#------------------------------------------------------------------------------ #$Date: 2024-10-22 04:00:43 +0300 (Tue, 22 Oct 2024) $ #$Revision: 295576 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/29/1572917.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_1572917 loop_ _publ_author_name 'Wu, Kim Jiayi' 'Tobin, John M.' 'Ji, Anli' 'Shi, Yang' 'Ye, Chunchun' 'Nichol, Gary S.' 'Fuoco, Alessio' 'Longo, Mariagiulia' 'Jansen, Johannes C.' 'McKeown, Neil B.' _publ_section_title ; The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes ; _journal_name_full 'Polymer Chemistry' _journal_paper_doi 10.1039/D4PY01002G _journal_year 2024 _chemical_formula_moiety 'C30 H22 F6 O2' _chemical_formula_sum 'C30 H22 F6 O2' _chemical_formula_weight 528.498 _chemical_name_systematic 9,10-bis(4?-methoxyphenyl)-9,10-bis(trifluoromethyl)-9,10-dihydroanthracene _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _symmetry_Int_Tables_number 14 _atom_sites_solution_primary dual _audit_creation_date 2023-02-23 _audit_creation_method ; Olex2 1.5-beta (compiled 2023.01.27 svn.rdd5efbe3 for OlexSys, GUI svn.r6708) ; _audit_update_record ; 2024-09-06 deposited with the CCDC. 2024-10-11 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 114.734(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.1886(17) _cell_length_b 9.8424(10) _cell_length_c 16.2722(19) _cell_measurement_reflns_used 9861 _cell_measurement_temperature 100.00 _cell_measurement_theta_max 32.91 _cell_measurement_theta_min 2.49 _cell_volume 2354.9(4) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_collection APEX4 _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.5-beta (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-beta (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5-beta (Bourhis et al., 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 100.00 _diffrn_measured_fraction_theta_full 0.9993 _diffrn_measured_fraction_theta_max 0.9982 _diffrn_measurement_device_type 'Bruker D8 VENTURE' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0482 _diffrn_reflns_av_unetI/netI 0.0278 _diffrn_reflns_Laue_measured_fraction_full 0.9993 _diffrn_reflns_Laue_measured_fraction_max 0.9982 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 81926 _diffrn_reflns_point_group_measured_fraction_full 0.9993 _diffrn_reflns_point_group_measured_fraction_max 0.9982 _diffrn_reflns_theta_full 25.2417 _diffrn_reflns_theta_max 33.15 _diffrn_reflns_theta_min 2.33 _diffrn_source_current 1.4 _diffrn_source_power 0.07 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.124 _exptl_absorpt_correction_T_max 0.7465 _exptl_absorpt_correction_T_min 0.7183 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0920 before and 0.0549 after correction. The Ratio of minimum to maximum transmission is 0.9622. The \l/2 correction factor is Not present. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.491 _exptl_crystal_description block _exptl_crystal_F_000 1088.937 _exptl_crystal_recrystallization_method 'The material was recrystallised from isopropanol by slow evaporation' _exptl_crystal_size_max 0.426 _exptl_crystal_size_mid 0.236 _exptl_crystal_size_min 0.147 _refine_diff_density_max 0.2590 _refine_diff_density_min -0.2640 _refine_diff_density_rms 0.0620 _refine_ls_d_res_high 0.6499 _refine_ls_d_res_low 8.7523 _refine_ls_goodness_of_fit_ref 1.0894 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 541 _refine_ls_number_reflns 8961 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0894 _refine_ls_R_factor_all 0.0381 _refine_ls_R_factor_gt 0.0231 _refine_ls_shift/su_max 0.0002 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0022P)^2^+0.0391P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0285 _refine_ls_wR_factor_ref 0.0320 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 13 _reflns_limit_h_min -24 _reflns_limit_k_max 15 _reflns_limit_k_min 0 _reflns_limit_l_max 25 _reflns_limit_l_min -12 _reflns_number_gt 7243 _reflns_number_total 8961 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL nm23007_a.res in P2(1)/n REM Old TITL mo_NM23007_0m in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.094, Rweak 0.003, Alpha 0.021 REM 0.367 for 301 systematic absences, Orientation as input REM Formula found by SHELXT: C30 O2 F6 CELL 0.71073 16.1886 9.8424 16.2722 90 114.734 90 ZERR 4 0.0017 0.001 0.0019 0 0.004 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H F O UNIT 120 88 24 8 L.S. 10 PLAN 20 SIZE 0.147 0.236 0.426 TEMP -173.15 CONF BOND FMAP 2 list 4 MORE -1 BOND $H ACTA OMIT 1 1 3 OMIT -2 2 1 WGHT 0.002214 0.039092 FVAR 0.432645 REM REM REM F1 3 0.74665 0.52939 0.24663 11.00000 0.01670 0.01735 0.02462 = -0.00068 0.01268 -0.00353 F2 3 0.79793 0.36878 0.34416 11.00000 0.01013 0.02416 0.02168 = -0.00004 0.00439 0.00110 F3 3 0.71247 0.32225 0.20545 11.00000 0.01562 0.01973 0.02190 = -0.00600 0.00989 -0.00104 F4 3 0.57467 0.17307 0.09306 11.00000 0.01381 0.01921 0.01907 = -0.00226 0.00962 -0.00002 F5 3 0.50419 0.00738 0.12070 11.00000 0.02199 0.01194 0.02110 = -0.00151 0.01073 0.00156 F6 3 0.43030 0.15052 0.01697 11.00000 0.01524 0.02081 0.01224 = -0.00276 0.00477 0.00023 O1 4 0.14130 0.15500 0.18960 11.00000 0.01343 0.02469 0.02544 = -0.00684 0.01106 -0.00642 O2 4 0.65987 0.80008 0.56423 11.00000 0.02584 0.01861 0.01639 = -0.00350 0.00958 0.00006 C1 1 0.66918 0.10939 0.44093 11.00000 0.01687 0.01873 0.01494 = 0.00685 0.00221 0.00163 H1 2 0.71404 0.07905 0.50859 11.00000 0.03802 0.03871 0.02482 = 0.01619 -0.00065 -0.00083 C2 1 0.60029 0.02299 0.38518 11.00000 0.01724 0.01525 0.01794 = 0.00786 0.00492 0.00095 H2 2 0.59155 -0.07669 0.40850 11.00000 0.03644 0.03069 0.04234 = 0.01526 0.01178 -0.00522 C3 1 0.54211 0.06541 0.29934 11.00000 0.01422 0.01118 0.01571 = 0.00409 0.00447 -0.00074 H3 2 0.48721 -0.00097 0.25710 11.00000 0.02830 0.02765 0.02522 = 0.00051 0.00100 -0.01041 C4 1 0.55205 0.19241 0.26493 11.00000 0.01000 0.00992 0.01129 = 0.00180 0.00366 -0.00008 C5 1 0.62179 0.27814 0.32019 11.00000 0.01012 0.01097 0.01105 = 0.00169 0.00260 0.00024 C6 1 0.67897 0.23568 0.40842 11.00000 0.01355 0.01593 0.01248 = 0.00303 0.00086 -0.00004 H6 2 0.73128 0.30371 0.45271 11.00000 0.02478 0.03335 0.02660 = 0.00462 -0.00131 -0.00306 C7 1 0.48248 0.23196 0.16994 11.00000 0.00899 0.00970 0.01049 = 0.00060 0.00380 -0.00007 C8 1 0.49197 0.37972 0.14575 11.00000 0.00909 0.01039 0.01063 = 0.00185 0.00397 0.00088 C9 1 0.56073 0.46604 0.20216 11.00000 0.01030 0.00949 0.01182 = 0.00160 0.00471 0.00020 C10 1 0.63816 0.41926 0.29048 11.00000 0.00932 0.01067 0.01158 = 0.00038 0.00408 -0.00053 C11 1 0.42468 0.43188 0.06507 11.00000 0.01126 0.01369 0.01228 = 0.00332 0.00393 0.00234 H11 2 0.37055 0.36552 0.02176 11.00000 0.02537 0.02582 0.02350 = 0.00237 0.00377 -0.00224 C12 1 0.42546 0.56614 0.04027 11.00000 0.01673 0.01432 0.01415 = 0.00520 0.00684 0.00521 H12 2 0.37399 0.60193 -0.02341 11.00000 0.03565 0.02597 0.02786 = 0.01096 0.00635 0.01090 C13 1 0.49283 0.65326 0.09775 11.00000 0.02115 0.01108 0.01625 = 0.00438 0.00997 0.00348 H13 2 0.49394 0.75891 0.08127 11.00000 0.04364 0.02133 0.03076 = 0.00877 0.01421 0.00212 C14 1 0.55925 0.60331 0.17744 11.00000 0.01696 0.00972 0.01522 = 0.00198 0.00771 -0.00003 H14 2 0.61077 0.67096 0.22256 11.00000 0.02936 0.02122 0.03718 = 0.00028 0.01332 -0.00853 C15 1 0.72461 0.41058 0.27198 11.00000 0.01034 0.01417 0.01641 = -0.00142 0.00612 -0.00107 C16 1 0.49765 0.14007 0.09993 11.00000 0.01158 0.01252 0.01286 = -0.00047 0.00566 0.00057 C17 1 0.64857 0.52145 0.36596 11.00000 0.01064 0.01183 0.01295 = -0.00075 0.00473 -0.00116 C18 1 0.38666 0.21257 0.16673 11.00000 0.00935 0.01089 0.01102 = -0.00081 0.00430 -0.00083 C19 1 0.33279 0.09685 0.13297 11.00000 0.01141 0.01278 0.01520 = -0.00289 0.00576 -0.00210 H19 2 0.35368 0.01621 0.10037 11.00000 0.02796 0.02673 0.04365 = -0.00999 0.02260 -0.00384 C20 1 0.25051 0.08197 0.14011 11.00000 0.01213 0.01475 0.01708 = -0.00409 0.00654 -0.00426 H20 2 0.20891 -0.00737 0.11262 11.00000 0.02980 0.03019 0.04687 = -0.01142 0.01649 -0.02128 C21 1 0.22043 0.18158 0.18214 11.00000 0.01015 0.01677 0.01508 = -0.00225 0.00579 -0.00243 C22 1 0.27149 0.29985 0.21328 11.00000 0.01221 0.01558 0.01862 = -0.00403 0.00837 -0.00198 H22 2 0.24940 0.38171 0.24391 11.00000 0.02801 0.02734 0.05024 = -0.01125 0.02448 -0.00297 C23 1 0.35338 0.31379 0.20510 11.00000 0.01179 0.01245 0.01654 = -0.00321 0.00744 -0.00219 H23 2 0.39197 0.40690 0.22955 11.00000 0.02326 0.02130 0.05306 = -0.01519 0.02022 -0.01074 C24 1 0.57384 0.53758 0.38699 11.00000 0.01102 0.01789 0.01563 = -0.00246 0.00575 -0.00117 H24 2 0.51294 0.47827 0.35122 11.00000 0.01024 0.03261 0.02574 = -0.01175 0.00773 -0.00795 C25 1 0.57395 0.62897 0.45252 11.00000 0.01349 0.01852 0.01476 = -0.00111 0.00586 0.00112 H25 2 0.51390 0.64061 0.46534 11.00000 0.02747 0.04831 0.04654 = -0.00368 0.02383 0.00819 C26 1 0.65158 0.70675 0.49925 11.00000 0.01708 0.01284 0.01265 = 0.00082 0.00623 0.00094 C27 1 0.72735 0.69072 0.48019 11.00000 0.01697 0.01529 0.01602 = -0.00301 0.00755 -0.00497 H27 2 0.78801 0.75132 0.51702 11.00000 0.03372 0.04241 0.04159 = -0.01255 0.01850 -0.01962 C28 1 0.72595 0.59924 0.41427 11.00000 0.01338 0.01571 0.01596 = -0.00338 0.00717 -0.00470 H28 2 0.78573 0.59012 0.40116 11.00000 0.03048 0.04138 0.04668 = -0.01121 0.02935 -0.00720 C29 1 0.11439 0.24908 0.24020 11.00000 0.01809 0.03732 0.03265 = -0.01473 0.01734 -0.00890 H29a 2 0.16700 0.26045 0.30738 11.00000 0.04036 0.07997 0.04417 = -0.01959 0.02109 -0.02186 H29b 2 0.05336 0.20862 0.24246 11.00000 0.03952 0.07632 0.08591 = -0.03755 0.04353 -0.02494 H29c 2 0.09997 0.34834 0.20625 11.00000 0.05909 0.04146 0.08862 = 0.00024 0.04196 0.00493 C30 1 0.58116 0.83042 0.57906 11.00000 0.03131 0.02565 0.02108 = -0.00166 0.01460 0.00558 H30a 2 0.60403 0.91144 0.63035 11.00000 0.05654 0.05717 0.04824 = -0.03742 0.01397 0.00147 H30b 2 0.55613 0.74144 0.60101 11.00000 0.04974 0.04232 0.05376 = 0.00176 0.03515 -0.00200 H30c 2 0.52602 0.86851 0.51726 11.00000 0.04853 0.07077 0.04308 = 0.01402 0.02141 0.02861 HKLF 4 END Q1 1 0.740741 0.166667 0.433333 11 0.05 0.26 Q2 1 0.407407 0.472222 -0.05 11 0.05 0.24 Q3 1 0.814815 0.694444 0.4 11 0.05 0.23 Q4 1 0.574074 0.027778 0.1 11 0.05 0.22 Q5 1 0.5 0.305556 0.05 11 0.05 0.22 REM The information below was added by Olex2. REM REM R1 = 0.0231 for 7243 Fo > 4sig(Fo) and 0.0381 for all 8961 data REM 541 parameters refined using 0 restraints REM Highest difference peak 0.2590, deepest hole -0.2640 REM Mean Shift 0.0000, Max Shift 0.0002. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0381 REM R1_gt = 0.0231 REM wR_ref = 0.0320 REM GOOF = 1.0894 REM Shift_max = 0.0002 REM Shift_mean = 0.0000 REM Reflections_all = 8961 REM Reflections_gt = 7243 REM Parameters = 541 REM Hole = -0.2640 REM Peak = 0.2590 REM Flack = n/a ; _cod_data_source_file d4py01002g2.cif _cod_data_source_block NM23007 _cod_original_cell_volume 2354.9(5) _cod_database_code 1572917 _olex2_refinement_description ; ; _iucr_refine_fcf_details ; data_NM23007_CCDC1 _computing_structure_refinement 'olex2.refine 1.5-beta (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x+1/2,y+1/2,-z+1/2 3 -x,-y,-z 4 x-1/2,-y-1/2,z-1/2 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2ybc (x-z,y,z)' _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2ybc (x-z,y,z)' _symmetry_Int_Tables_number 14 _cell_length_a 16.1886(17) _cell_length_b 9.8424(10) _cell_length_c 16.2722(19) _cell_angle_alpha 90 _cell_angle_beta 114.734(4) _cell_angle_gamma 90 _cell_volume 2354.9(5) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -24 0 6 4.535 -21.553 23.416 4.649 o -24 0 8 739.344 680.437 40.581 1.520 o -24 0 10 521.496 489.606 31.939 2.448 o -24 0 12 390.544 366.794 50.726 0.985 o -24 0 14 999.268 1007.900 48.996 1.043 o -24 1 5 163.114 137.856 14.502 11.776 o -24 1 6 397.024 395.921 21.556 5.301 o -24 1 7 19.587 -0.031 13.565 13.816 o -24 1 8 7.781 8.890 8.686 33.645 o -24 1 9 200.354 176.146 15.212 10.662 o -24 1 10 28.833 37.820 10.785 21.685 o -24 1 11 3.270 17.856 15.542 10.541 o -24 1 12 35.238 28.939 10.012 25.106 o -24 1 13 19.524 16.303 9.823 26.225 o -24 1 14 56.024 62.896 11.693 18.338 o -24 1 15 197.672 184.647 15.019 10.927 o -24 2 5 96.342 94.962 14.108 12.568 o -24 2 6 3.953 19.834 11.079 20.707 o -24 2 7 907.443 891.427 64.494 0.607 o -24 2 8 4.370 -13.454 8.565 34.696 o -24 2 9 80.238 94.508 20.642 5.936 o -24 2 10 1.765 12.757 10.837 21.667 o -24 2 11 185.908 199.095 17.519 8.105 o -24 2 12 8.665 5.041 16.311 9.572 o -24 2 13 123.801 149.573 15.822 9.974 o -24 2 14 6.091 -17.016 11.692 18.628 o -24 2 15 1.951 -20.870 10.112 24.921 o -24 3 7 285.307 286.899 22.050 5.121 o -24 3 8 12.592 12.364 8.977 31.445 o -24 3 9 3.412 14.332 11.335 19.799 o -24 3 10 43.297 29.599 14.034 12.845 o -24 3 11 201.573 183.541 17.963 7.714 o -24 3 12 5.801 4.190 10.677 22.322 o -24 3 13 27.247 12.760 11.485 19.198 o -23 0 1 50.520 32.321 18.859 7.133 o -23 0 3 311.295 385.523 32.734 2.349 o -23 0 5 136.783 134.364 16.759 8.905 o -23 0 7 49.792 51.315 16.930 8.833 o -23 0 9 1298.660 1378.160 47.827 1.086 o -23 0 11 308.298 320.222 25.345 3.892 o -23 0 13 187.098 207.175 28.011 3.217 o -23 0 15 387.650 423.959 33.218 2.276 o -23 0 17 365.303 343.590 85.505 0.348 o -23 1 2 4.415 3.630 8.451 35.611 o -23 1 3 83.469 85.423 12.127 16.951 o -23 1 4 128.917 134.216 13.757 13.111 o -23 1 5 118.024 113.639 11.148 19.779 o -23 1 6 98.147 89.866 10.947 20.625 o -23 1 7 1316.610 1359.090 37.730 1.718 o -23 1 8 0.628 12.794 8.792 32.901 o -23 1 9 134.451 136.459 21.351 5.527 o -23 1 10 348.851 351.324 18.647 7.043 o -23 1 11 1.185 6.839 6.964 52.436 o -23 1 12 537.085 593.276 25.361 