.73 -1 3 -17 21.66 2.51 1 -3 17 23.04 2.73 1 -3 17 29.85 3.97 -2 3 -17 0.23 1.91 2 -3 17 2.00 2.29 2 -3 17 2.85 2.48 8 2 -17 0.86 2.83 -8 -2 17 5.59 2.53 -8 -2 17 0.73 2.23 7 2 -17 34.17 3.88 -7 -2 17 23.87 2.70 -7 -2 17 30.55 4.06 6 2 -17 11.64 2.30 -6 -2 17 9.07 2.39 -6 -2 17 10.27 2.26 5 2 -17 7.39 2.06 -5 -2 17 13.64 2.46 -5 -2 17 11.94 2.30 4 2 -17 29.24 3.46 -4 -2 17 29.50 2.81 3 2 -17 20.04 2.35 -3 -2 17 20.69 2.52 -3 -2 17 23.46 2.69 2 2 -17 0.06 1.86 -2 -2 17 0.20 1.99 -2 -2 17 0.42 2.06 1 2 -17 1.70 1.89 -1 -2 17 -0.93 2.00 -1 -2 17 -0.09 2.20 0 2 -17 16.70 2.31 0 -2 17 16.67 2.52 0 -2 17 19.28 2.71 -1 2 -17 45.17 3.93 1 -2 17 32.46 3.14 1 -2 17 43.15 4.34 -8 -1 17 28.68 2.98 7 1 -17 14.44 2.61 -7 -1 17 16.27 2.71 -7 -1 17 10.53 2.36 6 1 -17 3.86 2.08 -6 -1 17 -2.31 2.14 -6 -1 17 1.69 2.09 5 1 -17 -2.64 2.07 -5 -1 17 0.80 2.01 -5 -1 17 0.08 2.15 4 1 -17 34.08 3.69 -4 -1 17 24.21 2.77 -4 -1 17 20.34 2.61 3 1 -17 51.76 4.15 -3 -1 17 52.35 4.14 -3 -1 17 57.85 4.20 2 1 -17 33.41 3.73 -2 -1 17 34.75 3.90 -2 -1 17 34.47 4.00 1 1 -17 4.42 2.04 -1 -1 17 1.94 2.10 -1 -1 17 1.51 2.24 0 1 -17 3.12 2.01 0 -1 17 4.09 2.30 0 -1 17 7.26 2.50 7 0 -17 43.00 5.26 -7 0 17 36.53 4.21 -7 0 17 41.57 4.14 6 0 -17 10.74 2.50 -6 0 17 8.55 2.42 -6 0 17 9.71 2.51 5 0 -17 1.44 2.14 -5 0 17 2.27 2.22 -5 0 17 1.45 2.16 4 0 -17 2.40 2.12 -4 0 17 0.38 2.18 -4 0 17 1.75 2.15 3 0 -17 -0.53 2.04 -3 0 17 5.03 2.28 -3 0 17 -0.96 2.18 2 0 -17 7.91 2.27 -2 0 17 4.15 2.17 -2 0 17 10.85 2.42 1 0 -17 4.48 2.22 -1 0 17 4.13 2.32 2 9 -18 3.76 2.44 -2 -9 18 2.35 3.21 4 8 -18 48.99 4.30 -4 -8 18 52.98 6.00 -4 -8 18 47.52 4.89 3 8 -18 12.47 2.23 -3 -8 18 16.20 3.39 -3 -8 18 10.14 2.72 2 8 -18 -0.19 1.97 -2 -8 18 2.21 3.06 -2 -8 18 3.73 2.67 1 8 -18 3.31 2.51 -1 -8 18 3.70 2.95 -1 -8 18 3.92 2.66 0 -8 18 42.61 4.91 0 -8 18 32.23 3.94 5 7 -18 1.14 2.24 -5 -7 18 3.32 2.51 -5 -7 18 4.93 3.02 4 7 -18 49.59 4.33 -4 -7 18 65.52 5.49 -4 -7 18 46.81 4.87 3 7 -18 93.45 5.00 -3 -7 18 78.94 5.54 -3 -7 18 88.11 6.36 2 7 -18 13.15 2.22 -2 -7 18 6.06 2.69 -2 -7 18 14.14 3.18 1 7 -18 19.04 2.84 -1 -7 18 18.27 3.36 -1 -7 18 15.59 2.92 0 -7 18 19.50 3.29 0 -7 18 17.10 2.98 -6 -6 18 1.91 2.88 5 6 -18 2.84 2.31 -5 -6 18 8.45 2.92 -5 -6 18 1.49 2.53 4 6 -18 -0.32 2.07 -4 -6 18 0.03 2.46 -4 -6 18 1.48 2.66 3 6 -18 13.25 2.17 -3 -6 18 2.20 2.54 -3 -6 18 10.13 2.94 2 6 -18 8.49 2.06 -2 -6 18 8.64 2.76 -2 -6 18 3.39 2.75 1 6 -18 9.13 2.41 -1 -6 18 3.88 2.62 -1 -6 18 4.07 2.88 0 -6 18 41.87 4.89 0 -6 18 55.47 5.43 -6 -5 18 2.35 2.86 -6 -5 18 -1.05 2.35 5 5 -18 14.27 2.79 -5 -5 18 10.24 2.54 -5 -5 18 14.56 3.04 4 5 -18 57.14 4.29 -4 -5 18 48.35 5.04 -4 -5 18 47.87 4.52 3 5 -18 36.83 3.65 -3 -5 18 29.88 3.37 -3 -5 18 25.81 3.02 -3 -5 18 25.94 4.39 2 5 -18 0.94 2.04 -2 -5 18 1.68 2.64 -2 -5 18 -1.61 2.31 1 5 -18 1.17 2.46 -1 -5 18 4.43 2.69 -1 -5 18 -2.32 2.37 0 -5 18 22.11 3.30 0 -5 18 14.16 2.81 -6 -4 18 -2.83 2.32 -6 -4 18 5.41 2.53 -5 -4 18 -1.05 2.35 -5 -4 18 -1.04 2.51 4 4 -18 12.59 2.56 -4 -4 18 13.30 2.95 -4 -4 18 10.14 2.55 3 4 -18 18.54 2.61 -3 -4 18 11.34 2.52 -3 -4 18 20.53 3.08 2 4 -18 