3.826 o -23 1 13 210.781 229.563 17.877 7.766 o -23 1 14 17.675 11.132 8.673 33.623 o -23 1 15 2.194 22.415 10.620 22.534 o -23 1 16 1087.620 1177.640 43.831 1.293 o -23 1 17 39.507 30.682 10.399 23.264 o -23 1 18 27.179 36.578 10.576 22.553 o -23 2 2 2.638 -21.743 9.739 26.858 o -23 2 3 51.376 57.146 12.983 14.939 o -23 2 4 56.818 54.112 10.116 24.387 o -23 2 5 405.291 427.449 19.765 6.254 o -23 2 6 737.612 710.629 23.811 4.263 o -23 2 7 577.861 603.290 21.654 5.166 o -23 2 8 299.381 302.433 17.194 8.282 o -23 2 9 550.752 577.556 21.401 5.296 o -23 2 10 436.384 421.629 19.654 6.309 o -23 2 11 391.607 386.351 19.193 6.633 o -23 2 12 35.092 34.469 8.653 33.438 o -23 2 13 427.877 460.358 22.271 4.959 o -23 2 14 317.725 312.707 18.200 7.409 o -23 2 15 21.488 35.300 9.879 25.849 o -23 2 16 8.372 -18.721 21.850 5.337 o -23 2 17 0.507 -9.246 10.361 23.745 o -23 3 3 5.428 10.211 8.930 31.858 o -23 3 4 23.453 25.777 15.515 10.550 o -23 3 5 10.751 4.533 7.742 42.293 o -23 3 6 54.449 34.745 12.334 16.554 o -23 3 7 145.486 150.541 14.401 11.956 o -23 3 8 0.151 6.890 7.596 44.112 o -23 3 9 10.838 9.621 13.655 13.643 o -23 3 10 329.455 335.912 21.407 5.404 o -23 3 11 12.852 2.049 8.302 36.794 o -23 3 12 31.439 43.889 12.755 15.536 o -23 3 13 247.561 259.185 20.033 6.196 o -23 3 14 1.864 20.824 10.107 24.876 o -23 3 15 374.838 420.807 52.597 0.916 o -23 3 16 126.764 105.538 16.469 9.238 o -23 3 17 25.396 30.345 22.278 5.126 o -23 4 4 247.357 236.968 20.152 6.129 o -23 4 5 6.728 8.352 11.386 19.621 o -23 4 6 23.087 57.115 11.186 20.157 o -23 4 7 18.991 32.259 11.514 19.099 o -23 4 8 13.532 5.669 9.113 30.538 o -23 4 9 14.277 2.827 8.360 36.261 o -23 4 10 33.025 23.949 10.342 23.574 o -23 4 11 56.723 38.007 10.205 24.023 o -23 4 12 7.376 3.947 13.474 14.023 o -23 4 13 0.994 3.699 10.427 23.432 o -23 4 14 297.640 306.804 23.373 4.565 o -23 4 15 27.601 -5.517 25.823 3.819 o -23 5 6 5.332 14.866 18.699 7.284 o -23 5 7 15.989 35.218 21.636 5.436 o -23 5 8 717.971 694.455 39.157 1.631 o -23 5 9 97.015 68.014 15.268 10.777 o -23 5 10 22.509 13.284 10.202 24.316 o -23 5 11 25.621 37.924 11.897 17.864 o -23 5 12 6.880 0.542 9.734 26.855 o -23 5 13 11.379 1.067 13.844 13.281 o -22 0 0 59.787 57.270 23.239 4.700 o -22 0 2 73.176 67.196 13.223 14.350 o -22 0 4 73.338 85.502 13.966 12.869 o -22 0 6 17.954 19.145 11.744 18.388 o -22 0 8 103.417 137.735 24.016 4.386 o -22 0 10 939.442 995.159 56.416 0.791 o -22 0 12 266.213 265.165 31.576 2.530 o -22 0 14 101.117 104.887 21.914 5.264 o -22 0 16 631.842 632.350 32.753 2.319 o -22 0 18 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386.463 15.983 9.411 o -20 4 7 9.192 8.210 7.578 44.131 o -20 4 8 20.132 18.178 5.450 83.687 o -20 4 9 2.431 6.183 4.102 150.244 o -20 4 10 61.106 65.957 7.062 48.703 o -20 4 11 148.150 123.097 9.458 26.830 o -20 4 12 234.769 218.596 10.626 20.873 o -20 4 13 22.875 14.789 6.964 51.726 o -20 4 14 0.152 7.695 5.870 73.757 o -20 4 15 206.476 204.346 11.616 17.805 o -20 4 16 744.787 807.065 31.916 2.425 o -20 4 17 366.308 374.338 18.252 7.321 o -20 4 18 5.302 -11.675 8.956 31.727 o -20 4 19 8.389 19.548 9.711 26.896 o -20 4 20 207.143 189.829 17.281 8.312 o -20 5 -2 11.838 27.230 11.636 18.737 o -20 5 -1 25.932 19.312 7.830 40.956 o -20 5 0 1.028 9.497 6.815 54.717 o -20 5 1 230.498 206.365 15.238 10.572 o -20 5 2 42.837 45.480 8.789 32.286 o -20 5 3 74.989 74.323 9.769 25.912 o -20 5 4 6.054 9.829 6.576 58.561 o -20 5 5 53.118 53.345 8.704 32.748 o -20 5 6 0.575 4.881 5.360 88.495 o -20 5 7 57.608 72.946 8.330 35.475 o -20 5 8 10.738 13.305 5.324 88.522 o -20 5 9 532.741 587.517 26.409 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o -14 2 -11 0.051 0.752 6.220 65.879 o -14 2 -10 187.923 196.502 10.161 22.994 o -14 2 -9 23.154 11.447 4.528 119.948 o -14 2 -8 2.988 4.139 3.220 242.839 o -14 2 -7 35.267 34.217 4.970 97.773 o -14 2 -6 40.682 39.756 5.519 79.542 o -14 2 -5 340.076 335.511 10.087 22.065 o -14 2 -4 121.007 112.726 5.491 73.170 o -14 2 -3 228.137 229.023 6.926 44.605 o -14 2 -2 335.738 328.850 8.437 30.079 o -14 2 -1 269.262 270.814 7.722 36.145 o -14 2 0 19.588 17.665 2.860 285.776 o -14 2 1 135.299 132.577 5.583 69.829 o -14 2 2 78.935 77.871 4.377 114.520 o -14 2 3 2837.160 2817.640 32.311 2.135 o -14 2 4 937.541 969.990 15.859 8.701 o -14 2 5 4.786 8.958 2.241 484.524 o -14 2 6 10.187 12.493 2.223 474.650 o -14 2 7 64.647 64.010 3.745 153.921 o -14 2 8 14.591 8.711 2.442 394.618 o -14 2 9 166.719 163.176 6.479 52.474 o -14 2 10 6.418 7.148 2.165 515.283 o -14 2 11 953.179 985.824 15.194 9.335 o -14 2 12 21.813 13.365 3.347 213.411 o -14 2 13 1086.960 1101.060 17.899 6.911 o -14 2 14 0.024 -1.920 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410.705 420.720 8.569 28.184 o -14 3 4 2.284 4.317 2.195 516.754 o -14 3 5 17.474 20.586 2.586 343.864 o -14 3 6 114.046 110.891 4.937 88.370 o -14 3 7 4.304 3.321 2.158 529.913 o -14 3 8 21.729 21.854 2.066 497.873 o -14 3 9 842.700 834.219 12.200 13.770 o -14 3 10 7.909 6.402 2.395 423.172 o -14 3 11 1181.810 1197.960 19.326 5.973 o -14 3 12 281.043 286.431 8.985 27.659 o -14 3 13 155.700 152.037 7.410 41.754 o -14 3 14 36.892 34.663 4.582 113.750 o -14 3 15 341.462 339.129 11.095 18.612 o -14 3 16 75.214 71.961 6.258 60.579 o -14 3 17 42.007 45.852 5.461 80.882 o -14 3 18 125.020 126.493 9.213 28.367 o -14 3 19 152.088 141.791 9.922 24.425 o -14 3 20 504.024 566.805 19.025 6.642 o -14 3 21 265.755 252.269 16.352 9.173 o -14 3 22 89.943 94.992 10.002 24.593 o -14 3 23 42.915 53.748 8.784 32.279 o -14 3 24 42.507 42.721 9.698 26.634 o -14 4 -11 70.153 62.311 13.269 14.265 o -14 4 -10 3.954 1.006 7.251 48.379 o -14 4 -9 37.084 45.280 5.327 85.144 o -14 4 -8 1.440 0.113 3.617 194.239 o 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75.027 7.196 46.595 o -14 4 19 0.157 -1.589 7.139 50.018 o -14 4 20 459.096 475.162 21.642 5.228 o -14 4 21 72.813 57.495 8.342 35.283 o -14 4 22 4.433 8.201 6.808 54.739 o -14 4 23 175.256 168.769 15.472 10.351 o -14 5 -11 119.620 114.355 11.187 19.636 o -14 5 -10 53.349 38.057 9.663 26.758 o -14 5 -9 136.214 132.782 12.053 16.923 o -14 5 -8 8.600 4.984 4.037 153.713 o -14 5 -7 986.602 1000.080 20.780 5.363 o -14 5 -6 671.163 658.603 15.255 9.769 o -14 5 -5 72.472 72.201 8.442 34.395 o -14 5 -4 80.150 85.586 7.692 40.856 o -14 5 -3 17.005 14.072 3.339 216.503 o -14 5 -2 63.640 61.462 4.136 130.195 o -14 5 -1 22.276 19.860 2.810 291.781 o -14 5 0 417.222 415.666 9.704 22.902 o -14 5 1 643.939 647.313 10.535 18.442 o -14 5 2 309.635 292.332 8.691 29.014 o -14 5 3 17.147 23.917 2.881 281.292 o -14 5 4 18.872 22.651 3.951 155.447 o -14 5 5 2188.860 2196.210 27.668 2.915 o -14 5 6 363.536 348.488 9.776 23.131 o -14 5 7 1155.690 1174.140 19.406 5.948 o -14 5 8 289.920 282.839 10.018 22.761 o -14 5 9 14.617 9.826 2.288 443.661 o -14 5 10 34.993 36.926 3.658 172.452 o -14 5 11 304.037 304.718 8.044 33.083 o -14 5 12 2.364 2.001 2.701 345.215 o -14 5 13 48.001 41.116 4.327 124.254 o -14 5 14 99.416 104.782 7.433 43.028 o -14 5 15 40.364 31.227 4.923 99.188 o -14 5 16 0.645 -0.661 4.338 135.323 o -14 5 17 72.975 79.449 7.261 45.776 o -14 5 18 58.929 71.175 7.900 39.288 o -14 5 19 830.464 826.418 20.790 5.447 o -14 5 20 168.713 150.322 10.995 20.017 o -14 5 21 31.311 16.449 9.403 28.503 o -14 5 22 78.558 65.500 9.289 28.575 o -14 5 23 7.948 32.457 12.373 16.584 o -14 6 -10 485.555 516.933 24.324 4.164 o -14 6 -9 330.278 292.036 17.941 7.615 o -14 6 -8 4.774 2.295 8.644 34.051 o -14 6 -7 720.610 720.092 15.377 9.542 o -14 6 -6 47.569 37.940 4.784 103.499 o -14 6 -5 293.195 294.230 15.904 9.626 o -14 6 -4 589.696 586.317 14.229 11.223 o -14 6 -3 93.214 90.501 6.216 60.279 o -14 6 -2 131.475 126.556 6.034 61.332 o -14 6 -1 223.575 215.772 6.660 47.896 o -14 6 0 1956.900 1968.610 40.443 1.473 o -14 6 1 267.671 281.971 8.711 29.341 o -14 6 2 54.807 57.017 4.219 127.549 o -14 6 3 240.999 256.405 8.402 31.664 o -14 6 4 174.343 167.332 6.654 49.848 o -14 6 5 389.517 400.533 10.940 18.771 o -14 6 6 29.981 27.462 3.562 184.315 o -14 6 7 1381.180 1345.580 19.712 5.649 o -14 6 8 2.473 2.277 4.610 119.455 o -14 6 9 228.146 243.997 9.753 24.392 o -14 6 10 548.435 553.692 12.587 14.052 o -14 6 11 7.509 5.365 4.597 119.121 o -14 6 12 345.330 306.661 9.609 24.082 o -14 6 13 40.344 33.790 4.078 140.601 o -14 6 14 138.148 136.921 7.776 38.655 o -14 6 15 43.343 38.252 5.080 92.898 o -14 6 16 93.557 108.967 9.813 25.445 o -14 6 17 2.680 -5.267 5.442 85.867 o -14 6 18 0.383 7.780 5.643 79.769 o -14 6 19 55.291 55.435 7.455 44.137 o -14 6 20 1.386 5.033 5.935 72.159 o -14 6 21 196.244 175.465 12.697 15.103 o -14 6 22 1.355 -2.767 8.948 31.828 o -14 7 -9 227.429 200.658 14.302 11.951 o -14 7 -8 34.682 17.193 4.789 105.934 o -14 7 -7 359.737 370.267 11.341 17.769 o -14 7 -6 55.182 53.557 5.176 88.088 o -14 7 -5 143.921 147.280 8.661 31.555 o -14 7 -4 1760.160 1817.910 30.448 2.519 o -14 7 -3 84.653 81.197 5.683 71.618 o -14 7 -2 827.898 840.276 15.664 9.064 o -14 7 -1 472.626 470.564 12.581 14.337 o -14 7 0 168.579 183.615 8.583 31.627 o -14 7 1 664.641 640.333 13.462 12.197 o -14 7 2 266.459 277.518 9.378 25.788 o -14 7 3 13.861 11.545 3.300 223.548 o -14 7 4 101.148 101.215 5.939 64.913 o -14 7 5 1.422 -0.221 3.121 260.704 o -14 7 6 40.556 32.943 4.308 127.142 o -14 7 7 2.323 8.447 3.519 203.042 o -14 7 8 596.828 594.168 13.626 12.099 o -14 7 9 45.718 39.123 4.945 97.443 o -14 7 10 474.403 480.280 13.498 12.625 o -14 7 11 65.044 72.981 7.015 49.137 o -14 7 12 59.578 68.351 6.925 50.567 o -14 7 13 110.285 109.205 8.152 36.005 o -14 7 14 0.001 0.214 3.933 164.789 o -14 7 15 8.851 7.348 5.049 98.751 o -14 7 16 96.961 88.345 8.592 32.873 o -14 7 17 267.863 276.319 12.666 14.877 o -14 7 18 117.949 112.058 11.177 19.683 o -14 7 19 4.229 0.409 7.578 44.309 o -14 7 20 25.915 13.867 7.055 50.358 o -14 7 21 6.880 -8.298 9.976 25.568 o -14 8 -8 171.955 166.720 7.656 38.972 o -14 8 -7 4.824 14.073 6.611 57.927 o -14 8 -6 56.226 44.678 7.716 41.388 o -14 8 -5 3.028 9.695 4.481 125.682 o -14 8 -4 390.973 395.387 13.809 12.328 o -14 8 -3 141.890 135.973 11.911 17.291 o -14 8 -2 271.179 281.167 15.449 10.206 o -14 8 -1 687.550 692.877 16.552 8.407 o -14 8 0 155.768 160.365 8.679 31.247 o -14 8 1 75.004 79.403 6.365 58.563 o -14 8 2 244.994 243.050 10.749 20.331 o -14 8 3 1067.140 1072.420 21.695 4.921 o -14 8 4 192.590 189.881 8.943 29.087 o -14 8 5 417.990 423.331 12.634 14.411 o -14 8 6 354.399 352.884 11.470 17.462 o -14 8 7 57.767 63.972 6.023 65.994 o -14 8 8 157.895 159.105 11.291 19.054 o -14 8 9 54.364 49.821 6.239 62.165 o -14 8 10 5.258 4.374 4.195 143.295 o -14 8 11 30.837 26.213 5.687 76.127 o -14 8 12 114.023 110.090 9.350 27.743 o -14 8 13 0.602 -3.673 5.086 98.482 o -14 8 14 110.045 132.316 12.570 15.673 o -14 8 15 12.760 9.557 5.780 75.290 o 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10 16 153.173 162.518 14.137 12.371 o -14 10 17 319.562 351.207 21.279 5.468 o -14 11 -3 0.297 8.661 8.628 34.191 o -14 11 -2 29.265 41.527 9.834 26.008 o -14 11 -1 26.960 22.880 23.320 4.679 o -14 11 0 54.233 46.831 8.844 31.770 o -14 11 1 44.824 62.637 9.974 25.123 o -14 11 2 118.531 115.357 10.188 23.506 o -14 11 3 4.931 -5.218 4.909 105.240 o -14 11 4 115.114 106.425 8.315 34.647 o -14 11 5 51.827 60.061 6.857 51.851 o -14 11 6 98.921 95.518 8.338 34.736 o -14 11 7 22.658 31.082 6.831 53.496 o -14 11 8 58.006 64.945 7.600 42.392 o -14 11 9 45.960 46.843 7.585 42.954 o -14 11 10 541.649 554.522 19.707 6.200 o -14 11 11 1.122 -8.135 8.400 36.118 o -14 11 12 172.221 173.609 14.083 12.422 o -14 11 13 19.979 8.153 9.449 28.356 o -14 11 14 11.350 20.526 9.178 30.060 o -14 12 1 6.236 3.879 10.596 22.663 o -14 12 2 20.201 20.787 12.476 16.295 o -14 12 3 217.510 215.147 24.376 4.229 o -14 12 4 6.205 21.182 10.355 23.681 o -14 12 5 317.456 327.548 21.527 5.351 o -14 12 6 56.344 47.104 13.285 14.274 o -14 12 7 102.540 72.484 12.185 16.756 o -14 12 8 82.667 69.254 13.705 13.354 o -14 12 9 55.068 47.514 12.078 17.232 o -14 12 10 143.872 123.525 15.265 10.691 o -14 12 11 86.194 72.522 12.692 15.515 o -13 0 -11 2.385 -1.257 9.901 25.989 o -13 0 -9 408.050 394.572 17.246 8.119 o -13 0 -7 19.043 8.849 4.684 113.034 o -13 0 -5 838.906 844.922 22.094 4.861 o -13 0 -3 217.115 200.450 8.761 29.909 o -13 0 -1 2015.320 2018.370 34.019 2.030 o -13 0 1 801.310 769.579 19.174 6.348 o -13 0 3 72.916 66.440 6.466 57.153 o -13 0 5 391.798 398.068 12.191 15.472 o -13 0 7 1228.790 1246.060 23.823 4.090 o -13 0 9 3053.950 2996.650 41.804 1.334 o -13 0 11 45.096 40.492 5.945 68.803 o -13 0 13 2.584 1.064 3.400 219.007 o -13 0 15 1619.010 1630.510 32.870 2.204 o -13 0 17 68.174 88.445 11.246 19.698 o -13 0 19 64.008 48.333 8.790 32.039 o -13 0 21 292.744 290.125 22.536 4.906 o -13 0 23 52.239 62.600 12.864 15.205 o -13 1 -12 29.037 26.826 4.871 102.663 o -13 1 -11 4.425 7.676 5.035 99.696 o -13 1 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o -11 0 1 1301.590 1327.560 27.987 3.025 o -11 0 3 121.364 132.969 8.300 34.512 o -11 0 5 22.918 28.992 3.563 186.481 o -11 0 7 4860.780 4794.010 62.525 0.605 o -11 0 9 219.011 205.944 7.559 38.769 o -11 0 11 1325.890 1340.950 23.973 4.012 o -11 0 13 2009.430 2031.630 35.667 1.860 o -11 0 15 363.228 358.054 14.332 11.578 o -11 0 17 675.922 674.184 20.378 5.743 o -11 0 19 94.450 87.790 11.223 19.671 o -11 0 21 551.706 576.279 26.918 3.408 o -11 0 23 19.024 8.810 9.433 28.456 o -11 0 25 533.557 457.041 67.154 0.563 o -11 1 -10 175.618 160.595 10.999 19.950 o -11 1 -9 345.921 342.188 9.877 22.842 o -11 1 -8 77.387 74.090 5.236 83.787 o -11 1 -7 30.372 28.658 3.827 161.211 o -11 1 -6 1.374 -1.075 2.108 569.200 o -11 1 -5 8.644 4.026 2.216 491.181 o -11 1 -4 207.913 207.681 6.135 55.454 o -11 1 -3 3301.590 3298.110 30.718 2.264 o -11 1 -2 325.814 330.443 6.242 48.756 o -11 1 -1 556.535 558.057 8.790 25.351 o -11 1 0 4154.330 4122.090 38.309 1.488 o -11 1 1 462.538 463.915 7.293 35.244 o -11 1 2 302.170 299.861 5.836 55.080 o -11 1 3 1060.420 1073.220 14.179 10.270 o -11 1 4 2679.010 2684.180 24.855 3.364 o -11 1 5 1253.310 1228.190 16.130 8.057 o -11 1 6 258.474 255.966 4.720 78.021 o -11 1 7 51.101 54.164 3.037 226.164 o -11 1 8 1156.540 1169.250 12.423 12.357 o -11 1 9 1871.610 1830.400 19.549 5.404 o -11 1 10 1380.120 1378.910 17.398 6.966 o -11 1 11 3.172 2.305 2.141 542.637 o -11 1 12 283.781 280.278 7.815 35.161 o -11 1 13 3068.720 3078.800 35.594 1.779 o -11 1 14 327.337 338.148 9.720 23.615 o -11 1 15 705.715 700.958 13.911 11.408 o -11 1 16 438.276 446.737 11.579 16.741 o -11 1 17 1397.390 1395.190 22.789 4.369 o -11 1 18 52.882 49.233 5.430 80.886 o -11 1 19 24.876 31.890 5.984 69.129 o -11 1 20 377.160 381.864 15.380 10.114 o -11 1 21 21.791 17.031 6.329 62.413 o -11 1 22 124.330 127.643 10.773 21.061 o -11 1 23 481.322 500.433 22.486 4.848 o -11 1 24 122.551 116.195 11.343 19.106 o -11 2 -10 9.988 13.182 3.830 168.809 o -11 2 -9 2.384 2.575 2.673 352.093 o -11 2 -8 0.971 1.090 2.669 355.901 o -11 2 -7 140.029 149.144 7.070 45.789 o -11 2 -6 182.484 194.595 7.086 44.206 o -11 2 -5 9.697 6.236 2.599 359.738 o -11 2 -4 2.157 -0.648 2.046 601.110 o -11 2 -3 636.537 640.508 9.845 20.584 o -11 2 -2 1587.960 1598.940 16.927 7.059 o -11 2 -1 119.331 112.450 4.786 92.528 o -11 2 0 1123.110 1089.810 14.792 9.501 o -11 2 1 33.649 33.349 2.600 315.619 o -11 2 2 20.562 23.359 2.136 471.820 o -11 2 3 189.108 189.167 4.957 79.313 o -11 2 4 605.411 604.426 9.285 22.833 o -11 2 5 847.408 839.846 11.800 14.504 o -11 2 6 0.017 -0.870 1.106 2084.770 o -11 2 7 511.651 524.924 7.776 31.109 o -11 2 8 2666.360 2691.580 24.176 3.521 o -11 2 9 632.566 653.599 10.352 19.001 o -11 2 10 59.978 60.726 3.763 154.194 o -11 2 11 1534.880 1517.220 18.418 6.211 o -11 2 12 4551.660 4603.960 43.498 1.173 o -11 2 13 273.134 280.847 9.427 25.487 o -11 2 14 264.347 270.650 11.325 18.339 o -11 2 15 564.326 586.018 14.378 11.051 o -11 2 16 46.757 47.029 5.370 83.099 o -11 2 17 1845.210 1876.170 27.261 3.062 o -11 2 18 181.377 153.649 9.694 25.280 o -11 2 19 109.359 92.463 9.233 28.528 o -11 2 20 0.135 0.431 5.595 81.416 o -11 2 21 540.986 552.158 19.757 6.172 o -11 2 22 48.414 50.098 8.835 31.870 o -11 2 23 206.905 218.015 15.986 9.656 o -11 2 24 92.289 107.778 16.265 9.498 o -11 3 -10 65.057 66.630 5.242 84.808 o -11 3 -9 95.926 98.006 5.694 70.336 o -11 3 -8 2309.090 2355.260 33.040 2.109 o -11 3 -7 1.456 1.131 4.052 154.760 o -11 3 -6 784.165 775.368 13.686 11.545 o -11 3 -5 6.049 5.701 2.240 485.677 o -11 3 -4 139.088 140.444 5.350 74.595 o -11 3 -3 20.614 18.080 2.324 412.909 o -11 3 -2 0.003 0.831 1.597 994.906 o -11 3 -1 409.368 397.282 7.473 35.162 o -11 3 0 1239.970 1238.400 15.405 8.692 o -11 3 1 274.227 290.156 5.698 58.233 o -11 3 2 27.121 30.107 2.492 348.659 o -11 3 3 493.970 489.829 8.426 27.881 o -11 3 4 400.869 407.913 6.538 42.990 o -11 3 5 268.858 256.255 6.002 54.570 o -11 3 6 114.018 107.650 3.848 132.500 o -11 3 7 107.258 109.915 3.895 131.036 o -11 3 8 101.491 105.525 4.278 113.955 o -11 3 9 602.057 603.583 9.605 21.680 o -11 3 10 3756.320 3740.370 37.210 1.593 o -11 3 11 1345.820 1349.620 17.672 6.819 o -11 3 12 267.197 263.579 7.659 36.734 o -11 3 13 593.285 627.201 12.829 13.418 o -11 3 14 232.593 241.235 9.348 26.318 o -11 3 15 171.636 171.655 8.780 30.369 o -11 3 16 145.211 151.601 7.875 37.554 o -11 3 17 278.888 290.236 12.843 14.454 o -11 3 18 70.506 60.765 7.580 42.418 o -11 3 19 424.593 434.114 15.722 9.628 o -11 3 20 0.020 2.629 6.011 70.493 o -11 3 21 2.716 -1.505 6.106 68.257 o -11 3 22 58.781 49.895 9.397 28.172 o -11 3 23 0.567 -3.497 7.153 49.806 o -11 3 24 1.600 21.945 8.374 36.185 o -11 4 -10 7.519 3.874 3.865 167.878 o -11 4 -9 0.006 -4.474 3.219 245.971 o -11 4 -8 115.381 117.945 5.668 69.388 o -11 4 -7 117.654 123.760 6.134 60.155 o -11 4 -6 1.010 0.230 2.201 523.060 o -11 4 -5 10.267 3.266 2.284 461.255 o -11 4 -4 93.886 89.224 4.704 98.890 o -11 4 -3 28.619 27.886 2.810 282.892 o -11 4 -2 1640.900 1609.040 18.137 6.284 o -11 4 -1 314.311 310.182 6.603 45.274 o -11 4 0 789.712 828.751 10.885 16.660 o -11 4 1 1874.390 1876.090 19.668 5.341 o -11 4 2 0.466 -1.434 1.390 1310.930 o -11 4 3 1749.730 1763.340 18.105 6.196 o -11 4 4 1707.880 1680.760 16.452 7.259 o -11 4 5 203.409 209.603 4.898 79.088 o -11 4 6 3412.790 3389.610 33.570 1.936 o -11 4 7 387.478 378.570 7.449 35.786 o -11 4 8 993.454 986.547 12.459 12.825 o -11 4 9 2734.010 2693.810 25.921 3.130 o -11 4 10 2107.160 2120.140 23.537 3.872 o -11 4 11 23.975 24.458 3.232 223.751 o -11 4 12 24.917 24.192 3.503 192.598 o -11 4 13 465.552 476.791 11.210 17.570 o -11 4 14 76.838 71.020 5.586 74.638 o -11 4 15 4.316 4.123 3.442 212.172 o -11 4 16 975.937 989.238 18.242 6.784 o -11 4 17 109.138 107.076 7.217 45.220 o -11 4 18 2.244 -4.636 7.324 47.475 o -11 4 19 28.869 27.997 6.231 63.814 o -11 4 20 847.828 853.613 22.302 4.773 o -11 4 21 411.783 431.131 19.754 6.257 o -11 4 22 529.625 546.702 20.196 5.926 o -11 4 23 287.433 280.668 15.920 9.621 o -11 4 24 422.443 397.249 23.024 4.659 o -11 5 -10 25.894 37.791 6.222 63.924 o -11 5 -9 16.859 16.134 5.157 93.584 o -11 5 -8 27.421 26.745 3.302 213.039 o -11 5 -7 166.651 162.890 7.696 38.730 o -11 5 -6 34.212 40.298 3.849 157.018 o -11 5 -5 629.985 641.884 13.146 12.774 o -11 5 -4 356.998 359.730 8.354 30.201 o -11 5 -3 60.078 52.550 4.406 117.581 o -11 5 -2 1793.050 1756.680 20.832 4.911 o -11 5 -1 432.146 422.540 8.424 28.762 o -11 5 0 1088.450 1097.830 14.701 9.634 o -11 5 1 14.368 15.497 1.920 598.114 o -11 5 2 2051.240 2083.820 22.360 4.239 o -11 5 3 1.893 1.374 2.024 612.147 o -11 5 4 16.084 17.842 2.477 375.611 o -11 5 5 1655.040 1687.960 19.319 5.641 o -11 5 6 1038.900 1049.810 16.299 8.178 o -11 5 7 450.116 464.373 9.761 22.347 o -11 5 8 26.863 25.232 1.833 580.202 o -11 5 9 1451.520 1450.320 16.998 7.161 o -11 5 10 980.114 997.000 14.598 9.943 o -11 5 11 3.384 1.416 2.127 550.429 o -11 5 12 69.532 65.819 4.828 98.034 o -11 5 13 670.414 680.568 13.762 11.696 o -11 5 14 0.210 -3.792 3.590 197.730 o -11 5 15 6.698 2.220 3.180 247.119 o -11 5 16 14.191 4.601 3.899 163.078 o -11 5 17 4.314 8.090 4.293 136.699 o -11 5 18 38.627 24.367 6.157 64.973 o -11 5 19 11.413 12.932 5.926 71.638 o -11 5 20 14.313 3.393 5.741 76.387 o -11 5 21 70.821 71.522 9.517 27.300 o -11 5 22 10.108 4.768 6.847 53.998 o -11 5 23 32.337 47.543 10.097 24.652 o -11 6 -10 15.799 16.302 5.761 75.386 o -11 6 -9 31.798 31.924 9.528 27.701 o -11 6 -8 52.629 57.785 4.490 114.308 o -11 6 -7 14.086 17.734 3.102 249.444 o -11 6 -6 155.589 149.211 7.295 42.972 o -11 6 -5 313.502 316.058 9.019 27.087 o -11 6 -4 641.365 643.073 14.829 10.321 o -11 6 -3 266.527 258.914 6.912 43.631 o -11 6 -2 458.465 462.504 9.231 24.459 o -11 6 -1 58.731 60.658 3.648 162.945 o -11 6 0 395.303 379.541 7.176 37.778 o -11 6 1 131.247 125.538 6.096 60.278 o -11 6 2 117.811 113.337 6.100 60.964 o -11 6 3 192.002 186.079 6.649 49.196 o -11 6 4 201.431 204.685 7.237 42.141 o -11 6 5 447.744 465.662 10.031 21.358 o -11 6 6 1317.420 1351.280 19.088 5.999 o -11 6 7 2110.140 2139.030 26.682 3.121 o -11 6 8 1534.720 1553.780 21.786 4.665 o -11 6 9 61.362 60.848 4.809 99.840 o -11 6 10 693.224 691.973 13.107 12.669 o -11 6 11 657.977 658.136 11.699 15.478 o -11 6 12 4.420 6.866 3.077 263.639 o -11 6 13 43.297 31.501 4.230 131.154 o -11 6 14 119.041 123.874 6.842 49.411 o -11 6 15 164.692 176.217 9.206 27.871 o -11 6 16 364.689 370.240 12.729 14.402 o -11 6 17 242.774 251.400 13.354 13.545 o -11 6 18 30.105 30.380 6.475 59.129 o -11 6 19 63.347 52.257 7.895 39.416 o -11 6 20 15.701 18.014 7.133 49.473 o -11 6 21 567.132 598.507 22.193 4.933 o -11 6 22 0.048 0.802 7.174 49.519 o -11 7 -10 32.894 30.261 7.410 45.388 o -11 7 -9 28.907 29.642 7.008 50.730 o -11 7 -8 53.373 48.600 4.451 116.660 o -11 7 -7 2.828 3.797 3.109 260.429 o -11 7 -6 249.760 232.895 8.897 28.648 o -11 7 -5 384.874 383.700 10.732 19.472 o -11 7 -4 200.618 190.545 7.497 39.765 o -11 7 -3 3.667 -0.551 2.760 330.433 o -11 7 -2 67.065 71.104 4.508 110.768 o -11 7 -1 652.899 643.220 10.684 18.002 o -11 7 0 0.361 1.858 2.657 359.316 o -11 7 1 45.722 49.395 4.384 121.008 o -11 7 2 372.995 391.036 10.452 20.434 o -11 7 3 0.773 -0.840 2.455 421.539 o -11 7 4 212.235 201.515 7.707 37.615 o -11 7 5 1016.440 1032.800 19.442 6.026 o -11 7 6 170.199 174.453 7.412 41.260 o -11 7 7 7.296 1.750 3.249 236.725 o -11 7 8 368.485 383.502 10.532 20.200 o -11 7 9 146.348 126.995 7.540 40.842 o -11 7 10 135.520 131.478 7.563 40.770 o -11 7 11 110.114 123.427 3.997 124.266 o -11 7 12 61.764 63.166 4.363 118.637 o -11 7 13 5.184 6.114 2.893 297.071 o -11 7 14 1.280 -5.121 3.273 237.263 o -11 7 15 5.307 6.331 5.602 80.657 o -11 7 16 376.320 383.743 18.901 6.839 o -11 7 17 99.077 92.422 8.018 37.426 o -11 7 18 35.682 27.016 8.598 33.892 o -11 7 19 67.132 62.983 10.116 24.298 o -11 7 20 439.777 402.862 19.169 6.621 o -11 7 21 59.318 54.230 9.343 28.467 o -11 7 22 60.059 40.127 11.454 19.126 o -11 8 -10 38.925 25.655 6.845 52.889 o -11 8 -9 12.368 5.919 6.053 68.838 o -11 8 -8 516.294 513.479 22.762 4.725 o -11 8 -7 359.903 368.750 12.077 15.866 o -11 8 -6 920.650 942.085 23.075 4.450 o -11 8 -5 32.311 33.454 4.344 126.494 o -11 8 -4 6.530 5.789 3.629 190.051 o -11 8 -3 119.607 111.786 5.239 79.460 o -11 8 -2 348.474 341.398 10.518 20.437 o -11 8 -1 50.891 52.068 5.658 74.925 o -11 8 0 3.263 -1.001 3.016 277.711 o -11 8 1 263.716 257.833 9.355 25.993 o -11 8 2 172.686 169.222 7.897 36.832 o -11 8 3 463.314 482.556 13.076 13.387 o -11 8 4 824.744 855.975 15.783 8.940 o -11 8 5 1413.670 1405.850 21.522 4.827 o -11 8 6 367.045 358.937 13.248 13.388 o -11 8 7 4.241 8.963 3.452 209.924 o -11 8 8 194.190 198.351 8.574 31.340 o -11 8 9 111.253 117.010 7.082 46.661 o -11 8 10 323.146 326.640 11.985 16.256 o -11 8 11 0.499 -5.466 3.427 216.779 o -11 8 12 9.437 4.753 3.984 157.587 o -11 8 13 459.395 479.975 10.775 18.830 o -11 8 14 2.404 9.869 3.989 158.322 o -11 8 15 177.213 160.795 9.780 24.871 o -11 8 16 20.905 13.921 5.051 97.168 o -11 8 17 167.058 158.762 9.984 24.000 o -11 8 18 476.314 461.778 18.963 6.725 o -11 8 19 163.169 146.502 11.289 19.065 o -11 8 20 90.697 90.094 13.030 14.707 o -11 8 21 95.815 92.935 13.801 13.126 o -11 9 -10 10.014 13.453 7.405 46.122 o -11 9 -9 8.863 3.089 3.008 273.585 o -11 9 -8 142.702 150.531 9.267 27.812 o -11 9 -7 226.904 240.482 10.249 22.294 o -11 9 -6 113.462 111.912 6.885 49.141 o -11 9 -5 20.539 17.038 7.117 49.583 o -11 9 -4 106.457 103.138 8.223 35.509 o -11 9 -3 136.239 137.669 7.855 37.969 o -11 9 -2 188.613 181.935 8.876 29.561 o -11 9 -1 431.031 421.660 16.098 9.211 o -11 9 0 344.830 349.958 11.017 18.813 o -11 9 1 979.571 994.647 19.497 6.021 o -11 9 2 591.797 586.158 17.202 7.950 o -11 9 3 2396.470 2425.090 41.278 1.396 o -11 9 4 74.267 71.228 5.980 65.952 o -11 9 5 2.428 7.791 3.363 222.161 o -11 9 6 15.437 12.116 3.587 189.874 o -11 9 7 105.447 92.571 7.899 38.395 o -11 9 8 10.566 3.949 5.436 85.336 o -11 9 9 1.593 7.391 3.554 199.684 o -11 9 10 6.133 1.691 3.773 176.819 o -11 9 11 58.632 63.078 6.881 51.283 o -11 9 12 8.466 12.844 4.565 120.109 o -11 9 13 375.996 401.912 19.156 6.661 o -11 9 14 186.196 186.238 11.296 18.878 o -11 9 15 136.643 128.984 8.952 29.826 o -11 9 16 51.744 52.302 6.520 57.227 o -11 9 17 198.876 191.893 12.255 16.130 o -11 9 18 72.473 89.318 11.320 19.429 o -11 9 19 0.003 9.711 7.827 41.523 o -11 10 -9 56.660 49.611 9.071 30.198 o -11 10 -8 52.913 47.347 6.431 58.781 o -11 10 -7 568.138 649.715 22.642 4.741 o -11 10 -6 276.324 286.991 15.947 9.598 o -11 10 -5 28.891 35.696 6.037 67.682 o -11 10 -4 64.490 72.463 6.879 51.025 o -11 10 -3 0.405 4.114 4.994 101.938 o -11 10 -2 154.955 162.824 8.925 29.666 o -11 10 -1 0.009 -3.629 5.054 99.808 o -11 10 0 269.076 264.113 10.193 22.227 o -11 10 1 131.872 132.680 7.561 40.847 o -11 10 2 127.749 122.423 7.395 42.712 o -11 10 3 40.133 33.478 6.540 57.602 o -11 10 4 1.712 -0.320 3.503 207.042 o -11 10 5 39.623 38.188 5.318 85.496 o -11 10 6 72.982 88.396 7.012 48.789 o -11 10 7 84.215 87.754 7.040 48.155 o -11 10 8 6.569 16.355 4.064 150.853 o -11 10 9 67.803 66.497 6.875 51.072 o -11 10 10 545.362 559.583 16.093 9.041 o -11 10 11 20.584 7.073 5.211 91.751 o -11 10 12 0.031 -2.511 4.628 119.003 o -11 10 13 0.910 0.730 6.337 63.424 o -11 10 14 131.316 133.295 10.314 22.839 o -11 10 15 24.176 22.706 7.293 47.111 o -11 10 16 58.761 64.686 9.047 30.262 o -11 10 17 41.758 52.768 11.339 19.557 o -11 10 18 57.288 54.793 13.369 14.088 o -11 11 -7 100.186 88.360 22.387 5.049 o -11 11 -6 221.774 225.110 12.893 14.552 o -11 11 -5 84.168 74.542 8.739 32.039 o -11 11 -4 37.245 32.601 7.644 42.614 o -11 11 -3 198.016 200.221 11.877 17.106 o -11 11 -2 0.286 0.311 5.188 94.677 o -11 11 -1 80.466 94.570 10.224 23.627 o -11 11 0 423.131 389.607 21.312 5.411 o -11 11 1 386.747 401.597 13.835 12.288 o -11 11 2 14.468 7.077 5.623 79.455 o -11 11 3 31.331 22.916 4.710 109.395 o -11 11 4 16.129 14.143 5.309 88.534 o -11 11 5 46.344 35.938 5.316 85.131 o -11 11 6 178.973 172.974 9.324 27.120 o -11 11 7 99.150 100.793 8.236 35.517 o -11 11 8 105.605 122.679 9.772 25.519 o -11 11 9 103.580 88.477 9.010 29.963 o -11 11 10 133.194 167.752 15.226 10.729 o -11 11 11 118.317 126.838 12.254 16.450 o -11 11 12 542.603 534.995 22.108 4.986 o -11 11 13 0.004 3.178 7.049 51.261 o -11 11 14 96.592 63.113 10.521 22.352 o -11 11 15 