8.07 2.20 -2 -4 18 6.85 2.71 -2 -4 18 5.49 2.45 -1 -4 18 7.04 2.42 -1 -4 18 8.10 2.80 -5 -3 18 6.10 2.43 -5 -3 18 8.58 2.74 -4 -3 18 21.94 2.95 -4 -3 18 10.59 2.59 -3 -3 18 1.67 2.58 -3 -3 18 -1.53 2.27 -2 -3 18 1.95 2.64 -2 -3 18 2.85 2.37 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 17413 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 Au1 Au 0.30581(2) 0.69123(2) 0.56613(2) 0.01513(4) Uani 1 1 d . . . . . Au2 Au 0.45657(2) 1.32427(2) 0.39046(2) 0.01367(4) Uani 1 1 d . . . . . P1 P 0.24916(7) 0.71872(8) 0.41515(8) 0.01412(18) Uani 1 1 d . . . . . P2 P 0.31838(7) 1.16490(8) 0.31337(8) 0.01349(18) Uani 1 1 d . . . . . S1 S 0.39304(7) 0.52134(7) 0.56659(7) 0.01475(18) Uani 1 1 d . . . . . S2 S 0.31539(8) 0.72368(8) 0.74527(8) 0.01874(19) Uani 1 1 d . . . . . C1 C 0.3925(3) 0.5285(3) 0.6973(3) 0.0152(7) Uani 1 1 d . . . . . C2 C 0.4210(3) 0.4421(3) 0.7253(3) 0.0199(8) Uani 1 1 d . . . . . H2 H 0.436383 0.381822 0.673763 0.024 Uiso 1 1 calc R U . . . C3 C 0.4271(3) 0.4426(4) 0.8262(3) 0.0242(9) Uani 1 1 d . . . . . H3 H 0.445657 0.382717 0.843722 0.029 Uiso 1 1 calc R U . . . C4 C 0.4061(3) 0.5313(4) 0.9017(3) 0.0249(9) Uani 1 1 d . . . . . H4 H 0.412869 0.533698 0.972114 0.030 Uiso 1 1 calc R U . . . C5 C 0.3753(3) 0.6162(4) 0.8749(3) 0.0219(8) Uani 1 1 d . . . . . H5 H 0.361094 0.676310 0.927640 0.026 Uiso 1 1 calc R U . . . C6 C 0.3645(3) 0.6160(3) 0.7716(3) 0.0167(7) Uani 1 1 d . . . . . C7 C 0.2936(3) 0.8619(3) 0.4186(3) 0.0134(7) Uani 1 1 d . . . . . C8 C 0.3851(3) 0.8951(3) 0.3811(3) 0.0147(7) Uani 1 1 d . . . . . C9 C 0.4671(3) 0.8349(3) 0.3683(3) 0.0170(7) Uani 1 1 d . . . . . H9 H 0.461325 0.770477 0.386862 0.020 Uiso 1 1 calc R U . . . C10 C 0.5532(3) 0.8676(3) 0.3301(3) 0.0194(8) Uani 1 1 d . . . . . H10 H 0.606156 0.825614 0.321824 0.023 Uiso 1 1 calc R U . . . C11 C 0.5646(3) 0.9631(3) 0.3026(3) 0.0195(8) Uani 1 1 d . . . . . H11 H 0.624338 0.984489 0.274809 0.023 Uiso 1 1 calc R U . . . C12 C 0.4898(3) 1.0254(3) 0.3158(3) 0.0167(7) Uani 1 1 d . . . . . H12 H 0.499047 1.090179 0.297673 0.020 Uiso 1 1 calc R U . . . C13 C 0.3988(3) 0.9956(3) 0.3560(3) 0.0148(7) Uani 1 1 d . . . . . C14 C 0.3222(3) 1.0607(3) 0.3755(3) 0.0154(7) Uani 1 1 d . . . . . C15 C 0.2531(3) 1.0448(3) 0.4412(3) 0.0144(7) Uani 1 1 d . . . . . C16 C 0.2027(3) 1.1285(3) 0.4940(3) 0.0180(8) Uani 1 1 d . . . . . H16 H 0.214527 1.197704 0.483456 0.022 Uiso 1 1 calc R U . . . C17 C 0.1384(3) 1.1114(3) 0.5591(3) 0.0214(8) Uani 1 1 d . . . . . H17 H 0.106545 1.168822 0.593640 0.026 Uiso 1 1 calc R U . . . C18 C 0.1186(3) 1.0090(3) 0.5758(3) 0.0201(8) Uani 1 1 d . . . . . H18 H 0.072570 0.997304 0.620477 0.024 Uiso 1 1 calc R U . . . C19 C 0.1658(3) 0.9265(3) 0.5276(3) 0.0172(8) Uani 1 1 d . . . . . H19 H 0.151043 0.857626 0.538673 0.021 Uiso 1 1 calc R U . . . C20 C 0.2365(3) 0.9416(3) 0.4613(3) 0.0150(7) Uani 1 1 d . . . . . C1W C 0.1813(3) 1.1867(3) 0.2987(3) 0.0167(7) Uani 1 1 d . . . . . C2W C 0.1734(3) 1.2974(3) 0.3424(3) 0.0221(8) Uani 1 1 d . . . . . H2W H 0.237626 1.357566 0.377239 0.027 Uiso 1 1 calc R U . . . C3W C 0.0702(3) 1.3189(4) 