161.211 148.262 13.400 13.720 o -11 11 16 259.207 263.247 21.604 5.342 o -11 12 -4 299.016 307.924 17.165 8.308 o -11 12 -3 76.569 70.527 10.450 22.732 o -11 12 -2 57.542 46.521 8.266 36.188 o -11 12 -1 35.862 29.137 7.220 47.695 o -11 12 0 18.378 6.351 8.479 35.185 o -11 12 1 271.398 256.393 20.328 6.013 o -11 12 2 0.033 18.164 9.387 28.856 o -11 12 3 82.406 85.396 11.829 17.800 o -11 12 4 253.846 227.328 22.228 5.059 o -11 12 5 2.954 -1.228 7.591 44.181 o -11 12 6 7.671 8.603 7.212 48.719 o -11 12 7 100.572 91.513 12.210 16.668 o -11 12 8 4.496 8.285 7.929 40.404 o -11 12 9 358.789 318.866 23.552 4.482 o 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2847.830 39.337 1.500 o -10 0 10 1578.140 1567.730 23.450 4.088 o -10 0 12 93.563 89.459 6.607 53.893 o -10 0 14 4140.090 4093.210 61.238 0.638 o -10 0 16 2603.090 2685.640 45.561 1.152 o -10 0 18 1391.010 1403.820 34.542 2.028 o -10 0 20 52.045 57.967 11.080 20.413 o -10 0 22 166.109 192.834 18.408 7.371 o -10 0 24 95.998 84.675 14.287 12.270 o -10 1 -9 176.107 182.817 7.225 42.971 o -10 1 -8 140.664 144.796 6.270 56.698 o -10 1 -7 349.388 361.172 9.374 24.921 o -10 1 -6 484.367 481.964 9.166 24.499 o -10 1 -5 1178.480 1169.550 15.350 8.841 o -10 1 -4 384.006 391.486 7.203 37.643 o -10 1 -3 52.594 54.667 2.957 235.216 o -10 1 -2 130.463 122.345 3.975 122.107 o -10 1 -1 26.849 22.275 2.148 454.577 o -10 1 0 340.935 323.844 5.025 65.527 o -10 1 1 0.676 0.126 1.283 1529.750 o -10 1 2 192.886 193.551 3.978 108.228 o -10 1 3 72.344 74.071 2.647 258.002 o -10 1 4 845.171 833.327 9.972 18.774 o -10 1 5 1077.100 1082.460 13.803 10.693 o -10 1 6 32.075 29.801 1.794 572.994 o -10 1 7 129.280 134.944 3.715 134.066 o -10 1 8 2.606 0.736 1.330 1380.130 o -10 1 9 34.597 36.171 2.696 294.784 o -10 1 10 33.834 34.819 2.683 298.605 o -10 1 11 924.958 935.609 15.177 9.412 o -10 1 12 3.630 0.803 2.064 583.762 o -10 1 13 22.880 25.440 3.437 200.008 o -10 1 14 0.043 4.313 2.749 334.716 o -10 1 15 645.993 655.808 15.810 9.190 o -10 1 16 3392.520 3481.940 40.696 1.380 o -10 1 17 663.634 648.768 14.027 11.350 o -10 1 18 136.291 133.822 8.495 32.874 o -10 1 19 62.261 59.357 7.169 47.375 o -10 1 20 123.783 140.571 11.319 19.130 o -10 1 21 1.801 1.579 5.430 86.263 o -10 1 22 0.163 -2.462 6.012 70.519 o -10 1 23 74.722 71.201 9.687 26.352 o -10 1 24 62.174 49.239 9.028 30.427 o -10 2 -9 326.232 340.956 9.266 25.663 o -10 2 -8 16.515 11.697 2.803 302.128 o -10 2 -7 97.832 90.774 5.058 86.817 o -10 2 -6 12.622 12.006 3.037 262.607 o -10 2 -5 1801.360 1790.300 20.464 5.049 o -10 2 -4 451.715 458.139 8.887 26.086 o -10 2 -3 66.423 66.492 3.385 181.073 o -10 2 -2 78.187 77.459 3.877 140.758 o 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391.196 11.615 16.931 o -10 3 16 145.540 142.772 8.136 35.430 o -10 3 17 593.765 593.401 14.944 10.269 o -10 3 18 543.955 550.469 14.639 10.751 o -10 3 19 17.303 16.946 5.753 75.497 o -10 3 20 184.638 208.267 15.674 10.061 o -10 3 21 96.412 95.376 10.692 21.584 o -10 3 22 18.811 -0.363 6.973 51.902 o -10 3 23 25.549 23.060 8.244 36.981 o -10 3 24 2.146 0.621 7.912 40.681 o -10 4 -9 33.454 34.258 3.920 152.717 o -10 4 -8 550.728 553.677 11.000 17.697 o -10 4 -7 1.418 2.336 2.082 579.324 o -10 4 -6 756.397 754.764 12.585 13.366 o -10 4 -5 1.440 1.992 2.017 617.282 o -10 4 -4 174.464 162.545 5.552 67.743 o -10 4 -3 68.347 72.850 4.023 134.595 o -10 4 -2 23.637 26.800 2.574 335.812 o -10 4 -1 137.208 126.505 4.511 99.361 o -10 4 0 15.974 18.373 2.120 494.841 o -10 4 1 857.910 869.347 11.137 15.799 o -10 4 2 0.568 0.163 1.080 2153.760 o -10 4 3 6.215 5.257 1.253 1416.220 o -10 4 4 121.855 122.602 3.484 150.093 o -10 4 5 1622.000 1622.010 15.196 8.299 o -10 4 6 502.202 497.375 6.981 36.661 o 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5.359 5.775 2.086 558.194 o -10 5 -1 9.348 11.584 2.115 523.809 o -10 5 0 101.308 106.462 3.957 129.148 o -10 5 1 10.628 11.992 1.459 994.629 o -10 5 2 120.366 125.480 5.337 76.482 o -10 5 3 277.835 275.384 6.102 52.630 o -10 5 4 12.357 12.139 2.140 503.678 o -10 5 5 608.060 620.837 9.266 22.836 o -10 5 6 1726.040 1722.480 23.429 4.041 o -10 5 7 322.887 322.067 7.425 37.349 o -10 5 8 157.339 153.181 4.535 95.179 o -10 5 9 254.162 248.918 6.832 44.838 o -10 5 10 52.736 52.258 3.573 171.808 o -10 5 11 714.853 697.310 11.725 15.205 o -10 5 12 22.057 14.280 3.051 253.073 o -10 5 13 521.994 525.633 12.814 13.707 o -10 5 14 25.239 23.845 4.177 138.417 o -10 5 15 14.750 13.238 4.060 149.575 o -10 5 16 67.103 63.501 5.657 73.679 o -10 5 17 1.500 4.220 3.602 195.052 o -10 5 18 29.006 33.182 7.415 45.381 o -10 5 19 1.974 -2.972 4.697 115.293 o -10 5 20 23.466 16.275 6.092 67.200 o -10 5 21 0.204 -7.168 5.619 80.721 o -10 5 22 9.969 -6.044 7.862 41.068 o -10 5 23 100.887 101.532 17.815 7.932 o 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106.006 107.062 7.408 43.147 o -10 6 17 31.983 28.762 5.592 78.490 o -10 6 18 224.953 205.515 12.007 16.669 o -10 6 19 25.739 16.084 5.700 76.389 o -10 6 20 44.568 41.015 7.340 45.874 o -10 6 21 8.019 15.406 6.407 61.486 o -10 6 22 21.824 11.671 7.758 41.855 o -10 7 -9 45.205 41.437 6.623 55.918 o -10 7 -8 144.093 138.688 6.982 46.860 o -10 7 -7 19.778 21.663 3.623 183.095 o -10 7 -6 7.560 5.071 4.566 120.743 o -10 7 -5 338.526 338.147 8.606 29.019 o -10 7 -4 157.673 147.800 6.177 57.543 o -10 7 -3 48.746 49.611 3.812 154.847 o -10 7 -2 0.244 -0.085 1.937 678.669 o -10 7 -1 434.362 432.380 8.073 30.697 o -10 7 0 19.184 18.212 3.004 261.096 o -10 7 1 522.842 535.223 11.186 17.333 o -10 7 2 470.609 465.922 9.411 23.608 o -10 7 3 383.484 373.321 8.430 29.430 o -10 7 4 584.124 580.535 10.770 18.151 o -10 7 5 30.320 31.640 3.655 175.014 o -10 7 6 2.341 0.476 2.433 425.798 o -10 7 7 1982.840 2022.140 25.728 3.357 o -10 7 8 388.375 396.976 9.672 23.260 o -10 7 9 477.040 501.806 12.442 14.573 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36.425 31.245 4.037 144.365 o -10 9 -1 267.938 274.573 9.643 24.537 o -10 9 0 1.519 -4.227 3.117 261.348 o -10 9 1 2.553 0.773 3.410 217.794 o -10 9 2 1248.270 1247.490 19.745 5.712 o -10 9 3 56.383 54.152 4.843 99.399 o -10 9 4 13.467 12.566 2.938 278.740 o -10 9 5 28.053 23.979 3.414 200.650 o -10 9 6 221.002 224.515 8.371 32.271 o -10 9 7 165.910 162.745 7.227 43.354 o -10 9 8 103.953 116.275 6.445 55.639 o -10 9 9 40.203 39.300 4.406 121.533 o -10 9 10 13.335 6.715 4.645 115.817 o -10 9 11 232.868 238.418 10.094 22.900 o -10 9 12 2.492 0.959 4.143 147.832 o -10 9 13 556.747 549.113 15.408 9.784 o -10 9 14 296.033 293.736 11.625 17.331 o -10 9 15 102.219 101.922 11.150 19.861 o -10 9 16 66.091 77.052 8.077 37.502 o -10 9 17 55.453 37.727 6.847 52.210 o -10 9 18 2.503 -4.845 5.715 77.896 o -10 9 19 136.323 118.115 10.773 21.028 o -10 9 20 45.836 34.828 11.453 19.193 o -10 10 -9 16.179 22.890 6.130 66.564 o -10 10 -8 13.198 2.560 5.060 98.134 o -10 10 -7 119.656 106.764 8.685 31.867 o 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3.793 175.973 o 8 0 14 98.507 99.564 13.639 13.423 o 8 0 16 204.259 224.809 15.877 9.784 o 8 0 18 126.799 127.455 16.210 9.519 o 8 1 8 46.456 55.298 4.046 139.210 o 8 1 9 62.924 60.883 4.336 119.949 o 8 1 10 201.484 200.982 7.565 39.045 o 8 1 11 19.756 18.592 3.086 247.863 o 8 1 12 140.754 130.084 6.823 49.019 o 8 1 13 244.873 248.510 11.142 19.018 o 8 1 14 114.465 104.288 6.732 51.274 o 8 1 15 63.829 59.414 5.611 75.116 o 8 1 16 251.056 259.284 12.575 15.141 o 8 1 17 3.662 15.400 8.350 36.408 o 8 1 18 48.924 50.026 8.052 38.182 o 8 2 8 3181.600 3274.820 37.500 1.611 o 8 2 9 205.427 199.149 6.780 47.104 o 8 2 10 5.376 6.293 2.322 454.221 o 8 2 11 72.794 78.068 4.942 93.147 o 8 2 12 38.351 34.082 4.621 111.786 o 8 2 13 1.490 -1.552 3.403 219.371 o 8 2 14 1.492 16.276 4.041 153.717 o 8 2 15 1.708 0.968 3.188 249.402 o 8 2 16 103.709 92.489 7.459 42.783 o 8 2 17 215.115 230.444 15.303 10.491 o 8 3 8 17.631 14.465 2.152 482.678 o 8 3 9 120.277 123.443 5.094 82.864 o 8 3 10 1.076 3.584 2.620 367.521 o 8 3 11 8.857 11.586 2.461 395.831 o 8 3 12 81.685 83.160 5.351 79.958 o 8 3 13 38.819 38.359 3.695 168.037 o 8 3 14 0.039 0.564 2.700 349.369 o 8 3 15 268.291 275.385 9.431 25.524 o 8 3 16 139.288 151.719 6.810 48.945 o 8 3 17 140.320 135.887 10.035 23.998 o 8 4 8 17.156 17.216 3.721 175.635 o 8 4 9 100.320 89.744 4.032 126.905 o 8 4 10 678.936 670.491 16.611 8.370 o 8 4 11 53.287 47.075 6.331 60.561 o 8 4 12 91.944 85.348 9.063 29.754 o 8 4 13 0.015 -1.638 4.563 122.418 o 8 4 14 9.737 4.557 5.693 77.898 o 8 4 15 102.134 108.869 10.157 23.758 o 8 4 16 190.625 181.721 13.378 13.670 o 8 4 17 281.271 293.056 17.210 8.285 o 8 5 8 12.031 12.172 2.818 303.091 o 8 5 9 218.995 219.978 10.734 20.555 o 8 5 10 521.126 510.359 15.568 9.660 o 8 5 11 155.980 147.494 9.423 26.863 o 8 5 12 0.101 -0.764 4.936 104.621 o 8 5 13 0.400 1.944 4.747 112.971 o 8 5 14 297.848 281.612 15.163 10.545 o 8 5 15 75.029 53.473 8.595 33.307 o 8 5 16 0.197 9.001 6.969 52.366 o 8 6 8 237.474 258.059 7.395 39.510 o 8 6 9 432.212 421.533 9.607 23.186 o 8 6 10 17.852 19.246 5.074 96.335 o 8 6 11 308.192 306.157 17.079 8.381 o 8 6 12 199.960 219.008 15.638 10.084 o 8 6 13 322.015 297.822 17.167 8.291 o 8 6 14 7.623 2.412 5.622 80.064 o 8 6 15 18.247 3.491 6.498 59.638 o 8 6 16 52.114 50.989 9.102 30.035 o 8 7 8 578.186 606.905 11.533 16.169 o 8 7 9 511.624 527.258 16.668 8.517 o 8 7 10 0.085 2.138 4.377 132.866 o 8 7 11 0.005 -0.479 7.123 50.248 o 8 7 12 0.629 5.514 5.205 93.784 o 8 7 13 23.393 15.620 5.722 75.977 o 8 7 14 136.641 145.045 14.900 11.204 o 8 7 15 131.813 122.318 11.296 19.209 o 8 8 8 886.625 906.000 16.435 8.252 o 8 8 9 9.351 11.394 3.507 200.814 o 8 8 10 1.460 3.967 3.303 231.703 o 8 8 11 5.079 -4.592 4.804 109.836 o 8 8 12 179.630 161.186 11.284 18.987 o 8 8 13 60.933 48.532 7.820 40.215 o 8 8 14 8.236 4.518 7.065 50.795 o 8 9 8 85.782 88.211 6.592 54.389 o 8 9 9 25.709 23.175 7.641 42.953 o 8 9 10 32.321 29.442 4.295 129.540 o 8 9 11 893.571 910.310 16.982 7.785 o 8 9 12 13.819 6.519 6.631 57.405 o 8 9 13 43.430 48.052 8.321 35.905 o 8 10 8 95.945 92.901 7.757 39.883 o 8 10 9 11.269 17.742 6.501 59.589 o 8 10 10 133.513 131.274 9.466 26.871 o 8 10 11 20.673 15.090 9.021 31.045 o 8 10 12 89.381 58.097 12.772 15.335 o 8 11 8 0.593 -4.556 5.676 79.093 o 8 11 9 19.732 15.899 6.207 64.946 o 8 11 10 61.399 51.502 13.666 13.486 o 8 12 8 19.696 30.686 8.531 34.595 o 9 0 9 356.493 354.659 12.824 14.243 o 9 0 11 131.923 135.590 11.011 20.146 o 9 0 13 134.935 147.369 12.587 15.547 o 9 0 15 0.850 -5.400 6.497 60.368 o 9 0 17 316.247 250.430 29.379 2.913 o 9 1 9 8.166 6.424 3.018 270.982 o 9 1 10 77.529 72.624 5.273 82.765 o 9 1 11 30.835 32.491 4.482 119.577 o 9 1 12 281.031 270.346 9.776 23.870 o 9 1 13 52.879 45.216 4.867 99.311 o 9 1 14 156.374 170.462 8.552 32.046 o 9 1 15 37.918 38.047 5.232 88.322 o 9 1 16 18.374 14.396 5.506 82.284 o 9 1 17 122.963 120.663 11.963 17.231 o 9 2 9 68.331 63.876 4.310 120.185 o 9 2 10 95.833 101.185 5.929 65.350 o 9 2 11 22.483 21.025 4.139 141.650 o 9 2 12 36.018 29.628 3.909 153.452 o 9 2 13 94.568 103.221 8.802 31.349 o 9 2 14 3.495 1.883 3.492 207.085 o 9 2 15 1.659 3.889 4.303 136.992 o 9 2 16 529.769 568.094 15.928 9.225 o 9 2 17 11.433 12.658 5.035 98.738 o 9 3 9 2.788 1.396 2.126 552.956 o 9 3 10 635.776 641.448 15.064 10.043 o 9 3 11 137.546 136.000 7.706 39.324 o 9 3 12 63.695 65.500 7.158 47.410 o 9 3 13 261.906 276.383 11.252 18.558 o 9 3 14 10.971 23.279 8.912 31.858 o 9 3 15 79.441 81.838 6.254 60.291 o 9 3 16 137.120 141.905 13.386 13.802 o 9 4 9 13.721 13.668 2.110 511.236 o 9 4 10 42.836 35.802 6.467 58.724 o 9 4 11 304.544 300.036 20.562 5.860 o 9 4 12 236.638 214.670 11.764 17.270 o 9 4 13 170.576 178.302 15.932 9.777 o 9 4 14 873.913 888.900 24.241 4.074 o 9 4 15 13.003 14.361 7.086 50.249 o 9 4 16 228.462 231.955 16.357 9.211 o 9 5 9 148.387 148.145 9.936 24.364 o 9 5 10 159.131 158.830 9.333 27.285 o 9 5 11 29.787 21.659 5.832 72.676 o 9 5 12 23.087 12.698 5.921 71.149 o 9 5 13 201.390 206.037 13.391 13.599 o 9 5 14 686.066 722.559 24.533 4.037 o 9 5 15 20.367 33.023 7.921 40.021 o 9 5 16 4.475 -7.095 8.745 33.285 o 9 6 9 275.543 294.453 12.357 15.536 o 9 6 10 23.106 22.742 6.533 58.505 o 9 6 11 1.771 6.176 5.529 83.060 o 9 6 12 416.954 426.355 17.024 8.301 o 9 6 13 60.528 75.278 8.462 34.365 o 9 6 14 48.071 36.169 7.297 46.366 o 9 6 15 41.336 36.083 10.239 23.961 o 9 7 9 9.905 13.609 2.869 294.050 o 9 7 10 14.099 18.232 8.751 33.027 o 9 7 11 46.955 53.986 9.804 26.000 o 9 7 12 89.460 87.672 8.606 32.861 o 9 7 13 106.444 119.932 13.351 13.959 o 9 7 14 4.032 -15.916 9.665 27.261 o 9 8 9 68.561 69.255 6.680 53.855 o 9 8 10 18.467 14.757 6.519 59.054 o 9 8 11 61.528 44.747 7.560 42.950 o 9 8 12 41.619 42.031 8.285 36.275 o 9 8 13 8.184 2.538 8.378 36.193 o 9 9 9 198.794 215.281 10.404 21.894 o 9 9 10 205.421 198.622 7.455 40.013 o 9 9 11 60.725 56.312 7.906 39.318 o 9 9 12 9.877 18.376 7.200 48.704 o 9 10 9 15.009 18.065 4.583 117.845 o 9 10 10 328.474 311.848 13.082 13.835 o 9 10 11 173.281 160.503 15.913 9.806 o 9 11 9 0.487 -6.942 11.277 20.043 o 10 0 10 349.618 359.292 26.140 3.654 o 10 0 12 258.082 250.305 12.882 14.464 o 10 0 14 6.578 -8.474 5.079 98.191 o 10 0 16 207.234 235.880 22.873 4.793 o 10 1 10 6.470 9.307 3.213 240.163 o 10 1 11 52.186 53.194 5.656 74.863 o 10 1 12 297.414 301.540 10.026 22.633 o 10 1 13 4.159 4.232 3.463 209.709 o 10 1 14 3.091 8.685 5.212 93.175 o 10 1 15 8.853 13.705 4.504 123.198 o 10 1 16 76.019 62.761 15.684 10.246 o 10 2 10 204.697 218.936 10.026 23.404 o 10 2 11 51.004 48.892 5.009 94.176 o 10 2 12 13.950 11.573 3.264 228.208 o 10 2 13 8.851 9.898 3.312 225.076 o 10 2 14 4.080 4.704 3.944 162.113 o 10 