0.3343(4) 0.0277(9) Uani 1 1 d . . . . . H3W H 0.064924 1.393788 0.365018 0.033 Uiso 1 1 calc R U . . . C4W C -0.0235(4) 1.2330(4) 0.2827(4) 0.0317(10) Uani 1 1 d . . . . . H4W H -0.093144 1.248311 0.277283 0.038 Uiso 1 1 calc R U . . . C5W C -0.0150(3) 1.1235(4) 0.2384(4) 0.0298(10) Uani 1 1 d . . . . . H5W H -0.079488 1.063892 0.202369 0.036 Uiso 1 1 calc R U . . . C6W C 0.0865(3) 1.1001(3) 0.2462(3) 0.0238(9) Uani 1 1 d . . . . . H6W H 0.091096 1.024877 0.215632 0.029 Uiso 1 1 calc R U . . . C1X C 0.3254(3) 1.0919(3) 0.1774(3) 0.0164(7) Uani 1 1 d . . . . . C2X C 0.3902(3) 1.1500(3) 0.1315(3) 0.0218(8) Uani 1 1 d . . . . . H2X H 0.428301 1.226714 0.170355 0.026 Uiso 1 1 calc R U . . . C3X C 0.4002(4) 1.0972(4) 0.0292(3) 0.0295(10) Uani 1 1 d . . . . . H3X H 0.445103 1.137667 -0.001306 0.035 Uiso 1 1 calc R U . . . C4X C 0.3444(4) 0.9855(4) -0.0280(4) 0.0320(10) Uani 1 1 d . . . . . H4X H 0.351214 0.949187 -0.097713 0.038 Uiso 1 1 calc R U . . . C5X C 0.2785(4) 0.9264(4) 0.0168(3) 0.0300(10) Uani 1 1 d . . . . . H5X H 0.239861 0.849928 -0.022616 0.036 Uiso 1 1 calc R U . . . C6X C 0.2689(3) 0.9792(3) 0.1195(3) 0.0234(8) Uani 1 1 d . . . . . H6X H 0.224092 0.938669 0.150084 0.028 Uiso 1 1 calc R U . . . C1Y C 0.0994(3) 0.6808(3) 0.3709(3) 0.0156(7) Uani 1 1 d . . . . . C2Y C 0.0475(3) 0.6991(3) 0.2833(3) 0.0225(8) Uani 1 1 d . . . . . H2Y H 0.088930 0.741954 0.252201 0.027 Uiso 1 1 calc R U . . . C3Y C -0.0642(3) 0.6550(4) 0.2413(3) 0.0264(9) Uani 1 1 d . . . . . H3Y H -0.098842 0.665753 0.180306 0.032 Uiso 1 1 calc R U . . . C4Y C -0.1254(3) 0.5951(4) 0.2882(3) 0.0258(9) Uani 1 1 d . . . . . H4Y H -0.202011 0.564573 0.259286 0.031 Uiso 1 1 calc R U . . . C5Y C -0.0753(3) 0.5797(4) 0.3769(3) 0.0251(9) Uani 1 1 d . . . . . H5Y H -0.117742 0.540454 0.410034 0.030 Uiso 1 1 calc R U . . . C6Y C 0.0370(3) 0.6213(3) 0.4178(3) 0.0210(8) Uani 1 1 d . . . . . H6Y H 0.071282 0.609187 0.478082 0.025 Uiso 1 1 calc R U . . . C1Z C 0.2761(3) 0.6274(3) 0.2944(3) 0.0163(7) Uani 1 1 d . . . . . C2Z C 0.2590(3) 0.6451(3) 0.1995(3) 0.0209(8) Uani 1 1 d . . . . . H2Z H 0.243693 0.713055 0.198071 0.025 Uiso 1 1 calc R U . . . C3Z C 0.2643(3) 0.5635(4) 0.1068(3) 0.0257(9) Uani 1 1 d . . . . . H3Z H 0.251668 0.575605 0.042120 0.031 Uiso 1 1 calc R U . . . C4Z C 0.2879(3) 0.4651(3) 0.1083(3) 0.0229(8) Uani 1 1 d . . . . . H4Z H 0.290172 0.409012 0.044567 0.028 Uiso 1 1 calc R U . . . C5Z C 0.3081(3) 0.4485(3) 0.2026(3) 0.0246(9) Uani 1 1 d . . . . . H5Z H 0.325889 0.381586 0.204033 0.029 Uiso 1 1 calc R U . . . C6Z C 0.3025(3) 0.5289(3) 0.2949(3) 0.0196(8) Uani 1 1 d . . . . . H6Z H 0.316824 0.516832 0.359536 0.024 Uiso 1 1 calc R U . . . O1S O 0.0733(3) 0.2429(3) 0.9569(3) 0.0471(9) Uani 1 1 d . . . . . C1S C -0.0392(5) 0.3446(6) 1.0470(6) 0.0667(18) Uani 1 1 d . . . . . H1S1 H 0.009724 0.414584 1.052010 0.100 Uiso 1 1 calc R U . . . H1S2 H -0.070401 0.359009 1.108747 0.100 Uiso 1 1 calc R U . . . H1S3 H -0.098333 0.316544 0.982266 0.100 Uiso 1 1 calc R U . . . C2S C 0.0261(4) 0.2555(6) 1.0435(4) 0.0522(16) Uani 1 1 d . . . . . H2S1 H 0.083695 0.281029 1.110112 0.063 Uiso 1 1 calc R U . . . H2S2 H -0.023123 0.183067 1.034540 0.063 Uiso 1 1 calc R U . . . C3S C 0.1460(5) 0.1733(5) 0.9565(4) 0.0488(14) Uani 1 1 d . . . . . H3S1 H 0.105198 0.096622 0.946297 0.059 Uiso 1 1 calc R U . . . H3S2 H 0.201810 0.204391 1.024916 0.059 Uiso 1 1 calc R U . . . C4S C 0.2016(5) 0.1692(5) 0.8650(4) 0.0487(14) Uani 1 1 d . . . . . H4S1 H 0.146009 0.135659 0.797524 0.073 Uiso 1 1 calc R U . . . H4S2 H 0.254084 0.123612 0.864637 0.073 Uiso 1 1 calc R U . . . H4S3 H 0.239985 0.245647 0.874809 0.073 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 Au1 0.01459(7) 0.01425(8) 0.01889(8) 0.00993(6) 0.00332(5) 0.00308(5) Au2 0.01311(7) 0.00993(7) 0.01906(8) 0.00733(6) 0.00424(5) 0.00185(5) P1 0.0136(4) 0.0118(4) 0.0197(5) 0.0094(4) 0.0043(4) 0.0031(3) P2 0.0127(4) 0.0093(4) 0.0193(5) 0.0071(4) 0.0038(4) 0.0019(3) S1 0.0153(4) 0.0112(4) 0.0183(5) 0.0066(4) 0.0052(3) 0.0018(3) S2 0.0210(5) 0.0184(5) 0.0203(5) 0.0088(4) 0.0066(4) 0.0087(4) C1 0.0131(17) 0.0162(18) 0.0175(19) 0.0103(15) 0.0026(14) 0.0003(14) C2 0.0148(18) 0.0152(19) 0.030(2) 0.0115(17) 0.0027(16) 0.0019(15) C3 0.0191(19) 0.029(2) 0.033(2) 0.0213(19) 0.0050(17) 0.0088(17) C4 0.0188(19) 0.036(2) 0.026(2) 0.0219(19) 0.0033(16) 0.0038(17) C5 0.0195(19) 0.024(2) 0.022(2) 0.0091(17) 0.0057(16) 0.0044(16) C6 0.0126(17) 0.0198(19) 0.0188(19) 0.0105(16) 0.0026(14) 0.0019(14) C7 0.0136(16) 0.0121(17) 0.0158(18) 0.0079(14) 0.0027(14) 0.0022(14) C8 0.0120(16) 0.0119(17) 0.0205(19) 0.0085(15) 0.0011(14) 0.0025(13) C9 0.0155(17) 0.0109(17) 0.023(2) 0.0072(15) -0.0003(15) 0.0027(14) C10 0.0140(17) 0.0160(19) 0.028(2) 0.0076(16) 0.0040(15) 0.0060(15) C11 0.0156(18) 0.021(2) 0.024(2) 0.0105(17) 0.0059(15) 0.0041(15) C12 0.0148(17) 0.0121(17) 0.024(2) 0.0097(15) 0.0027(15) 0.0004(14) C13 0.0109(16) 0.0099(17) 0.0205(19) 0.0047(15) -0.0004(14) 0.0013(13) C14 0.0137(17) 0.0102(17) 0.023(2) 0.0089(15) 0.0009(14) 0.0017(14) C15 0.0125(16) 0.0117(17) 0.0176(18) 0.0065(15) 0.0007(14) 0.0010(14) C16 0.0192(18) 0.0147(18) 0.022(2) 0.0083(16) 0.0030(15) 0.0066(15) C17 0.0213(19) 0.017(2) 0.026(2) 0.0053(17) 0.0084(16) 0.0091(16) C18 0.0183(19) 0.023(2) 0.019(2) 0.0081(16) 0.0080(15) 0.0033(16) C19 0.0161(18) 0.0147(18) 0.022(2) 0.0092(16) 0.0042(15) 0.0013(14) C20 0.0126(17) 0.0133(18) 0.0189(19) 0.0072(15) 0.0041(14) 0.0006(14) C1W 0.0153(17) 0.0171(19) 0.0206(19) 0.0105(16) 0.0043(15) 0.0050(14) C2W 0.028(2) 0.020(2) 0.023(2) 0.0118(17) 0.0082(17) 0.0104(17) C3W 0.028(2) 0.026(2) 0.036(3) 0.015(2) 0.0110(19) 0.0150(18) C4W 0.023(2) 0.042(3) 0.040(3) 0.022(2) 0.0115(19) 0.016(2) C5W 0.018(2) 0.032(3) 0.037(3) 0.016(2) 0.0034(18) -0.0012(18) C6W 0.022(2) 0.019(2) 0.029(2) 0.0096(18) 0.0038(17) 0.0031(16) C1X 0.0179(18) 0.0147(18) 0.0155(18) 0.0041(15) 0.0018(14) 0.0068(15) C2X 0.024(2) 0.020(2) 0.024(2) 0.0106(17) 0.0072(16) 0.0059(16) C3X 0.034(2) 0.032(2) 0.026(2) 0.011(2) 0.0131(19) 0.011(2) C4X 0.040(3) 0.032(3) 0.025(2) 0.005(2) 0.0126(19) 0.016(2) C5X 0.036(2) 0.020(2) 0.030(2) 0.0049(18) 0.0039(19) 0.0098(19) C6X 0.023(2) 0.017(2) 0.029(2) 0.0093(17) 0.0045(17) 