2 15 3.001 5.723 8.908 32.068 o 10 2 16 254.414 226.568 11.135 19.044 o 10 3 10 33.549 35.523 9.847 25.933 o 10 3 11 3.874 1.906 3.371 221.860 o 10 3 12 45.010 40.432 4.686 107.704 o 10 3 13 146.711 143.021 9.903 24.545 o 10 3 14 1.720 -0.813 7.649 43.536 o 10 3 15 110.450 117.910 11.386 19.007 o 10 3 16 11.453 0.498 12.777 15.586 o 10 4 10 7.892 10.328 7.132 49.790 o 10 4 11 39.665 26.295 7.582 43.309 o 10 4 12 74.240 77.505 8.853 31.337 o 10 4 13 8.048 3.472 6.191 66.074 o 10 4 14 553.369 574.465 20.353 5.825 o 10 4 15 54.852 43.694 11.706 18.336 o 10 5 10 83.034 74.591 8.178 36.395 o 10 5 11 213.356 232.412 13.966 12.504 o 10 5 12 0.017 0.452 7.618 43.926 o 10 5 13 374.545 383.490 17.231 8.162 o 10 5 14 155.176 155.883 11.931 17.163 o 10 5 15 0.135 5.842 6.669 57.217 o 10 6 10 100.018 118.733 10.128 23.872 o 10 6 11 195.730 205.427 14.805 11.223 o 10 6 12 416.274 442.122 20.553 5.795 o 10 6 13 153.881 172.696 12.398 15.925 o 10 6 14 0.066 7.855 8.328 36.700 o 10 7 10 27.467 31.171 6.562 57.691 o 10 7 11 0.031 -3.470 7.088 50.736 o 10 7 12 0.388 6.569 5.864 73.933 o 10 7 13 40.712 22.359 10.489 22.892 o 10 8 10 65.176 72.563 9.555 27.133 o 10 8 11 214.687 195.892 12.509 15.466 o 10 8 12 0.021 -4.731 6.656 57.540 o 10 9 10 18.876 13.175 6.403 61.184 o 10 9 11 32.724 38.528 8.557 34.179 o 10 10 10 10.846 1.857 9.593 27.613 o 11 0 11 93.250 86.236 12.006 17.256 o 11 0 13 601.102 629.493 21.073 5.427 o 11 0 15 346.912 355.980 26.616 3.528 o 11 1 11 381.014 396.945 12.212 15.455 o 11 1 12 0.168 1.802 4.098 151.520 o 11 1 13 120.556 119.536 7.661 40.170 o 11 1 14 59.594 56.555 5.824 70.363 o 11 1 15 174.151 158.420 12.444 15.775 o 11 2 11 7.670 4.546 3.693 183.472 o 11 2 12 116.535 117.660 6.857 49.356 o 11 2 13 50.002 54.069 5.690 74.118 o 11 2 14 125.465 115.010 8.831 30.781 o 11 2 15 116.559 129.068 11.831 17.612 o 11 3 11 0.773 1.136 3.640 191.941 o 11 3 12 45.642 44.012 5.488 79.930 o 11 3 13 73.720 71.922 5.149 86.725 o 11 3 14 32.337 28.144 9.943 25.474 o 11 3 15 0.001 -13.589 9.046 31.153 o 11 4 11 101.267 93.224 9.132 29.203 o 11 4 12 53.068 51.728 8.315 35.801 o 11 4 13 0.642 6.860 6.210 65.928 o 11 4 14 80.423 83.970 11.110 20.128 o 11 5 11 281.092 310.175 16.187 9.311 o 11 5 12 202.341 196.947 12.960 14.485 o 11 5 13 216.013 202.342 13.535 13.300 o 11 5 14 1.488 3.925 7.614 43.910 o 11 6 11 96.859 78.712 8.765 31.705 o 11 6 12 625.320 654.710 20.764 5.567 o 11 6 13 84.008 89.078 10.073 24.314 o 11 7 11 10.507 5.287 6.049 69.030 o 11 7 12 44.086 13.657 12.674 15.740 o 11 8 11 75.858 79.774 10.867 21.046 o 12 0 12 235.955 241.778 15.044 10.806 o 12 0 14 0.007 -0.558 9.304 29.450 o 12 1 12 17.446 13.514 4.173 141.303 o 12 1 13 90.877 87.529 6.674 53.015 o 12 1 14 152.959 145.344 10.502 21.926 o 12 2 12 21.373 21.373 5.097 95.053 o 12 2 13 0.071 2.133 4.231 142.149 o 12 2 14 166.379 172.425 11.905 17.173 o 12 3 12 10.204 16.459 5.549 81.508 o 12 3 13 33.640 36.103 5.737 74.395 o 12 3 14 201.832 179.816 13.607 13.213 o 12 4 12 15.594 11.986 6.374 61.886 o 12 4 13 169.313 192.872 13.656 13.171 o 12 5 12 50.901 36.360 8.271 36.302 o 12 5 13 152.396 137.927 11.832 17.477 o 12 6 12 2.902 8.595 7.180 49.277 o 13 0 13 395.266 410.589 19.369 6.510 o 13 1 13 204.318 192.950 11.425 18.398 o 13 2 13 119.432 112.987 10.737 21.256 o 13 3 13 67.853 54.799 5.919 67.919 o ; _olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems Cryostream 800' _olex2_exptl_crystal_mounting_method 'The crystal was mounted on a MITIGEN holder in Paratone oil' _olex2_refine_details ; Refinement using NoSpherA2, an implementation of NOn-SPHERical Atom-form-factors in Olex2. Please cite: F. Kleemiss et al. Chem. Sci. DOI 10.1039/D0SC05526C - 2021 NoSpherA2 implementation of HAR makes use of tailor-made aspherical atomic form factors calculated on-the-fly from a Hirshfeld-partitioned electron density (ED) - not from spherical-atom form factors. The ED is calculated from a gaussian basis set single determinant SCF wavefunction - either Hartree-Fock or DFT using selected funtionals - for a fragment of the crystal. This fragment can be embedded in an electrostatic crystal field by employing cluster charges or modelled using implicit solvation models, depending on the software used. The following options were used: SOFTWARE: ORCA 5.0 PARTITIONING: NoSpherA2 INT ACCURACY: Normal METHOD: R2SCAN BASIS SET: cc-pVTZ CHARGE: 0 MULTIPLICITY: 1 DATE: 2023-02-23_12-34-32 ; _olex2_submission_original_sample_id AJ008 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x+1/2,y+1/2,-z+1/2 3 -x,-y,-z 4 x-1/2,-y-1/2,z-1/2 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_refinement_flags_posn F1 F 0.746653(17) 0.52939(2) 0.246630(19) 0.01819(6) Uani 1.000000 . F2 F 0.797934(17) 0.36878(3) 0.344164(18) 0.01942(6) Uani 1.000000 . F3 F 0.712470(17) 0.32225(3) 0.205452(18) 0.01840(6) Uani 1.000000 . F4 F 0.574670(17) 0.17307(3) 0.093057(18) 0.01644(6) Uani 1.000000 . F5 F 0.504188(18) 0.00738(2) 0.120695(18) 0.01776(6) Uani 1.000000 . F6 F 0.430295(17) 0.15052(3) 0.016974(17) 0.01643(6) Uani 1.000000 . O1 O 0.14130(2) 0.15500(3) 0.18960(2) 0.02020(7) Uani 1.000000 . O2 O 0.65987(2) 0.80008(3) 0.56423(2) 0.02003(7) Uani 1.000000 . C1 C 0.66918(3) 0.10939(5) 0.44093(3) 0.01835(10) Uani 1.000000 . H1 H 0.7140(4) 0.0790(6) 0.5086(4) 0.0385(18) Uani 1.000000 . C2 C 0.60029(3) 0.02299(5) 0.38518(3) 0.01763(10) Uani 1.000000 . H2 H 0.5916(4) -0.0767(6) 0.4085(4) 0.0381(17) Uani 1.000000 . C3 C 0.54211(3) 0.06541(4) 0.29934(3) 0.01431(9) Uani 1.000000 . H3 H 0.4872(4) -0.0010(5) 0.2571(4) 0.0305(16) Uani 1.000000 . C4 C 0.55205(3) 0.19241(4) 0.26493(3) 0.01067(8) Uani 1.000000 . C5 C 0.62179(3) 0.27814(4) 0.32019(3) 0.01133(8) Uani 1.000000 . C6 C 0.67897(3) 0.23568(5) 0.40842(3) 0.01554(9) Uani 1.000000 . H6 H 0.7313(4) 0.3037(5) 0.4527(4) 0.0323(16) Uani 1.000000 . C7 C 0.48248(3) 0.23196(4) 0.16994(3) 0.00982(8) Uani 1.000000 . C8 C 0.49197(3) 0.37972(4) 0.14575(3) 0.01009(8) Uani 1.000000 . C9 C 0.56073(3) 0.46604(4) 0.20216(3) 0.01051(8) Uani 1.000000 . C10 C 0.63816(3) 0.41926(4) 0.29048(3) 0.01062(8) Uani 1.000000 . C11 C 0.42468(3) 0.43188(5) 0.06507(3) 0.01274(9) Uani 1.000000 . H11 H 0.3705(4) 0.3655(5) 0.0218(4) 0.0271(15) Uani 1.000000 . C12 C 0.42546(3) 0.56614(5) 0.04027(3) 0.01494(9) Uani 1.000000 . H12 H 0.3740(4) 0.6019(5) -0.0234(4) 0.0322(16) Uani 1.000000 . C13 C 0.49283(3) 0.65326(5) 0.09775(3) 0.01543(9) Uani 1.000000 . H13 H 0.4939(4) 0.7589(5) 0.0813(4) 0.0324(16) Uani 1.000000 . C14 C 0.55925(3) 0.60331(4) 0.17744(3) 0.01364(9) Uani 1.000000 . H14 H 0.6108(4) 0.6710(5) 0.2226(4) 0.0295(15) Uani 1.000000 . C15 C 0.72461(3) 0.41058(4) 0.27198(3) 0.01346(9) Uani 1.000000 . C16 C 0.49765(3) 0.14007(4) 0.09993(3) 0.01213(8) Uani 1.000000 . C17 C 0.64857(3) 0.52145(4) 0.36596(3) 0.01187(8) Uani 1.000000 . C18 C 0.38666(3) 0.21257(4) 0.16673(3) 0.01041(8) Uani 1.000000 . C19 C 0.33279(3) 0.09685(4) 0.13297(3) 0.01307(9) Uani 1.000000 . H19 H 0.3537(4) 0.0162(5) 0.1004(4) 0.0302(16) Uani 1.000000 . C20 C 0.25051(3) 0.08197(5) 0.14011(3) 0.01451(9) Uani 1.000000 . H20 H 0.2089(4) -0.0074(5) 0.1126(4) 0.0355(17) Uani 1.000000 . C21 C 0.22043(3) 0.18158(4) 0.18214(3) 0.01382(9) Uani 1.000000 . C22 C 0.27149(3) 0.29985(5) 0.21328(3) 0.01482(9) Uani 1.000000 . H22 H 0.2494(4) 0.3817(5) 0.2439(4) 0.0325(16) Uani 1.000000 . C23 C 0.35338(3) 0.31379(4) 0.20510(3) 0.01308(9) Uani 1.000000 . H23 H 0.3920(4) 0.4069(5) 0.2295(4) 0.0311(16) Uani 1.000000 . C24 C 0.57384(3) 0.53758(5) 0.38699(3) 0.01479(9) Uani 1.000000 . H24 H 0.5129(3) 0.4783(5) 0.3512(4) 0.0228(14) Uani 1.000000 . C25 C 0.57395(3) 0.62897(5) 0.45252(3) 0.01561(9) Uani 1.000000 . H25 H 0.5139(4) 0.6406(6) 0.4653(4) 0.0379(17) Uani 1.000000 . C26 C 0.65158(3) 0.70675(4) 0.49925(3) 0.01419(9) Uani 1.000000 . C27 C 0.72735(3) 0.69072(5) 0.48019(3) 0.01587(9) Uani 1.000000 . H27 H 0.7880(4) 0.7513(6) 0.5170(4) 0.0383(17) Uani 1.000000 . C28 C 0.72595(3) 0.59924(4) 0.41427(3) 0.01467(9) Uani 1.000000 . H28 H 0.7857(4) 0.5901(6) 0.4012(4) 0.0350(17) Uani 1.000000 . C29 C 0.11439(4) 0.24908(7) 0.24020(5) 0.02708(13) Uani 1.000000 . H29a H 0.1670(4) 0.2604(7) 0.3074(5) 0.054(2) Uani 1.000000 . H29b H 0.0534(4) 0.2086(7) 0.2425(5) 0.061(2) Uani 1.000000 . H29c H 0.1000(5) 0.3483(7) 0.2063(5) 0.059(2) Uani 1.000000 . C30 C 0.58116(4) 0.83042(6) 0.57906(4) 0.02478(11) Uani 1.000000 . H30a H 0.6040(4) 0.9114(7) 0.6304(5) 0.057(2) Uani 1.000000 . H30b H 0.5561(4) 0.7414(6) 0.6010(4) 0.0440(18) Uani 1.000000 . H30c H 0.5260(5) 0.8685(7) 0.5173(5) 0.053(2) Uani 1.000000 . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 F1 0.01670(14) 0.01735(13) 0.02462(16) -0.00353(10) 0.01268(12) -0.00068(11) F2 0.01013(12) 0.02416(14) 0.02168(15) 0.00110(10) 0.00439(11) -0.00004(11) F3 0.01562(13) 0.01973(14) 0.02190(15) -0.00104(10) 0.00989(12) -0.00600(11) F4 0.01381(13) 0.01921(14) 0.01907(14) -0.00002(10) 0.00962(11) -0.00226(11) F5 0.02199(14) 0.01194(12) 0.02110(15) 0.00156(10) 0.01073(12) -0.00151(10) F6 0.01524(13) 0.02081(14) 0.01224(13) 0.00023(10) 0.00477(11) -0.00276(10) O1 0.01343(16) 0.02469(18) 0.02544(19) -0.00642(13) 0.01106(14) -0.00684(14) O2 0.02584(18) 0.01861(17) 0.01639(17) 0.00006(14) 0.00958(14) -0.00350(13) C1 0.0169(2) 0.0187(2) 0.0149(2) 0.00163(18) 0.00221(19) 0.00685(18) H1 0.038(4) 0.039(4) 0.025(4) -0.001(3) -0.001(3) 0.016(3) C2 0.0172(2) 0.0152(2) 0.0179(2) 0.00095(18) 0.00492(19) 0.00786(18) H2 0.036(4) 0.031(4) 0.042(4) -0.005(3) 0.012(3) 0.015(3) C3 0.0142(2) 0.0112(2) 0.0157(2) -0.00074(16) 0.00447(18) 0.00409(17) H3 0.028(4) 0.028(4) 0.025(4) -0.010(3) 0.001(3) 0.001(3) C4 0.01000(19) 0.00992(19) 0.0113(2) -0.00008(15) 0.00366(16) 0.00180(15) C5 0.01012(19) 0.01097(19) 0.0110(2) 0.00024(15) 0.00260(16) 0.00169(15) C6 0.0135(2) 0.0159(2) 0.0125(2) -0.00004(17) 0.00086(17) 0.00303(17) H6 0.025(4) 0.033(4) 0.027(4) -0.003(3) -0.001(3) 0.005(3) C7 0.00899(19) 0.00970(19) 0.0105(2) -0.00007(15) 0.00380(15) 0.00060(15) C8 0.00909(19) 0.01039(19) 0.0106(2) 0.00088(15) 0.00397(16) 0.00185(15) C9 0.01030(19) 0.00949(19) 0.0118(2) 0.00020(15) 0.00471(16) 0.00160(15) C10 0.00932(19) 0.01067(19) 0.0116(2) -0.00053(15) 0.00408(16) 0.00038(15) C11 0.0113(2) 0.0137(2) 0.0123(2) 0.00234(16) 0.00393(17) 0.00332(16) H11 0.025(4) 0.026(3) 0.023(4) -0.002(3) 0.004(3) 0.002(3) C12 0.0167(2) 0.0143(2) 0.0142(2) 0.00521(17) 0.00684(18) 0.00520(17) H12 0.036(4) 0.026(4) 0.028(4) 0.011(3) 0.006(3) 0.011(3) C13 0.0211(2) 0.0111(2) 0.0163(2) 0.00348(17) 0.00997(19) 0.00438(17) H13 0.044(4) 0.021(3) 0.031(4) 0.002(3) 0.014(3) 0.009(3) C14 0.0170(2) 0.0097(2) 0.0152(2) -0.00003(16) 0.00771(18) 0.00198(16) H14 0.029(4) 0.021(3) 0.037(4) -0.009(3) 0.013(3) 0.000(3) C15 0.0103(2) 0.0142(2) 0.0164(2) -0.00107(16) 0.00612(17) -0.00142(16) C16 0.0116(2) 0.0125(2) 0.0129(2) 0.00057(15) 0.00566(17) -0.00047(16) C17 0.0106(2) 0.0118(2) 0.0130(2) -0.00116(15) 0.00473(16) -0.00075(15) C18 0.00935(19) 0.0109(2) 0.0110(2) -0.00083(15) 0.00430(15) -0.00081(15) C19 0.0114(2) 0.0128(2) 0.0152(2) -0.00210(16) 0.00576(17) -0.00289(17) H19 0.028(4) 0.027(4) 0.044(4) -0.004(3) 0.023(3) -0.010(3) C20 0.0121(2) 0.0147(2) 0.0171(2) -0.00426(16) 0.00654(18) -0.00409(17) H20 0.030(4) 0.030(4) 0.047(5) -0.021(3) 0.016(4) -0.011(3) C21 0.0101(2) 0.0168(2) 0.0151(2) -0.00243(16) 0.00579(17) -0.00225(17) C22 0.0122(2) 0.0156(2) 0.0186(2) -0.00198(17) 0.00837(18) -0.00403(17) H22 0.028(4) 0.027(4) 0.050(5) -0.003(3) 0.024(3) -0.011(3) C23 0.0118(2) 0.0125(2) 0.0165(2) -0.00219(16) 0.00744(17) -0.00321(16) H23 0.023(4) 0.021(3) 0.053(5) -0.011(3) 0.020(3) -0.015(3) C24 0.0110(2) 0.0179(2) 0.0156(2) -0.00117(17) 0.00575(18) -0.00246(17) H24 0.010(3) 0.033(4) 0.026(4) -0.008(3) 0.008(3) -0.012(3) C25 0.0135(2) 0.0185(2) 0.0148(2) 0.00112(17) 0.00586(18) -0.00111(17) H25 0.027(4) 0.048(4) 0.047(5) 0.008(3) 0.024(4) -0.004(3) C26 0.0171(2) 0.0128(2) 0.0127(2) 0.00094(16) 0.00623(17) 0.00082(16) C27 0.0170(2) 0.0153(2) 0.0160(2) -0.00497(17) 0.00755(18) -0.00301(17) H27 0.034(4) 0.042(4) 0.042(5) -0.020(3) 0.018(4) -0.013(3) C28 0.0134(2) 0.0157(2) 0.0160(2) -0.00470(17) 0.00717(18) -0.00338(17) H28 0.030(4) 0.041(4) 0.047(5) -0.007(3) 0.029(4) -0.011(3) C29 0.0181(3) 0.0373(3) 0.0326(3) -0.0089(2) 0.0173(3) -0.0147(3) H29a 0.040(5) 0.080(6) 0.044(5) -0.022(4) 0.021(4) -0.020(4) H29b 0.040(5) 0.076(5) 0.086(6) -0.025(4) 0.044(5) -0.038(5) H29c 0.059(5) 0.041(5) 0.089(7) 0.005(4) 0.042(5) 0.000(4) C30 0.0313(3) 0.0257(3) 0.0211(3) 0.0056(2) 0.0146(2) -0.0017(2) H30a 0.057(5) 0.057(5) 0.048(5) 0.001(4) 0.014(4) -0.037(4) H30b 0.050(5) 0.042(4) 0.054(5) -0.002(4) 0.035(4) 0.002(4) H30c 0.049(5) 0.071(5) 0.043(5) 0.029(4) 0.021(4) 0.014(4) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00347 0.00161 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' F 0.01794 0.01033 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' H 0.00000 0.00000 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' O 0.01158 0.00611 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 2 0 0 51.59 2.2 2 0 0 52.63 2.07 2 0 0 53.51 2.1 2 0 0 55.62 2.1 -2 0 0 50.56 2.06 -2 0 0 50.83 1.72 -2 0 0 51.44 2.22 -2 0 0 49.12 2.01 -3 0 0 0.67 0.61 3 0 0 0.37 0.44 -3 0 0 0.76 0.48 -3 0 0 0.24 0.33 -3 0 0 0.16 0.45 3 0 0 0.18 0.22 3 0 0 0.37 0.53 3 0 0 -0.18 0.39 3 0 0 0.15 0.4 -3 0 0 0.42 0.26 -4 0 0 219.23 7.39 -4 0 0 230.75 7.42 -4 0 0 221.28 7.5 4 0 0 229.07 7.89 -4 0 0 217.06 7.77 4 0 0 234.85 7.56 4 0 0 223.44 7.58 4 0 0 228.51 8.04 -4 0 0 232.94 6.77 5 0 0 -0.57 0.46 5 0 0 -0.39 0.5 5 0 0 -0.58 0.39 -5 0 0 -0.43 0.42 -5 0 0 0.23 0.32 -5 0 0 0.31 0.42 5 0 0 -0.41 0.48 -5 0 0 -0.04 0.5 5 0 0 0.14 0.26 -5 0 0 -0.11 0.51 -6 0 0 520.77 16.33 6 0 0 523.7 16.53 -6 0 0 515.11 16.53 6 0 0 558.42 16.87 -6 0 0 553.81 15.36 6 0 0 525.85 15.16 6 0 0 540.33 17.2 6 0 0 546.95 16.64 -6 0 0 523.73 17.03 -6 0 0 544.91 16.33 -7 0 0 -0.43 0.49 -7 0 0 0.48 0.55 -7 0 0 -1.48 0.41 7 0 0 0.31 0.66 7 0 0 -0.26 0.73 -7 0 0 0.75 0.82 7 0 0 -0.07 0.56 -7 0 0 -0.13 0.39 7 0 0 0.36 0.33 7 0 0 -0.63 0.54 8 0 0 48.88 4.35 -8 0 0 50.14 3.78 8 0 0 44.35 2.14 -8 0 0 49.28 3.1 -8 0 0 46.55 3.34 -8 0 0 50.45 2.39 8 0 0 51.43 3.46 8 0 0 52.29 3.6 8 0 0 47.58 3.33 -8 0 0 52.1 3.8 -9 0 0 1.57 0.85 -9 0 0 0.08 0.67 9 0 0 0.26 0.35 -9 0 0 -0.61 0.94 -9 0 0 0.44 0.93 -9 0 0 -0.95 0.37 9 0 0 0.19 0.89 9 0 0 0.2 1.04 9 0 0 -0.07 0.77 9 0 0 0.34 0.83 -10 0 0 76.29 3.15 10 0 0 71.25 4.95 -10 0 0 67.57 4.97 -10 0 0 71.55 4.18 -10 0 0 72.28 4.75 10 0 0 71.38 4.73 10 0 0 68.77 2.91 10 0 0 77.37 4.79 -11 0 0 -0.57 1.19 11 0 0 0.64 1.13 11 0 0 -0.62 1.01 11 0 0 0.01 0.39 11 0 0 0.3 1.05 -11 0 0 1.31 0.82 -11 0 0 0.43 1.29 -11 0 0 0.24 0.45 12 0 0 463.82 17.2 -12 0 0 471.58 16.09 -12 0 0 468.29 17.28 12 0 0 487.85 13.61 -12 0 0 473.48 18.19 13 0 0 0.41 1.38 -13 0 0 0.2 1.11 -13 0 0 1.84 1.91 -13 0 0 1.48 1.69 14 0 0 1229.6 40.5 -14 0 0 1317.27 41.01 -14 0 0 1266.76 39.61 14 0 0 1202.66 39.16 15 0 0 -0.52 1.62 -15 0 0 -1.91 1.51 15 0 0 -0.49 1.48 -15 0 0 -1.36 1.54 16 0 0 78.62 7.24 -16 0 0 68.41 6.15 16 0 0 63.86 5.96 -16 0 0 69.6 6.85 -16 0 0 73.28 5.12 17 0 0 -0.03 1.71 -17 0 0 1.97 2.11 17 0 0 -1.44 2.5 -17 0 0 2.8 2.38 18 0 0 92.98 8.75 -18 0 0 96.9 8.49 18 0 0 105.27 8.1 -18 0 0 106.27 7.97 19 0 0 1.36 2.28 -19 0 0 1.96 3 -20 0 0 18.46 4.65 -20 0 0 7.23 3.38 20 0 0 13.51 3.92 -21 0 0 4.52 3.08 21 0 0 -2.31 2.13 -21 0 0 1.95 3.26 -22 0 0 10.72 4.35 -1 -1 0 106.57 3.68 -1 -1 0 104.3 3.78 1 -1 0 116.09 3.57 -1 -1 0 116.09 3.79 1 -1 0 113.61 3.42 -1 -1 0 106.1 3.88 1 -1 0 109.15 3.51 1 -1 0 113.19 3.26 1 -1 0 117.95 3.75 -1 -1 0 112.06 3.49 1 1 0 105.55 3.88 1 1 0 111.02 3.74 1 1 0 112.66 3.86 -1 1 0 112.91 3.46 -2 -1 0 76.81 3.03 2 -1 0 70.1 2.36 -2 -1 0 71.31 2.79 2 -1 0 68.91 2.56 -2 -1 0 75.07 2.93 2 -1 0 71.78 2.66 -2 -1 0 69.42 2.79 2 -1 0 70.28 2.62 -2 -1 0 69.96 2.94 2 -1 0 65.73 2.68 2 1 0 72.5 2.83 -2 1 0 73.81 2.75 -2 1 0 68.7 2.48 -2 1 0 73.79 2.61 -2 1 0 73.99 2.67 2 1 0 75.65 3.05 2 1 0 72.33 2.97 2 1 0 71.03 2.86 2 1 0 70.72 2.8 -2 1 0 74.88 2.4 -3 -1 0 366.6 11.81 3 -1 0 392.01 11.81 -3 -1 0 391.05 12.24 -3 -1 0 410.85 12.36 3 -1 0 402.69 11.94 3 -1 0 398.58 11.61 3 -1 0 402.56 12.2 -3 -1 0 421.64 12.46 3 -1 0 402.52 11.63 3 1 0 417.8 12.47 3 1 0 411.49 11.95 3 1 0 419.36 12.3 3 1 0 423.77 12.52 -3 1 0 407.74 11.76 -3 1 0 414.84 11.73 -3 1 0 407.34 11.66 -3 1 0 408.43 12.2 4 -1 0 31.61 1.95 -4 -1 0 32.37 1.81 -4 -1 0 34.07 2.28 -4 -1 0 36.66 2.26 -4 -1 0 28.69 2.16 4 -1 0 27.84 1.69 4 -1 0 32.28 1.56 4 -1 0 30.87 1.56 4 -1 0 36.11 2.27 4 -1 0 33.69 1.95 4 1 0 34.49 2.2 4 1 0 30.44 1.76 4 1 0 34.83 2.31 -4 1 0 31.78 1.79 -4 1 0 32.98 2.21 -4 1 0 30.7 1.75 4 1 0 35.98 2.31 -4 1 0 31.09 1.71 4 1 0 36.48 2.31 -5 -1 0 181.49 6.7 5 -1 0 173.79 6.26 -5 -1 0 156.02 5.77 -5 -1 0 179 6.82 5 -1 0 165.99 6.06 5 -1 0 180.04 5.5 5 -1 0 175.84 6.76 -5 -1 0 178.37 6.87 5 -1 0 174.62 5.53 5 -1 0 164.17 6.29 -5 1 0 175.3 6.75 5 1 0 171.45 6.79 5 1 0 183.31 6.93 5 1 0 172.74 5.91 -5 1 0 172.94 6.1 5 1 0 169.49 6.68 -5 1 0 176.82 5.95 -5 1 0 175.02 5.98 5 1 0 167.53 6.53 -6 -1 0 21.14 2.13 6 -1 0 22.55 2.17 6 -1 0 22.69 1.28 6 -1 0 19.64 1.7 6 -1 0 20.93 1.3 -6 -1 0 16.52 2.2 -6 -1 0 20.87 1.55 6 -1 0 20.55 1.84 -6 -1 0 23.92 2.13 6 -1 0 20.17 1.89 -6 1 0 22.16 1.68 -6 1 0 22.62 1.68 6 1 0 22.12 2.2 6 1 0 19.88 1.53 -6 1 0 19.47 2.35 6 1 0 24.48 2.19 -6 1 0 21.9 1.83 6 1 0 22.67 2.21 6 1 0 24.07 2.15 7 -1 0 234.49 7.06 -7 -1 0 216.45 8.93 -7 -1 0 214.43 8.56 -7 -1 0 221.94 8.81 7 -1 0 222.33 8.34 7 -1 0 213.33 8.07 7 -1 0 227.48 9.07 -7 -1 0 232.52 7.65 -7 1 0 233.38 8.28 7 1 0 220.73 8.95 7 1 0 234.61 8.77 -7 1 0 218.95 8.89 7 1 0 227.71 9.22 7 1 0 235.5 8.96 -7 1 0 226.74 8.09 -7 1 0 222.68 7.83 8 -1 0 27.14 2.35 -8 -1 0 22.6 2.89 8 -1 0 23.09 1.28 8 -1 0 24.73 2.43 8 -1 0 23.23 2.35 -8 -1 0 30.28 2.52 -8 -1 0 23.4 1.83 -8 -1 0 25.05 3.09 8 -1 0 29.53 2.96 8 -1 0 26 1.48 8 1 0 28.79 2.71 -8 1 0 26.37 2.04 -8 1 0 26.37 2.37 8 1 0 27.23 1.88 -8 1 0 23.04 2.95 8 1 0 26.1 2.61 8 1 0 28.03 2.69 9 -1 0 17.51 2.34 9 -1 0 15.75 2.28 -9 -1 0 23.46 3.04 -9 -1 0 15.62 2.4 -9 -1 0 21.7 1.8 -9 -1 0 21.59 2.66 9 -1 0 20.45 1.24 -9 -1 0 17.92 2.75 9 -1 0 19.58 3.06 9 -1 0 16.35 2.43 9 -1 0 17.31 1.1 -9 1 0 22.33 2.04 -9 1 0 18.48 2.45 -9 1 0 24.2 2.06 9 1 0 23.03 3.08 9 1 0 17.42 3.08 -9 1 0 17.06 2.72 9 1 0 20.53 2.75 9 1 0 22.94 3.31 9 1 0 18.99 1.62 -10 -1 0 66.25 4.73 10 -1 0 65.96 4.22 10 -1 0 58.97 2.32 -10 -1 0 53.14 4.46 -10 -1 0 61.97 4.05 10 -1 0 64.44 4.58 10 -1 0 69.27 4.46 10 -1 0 55.7 2.22 -10 1 0 55.42 4.53 -10 1 0 59.97 3.5 -10 1 0 63.13 4.2 10 1 0 60.55 4.65 10 1 0 59.97 4.58 10 1 0 62.66 3.16 10 1 0 63.01 4.45 -11 -1 0 733.18 25.88 11 -1 0 786.91 24.85 11 -1 0 758.8 24.89 -11 -1 0 800.56 25.64 -11 -1 0 752.98 24.4 11 -1 0 753.97 25.33 11 1 0 770.42 22.63 11 1 0 783.44 26.07 -11 1 0 773.9 25.81 -11 1 0 763.37 23.37 -11 1 0 794.5 24.74 11 1 0 783.12 25.22 12 -1 0 9.74 2.41 -12 -1 0 11.88 2.28 12 -1 0 7.85 2.17 12 -1 0 12.69 2.54 -12 -1 0 12.9 2.84 -12 -1 0 3.73 1.88 -12 1 0 10.38 2.45 -12 1 0 15.01 3.23 12 1 0 10.62 1.48 -12 1 0 9.69 1.78 12 1 0 5.51 2.22 12 1 0 6.78 2.15 -13 -1 0 324.24 10.65 13 -1 0 314.98 12.91 -13 -1 0 293.19 12.05 -13 -1 0 301.52 13.72 -13 -1 0 308.45 13.5 13 -1 0 306.6 13.53 13 1 0 326.45 10.7 13 1 0 304.79 13.96 -13 1 0 314.42 13.87 -13 1 0 288.37 10.97 13 1 0 318.74 13.17 -13 1 0 291.37 12.48 14 -1 0 191.7 10.4 -14 -1 0 192.69 10.85 14 -1 0 195.53 9.84 -14 -1 0 191.2 6.76 -14 -1 0 183.63 8.93 -14 -1 0 208.35 10.63 -14 1 0 194.93 9.72 -14 1 0 215.9 11.09 14 1 0 182.24 10.52 14 1 0 198.23 10.01 14 1 0 194.79 8.37 -15 -1 0 50.35 4.44 -15 -1 0 42.16 5.6 -15 -1 0 52.34 6.48 15 -1 0 54.37 5.1 15 -1 0 54.84 5.51 -15 1 0 51.69 6.32 -15 1 0 47.11 4.78 15 1 0 53.62 5.15 16 -1 0 29.02 4.9 -16 -1 0 28.5 4.98 16 -1 0 30.61 4.51 -16 -1 0 37.27 4.68 -16 -1 0 35.21 5.33 -16 1 0 23.85 4.05 16 1 0 27.19 4.99 -16 1 0 39.48 5.87 16 1 0 29.77 4.54 17 -1 0 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7.55 18 2 0 39.83 7.04 -19 -2 0 0.83 2.9 19 -2 0 6.98 2.69 19 -2 0 12.15 4 -19 -2 0 -0.75 2.4 -19 2 0 -2.64 2.57 -19 2 0 5.95 2.5 19 2 0 4.78 2.77 -20 -2 0 56.46 7.94 20 -2 0 51.88 6.56 -20 -2 0 56.79 7.81 -20 2 0 46.15 7.3 20 2 0 53.2 6.9 -20 2 0 65.64 6.62 -21 -2 0 18.52 5.03 21 -2 0 12.27 3.55 -21 -2 0 11.64 4.55 -21 2 0 10.87 4.29 -21 2 0 7.24 3.64 21 2 0 8.8 3.77 -22 -2 0 2.05 3.61 22 -2 0 1.75 2.51 -22 -2 0 1.77 3.39 -22 2 0 -4.77 3.23 0 -3 0 -0.13 0.62 0 -3 0 -0.08 0.44 0 -3 0 0.84 0.54 0 -3 0 -0.57 0.46 0 3 0 0.1 0.5 0 3 0 0.11 0.1 0 3 0 0.22 0.16 0 3 0 0.97 0.59 0 3 0 0.89 0.67 0 3 0 0.69 0.48 -1 -3 0 131.92 4.09 -1 -3 0 134.11 5.69 1 -3 0 134.4 5.58 1 -3 0 127.92 3.82 1 -3 0 128.05 4.9 1 -3 0 128.48 5.13 1 -3 0 129.69 4.51 -1 -3 0 136.31 5.16 1 3 0 136.4 5.1 1 3 0 135.61 5.12 -1 3 0 130.97 5.62 1 3 0 131.26 5.44 1 3 0 130.72 4.18 1 3 0 136.17 5.77 -1 3 0 126.45 3.88 -1 3 0 130.06 5.1 -1 3 0 126.84 4.55 -2 -3 0 88.23 3.38 -2 -3 0 90.53 4.42 -2 -3 0 95.22 4.55 2 -3 0 92.55 3.97 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3 -4 0 17.69 1.22 -3 -4 0 15.99 2.16 3 -4 0 17.8 2.35 3 -4 0 17.72 1.29 3 -4 0 18.45 2.09 -3 4 0 20.43 1.39 -3 4 0 19.5 1.34 3 4 0 18.41 1.58 -3 4 0 23.1 1.96 -3 4 0 17.55 2.44 3 4 0 16.03 2.1 3 4 0 16.09 2.33 -3 4 0 18.48 1.69 3 4 0 21.52 2.79 3 4 0 23.28 2.65 4 -4 0 75.34 2.86 4 -4 0 74.73 3.95 4 -4 0 72.18 4.22 -4 -4 0 80.14 3.73 -4 -4 0 75.24 4.54 4 -4 0 79.6 3.49 4 -4 0 77.15 2.89 4 -4 0 83.12 4.03 -4 -4 0 78.94 4.7 -4 -4 0 80.13 4.48 -4 -4 0 82.06 4.61 4 4 0 77.51 4.71 -4 4 0 73.47 3.75 4 4 0 80.56 4.55 4 4 0 82 4.41 -4 4 0 70.24 4.31 -4 4 0 72.59 3.78 4 4 0 77.4 3.83 -4 4 0 77.07 3.64 4 4 0 75.21 4.7 -5 -4 0 19.34 2.61 -5 -4 0 16.84 2.55 5 -4 0 22.25 2.29 5 -4 0 17.86 1.2 5 -4 0 20.62 1.21 5 -4 0 23.36 2.1 -5 -4 0 22.42 2.78 5 -4 0 18.08 2.14 -5 -4 0 19.6 2.24 5 -4 0 21.13 1.82 5 4 0 20.25 2.5 -5 4 0 21.02 1.89 5 4 0 18.92 2.29 5 4 0 22.38 2.93 5 4 0 23.49 2.92 5 4 0 18.58 2.74 -5 4 0 18.71 2.5 -5 4 0 18.78 1.62 -5 4 0 19.08 1.78 -6 -4 0 31.68 2.64 6 -4 0 32.68 2.52 6 -4 0 31.77 1.68 -6 -4 0 30.83 3.03 -6 -4 0 31.83 3.01 6 -4 0 32.43 2.64 6 -4 0 30.83 1.75 -6 -4 0 34.37 3.32 -6 -4 0 29.96 3.54 6 -4 0 33.73 2.68 6 -4 0 35.08 2.79 6 4 0 36.43 3.27 6 4 0 32.14 2.82 6 4 0 31.59 3.08 -6 4 0 35.15 2.21 -6 4 0 34.19 2.26 6 4 0 32.04 3.23 -6 4 0 27.77 2.45 6 4 0 37.38 3.16 -6 4 0 33.62 2.86 7 -4 0 0.95 0.82 7 -4 0 0.55 0.47 7 -4 0 0.1 0.82 -7 -4 0 1.46 1.11 -7 -4 0 0.95 1.1 -7 -4 0 2.74 1.2 -7 -4 0 1.24 1.03 -7 -4 0 0.71 1.16 7 -4 0 0.62 0.77 7 -4 0 -0.86 0.61 7 4 0 2.49 1.28 -7 4 0 2.6 1.12 7 4 0 7.26 1.86 7 4 0 1.52 1.19 7 4 0 0.7 1 -7 4 0 1.13 0.6 7 4 0 1.17 1.08 8 -4 0 462.07 15.5 8 -4 0 463.76 15.67 -8 -4 0 466.14 16.25 -8 -4 0 458.76 16.96 8 -4 0 474.09 16.07 8 -4 0 437.3 13.95 8 -4 0 482.23 15.9 -8 -4 0 458.03 17.01 -8 -4 0 472.47 16.26 8 -4 0 430.84 15.01 -8 -4 0 487.29 17.15 -8 4 0 483.93 16.05 8 4 0 482.72 16.66 -8 4 0 467.36 14.19 -8 4 0 456.86 13.97 -8 4 0 452.59 14.15 8 4 0 489.12 16.73 8 4 0 472.36 17.64 9 -4 0 8.04 1.55 9 -4 0 3.65 1.43 9 -4 0 4.49 1.54 9 -4 0 1.34 1.22 9 -4 0 6.11 1.1 -9 -4 0 4.87 2.03 -9 -4 0 5.36 1.66 -9 -4 0 7.1 1.96 9 -4 0 3.79 1.17 -9 -4 0 6.24 1.95 9 4 0 5.75 1.9 9 4 0 5.63 2.14 9 4 0 3.83 1.52 9 4 0 6.56 2.13 -9 4 0 3.6 1.56 -9 4 0 5.53 0.99 -9 4 0 5.03 1.08 10 -4 0 2.29 1.35 10 -4 0 4.52 1.13 -10 -4 0 3.06 1.43 -10 -4 0 2.83 1.54 -10 -4 0 5.35 2.09 -10 -4 0 2.64 1.56 10 -4 0 4.6 1.3 10 -4 0 3.08 1.03 -10 4 0 3.83 1.09 10 4 0 1.81 1.56 -10 4 0 3.1 1.58 10 4 0 3.38 1.89 11 -4 0 155.8 8.04 -11 -4 0 156.94 7.68 11 -4 0 157.53 6.39 -11 -4 0 141.58 8.24 11 -4 0 145.59 6.35 11 -4 0 160.07 7.86 11 -4 0 154.26 6.44 -11 -4 0 165.81 8.68 -11 -4 0 163.92 9.08 11 4 0 154.77 8.05 11 4 0 169.07 8.69 11 4 0 151.97 9.25 -11 4 0 145.94 8.09 -11 4 0 152.9 6.58 -12 -4 0 1.67 1.44 -12 -4 0 -0.7 1.48 12 -4 0 0.86 0.87 12 -4 0 2.09 1.37 -12 -4 0 -0.51 1.52 12 -4 0 -0.31 0.73 12 -4 0 3.78 1.64 12 4 0 -2.11 1.37 12 4 0 1.68 1.66 -12 4 0 2.68 1.11 -12 4 0 1.22 1.54 -13 -4 0 0.87 1.92 -13 -4 0 -0.31 1.45 -13 -4 0 0.51 1.31 13 -4 0 0.09 1.14 13 -4 0 -1.4 0.54 13 -4 0 -0.69 1.19 13 -4 0 0.22 0.57 13 -4 0 -0.82 1 -13 4 0 0.49 1.58 -13 4 0 0.12 0.94 13 4 0 1.23 1.58 13 4 0 -2.28 1.3 13 4 0 -3.19 1.71 -14 -4 0 298.86 13.52 -14 -4 0 279.59 11.83 -14 -4 0 294.22 13.74 14 -4 0 276.79 12.58 14 -4 0 291.57 13.09 -14 -4 0 274.12 14.03 -14 4 0 284.18 11.27 14 4 0 305.72 13.72 -14 4 0 273.31 13.24 14 4 0 278.26 12.19 14 4 0 276.59 14.95 15 -4 0 7.05 2.33 -15 -4 0 8.79 2.3 15 -4 0 12.99 2.99 -15 -4 0 7.79 3.35 -15 -4 0 8.89 2.97 -15 -4 0 7.19 2.88 15 -4 0 5.91 2.03 -15 4 0 6.33 2.11 15 4 0 6.52 2.64 -15 4 0 5.55 2.68 15 4 0 8.41 2.25 15 4 0 3.62 2.81 -16 -4 0 -0.31 2.25 16 -4 0 2.97 1.97 -16 -4 0 1.34 2.35 16 -4 0 1.97 1.66 -16 -4 0 -0.68 1.44 -16 4 0 -2.56 1.56 -16 4 0 2.05 1.77 16 4 0 3.26 2.84 16 4 0 -2.04 1.63 16 4 0 1.06 2.14 -17 -4 0 0.82 2.8 17 -4 0 -1.41 1.84 -17 -4 0 6.48 3.2 17 -4 0 -0.08 1.51 -17 -4 0 2.03 1.71 17 4 0 -4.38 1.66 -17 4 0 0.94 1.6 -17 4 0 -3.6 1.95 -18 -4 0 1.85 2.91 -18 -4 0 0.89 2.49 -18 -4 0 -0.64 1.63 18 -4 0 -4.36 2.17 18 -4 0 1 1.87 18 4 0 3.08 2.38 -18 4 0 0.31 2.1 19 -4 0 0.32 3.16 -19 -4 0 7.25 3.38 -19 -4 0 9 3.81 19 -4 0 9.16 3.06 -19 4 0 8.75 2.73 -19 4 0 1.28 2.77 19 4 0 7.25 3.28 -20 -4 0 0.64 2.87 20 -4 0 3.65 2.38 -20 -4 0 3.43 3.2 20 4 0 3.82 2.97 -20 4 0 5.92 3.44 -20 4 0 0.75 2.63 -21 -4 0 5.23 4.02 -21 -4 0 -1.87 3.71 21 -4 0 4.05 3.72 21 4 0 8.53 3.26 -21 4 0 7.8 3.69 0 -5 0 0.56 0.87 0 -5 0 0.65 1.12 0 -5 0 -0.07 0.59 0 -5 0 -0.31 0.57 0 5 0 -0.92 0.8 0 5 0 -0.05 0.72 0 5 0 0.31 0.58 0 5 0 -0.25 0.71 1 -5 0 752.89 22.37 -1 -5 0 672.3 22.81 -1 -5 0 718.34 21.9 -1 -5 0 689.59 21.49 1 -5 0 723.62 22.92 -1 -5 0 684.82 22.38 1 -5 0 707.32 21.59 1 -5 0 717.59 20.9 1 5 0 693.58 19.52 1 5 0 715.87 23.29 1 5 0 713.65 21.84 1 5 0 735.62 21.83 -1 5 0 696.52 23.18 1 5 0 694.98 19.64 -1 5 0 711.13 21.08 1 5 0 718.68 22.61 -1 5 0 698.13 21.98 -2 -5 0 179.9 7.75 2 -5 0 195.38 8.54 -2 -5 0 191.22 8.68 2 -5 0 196.89 7.33 -2 -5 0 186.02 8.34 2 -5 0 197.05 7.97 -2 -5 0 199.04 7.83 2 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11.95 5 -5 0 304.7 8.81 5 -5 0 291.45 8.77 -5 -5 0 280.87 11.41 5 -5 0 288.91 11.25 5 -5 0 293.95 10.76 5 -5 0 297.22 10.62 5 -5 0 294.7 9.77 -5 -5 0 290.88 10.16 -5 5 0 296.47 9.84 5 5 0 290.93 10.44 5 5 0 288.45 12.1 5 5 0 317.92 12.48 -5 5 0 282.56 11.52 5 5 0 302.51 11.33 -5 5 0 285.63 10.28 -5 5 0 285.33 10.03 -6 -5 0 26.98 3.51 6 -5 0 32.52 2.83 6 -5 0 29.91 2.62 -6 -5 0 33.78 3.93 6 -5 0 30.96 2.41 6 -5 0 28.26 1.48 6 -5 0 28.06 1.49 -6 -5 0 27.6 2.47 6 -5 0 28.59 2.88 -6 -5 0 30.36 3.74 -6 -5 0 32.14 3.87 6 5 0 29.4 2.69 -6 5 0 31.39 3.17 6 5 0 29.57 3.42 -6 5 0 29.56 2.4 6 5 0 27.58 3.77 -6 5 0 31.18 2.25 6 5 0 28.79 3.71 -6 5 0 29.7 2.36 7 -5 0 1.82 1.07 -7 -5 0 3.84 1.59 7 -5 0 2.82 1.19 -7 -5 0 2.89 1.45 7 -5 0 1.55 0.48 7 -5 0 2.72 1.12 -7 -5 0 2.03 1.23 7 -5 0 2.12 0.55 -7 -5 0 2.65 1.56 -7 -5 0 2.86 1.39 7 -5 0 0.84 0.97 7 5 0 1.79 1.3 7 5 0 3.58 1.49 -7 5 0 3.95 1.21 7 5 0 7.14 2.07 -7 5 0 0.52 0.7 7 5 0 3.08 1.16 -7 5 0 2.54 1.41 8 -5 0 31.34 3 -8 -5 0 29.49 4.04 8 -5 0 30.42 2.96 8 -5 0 26.68 3.16 -8 -5 0 32.69 4.22 -8 -5 0 24.33 3.51 8 -5 0 26.93 2.74 -8 -5 0 25.92 3.18 8 -5 0 26.6 1.58 8 -5 0 27.97 1.7 -8 -5 0 25.27 3.65 -8 5 0 29.35 2.15 8 5 0 26.56 3.56 8 5 0 27.21 3.73 8 5 0 29.45 