0.0042(16) C1Y 0.0135(17) 0.0117(17) 0.0207(19) 0.0064(15) 0.0028(14) 0.0021(14) C2Y 0.0200(19) 0.026(2) 0.028(2) 0.0165(18) 0.0079(16) 0.0063(16) C3Y 0.021(2) 0.030(2) 0.027(2) 0.0107(19) 0.0030(17) 0.0084(18) C4Y 0.0151(19) 0.025(2) 0.035(2) 0.0104(19) 0.0038(17) 0.0026(16) C5Y 0.0185(19) 0.024(2) 0.034(2) 0.0133(19) 0.0103(17) 0.0005(16) C6Y 0.023(2) 0.0160(19) 0.029(2) 0.0127(17) 0.0091(17) 0.0061(16) C1Z 0.0135(17) 0.0135(18) 0.022(2) 0.0079(15) 0.0036(14) 0.0027(14) C2Z 0.0227(19) 0.022(2) 0.022(2) 0.0098(17) 0.0084(16) 0.0087(16) C3Z 0.026(2) 0.031(2) 0.023(2) 0.0140(19) 0.0065(17) 0.0091(18) C4Z 0.022(2) 0.017(2) 0.026(2) 0.0040(17) 0.0083(17) 0.0038(16) C5Z 0.029(2) 0.0145(19) 0.032(2) 0.0083(17) 0.0084(18) 0.0088(17) C6Z 0.0206(19) 0.018(2) 0.024(2) 0.0125(17) 0.0061(16) 0.0046(15) O1S 0.054(2) 0.049(2) 0.039(2) 0.0208(18) 0.0036(17) 0.0121(19) C1S 0.063(4) 0.072(5) 0.082(5) 0.042(4) 0.026(4) 0.026(4) C2S 0.030(3) 0.086(5) 0.033(3) 0.031(3) 0.001(2) -0.011(3) C3S 0.064(4) 0.034(3) 0.040(3) 0.011(2) -0.002(3) 0.014(3) C4S 0.075(4) 0.034(3) 0.034(3) 0.009(2) 0.006(3) 0.022(3) 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' Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 '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' O O 0.0106 0.0060 '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 P1 Au1 S2 152.68(3) . . ? P1 Au1 S1 121.43(3) . . ? S2 Au1 S1 85.26(3) . . ? P1 Au1 Au2 114.33(2) . 2_676 ? S2 Au1 Au2 87.32(2) . 2_676 ? S1 Au1 Au2 47.604(19) . 2_676 ? P2 Au2 S1 167.48(3) . 2_676 ? P2 Au2 Au1 119.70(2) . 2_676 ? S1 Au2 Au1 57.18(2) 2_676 2_676 ? C7 P1 C1Z 105.59(16) . . ? C7 P1 C1Y 104.84(16) . . ? C1Z P1 C1Y 98.13(17) . . ? C7 P1 Au1 116.74(12) . . ? C1Z P1 Au1 117.37(12) . . ? C1Y P1 Au1 111.93(12) . . ? C1W P2 C1X 104.04(17) . . ? C1W P2 C14 107.76(16) . . ? C1X P2 C14 104.59(17) . . ? C1W P2 Au2 114.89(13) . . ? C1X P2 Au2 109.35(13) . . ? C14 P2 Au2 115.15(12) . . ? C1 S1 Au2 98.06(12) . 2_676 ? C1 S1 Au1 99.12(12) . . ? Au2 S1 Au1 75.22(3) 2_676 . ? C6 S2 Au1 106.72(13) . . ? C2 C1 C6 120.0(3) . . ? C2 C1 S1 117.0(3) . . ? C6 C1 S1 123.0(3) . . ? C3 C2 C1 121.3(4) . . ? C3 C2 H2 119.3 . . ? C1 C2 H2 119.3 . . ? C2 C3 C4 119.4(4) . . ? C2 C3 H3 120.3 . . ? C4 C3 H3 120.3 . . ? C5 C4 C3 120.1(4) . . ? C5 C4 H4 119.9 . . ? C3 C4 H4 119.9 . . ? C4 C5 C6 121.9(4) . . ? C4 C5 H5 119.1 . . ? C6 C5 H5 119.1 . . ? C5 C6 C1 117.2(3) . . ? C5 C6 S2 117.4(3) . . ? C1 C6 S2 125.4(3) . . ? C8 C7 C20 119.2(3) . . ? C8 C7 P1 121.3(3) . . ? C20 C7 P1 119.4(3) . . ? C7 C8 C9 122.9(3) . . ? C7 C8 C13 119.3(3) . . ? C9 C8 C13 117.8(3) . . ? C10 C9 C8 121.5(3) . . ? C10 C9 H9 119.2 . . ? C8 C9 H9 119.2 . . ? C9 C10 C11 120.6(3) . . ? C9 C10 H10 119.7 . . ? C11 C10 H10 119.7 . . ? C12 C11 C10 120.2(3) . . ? C12 C11 H11 119.9 . . ? C10 C11 H11 119.9 . . ? C11 C12 C13 121.6(3) . . ? C11 C12 H12 119.2 . . ? C13 C12 H12 119.2 . . ? C12 C13 C14 123.3(3) . . ? C12 C13 C8 118.2(3) . . ? C14 C13 C8 118.5(3) . . ? C15 C14 C13 120.0(3) . . ? C15 C14 P2 122.2(3) . . ? C13 C14 P2 117.8(3) . . ? C14 C15 C16 123.1(3) . . ? C14 C15 C20 