4.21 8 5 0 24.61 3.41 -8 5 0 24.74 2.94 9 -5 0 -0.18 0.89 -9 -5 0 0.92 1.15 -9 -5 0 -0.22 1.11 9 -5 0 0.6 0.57 9 -5 0 0.89 1.07 9 -5 0 1.22 1.13 9 -5 0 1.27 1.09 -9 -5 0 -0.58 1.28 -9 -5 0 -1.06 1.02 9 5 0 1.65 1.41 9 5 0 2.68 1.7 9 5 0 1.46 1.23 -9 5 0 -1.48 0.83 10 -5 0 18.02 2.8 -10 -5 0 21.06 3.61 10 -5 0 19.72 2.77 10 -5 0 23.39 3.16 10 -5 0 20.67 2.66 -10 -5 0 18.26 2.98 10 -5 0 21.28 3.06 -10 -5 0 17.67 3.37 10 -5 0 14.51 3.15 10 -5 0 20.54 1.64 -10 -5 0 23.02 3.52 10 5 0 22.77 3.86 10 5 0 11.84 2.81 10 5 0 18.4 3.29 -10 5 0 22.01 3.17 -11 -5 0 207.8 10.69 -11 -5 0 201.49 9.99 11 -5 0 203.79 9.58 -11 -5 0 206.84 9.81 -11 -5 0 207.72 10.93 11 -5 0 207.12 9.56 11 -5 0 206.1 8.46 11 -5 0 206.9 7.35 11 -5 0 204.9 8.71 11 5 0 209.06 10.6 -11 5 0 203.55 9.71 11 5 0 198.3 11.53 -12 -5 0 31.84 4.08 12 -5 0 25.44 2.99 12 -5 0 21.76 2.07 12 -5 0 22.14 3.47 -12 -5 0 26.92 4.12 -12 -5 0 21.89 3.94 12 -5 0 27.19 2.54 -12 -5 0 22.44 4.32 12 -5 0 25.4 3.65 12 5 0 31.78 4.5 -12 5 0 31.24 4.3 12 5 0 17.33 4.29 13 -5 0 10.48 2.67 13 -5 0 11.63 1.85 13 -5 0 13.08 2.86 -13 -5 0 7.7 3.11 13 -5 0 9.3 1.81 -13 -5 0 9.02 2.9 -13 -5 0 9.94 2.47 13 -5 0 14.06 1.96 -13 -5 0 6.19 2.52 13 5 0 12.95 3.6 13 5 0 14.87 3.49 -13 5 0 10.15 2.8 -13 5 0 12.1 2.04 -14 -5 0 76.54 6.66 -14 -5 0 78.98 5.96 -14 -5 0 78.11 6.68 14 -5 0 72.43 4.45 -14 -5 0 71.68 7.01 14 -5 0 80.12 6.14 14 -5 0 83.18 6.29 14 5 0 80.89 7.86 14 5 0 80.32 6.79 -14 5 0 85.22 6.78 -14 5 0 74.79 4.58 -15 -5 0 32.87 6.72 15 -5 0 30.87 4.58 -15 -5 0 35.52 5.41 -15 -5 0 38.44 4.81 15 -5 0 25.81 4.17 15 -5 0 29.78 3.35 -15 5 0 33.14 3.23 15 5 0 32.57 5.14 -15 5 0 29.55 4.7 15 5 0 24.56 5.37 -16 -5 0 12.23 3.95 16 -5 0 7.13 2.95 -16 -5 0 9.47 3.47 -16 -5 0 19.39 3.93 -16 -5 0 18.59 3.47 -16 5 0 21.35 4.27 16 5 0 8.47 3.04 16 5 0 12.69 4.54 -16 5 0 17.38 2.72 17 -5 0 45.79 5.9 17 -5 0 41.31 5.75 -17 -5 0 56.24 5.14 -17 -5 0 47.97 6.92 -17 -5 0 46.36 7.09 17 5 0 47.37 6.49 -17 5 0 53.21 6.72 -17 5 0 49.43 4.35 -18 -5 0 5.15 2.93 -18 -5 0 1.25 3.02 18 -5 0 1.26 2.19 18 -5 0 0.5 2.63 -18 -5 0 2.22 2.22 -18 5 0 0.66 2.64 -18 5 0 0.9 1.92 18 5 0 1.1 2.2 -19 -5 0 3.7 2.52 -19 -5 0 -0.38 3.43 -19 -5 0 1.41 3.25 19 -5 0 2.34 2.12 -19 5 0 1.95 2.91 19 5 0 3.72 2.86 -19 5 0 2.58 2.37 -20 -5 0 5.38 3.82 -20 -5 0 1.13 3.06 20 -5 0 1.64 2.09 -20 5 0 4.21 3.37 20 5 0 -2.19 2.86 21 -5 0 -2.48 1.98 -21 -5 0 4.14 4.6 -21 5 0 -3.22 2.75 21 5 0 1.27 3.08 0 -6 0 493.42 15.67 0 -6 0 485.97 16.25 0 -6 0 476.1 17.49 0 -6 0 494.3 16.96 0 6 0 484.72 16.26 0 6 0 463.34 17.77 0 6 0 479.7 15.78 1 -6 0 246.63 9.62 1 -6 0 260.74 10.38 1 -6 0 255.23 9.03 1 -6 0 261.79 11.06 -1 -6 0 252.06 10.99 -1 -6 0 242.75 9.46 -1 -6 0 259.11 10.61 1 6 0 249.17 7.28 1 6 0 251.66 9.89 1 6 0 252.37 7.22 -1 6 0 241.58 10.12 -1 6 0 251.92 9.2 1 6 0 241.71 11.18 1 6 0 276.38 9.99 1 6 0 247.76 10.59 -1 6 0 230.07 11.96 2 -6 0 107.95 5.86 -2 -6 0 101.46 5.45 2 -6 0 100.64 4.55 2 -6 0 105.06 5.32 -2 -6 0 109.72 5.76 2 -6 0 111.79 6.46 -2 -6 0 94.09 6.16 -2 -6 0 112.69 6.32 -2 6 0 109.68 4.84 -2 6 0 103.22 5.4 2 6 0 108.58 3.97 2 6 0 100.71 5.55 2 6 0 107.27 3.81 2 6 0 108.23 6.74 2 6 0 110.75 5.74 -2 6 0 105.91 5.6 -3 -6 0 75.51 5.39 -3 -6 0 71.64 4.76 3 -6 0 76.49 4.79 -3 -6 0 79.14 5.36 3 -6 0 92.97 5.66 -3 -6 0 70.71 4.66 3 -6 0 76.69 2.7 3 -6 0 72.69 4.34 3 6 0 74.19 5.37 3 6 0 77.63 3.54 -3 6 0 78.76 3.74 -3 6 0 85.86 6.75 3 6 0 75.26 5.65 3 6 0 73.59 5.32 -3 6 0 76.46 4.49 -3 6 0 80.98 4.62 -3 6 0 80.55 2.83 -4 -6 0 76.13 5.31 -4 -6 0 72.65 4.85 4 -6 0 69.95 3.11 4 -6 0 71.65 3.28 4 -6 0 74.13 4.67 4 -6 0 72.03 4.29 -4 -6 0 79.77 5.5 -4 -6 0 72.54 3.5 -4 -6 0 76.38 5.02 4 -6 0 68.79 4.98 -4 6 0 73.06 5.33 4 6 0 70.24 4.66 4 6 0 70.92 3.71 4 6 0 73.63 5.34 4 6 0 71.35 4.91 -4 6 0 73.33 3.12 4 6 0 64.69 5.28 -5 -6 0 42.59 4.06 5 -6 0 44.74 2.15 -5 -6 0 46.94 4.3 5 -6 0 43.99 2.15 5 -6 0 45.37 4.01 5 -6 0 44.08 3.61 5 -6 0 46.08 2.59 -5 -6 0 46.65 4.02 -5 -6 0 45.34 2.92 5 -6 0 46.07 3.43 -5 -6 0 44.72 4.02 5 6 0 46.76 4.11 -5 6 0 41.43 3.16 -5 6 0 46.98 2.66 5 6 0 50.94 3.99 5 6 0 43.91 3.13 5 6 0 49.15 4.47 -5 6 0 40.09 4 -6 -6 0 1.62 1.37 6 -6 0 0.49 0.38 -6 -6 0 1.34 1.44 6 -6 0 1.28 1.06 6 -6 0 -0.79 0.76 6 -6 0 1.32 1.23 6 -6 0 3.04 0.9 -6 -6 0 -0.44 0.75 -6 -6 0 -0.2 1.29 -6 -6 0 1.73 1.27 6 -6 0 0.49 0.36 6 6 0 2.55 1.25 6 6 0 -0.03 1.3 6 6 0 0.16 0.94 -6 6 0 0.2 0.72 -6 6 0 0.16 1.21 -6 6 0 3.06 1.04 7 -6 0 0.74 0.28 7 -6 0 -1.47 0.95 -7 -6 0 1.45 1.32 -7 -6 0 -0.35 1.37 7 -6 0 0.73 0.83 7 -6 0 -1.14 0.66 7 -6 0 -0.31 0.24 -7 -6 0 0.2 1.3 -7 -6 0 -0.25 0.82 -7 -6 0 -0.91 0.98 7 6 0 1.66 1.39 7 6 0 0.25 1.1 -7 6 0 -0.53 0.68 -7 6 0 -0.54 0.6 7 6 0 -1.32 1.1 -8 -6 0 2.37 1.72 8 -6 0 4.32 1.36 -8 -6 0 3.31 1.89 -8 -6 0 2.86 1.36 8 -6 0 4.02 0.41 8 -6 0 3.37 0.4 8 -6 0 2.35 1.36 8 -6 0 5.44 1.63 8 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1.05 1.41 -4 -7 0 214.4 10.34 -4 -7 0 207.35 9.81 4 -7 0 199.39 9.97 4 -7 0 199.46 6.29 -4 -7 0 221 9.76 4 -7 0 207.18 8.9 4 -7 0 212.38 9.47 -4 -7 0 201.77 10.38 -4 7 0 206.77 6.44 4 7 0 198.18 10.36 4 7 0 195.55 7.53 -4 7 0 209.13 8.97 4 7 0 219.51 9.64 -5 -7 0 0.14 0.66 -5 -7 0 0.32 1.35 5 -7 0 0.29 0.98 5 -7 0 0.09 0.47 5 -7 0 -0.79 1.07 5 -7 0 0.75 1.46 -5 -7 0 -2.06 1.1 -5 -7 0 -2.02 1.02 5 -7 0 0.78 0.54 5 -7 0 0.9 0.57 -5 7 0 -0.16 0.86 -5 7 0 1.08 0.91 5 7 0 0.16 0.81 5 7 0 -0.31 0.97 5 7 0 2.88 1.87 -6 -7 0 353.64 17.19 6 -7 0 399.52 15.16 -6 -7 0 415.48 16.72 -6 -7 0 398.93 18.07 -6 -7 0 414.84 13.64 6 -7 0 391.17 12.81 6 -7 0 419.61 16.04 6 -7 0 401.76 14.66 6 -7 0 433.86 11.72 6 -7 0 404.29 11.61 6 7 0 392.05 16.89 6 7 0 404.78 15.55 -6 7 0 403.96 12.94 -6 7 0 414.81 14.35 6 7 0 397.64 14.08 -7 -7 0 219.85 11.2 7 -7 0 204.04 9.36 -7 -7 0 220.81 11.18 -7 -7 0 219.03 8.91 7 -7 0 214.21 10.42 -7 -7 0 224.48 10.94 -7 -7 0 225.68 11.21 7 -7 0 209.31 8.3 7 -7 0 224.19 10.04 7 7 0 232.57 12.02 -7 7 0 225.58 8.43 -7 7 0 232.18 13.17 -7 7 0 222.21 8.89 7 7 0 228.34 10.66 8 -7 0 39.04 3.31 8 -7 0 50.07 4.37 -8 -7 0 48.7 5.81 8 -7 0 49.84 4.57 -8 -7 0 45.97 5.59 -8 -7 0 48.53 5.77 -8 -7 0 48.65 3.81 8 -7 0 50.2 4.16 8 7 0 52.98 4.9 8 7 0 47.01 6.12 -8 7 0 49.65 3.54 8 7 0 41.62 4.63 -8 7 0 45.24 4.73 9 -7 0 115.85 6.9 9 -7 0 126.42 7.11 -9 -7 0 125.27 6.82 -9 -7 0 125.92 8.41 9 -7 0 112.22 6.98 -9 -7 0 135.89 8.54 -9 -7 0 126.92 8.33 9 -7 0 135.3 7.59 -9 7 0 130.18 6.47 9 7 0 120.12 8.98 9 7 0 138.88 8.23 -10 -7 0 2.67 2.3 -10 -7 0 5.05 2.26 10 -7 0 2.06 1.69 10 -7 0 2.16 1.65 -10 -7 0 4.35 2.36 10 -7 0 -0.25 1.63 -10 -7 0 6.35 2.45 10 -7 0 4.85 1.85 10 -7 0 3.21 1.71 -10 7 0 5.92 1.78 10 7 0 2.46 1.96 10 7 0 3.56 2.8 11 -7 0 3.03 1.49 11 -7 0 -1.85 1.13 11 -7 0 0.06 1.32 -11 -7 0 -1.63 1.85 -11 -7 0 0.62 1.53 11 -7 0 1.94 1.89 -11 -7 0 1.64 1.49 -11 -7 0 1.56 1.88 11 7 0 3.07 2.74 -11 7 0 -0.23 1.18 11 7 0 -2.14 1.55 12 -7 0 7.28 2.26 -12 -7 0 3.68 2.81 12 -7 0 9.67 2.51 -12 -7 0 4.42 2.73 -12 -7 0 6.2 2.36 12 -7 0 1.84 2.03 12 -7 0 8.92 2.31 -12 -7 0 8.46 3.33 -12 7 0 11.7 2.7 12 7 0 2.67 2.18 12 7 0 3.91 3.19 -13 -7 0 124.82 8.24 -13 -7 0 139.59 10.1 13 -7 0 131.14 7.96 -13 -7 0 139.43 8.96 13 -7 0 140.62 7.34 13 -7 0 135.86 8.66 -13 -7 0 143.04 9.87 13 7 0 137.68 9.28 -13 7 0 128.11 7.92 -14 -7 0 38.83 5.59 -14 -7 0 33.79 8.46 -14 -7 0 31.98 5.08 14 -7 0 35.59 4.89 14 -7 0 35.17 4.24 -14 -7 0 36.85 8.55 14 -7 0 37.18 3.51 14 -7 0 26.41 6.28 -14 7 0 28.41 4.48 14 7 0 32.94 5.33 -15 -7 0 88.61 8.61 -15 -7 0 92.31 8.88 15 -7 0 83.91 6.77 -15 -7 0 84.15 7.24 15 -7 0 89.94 7.16 15 -7 0 89.01 5.14 -15 -7 0 80.01 6.94 -15 7 0 86.66 7.09 15 7 0 91.56 7.87 -16 -7 0 22.36 6.88 16 -7 0 25.34 4.37 16 -7 0 26.35 4.43 -16 -7 0 23.23 4.59 -16 -7 0 21.2 5.35 -16 7 0 30.22 4.94 16 7 0 21.01 4.62 17 -7 0 -0.94 2.72 -17 -7 0 -6.88 1.93 17 -7 0 1.74 1.97 -17 -7 0 -3.67 2.51 -17 -7 0 -2.69 2.34 -17 7 0 2.33 2.43 17 7 0 -1.13 2.38 18 -7 0 0.5 2.33 -18 -7 0 3.06 3.9 -18 -7 0 4.06 3.11 -18 -7 0 -5.07 2.16 18 7 0 1.51 2.68 -18 7 0 0.58 2.77 -19 -7 0 18.29 5.36 -19 -7 0 16.69 4.6 -19 -7 0 8.09 3.89 19 -7 0 4.71 3.3 -19 7 0 9.33 3.96 19 7 0 8.94 4.22 -20 -7 0 72.51 9.82 -20 -7 0 65.89 10.45 20 7 0 64.91 8.5 -20 7 0 58.13 8.29 0 -8 0 47.32 3.7 0 -8 0 49.34 4.97 0 -8 0 48.32 4.15 0 -8 0 45.73 4.61 0 8 0 44.69 4.16 0 8 0 51.48 3.97 -1 -8 0 20.42 3.52 1 -8 0 21.46 3.92 -1 -8 0 17.79 2.9 1 -8 0 21.12 2.68 1 -8 0 22.63 3.72 -1 -8 0 17.25 3.58 -1 -8 0 16.94 2.69 1 -8 0 19.97 3.01 1 8 0 22 3.26 -1 8 0 22.4 2.98 -2 -8 0 154.43 9.02 -2 -8 0 164.35 8.18 -2 -8 0 174.76 9.78 2 -8 0 166.33 10.36 2 -8 0 164.89 8.18 -2 -8 0 165.97 8.65 2 -8 0 188.02 9.99 2 -8 0 174.84 7.21 -2 8 0 173.71 8.43 2 8 0 172.52 8.53 -2 8 0 170.42 7.51 2 8 0 169.99 8.56 3 -8 0 -0.43 1.2 -3 -8 0 -0.97 1.15 -3 -8 0 -2.97 0.98 3 -8 0 -0.61 0.74 3 -8 0 -0.06 1.5 3 -8 0 2.18 1.28 -3 -8 0 -0.02 1.43 -3 -8 0 -0.15 1.39 3 8 0 -0.59 0.44 -3 8 0 0.13 1.18 -3 8 0 0.58 0.91 4 -8 0 54.88 3.08 -4 -8 0 51.52 4.89 4 -8 0 63.22 5.06 4 -8 0 64.4 5.6 -4 -8 0 53.95 4.81 4 -8 0 48.64 4.06 -4 -8 0 55.13 5.34 -4 -8 0 52.74 5.37 -4 8 0 55.51 3.31 -4 8 0 51.89 4.22 4 8 0 44.6 4.41 4 8 0 47.86 2.75 4 8 0 51.2 3 5 -8 0 17.81 2.91 -5 -8 0 18.24 3.51 -5 -8 0 19.48 3.79 5 -8 0 20.62 3.5 5 -8 0 17.03 3.99 -5 -8 0 24.47 6.17 -5 -8 0 18.61 3.82 5 -8 0 21.28 1.25 5 -8 0 21.2 1.94 5 8 0 19.08 2.29 -5 8 0 23.84 3.13 -5 8 0 23.53 1.35 5 8 0 20.28 3.51 6 -8 0 394.26 18.25 -6 -8 0 413.58 17.25 6 -8 0 415.63 11.91 -6 -8 0 408.57 13.73 6 -8 0 436.78 11.92 -6 -8 0 422.81 17.67 6 -8 0 413.32 15.47 -6 -8 0 421.88 17.68 6 -8 0 402.75 12.65 6 -8 0 417.26 16.23 -6 -8 0 438.5 17.02 6 8 0 421.67 16.59 -6 8 0 422.42 13.91 6 8 0 405.69 14.35 -6 8 0 405.37 15 -7 -8 0 195.16 8.31 7 -8 0 208.46 10.18 -7 -8 0 201.64 11.17 7 -8 0 207.86 7.6 -7 -8 0 203.32 10.79 7 -8 0 200.4 9.42 -7 -8 0 210.57 11.42 -7 8 0 200.72 7.58 -7 8 0 203.99 10.52 7 8 0 231.78 10.91 -8 -8 0 100 7.58 8 -8 0 77.78 5.52 -8 -8 0 81.16 4.98 8 -8 0 78.98 4.39 8 -8 0 85.18 6.19 -8 -8 0 73.21 6.59 -8 -8 0 79.8 6.87 -8 8 0 78.9 4.65 8 8 0 86.79 6.48 -8 8 0 82.44 4.44 8 8 0 73.71 5.29 -9 -8 0 101.62 7.61 9 -8 0 99 6.2 9 -8 0 90.92 6.46 -9 -8 0 104.43 8 -9 -8 0 91.94 5.71 9 -8 0 90.66 5.64 -9 -8 0 94.82 7.55 9 8 0 102.14 7.32 -9 8 0 91.33 5.19 -10 -8 0 301.45 12.63 -10 -8 0 326.37 15.13 10 -8 0 337.29 14.06 10 -8 0 341.41 16.36 -10 -8 0 301.03 15.13 -10 -8 0 297.11 15.19 10 -8 0 291.86 12.91 10 -8 0 300.85 12.12 -10 8 0 313.98 12.05 10 8 0 320.49 14.65 -11 -8 0 0.65 2.3 11 -8 0 0.75 1.48 11 -8 0 -0.35 1.62 -11 -8 0 -2.58 1.69 -11 -8 0 -1.02 2.04 -11 -8 0 0.17 1.46 11 -8 0 3.75 2.07 11 8 0 -3.24 1.61 -11 8 0 0.84 1.52 12 -8 0 39.25 4.89 -12 -8 0 41.03 5.91 -12 -8 0 44.73 6.23 12 -8 0 47.1 5.58 -12 -8 0 43.51 5.17 12 -8 0 38.38 4.87 -12 -8 0 48.22 6.79 12 8 0 40.27 5.74 -12 8 0 43.92 5.2 -13 -8 0 115.33 9.47 13 -8 0 118.59 7.28 -13 -8 0 128.96 9.24 -13 -8 0 128.53 8.14 13 -8 0 99.97 7.27 13 8 0 115.6 8.85 -13 8 0 136.25 7.84 14 -8 0 39.03 5.21 -14 -8 0 30.12 4.8 14 -8 0 23.16 3.71 -14 -8 0 31.49 5.72 -14 -8 0 28.78 5.69 -14 -8 0 32.21 5.28 14 -8 0 27.41 4.79 -14 8 0 30.15 4.55 14 8 0 28.61 5.21 -15 -8 0 17 5.02 -15 -8 0 14 4.49 -15 -8 0 17.27 4.23 15 -8 0 14.58 2.82 15 -8 0 17.93 3.94 -15 -8 0 15.46 3.74 15 -8 0 18.67 3.72 -15 8 0 12.69 3.46 15 8 0 26.21 5.01 16 -8 0 74.65 7.08 16 -8 0 88.12 7.54 -16 -8 0 87.16 11.05 -16 -8 0 76.17 7.48 -16 -8 0 108.72 8.25 16 8 0 83.3 8.34 -16 8 0 87.48 8.29 -17 -8 0 2.27 2.81 -17 -8 0 6.76 4.01 17 -8 0 4.15 2.87 -17 8 0 -1.18 2.97 17 8 0 6.11 3.54 -18 -8 0 4.89 3.53 -18 -8 0 -4.75 3.97 -18 -8 0 1.04 3.42 18 -8 0 3.62 2.89 -18 8 0 7.92 3.59 18 8 0 1.93 3.49 19 -8 0 10.03 3.58 -19 -8 0 9.31 4.52 -19 -8 0 6.37 3.61 -19 -8 0 12.08 5.13 19 8 0 6.85 4.38 -19 8 0 7.01 3.52 0 -9 0 -1.45 1.27 0 -9 0 1.37 1.46 0 -9 0 -0.29 1.13 0 -9 0 0.55 1.78 0 9 0 -0.65 1.25 0 9 0 0.21 1.33 -1 -9 0 8.52 2.85 1 -9 0 12.27 3.16 -1 -9 0 11.1 2.94 1 -9 0 12.95 3.22 -1 -9 0 8.92 2.25 1 -9 0 7.56 2.8 -1 -9 0 9.03 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14 26.85 5.16 -1 -7 -14 9.76 4.99 1 -7 14 14.65 2.59 1 -7 14 12.65 2.74 -1 -7 -14 14.15 4.28 1 -7 14 19.07 5.24 -1 -7 -14 12.69 3.67 1 -7 14 11.48 2.76 1 7 14 14.98 3.96 2 -7 14 86.6 6.3 -2 -7 -14 80.9 7.98 2 -7 14 85.39 10.43 -2 -7 -14 98.86 9.45 -2 -7 -14 79.9 7.85 2 -7 14 91.49 5.32 2 7 14 89.01 8.27 2 7 14 93.17 7.44 -3 -7 -14 48.58 8.04 3 -7 14 47.24 3.27 3 -7 14 50.38 4.93 3 -7 14 48.39 7.83 3 -7 14 49.75 3.52 -3 -7 -14 42.6 6.82 3 -7 14 40.37 6.53 3 7 14 40.18 6.49 4 -7 14 7.24 1.2 -4 -7 -14 4.41 3.13 4 -7 14 1.18 3.04 4 -7 14 6.15 1.26 4 -7 14 10.14 3.3 -4 -7 -14 5.12 3.82 4 -7 14 7.34 2.32 4 7 14 5.61 2.68 4 7 14 7.34 3.52 -5 -7 -14 19.86 5.39 -5 -7 -14 23.62 6.03 5 -7 14 20.75 3.85 5 -7 14 27.23 6.34 5 7 14 22.96 5.13 5 7 14 26.37 5.06 6 -7 14 -0.71 1.84 -6 -7 -14 2.72 3.29 6 -7 14 2.31 2.84 6 -7 14 2.16 3.16 -6 -7 -14 8.93 3.89 6 7 14 1.14 2.54 6 7 14 -2.08 2.27 7 -7 14 4.55 3.65 -7 -7 -14 22.42 5.56 7 -7 14 4.02 3.04 -7 -7 -14 3.16 3.58 7 7 14 8.42 3.57 7 7 14 8.33 3.46 -8 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34.79 6.54 14 -8 -14 27.34 6.12 -14 -8 14 25.9 4.31 -14 -8 14 12.75 4.37 14 -8 -14 28.28 4.87 -14 8 14 17.66 6.12 -14 8 14 20.79 4.51 -13 -8 14 135.67 8.94 -13 -8 14 158.01 11.52 13 -8 -14 136.47 9.96 -13 -8 14 151.82 11.64 13 -8 -14 142.98 12.04 -13 8 14 136.64 12.18 -13 8 14 126.26 11.47 -12 -8 14 3.28 3.2 12 -8 -14 8.09 4.07 -12 -8 14 4.04 3 12 -8 -14 7.35 3.02 -12 -8 14 7.83 2.53 -12 -8 14 2.46 3.57 -12 8 14 3.74 3.87 -12 8 14 12.29 3.48 -11 -8 14 -0.75 2.39 -11 -8 14 4.03 2.7 -11 -8 14 1.12 2.52 -11 -8 14 5.24 2.22 11 -8 -14 2.59 3.15 -11 8 14 2.13 1.32 -11 8 14 2.83 3.35 -11 8 14 -0.67 2.07 11 8 -14 0.46 2.84 -10 -8 14 49.42 4.92 10 -8 -14 50.02 7.77 -10 -8 14 49.97 