118.8(3) . . ? C16 C15 C20 118.0(3) . . ? C17 C16 C15 121.6(4) . . ? C17 C16 H16 119.2 . . ? C15 C16 H16 119.2 . . ? C16 C17 C18 120.6(3) . . ? C16 C17 H17 119.7 . . ? C18 C17 H17 119.7 . . ? C19 C18 C17 120.0(4) . . ? C19 C18 H18 120.0 . . ? C17 C18 H18 120.0 . . ? C18 C19 C20 121.6(4) . . ? C18 C19 H19 119.2 . . ? C20 C19 H19 119.2 . . ? C7 C20 C19 122.4(3) . . ? C7 C20 C15 119.4(3) . . ? C19 C20 C15 118.1(3) . . ? C6W C1W C2W 119.4(3) . . ? C6W C1W P2 123.4(3) . . ? C2W C1W P2 117.2(3) . . ? C3W C2W C1W 119.6(4) . . ? C3W C2W H2W 120.2 . . ? C1W C2W H2W 120.2 . . ? C4W C3W C2W 120.9(4) . . ? C4W C3W H3W 119.5 . . ? C2W C3W H3W 119.5 . . ? C3W C4W C5W 119.2(4) . . ? C3W C4W H4W 120.4 . . ? C5W C4W H4W 120.4 . . ? C4W C5W C6W 120.9(4) . . ? C4W C5W H5W 119.5 . . ? C6W C5W H5W 119.5 . . ? C1W C6W C5W 120.0(4) . . ? C1W C6W H6W 120.0 . . ? C5W C6W H6W 120.0 . . ? C2X C1X C6X 119.4(4) . . ? C2X C1X P2 118.7(3) . . ? C6X C1X P2 121.9(3) . . ? C1X C2X C3X 120.8(4) . . ? C1X C2X H2X 119.6 . . ? C3X C2X H2X 119.6 . . ? C4X C3X C2X 119.8(4) . . ? C4X C3X H3X 120.1 . . ? C2X C3X H3X 120.1 . . ? C3X C4X C5X 120.0(4) . . ? C3X C4X H4X 120.0 . . ? C5X C4X H4X 120.0 . . ? C4X C5X C6X 120.1(4) . . ? C4X C5X H5X 119.9 . . ? C6X C5X H5X 119.9 . . ? C5X C6X C1X 119.9(4) . . ? C5X C6X H6X 120.1 . . ? C1X C6X H6X 120.1 . . ? C6Y C1Y C2Y 119.1(3) . . ? C6Y C1Y P1 119.4(3) . . ? C2Y C1Y P1 121.1(3) . . ? C3Y C2Y C1Y 120.3(4) . . ? C3Y C2Y H2Y 119.8 . . ? C1Y C2Y H2Y 119.8 . . ? C2Y C3Y C4Y 120.0(4) . . ? C2Y C3Y H3Y 120.0 . . ? C4Y C3Y H3Y 120.0 . . ? C5Y C4Y C3Y 120.1(4) . . ? C5Y C4Y H4Y 120.0 . . ? C3Y C4Y H4Y 120.0 . . ? C4Y C5Y C6Y 120.3(4) . . ? C4Y C5Y H5Y 119.9 . . ? C6Y C5Y H5Y 119.9 . . ? C5Y C6Y C1Y 120.2(4) . . ? C5Y C6Y H6Y 119.9 . . ? C1Y C6Y H6Y 119.9 . . ? C6Z C1Z C2Z 118.6(4) . . ? C6Z C1Z P1 117.8(3) . . ? C2Z C1Z P1 123.1(3) . . ? C3Z C2Z C1Z 120.2(4) . . ? C3Z C2Z H2Z 119.9 . . ? C1Z C2Z H2Z 119.9 . . ? C4Z C3Z C2Z 120.4(4) . . ? C4Z C3Z H3Z 119.8 . . ? C2Z C3Z H3Z 119.8 . . ? C5Z C4Z C3Z 119.7(4) . . ? C5Z C4Z H4Z 120.1 . . ? C3Z C4Z H4Z 120.1 . . ? C4Z C5Z C6Z 120.3(4) . . ? C4Z C5Z H5Z 119.9 . . ? C6Z C5Z H5Z 119.9 . . ? C5Z C6Z C1Z 120.8(4) . . ? C5Z C6Z H6Z 119.6 . . ? C1Z C6Z H6Z 119.6 . . ? C2S O1S C3S 110.1(4) . . ? C2S C1S H1S1 109.5 . . ? C2S C1S H1S2 109.5 . . ? H1S1 C1S H1S2 109.5 . . ? C2S C1S H1S3 109.5 . . ? H1S1 C1S H1S3 109.5 . . ? H1S2 C1S H1S3 109.5 . . ? O1S C2S C1S 106.8(5) . . ? O1S C2S H2S1 110.4 . . ? C1S C2S H2S1 110.4 . . ? O1S C2S H2S2 110.4 . . ? C1S C2S H2S2 110.4 . . ? H2S1 C2S H2S2 108.6 . . ? O1S C3S C4S 108.0(4) . . ? O1S C3S H3S1 110.1 . . ? C4S C3S H3S1 110.1 . . ? O1S C3S H3S2 110.1 . . ? C4S C3S H3S2 110.1 . . ? H3S1 C3S H3S2 108.4 . . ? C3S C4S H4S1 109.5 . . ? C3S C4S H4S2 109.5 . . ? H4S1 C4S H4S2 109.5 . . ? C3S C4S H4S3 109.5 . . ? H4S1 C4S H4S3 109.5 . . ? H4S2 C4S H4S3 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 Au1 P1 2.2550(10) . ? Au1 S2 2.3445(10) . ? Au1 S1 2.6694(9) . ? Au1 Au2 3.0713(2) 2_676 ? Au2 P2 2.2637(9) . ? Au2 S1 2.3458(9) 2_676 ? P1 C7 1.830(4) . ? P1 C1Z 1.833(4) . ? P1 