6.99 10 -8 -14 50.28 6.88 -10 -8 14 62.26 8.4 -10 -8 14 67.45 9.29 -10 -8 14 61.17 7.76 -10 8 14 52.26 6.59 10 8 -14 46.07 5.37 -10 8 14 53.6 4.34 -10 8 14 61.16 8.62 -9 -8 14 95.42 8.36 9 -8 -14 90.29 9.42 9 -8 -14 80.79 9.88 -9 -8 14 100.05 11.73 -9 -8 14 87.56 9.16 -9 -8 14 83.34 7.92 -9 -8 14 95.93 6.45 9 8 -14 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3.66 -13 5 23 -15.65 4.19 -12 -5 23 22.3 8.43 -12 -5 23 7.58 4.75 -12 -5 23 17.91 6.05 12 -5 -23 8.31 4.97 -12 -5 23 11.16 4.55 -12 5 23 6.84 5.27 -12 5 23 9.32 4.84 -11 -5 23 8.65 4.16 11 -5 -23 12.6 5.59 -11 -5 23 12.24 6.35 -11 -5 23 6.65 3.83 -11 5 23 8.73 5.21 -11 5 23 6.83 4.07 -10 -5 23 16.92 9.63 10 -5 -23 18.71 6.15 -10 -5 23 27.35 5.69 -10 -5 23 -4.65 6.78 -10 5 23 26.94 6.27 -10 5 23 16.58 5.94 -9 -5 23 -4.5 3.23 -9 -5 23 0.07 3.86 9 -5 -23 3.56 5.35 -9 5 23 1.98 4.18 -9 5 23 2.92 3.94 -8 -5 23 9.05 7.79 -8 -5 23 23.46 5.27 -8 -5 23 27.61 7.93 -8 -5 23 18.54 5.91 -8 5 23 34.38 7.57 -8 5 23 21.8 5.62 -7 -5 23 -3.25 2.44 -7 -5 23 3.67 4.06 7 -5 -23 -6.5 7.39 -7 -5 23 8.2 5.08 -7 -5 23 -2.91 2.8 -7 5 23 5.11 3.81 -7 5 23 -1.04 4.07 -7 5 23 -2.84 3.78 -6 -5 23 80.39 9.54 -6 -5 23 70.27 9.84 6 -5 -23 58.21 10.38 -6 -5 23 81 12.2 -6 -5 23 81.24 8.1 -6 5 23 80.17 11.08 -6 5 23 68.17 9.2 -6 5 23 71.43 10.35 -5 -5 23 -1.89 2.66 5 -5 -23 1.71 5.09 -5 -5 23 1.15 4.53 -5 -5 23 2.01 3.95 -5 5 23 5.26 4.74 -5 5 23 10.59 7.35 -16 0 24 13.44 5.77 -16 0 24 8.91 4.45 -16 0 24 11.95 5.02 15 0 -24 -4.53 3.5 -15 0 24 -2.28 4.49 -15 0 24 -2.62 3.76 -15 0 24 -4.47 3.34 -14 0 24 29.97 6.73 14 0 -24 14.27 5.76 -14 0 24 15.76 5.4 -14 0 24 15.51 6.76 -13 0 24 0.94 3.41 13 0 -24 3.06 4.29 -13 0 24 0.58 3.72 -12 0 24 8.67 4.36 -12 0 24 14.78 5.74 12 0 -24 15.6 6.06 -12 0 24 11.41 4.68 11 0 -24 8.32 5.1 -11 0 24 4.14 3.67 -11 0 24 4.74 3.8 -11 0 24 -3.65 2.71 -10 0 24 15.92 4.91 10 0 -24 15.04 5.54 -10 0 24 14.65 5.06 -10 0 24 18.1 6.12 9 0 -24 2.61 4.36 -9 0 24 -5.98 3.31 -9 0 24 0.49 3.33 -9 0 24 -5.83 2.45 -8 0 24 -1.07 3.24 8 0 -24 -0.65 4.02 -8 0 24 -2.45 3 -8 0 24 -4.82 3.09 -7 0 24 -1.32 3.26 7 0 -24 0.77 5.29 -7 0 24 -6.4 3.26 -7 0 24 4.33 3.96 6 0 -24 -3.38 4.4 -5 0 24 4.48 4.66 5 0 -24 -3.98 4.24 -5 0 24 1.2 3.63 -5 0 24 2.62 3.72 -4 0 24 16.69 5.86 -4 0 24 6.76 4.11 4 0 -24 7.1 5.34 -4 0 24 9.06 4.69 -16 -1 24 35.88 7.78 16 -1 -24 19.49 6.33 -16 1 24 20.04 5.36 -16 1 24 26.39 7.6 -15 -1 24 -6.57 3.35 15 -1 -24 2.49 4.86 -15 1 24 6.5 3.72 -15 1 24 0.1 4.81 -15 1 24 -2.64 4 -14 -1 24 17.42 6.38 -14 -1 24 31.5 6.51 14 -1 -24 11.19 6.38 -14 1 24 22.17 6.94 -14 1 24 12.26 5.16 -14 1 24 20.55 5.37 -13 -1 24 11.86 4.72 13 -1 -24 0.59 4.74 -13 -1 24 18.64 5.4 -13 -1 24 19.17 5.88 -13 1 24 6.59 4.2 -13 1 24 17.62 4.97 13 1 -24 1 4.04 -12 -1 24 11.39 4.59 -12 -1 24 -2.3 3.87 12 -1 -24 4.92 4.92 -12 -1 24 2.09 4.04 -12 1 24 3.75 4.05 12 1 -24 9.78 5.12 -12 1 24 9.2 4.3 11 -1 -24 20.71 6.98 -11 -1 24 22.04 5.54 -11 -1 24 12.51 5.3 -11 -1 24 33.41 7.2 11 1 -24 19.37 6.15 -11 1 24 20.58 5.84 -11 1 24 23.86 5.96 -11 1 24 19.05 5.78 -10 -1 24 8.61 4.56 -10 -1 24 9.88 4.33 -10 -1 24 12.95 5.04 10 -1 -24 6.03 5.59 10 1 -24 6.24 5.43 -10 1 24 13.44 5.27 -10 1 24 7.74 4.15 -10 1 24 8.82 4.5 -9 -1 24 83.74 10.85 9 -1 -24 58.3 10.2 -9 -1 24 74.37 10.42 -9 -1 24 55.02 8.25 -9 1 24 68.91 9.6 -9 1 24 68.54 10.03 9 1 -24 58.88 9.77 -9 1 24 79.21 10.29 -8 -1 24 -1.71 3.35 8 -1 -24 -9.45 3.86 -8 -1 24 8.91 4.21 -8 -1 24 6.76 4.22 -8 1 24 2.33 4.3 8 1 -24 12.26 6.64 -8 1 24 -5.29 3.35 -7 -1 24 1.28 3.17 -7 -1 24 -1.1 3.23 -7 1 24 2.52 3.94 -7 1 24 -1.22 2.98 6 -1 -24 39.56 10.34 -6 1 24 52.25 13.36 -6 1 24 21.95 6.53 6 1 -24 33.85 9.84 -5 -1 24 1.14 4.84 -5 -1 24 7.38 3.66 5 -1 -24 2.06 4.84 -5 -1 24 4.03 4.1 -5 1 24 8.18 4.77 5 1 -24 7 5.52 -5 1 24 7.52 3.98 -5 1 24 3.32 4.06 -4 -1 24 2.01 4.7 4 -1 -24 7.31 5.45 -4 -1 24 3.23 3.6 4 1 -24 14.43 6.76 -4 1 24 8.56 4.23 -4 1 24 19.76 5.89 -15 -2 24 7.07 5.74 -15 -2 24 17.28 5.47 -15 -2 24 25.19 6.74 15 -2 -24 13.28 6.29 -15 2 24 11.34 4.87 -15 2 24 14.74 5.63 -15 2 24 16.1 7.07 14 -2 -24 -5.96 4.53 -14 -2 24 -9.26 3.62 -14 2 24 -0.51 3.74 -14 2 24 5.47 4.51 -14 2 24 0.55 3.67 13 -2 -24 3.07 5.09 -13 -2 24 12.69 5.32 -13 -2 24 1.53 4.17 -13 2 24 15.11 4.65 -13 2 24 14.28 5.18 -13 2 24 10.3 4.96 -12 -2 24 17.41 5.23 12 -2 -24 32.1 7.57 -12 -2 24 28.6 7.03 -12 2 24 36.36 6.98 -12 2 24 35.87 7.78 -11 -2 24 10.32 5.13 -11 -2 24 19.27 5.25 11 -2 -24 15.03 5.76 -11 -2 24 16.64 5.83 -11 2 24 37.48 6.98 -11 2 24 16.07 5.22 -10 -2 24 1.29 3.59 -10 -2 24 6.46 4.47 10 -2 -24 -3.72 3.53 -10 -2 24 6.28 4.24 -10 2 24 6.36 4.44 10 2 -24 -1.44 4.24 -10 2 24 -2.15 3.61 9 -2 -24 29.46 7.94 -9 -2 24 41.98 11.66 -9 -2 24 35.89 6.59 -9 -2 24 34.75 7.05 -9 2 24 47.71 8.52 9 2 -24 41.16 8.78 -9 2 24 46.09 8.33 8 -2 -24 13.53 6.33 -8 -2 24 13.35 6.83 -8 -2 24 15.07 4.24 -8 2 24 5.74 4.22 -7 -2 24 5.48 4.12 -7 2 24 3.06 3.63 -7 2 24 7.34 4.48 7 2 -24 6 5.95 -7 2 24 -0.11 4.02 -6 -2 24 -2.62 2.71 6 -2 -24 -3.25 4.64 -6 -2 24 -5.67 4.13 6 2 -24 -5.2 3.68 -6 2 24 1 3.09 5 -2 -24 -11.87 3.58 -5 -2 24 -2.33 4.34 -5 -2 24 -7.99 2.77 -5 -2 24 -6.71 2.43 -5 2 24 4.97 4.1 -5 2 24 4.78 4.24 -5 2 24 12.2 4.85 5 2 -24 -4.8 4.18 -14 -3 24 17.89 6.29 -14 -3 24 7.99 5.18 -14 -3 24 8.89 5.45 14 -3 -24 10.34 5.01 -14 -3 24 9.99 5.1 -14 3 24 7.56 6.16 -14 3 24 5.19 4.46 -14 3 24 -0.28 4.37 -13 -3 24 19.05 6.53 -13 -3 24 18.39 8.72 13 -3 -24 8.28 5.51 -13 -3 24 17.88 5.81 -13 -3 24 8.59 5.08 -13 3 24 7.89 5.67 -13 3 24 2.8 4.06 -13 3 24 7.83 4.46 -12 -3 24 6.45 4.48 -12 -3 24 -4.25 3.06 12 -3 -24 -6.07 3.77 -12 -3 24 1.4 4.21 -12 -3 24 -2.54 3.99 -12 3 24 -0.44 3.73 -12 3 24 -0.1 3.43 -12 3 24 4.41 4.79 -11 -3 24 6.3 4.34 11 -3 -24 0.3 4.21 -11 -3 24 4.11 4.41 -11 -3 24 6.15 6.5 -11 3 24 8.79 4.58 -11 3 24 1.77 3.13 -11 3 24 3.4 3.71 -10 -3 24 1.26 3.35 -10 -3 24 -4.99 3.83 10 -3 -24 3.27 3.98 -10 3 24 5.73 3.5 -10 3 24 -2.25 3.47 -10 3 24 -2.37 3.44 -9 -3 24 1.66 4.51 -9 -3 24 10.07 4.44 -9 3 24 17.28 5.22 -9 3 24 10.88 5.63 -9 3 24 6.7 4.45 8 -3 -24 2.81 5.45 -8 -3 24 -2.27 3.25 -8 -3 24 -1.56 4.08 -8 3 24 -1.96 3.86 -8 3 24 -3.66 4.11 -8 3 24 -3 3.26 -7 -3 24 7.31 4.25 7 -3 -24 11.35 5.59 -7 -3 24 0.71 3.63 -7 3 24 0 3.68 -7 3 24 0.36 3.73 -7 3 24 6.26 5.45 -6 -3 24 17.02 5.6 -6 -3 24 2.84 3.46 6 -3 -24 8.15 5.27 -6 3 24 14.88 4.96 -6 3 24 11.76 7.53 -12 -4 24 27.54 9.1 -12 -4 24 28.99 6.56 -12 4 24 27.27 6.37 -12 4 24 38.37 8.27 -11 -4 24 81.52 10.67 -11 -4 24 78.67 11.89 -11 -4 24 60.62 9.28 -11 -4 24 71.24 10.54 -11 4 24 87.95 12.26 -11 4 24 69.22 9.66 -10 -4 24 2.47 3.53 -10 -4 24 3.34 3.76 -10 -4 24 -2 3.21 -10 4 24 5.67 3.9 -10 4 24 4.97 5.14 -10 4 24 9.37 4.29 -9 -4 24 8.39 4.92 -9 -4 24 6.38 3.77 -9 -4 24 -0.42 3.26 9 -4 -24 3.54 5.24 -9 -4 24 3.84 3.71 -9 4 24 4.35 3.69 -9 4 24 8.42 5.68 -9 4 24 0.46 3.8 8 -4 -24 3.94 4.92 -8 -4 24 8.73 4.63 -8 -4 24 5.36 3.35 -8 -4 24 9.88 6.28 -8 4 24 6.69 4.79 -8 4 24 1.66 4.22 -11 0 25 85.55 12.57 -10 0 25 -4.38 3.75 -10 0 25 3.96 4.46 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 C29 O1 C21 116.98(4) . . ? C30 O2 C26 117.88(4) . . ? C2 C1 H1 120.6(3) . . ? C6 C1 H1 120.2(3) . . ? C6 C1 C2 119.14(4) . . ? H2 C2 C1 120.7(3) . . ? C3 C2 C1 119.64(4) . . ? C3 C2 H2 119.6(3) . . ? H3 C3 C2 119.3(3) . . ? C4 C3 C2 121.84(4) . . ? C4 C3 H3 118.9(3) . . ? C5 C4 C3 118.53(4) . . ? C7 C4 C3 117.96(4) . . ? C7 C4 C5 123.44(4) . . ? C6 C5 C4 119.18(4) . . ? C10 C5 C4 123.09(4) . . ? C10 C5 C6 117.71(4) . . ? C5 C6 C1 121.62(4) . . ? H6 C6 C1 118.9(3) . . ? H6 C6 C5 119.5(3) . . ? C8 C7 C4 112.95(3) . . ? C16 C7 C4 108.46(3) . . ? C16 C7 C8 107.51(3) . . ? C18 C7 C4 107.87(3) . . ? C18 C7 C8 108.46(3) . . ? C18 C7 C16 111.64(3) . . ? C9 C8 C7 123.18(4) . . ? C11 C8 C7 117.71(4) . . ? C11 C8 C9 119.01(4) . . ? C10 C9 C8 123.30(4) . . ? C14 C9 C8 118.88(4) . . ? C14 C9 C10 117.83(4) . . ? C9 C10 C5 112.83(3) . . ? C15 C10 C5 107.50(3) . . ? C15 C10 C9 106.57(3) . . ? C17 C10 C5 108.44(3) . . ? C17 C10 C9 109.00(3) . . ? C17 C10 C15 112.56(3) . . ? H11 C11 C8 119.1(3) . . ? C12 C11 C8 121.54(4) . . ? C12 C11 H11 119.3(3) . . ? H12 C12 C11 119.6(3) . . ? C13 C12 C11 119.45(4) . . ? C13 C12 H12 121.0(3) . . ? H13 C13 C12 121.1(3) . . ? C14 C13 C12 119.55(4) . . ? C14 C13 H13 119.3(3) . . ? C13 C14 C9 121.53(4) . . ? H14 C14 C9 118.8(3) . . ? H14 C14 C13 119.7(3) . . ? F2 C15 F1 106.64(3) . . ? F3 C15 F1 106.66(4) . . ? F3 C15 F2 106.66(3) . . ? C10 C15 F1 112.97(3) . . ? C10 C15 F2 112.78(4) . . ? C10 C15 F3 110.72(3) . . ? F5 C16 F4 106.21(3) . . ? F6 C16 F4 106.96(3) . . ? F6 C16 F5 105.90(3) . . ? C7 C16 F4 111.04(3) . . ? C7 C16 F5 113.71(4) . . ? C7 C16 F6 112.54(3) . . ? C24 C17 C10 116.88(4) . . ? C28 C17 C10 125.43(4) . . ? C28 C17 C24 117.69(4) . . ? C19 C18 C7 124.54(4) . . ? C23 C18 C7 117.83(4) . . ? C23 C18 C19 117.51(4) . . ? H19 C19 C18 121.1(3) . . ? C20 C19 C18 120.91(4) . . ? C20 C19 H19 118.0(3) . . ? H20 C20 C19 120.1(3) . . ? C21 C20 C19 120.63(4) . . ? C21 C20 H20 119.3(3) . . ? C20 C21 O1 116.31(4) . . ? C22 C21 O1 124.37(4) . . ? C22 C21 C20 119.32(4) . . ? H22 C22 C21 121.9(3) . . ? C23 C22 C21 119.36(4) . . ? C23 C22 H22 118.7(3) . . ? C22 C23 C18 122.17(4) . . ? H23 C23 C18 119.7(3) . . ? H23 C23 C22 118.2(3) . . ? H24 C24 C17 119.6(3) . . ? C25 C24 C17 122.44(4) . . ? C25 C24 H24 117.9(3) . . ? H25 C25 C24 120.1(3) . . ? C26 C25 C24 118.93(4) . . ? C26 C25 H25 120.9(3) . . ? C25 C26 O2 124.50(4) . . ? C27 C26 O2 115.99(4) . . ? C27 C26 C25 119.51(4) . . ? H27 C27 C26 119.3(3) . . ? C28 C27 C26 120.79(4) . . ? C28 C27 H27 119.9(3) . . ? C27 C28 C17 120.63(4) . . ? H28 C28 C17 120.7(3) . . ? H28 C28 C27 118.6(3) . . ? H29a C29 O1 110.6(4) . . ? H29b C29 O1 106.6(3) . . ? H29b C29 H29a 110.5(5) . . ? H29c C29 O1 109.9(4) . . ? H29c C29 H29a 109.3(5) . . ? H29c C29 H29b 109.9(5) . . ? H30a C30 O2 103.9(3) . . ? H30b C30 O2 111.7(3) . . ? H30b C30 H30a 112.9(5) . . ? H30c C30 O2 111.1(3) . . ? H30c C30 H30a 109.6(5) . . ? H30c C30 H30b 107.8(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 F1 C15 1.3372(5) . ? F2 C15 1.3384(5) . ? F3 C15 1.3372(5) . ? F4 C16 1.3377(5) . ? F5 C16 1.3421(5) . ? F6 C16 1.3378(5) . ? O1 C21 1.3617(5) . ? O1 C29 1.4231(6) . ? O2 C26 1.3642(5) . ? O2 C30 1.4242(7) . ? C1 H1 1.077(5) . ? C1 C2 1.3940(7) . ? C1 C6 1.3857(6) . ? C2 H2 1.082(5) . ? C2 C3 1.3826(6) . ? C3 H3 1.085(5) . ? C3 C4 1.4062(6) . ? C4 C5 1.3949(6) . ? C4 C7 1.5337(6) . ? C5 C6 1.4073(6) . ? C5 C10 1.5298(6) . ? C6 H6 1.084(5) . ? C7 C8 1.5311(6) . ? C7 C16 1.5526(6) . ? C7 C18 1.5419(6) . ? C8 C9 1.3959(6) . ? C8 C11 1.4060(6) . ? C9 C10 1.5301(6) . ? C9 C14 1.4069(6) . ? C10 C15 1.5522(6) . ? C10 C17 1.5412(6) . ? C11 H11 1.084(5) . ? C11 C12 1.3833(6) . ? C12 H12 1.082(5) . ? C12 C13 1.3949(7) . ? C13 H13 1.076(5) . ? C13 C14 1.3830(6) . ? C14 H14 1.080(5) . ? C17 C24 1.3971(6) . ? C17 C28 1.3961(6) . ? C18 C19 1.3995(6) . ? C18 C23 1.3978(6) . ? C19 H19 1.084(5) . ? C19 C20 1.3923(6) . ? C20 H20 1.084(5) . ? C20 C21 1.3945(6) . ? C21 C22 1.3944(6) . ? C22 H22 1.084(5) . ? C22 C23 1.3936(6) . ? C23 H23 1.086(5) . ? C24 H24 1.082(5) . ? C24 C25 1.3945(6) . ? C25 H25 1.082(6) . ? C25 C26 1.3943(6) . ? C26 C27 1.3944(6) . ? C27 H27 1.089(5) . ? C27 C28 1.3934(6) . ? C28 H28 1.078(5) . ? C29 H29a 1.074(7) . ? C29 H29b 1.080(6) . ? C29 H29c 1.098(7) . ? C30 H30a 1.100(6) . ? C30 H30b 1.086(6) . ? C30 H30c 1.094(7) . ? 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 F1 C15 C10 C5 -179.05(4) . . . . ? F1 C15 C10 C9 59.74(4) . . . . ? F1 C15 C10 C17 -59.70(4) . . . . ? F2 C15 C10 C5 -58.02(4) . . . . ? F2 C15 C10 C9 -179.23(3) . . . . ? F2 C15 C10 C17 61.33(4) . . . . ? F3 C15 C10 C5 61.40(4) . . . . ? F3 C15 C10 C9 -59.81(4) . . . . ? F3 C15 C10 C17 -179.25(3) . . . . ? F4 C16 C7 C4 -71.22(4) . . . . ? F4 C16 C7 C8 51.22(4) . . . . ? F4 C16 C7 C18 170.06(3) . . . . ? F5 C16 C7 C4 48.50(4) . . . . ? F5 C16 C7 C8 170.94(3) . . . . ? F5 C16 C7 C18 -70.22(4) . . . . ? F6 C16 C7 C4 168.91(3) . . . . ? F6 C16 C7 C8 -68.65(4) . . . . ? F6 C16 C7 C18 50.19(4) . . . . ? O1 C21 C20 C19 -177.02(4) . . . . ? O1 C21 C22 C23 177.52(4) . . . . ? O2 C26 C25 C24 179.50(4) . . . . ? O2 C26 C27 C28 -179.27(4) . . . . ? C1 C2 C3 C4 2.13(6) . . . . ? C1 C6 C5 C4 1.69(6) . . . . ? C1 C6 C5 C10 -179.85(4) . . . . ? C2 C3 C4 C5 -1.20(5) . . . . ? C2 C3 C4 C7 -178.31(4) . . . . ? C3 C4 C5 C6 -0.70(5) . . . . ? C3 C4 C5 C10 -179.07(4) . . . . ? C3 C4 C7 C8 171.51(4) . . . . ? C3 C4 C7 C16 -69.42(4) . . . . ? C3 C4 C7 C18 51.65(4) . . . . ? C4 C5 C10 C9 10.49(5) . . . . ? C4 C5 C10 C15 -106.71(4) . . . . ? C4 C5 C10 C17 131.34(4) . . . . ? C4 C7 C8 C9 4.01(4) . . . . ? C4 C7 C8 C11 -172.19(4) . . . . ? C4 C7 C18 C19 -96.54(4) . . . . ? C4 C7 C18 C23 79.41(4) . . . . ? C5 C10 C9 C8 -11.96(4) . . . . ? C5 C10 C9 C14 167.76(4) . . . . ? C5 C10 C17 C24 -61.83(4) . . . . ? C5 C10 C17 C28 118.58(4) . . . . ? C7 C8 C9 C10 5.02(5) . . . . ? C7 C8 C9 C14 -174.70(4) . . . . ? C7 C8 C11 C12 176.74(4) . . . . ? C7 C18 C19 C20 174.02(4) . . . . ? C7 C18 C23 C22 -173.80(4) . . . . ? C8 C9 C10 C15 105.80(4) . . . . ? C8 C9 C10 C17 -132.48(4) . . . . ? C8 C9 C14 C13 -1.71(5) . . . . ? C8 C11 C12 C13 -2.00(5) . . . . ? C9 C10 C17 C24 61.35(4) . . . . ? C9 C10 C17 C28 -118.23(4) . . . . ? C9 C14 C13 C12 0.10(5) . . . . ? C10 C17 C24 C25 -178.57(4) . . . . ? C10 C17 C28 C27 178.77(4) . . . . ? C11 C12 C13 C14 1.75(5) . . . . ? C17 C24 C25 C26 -0.35(5) . . . . ? C17 C28 C27 C26 -0.11(5) . . . . ? C18 C19 C20 C21 -0.77(5) . . . . ? C18 C23 C22 C21 -0.19(5) . . . . ? C19 C20 C21 C22 3.06(5) . . . . ? C20 C21 C22 C23 -2.57(5) . . . . ? C24 C25 C26 C27 -0.59(5) . . . . ? C25 C26 C27 C28 0.82(5) . . . . ?