C1Y 1.836(4) . ? P2 C1W 1.827(4) . ? P2 C1X 1.831(4) . ? P2 C14 1.834(4) . ? S1 C1 1.777(4) . ? S2 C6 1.761(4) . ? C1 C2 1.396(5) . ? C1 C6 1.412(5) . ? C2 C3 1.380(6) . ? C2 H2 0.9500 . ? C3 C4 1.384(6) . ? C3 H3 0.9500 . ? C4 C5 1.382(6) . ? C4 H4 0.9500 . ? C5 C6 1.409(5) . ? C5 H5 0.9500 . ? C7 C8 1.414(5) . ? C7 C20 1.414(5) . ? C8 C9 1.430(5) . ? C8 C13 1.450(5) . ? C9 C10 1.360(5) . ? C9 H9 0.9500 . ? C10 C11 1.407(5) . ? C10 H10 0.9500 . ? C11 C12 1.370(5) . ? C11 H11 0.9500 . ? C12 C13 1.419(5) . ? C12 H12 0.9500 . ? C13 C14 1.421(5) . ? C14 C15 1.407(5) . ? C15 C16 1.431(5) . ? C15 C20 1.448(5) . ? C16 C17 1.360(5) . ? C16 H16 0.9500 . ? C17 C18 1.414(6) . ? C17 H17 0.9500 . ? C18 C19 1.372(5) . ? C18 H18 0.9500 . ? C19 C20 1.425(5) . ? C19 H19 0.9500 . ? C1W C6W 1.390(5) . ? C1W C2W 1.401(5) . ? C2W C3W 1.401(5) . ? C2W H2W 0.9500 . ? C3W C4W 1.374(6) . ? C3W H3W 0.9500 . ? C4W C5W 1.391(6) . ? C4W H4W 0.9500 . ? C5W C6W 1.391(6) . ? C5W H5W 0.9500 . ? C6W H6W 0.9500 . ? C1X C2X 1.387(5) . ? C1X C6X 1.399(5) . ? C2X C3X 1.392(6) . ? C2X H2X 0.9500 . ? C3X C4X 1.386(6) . ? C3X H3X 0.9500 . ? C4X C5X 1.392(6) . ? C4X H4X 0.9500 . ? C5X C6X 1.395(6) . ? C5X H5X 0.9500 . ? C6X H6X 0.9500 . ? C1Y C6Y 1.391(5) . ? C1Y C2Y 1.395(5) . ? C2Y C3Y 1.384(6) . ? C2Y H2Y 0.9500 . ? C3Y C4Y 1.387(6) . ? C3Y H3Y 0.9500 . ? C4Y C5Y 1.378(6) . ? C4Y H4Y 0.9500 . ? C5Y C6Y 1.387(5) . ? C5Y H5Y 0.9500 . ? C6Y H6Y 0.9500 . ? C1Z C6Z 1.392(5) . ? C1Z C2Z 1.393(5) . ? C2Z C3Z 1.391(6) . ? C2Z H2Z 0.9500 . ? C3Z C4Z 1.380(6) . ? C3Z H3Z 0.9500 . ? C4Z C5Z 1.379(6) . ? C4Z H4Z 0.9500 . ? C5Z C6Z 1.382(6) . ? C5Z H5Z 0.9500 . ? C6Z H6Z 0.9500 . ? O1S C2S 1.405(6) . ? O1S C3S 1.421(6) . ? C1S C2S 1.552(9) . ? C1S H1S1 0.9800 . ? C1S H1S2 0.9800 . ? C1S H1S3 0.9800 . ? C2S H2S1 0.9900 . ? C2S H2S2 0.9900 . ? C3S C4S 1.543(8) . ? C3S H3S1 0.9900 . ? C3S H3S2 0.9900 . ? C4S H4S1 0.9800 . ? C4S H4S2 0.9800 . ? C4S H4S3 0.9800 . ? 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 _geom_torsion_publ_flag Au2 S1 C1 C2 -111.3(3) 2_676 . . . ? Au1 S1 C1 C2 172.4(3) . . . . ? Au2 S1 C1 C6 69.0(3) 2_676 . . . ? Au1 S1 C1 C6 -7.2(3) . . . . ? C6 C1 C2 C3 -2.9(5) . . . . ? S1 C1 C2 C3 177.4(3) . . . . ? C1 C2 C3 C4 -0.9(6) . . . . ? C2 C3 C4 C5 2.4(6) . . . . ? C3 C4 C5 C6 -0.1(6) . . . . ? C4 C5 C6 C1 -3.6(6) . . . . ? C4 C5 C6 S2 175.6(3) . . . . ? C2 C1 C6 C5 5.0(5) . . . . ? S1 C1 C6 C5 -175.4(3) . . . . ? C2 C1 C6 S2 -174.1(3) . . . . ? S1 C1 C6 S2 5.6(5) . . . . ? Au1 S2 C6 C5 -178.8(3) . . . . ? Au1 S2 C6 C1 0.3(3) . . . . ? C1Z P1 C7 C8 -35.0(3) . . . . ? C1Y P1 C7 C8 -138.0(3) . . . . ? Au1 P1 C7 C8 97.5(3) . . . . ? C1Z P1 C7 C20 146.2(3) . . . . ? C1Y P1 C7 C20 43.1(3) . . . . ? Au1 P1 C7 C20 -81.4(3) . . . . ? C20 C7 C8 C9 159.6(4) . . . . ? P1 C7 C8 C9 -19.2(5) . . . . ? C20 C7 C8 C13 -19.2(5) . . . . ? P1 C7 C8 C13 162.0(3) . . . . ? C7 C8 C9 C10 178.7(4) . . . . ? C13 C8 C9 C10 -2.4(5) . . . . ? C8 C9 C10 C11 0.5(6) . . . . ? C9 C10 C11 C12 1.1(6) . . . . ? C10 C11 C12 C13 -0.7(6) . . . . ? C11 C12 C13 C14 177.0(4) . . . . ? C11 C12 C13 C8 -1.3(5) . . . . ? C7 C8 C13 C12 -178.4(3) . . . . ? C9 C8 C13 C12 2.8(5) . . . . ? C7 C8 C13 C14 3.3(5) . . . . ? C9 C8 C13 C14 -175.6(3) . . . . ? C12 C13 C14 C15 -162.5(4) . . . . ? C8 C13 C14 C15 15.8(5) . . . . ? C12 C13 C14 P2 17.1(5) . . . . ? C8 C13 C14 P2 -164.6(3) . . . . ? C1W P2 C14 C15 -26.3(4) . . . . ? C1X P2 C14 C15 -136.6(3) . . . . ? Au2 P2 C14 C15 103.4(3) . . . . ? C1W P2 C14 C13 154.1(3) . . . . ? C1X P2 C14 C13 43.9(3) . . . . ? Au2 P2 C14 C13 -76.2(3) . . . . ? C13 C14 C15 C16 157.6(3) . . . . ? P2 C14 C15 C16 -22.0(5) . . . . ? C13 C14 C15 C20 -18.8(5) . . . . ? P2 C14 C15 C20 161.6(3) . . . . ? C14 C15 C16 C17 -178.3(4) . . . . ? C20 C15 C16 C17 -1.9(5) . . . . ? C15 C16 C17 C18 -0.5(6) . . . . ? C16 C17 C18 C19 1.1(6) . . . . ? C17 C18 C19 C20 0.9(6) . . . . ? C8 C7 C20 C19 -161.3(3) . . . . ? P1 C7 C20 C19 17.6(5) . . . . ? C8 C7 C20 C15 16.2(5) . . . . ? P1 C7 C20 C15 -164.9(3) . . . . ? C18 C19 C20 C7 174.2(4) . . . . ? C18 C19 C20 C15 -3.3(5) . . . . ? C14 C15 C20 C7 2.7(5) . . . . ? C16 C15 C20 C7 -173.9(3) . . . . ? C14 C15 C20 C19 -179.7(3) . . . . ? C16 C15 C20 C19 3.7(5) . . . . ? C1X P2 C1W C6W 55.4(4) . . . . ? C14 P2 C1W C6W -55.2(4) . . . . ? Au2 P2 C1W C6W 174.9(3) . . . . ? C1X P2 C1W C2W -123.9(3) . . . . ? C14 P2 C1W C2W 125.4(3) . . . . ? Au2 P2 C1W C2W -4.4(3) . . . . ? C6W C1W C2W C3W 1.3(6) . . . . ? P2 C1W C2W C3W -179.4(3) . . . . ? C1W C2W C3W C4W -1.1(6) . . . . ? C2W C3W C4W C5W 0.3(7) . . . . ? C3W C4W C5W C6W 0.3(7) . . . . ? C2W C1W C6W C5W -0.7(6) . . . . ? P2 C1W C6W C5W 180.0(3) . . . . ? C4W C5W C6W C1W 0.0(7) . . . . ? C1W P2 C1X C2X 108.1(3) . . . . ? C14 P2 C1X C2X -138.9(3) . . . . ? Au2 P2 C1X C2X -15.1(3) . . . . ? C1W P2 C1X C6X -73.1(3) . . . . ? C14 P2 C1X C6X 39.9(3) . . . . ? Au2 P2 C1X C6X 163.7(3) . . . . ? C6X C1X C2X C3X -0.4(6) . . . . ? P2 C1X C2X C3X 178.4(3) . . . . ? C1X C2X C3X C4X 0.3(6) . . . . ? C2X C3X C4X C5X 0.1(7) . . . . ? C3X C4X C5X C6X -0.4(7) . . . . ? C4X C5X C6X C1X 0.3(6) . . . . ? C2X C1X C6X C5X 0.1(6) . . . . ? P2 C1X C6X C5X -178.7(3) . . . . ? C7 P1 C1Y C6Y -139.6(3) . . . . ? C1Z P1 C1Y C6Y 111.8(3) . . . . ? Au1 P1 C1Y C6Y -12.1(3) . . . . ? C7 P1 C1Y C2Y 47.9(4) . . . . ? C1Z P1 C1Y C2Y -60.7(3) . . . . ? Au1 P1 C1Y C2Y 175.4(3) . . . . ? C6Y C1Y C2Y C3Y -2.3(6) . . . . ? P1 C1Y C2Y C3Y 170.2(3) . . . . ? C1Y C2Y C3Y C4Y 1.8(6) . . . . ? C2Y C3Y C4Y C5Y 0.2(6) . . . . ? C3Y C4Y C5Y C6Y -1.8(6) . . . . ? C4Y C5Y C6Y C1Y 1.3(6) . . . . ? C2Y C1Y C6Y C5Y 0.8(6) . . . . ? P1 C1Y C6Y C5Y -171.9(3) . . . . ? C7 P1 C1Z C6Z 148.8(3) . . . . ? C1Y P1 C1Z C6Z -103.2(3) . . . . ? Au1 P1 C1Z C6Z 16.7(3) . . . . ? C7 P1 C1Z C2Z -38.9(4) . . . . ? C1Y P1 C1Z C2Z 69.0(3) . . . . ? Au1 P1 C1Z C2Z -171.0(3) . . . . ? C6Z C1Z C2Z C3Z 2.4(6) . . . . ? P1 C1Z C2Z C3Z -169.8(3) . . . . ? C1Z C2Z C3Z C4Z -0.8(6) . . . . ? C2Z C3Z C4Z C5Z -1.1(6) . . . . ? C3Z C4Z C5Z C6Z 1.4(6) . . . . ? C4Z C5Z C6Z C1Z 0.2(6) . . . . ? C2Z C1Z C6Z C5Z -2.1(6) . . . . ? P1 C1Z C6Z C5Z 170.5(3) . . . . ? C3S O1S C2S C1S 172.5(5) . . . . ? C2S O1S C3S C4S -176.0(4) . . . . ?