#------------------------------------------------------------------------------ #$Date: 2024-06-07 01:20:04 +0300 (Fri, 07 Jun 2024) $ #$Revision: 292239 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/17/1571795.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_1571795 loop_ _publ_author_name 'Li, Qian' 'Yu, Zhiqian' 'Liu, Qianhui' 'Guo, Yusong' 'Fu, Zhangyi' 'Yang, Yudong' 'Bin, Zhengyang' 'Wu, Di' 'Lan, Jingbo' _publ_section_title ; Crafting 1,4-diaryl spirobifluorene hosts in OLEDs via interannular C−H arylation: synergistic effects of molecular linearity and orthogonality ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC02178A _journal_year 2024 _chemical_formula_moiety 'C43 H28' _chemical_formula_sum 'C43 H28' _chemical_formula_weight 544.65 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2023-07-04 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408) ; _audit_update_record ; 2023-10-24 deposited with the CCDC. 2024-06-04 downloaded from the CCDC. ; _cell_angle_alpha 74.8680(10) _cell_angle_beta 84.9120(10) _cell_angle_gamma 78.065(2) _cell_formula_units_Z 2 _cell_length_a 10.0916(4) _cell_length_b 10.7661(4) _cell_length_c 13.9350(5) _cell_measurement_reflns_used 7966 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 27.489 _cell_measurement_theta_min 2.515 _cell_volume 1428.94(9) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2014/7 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 150.0 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0449 _diffrn_reflns_av_unetI/netI 0.0422 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 22766 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.517 _diffrn_reflns_theta_min 1.996 _diffrn_source_current 1.4 _diffrn_source_power 0.07 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.072 _exptl_absorpt_correction_T_max 0.7456 _exptl_absorpt_correction_T_min 0.7106 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1197 before and 0.0536 after correction. The Ratio of minimum to maximum transmission is 0.9531. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'clear light colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.266 _exptl_crystal_description block _exptl_crystal_F_000 572 _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.219 _refine_diff_density_min -0.236 _refine_diff_density_rms 0.046 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 388 _refine_ls_number_reflns 6535 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.026 _refine_ls_R_factor_all 0.0632 _refine_ls_R_factor_gt 0.0453 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+0.4519P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1029 _refine_ls_wR_factor_ref 0.1147 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5117 _reflns_number_total 6535 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc02178a2.cif _cod_data_source_block mo_ljb_lq_spiro_r_150k_0m_a _cod_database_code 1571795 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.993 _shelx_estimated_absorpt_t_min 0.972 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2.a Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C10(H10), C11(H11), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C28(H28), C29(H29), C30(H30), C31(H31), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41) ; _shelx_res_file ; mo_ljb_lq_spiro_r_150k_0m_a.res created by SHELXL-2014/7 TITL mo_ljb_lq_spiro_r_150k_0m_a.res in P-1 CELL 0.71073 10.0916 10.7661 13.935 74.868 84.912 78.065 ZERR 2 0.0004 0.0004 0.0005 0.001 0.001 0.002 LATT 1 SFAC C H UNIT 86 56 L.S. 4 PLAN 5 0 0 SIZE 0.1 0.2 0.4 TEMP -123.15 CONF HTAB fmap 2 acta MORE -1 BOND $H REM REM REM WGHT 0.046200 0.451900 FVAR 0.50748 C1 1 0.047781 1.306974 0.999158 11.00000 0.07390 0.03147 = 0.03871 -0.01541 0.02157 -0.00936 AFIX 43 H1 2 0.001212 1.381789 1.020554 11.00000 -1.20000 AFIX 0 C2 1 -0.021367 1.242092 0.952800 11.00000 0.04650 0.03398 = 0.04014 -0.00838 0.01556 -0.00443 AFIX 43 H2 2 -0.115888 1.271376 0.943438 11.00000 -1.20000 AFIX 0 C3 1 0.046893 1.134454 0.919968 11.00000 0.03590 0.03121 = 0.03179 -0.00910 0.00731 -0.00886 AFIX 43 H3 2 -0.001293 1.090372 0.888112 11.00000 -1.20000 AFIX 0 C4 1 0.185738 1.090019 0.933174 11.00000 0.03508 0.02747 = 0.02051 -0.00758 0.00570 -0.01061 C5 1 0.257584 0.971774 0.900350 11.00000 0.02553 0.02745 = 0.02346 -0.00826 0.00281 -0.00984 C6 1 0.339747 0.870686 0.966357 11.00000 0.03403 0.03517 = 0.02087 -0.00814 -0.00260 -0.01079 AFIX 43 H6 2 0.354903 0.882649 1.029388 11.00000 -1.20000 AFIX 0 C7 1 0.399719 0.753925 0.943134 11.00000 0.02953 0.03122 = 0.02332 -0.00295 -0.00550 -0.00528 AFIX 43 H7 2 0.457469 0.689290 0.989280 11.00000 -1.20000 AFIX 0 C8 1 0.376697 0.729444 0.852729 11.00000 0.02126 0.02573 = 0.02521 -0.00641 -0.00044 -0.00582 C9 1 0.437481 0.600438 0.830654 11.00000 0.02549 0.02339 = 0.02150 -0.00273 -0.00413 -0.00285 C10 1 0.575268 0.567483 0.809774 11.00000 0.02661 0.03385 = 0.05673 -0.01881 0.00199 -0.01109 AFIX 43 H10 2 0.631709 0.628067 0.809609 11.00000 -1.20000 AFIX 0 C11 1 0.632636 0.448309 0.789140 11.00000 0.02327 0.03543 = 0.05591 -0.01884 0.00637 -0.00775 AFIX 43 H11 2 0.727570 0.428750 0.775719 11.00000 -1.20000 AFIX 0 C12 1 0.553996 0.356320 0.787636 11.00000 0.02418 0.02491 = 0.02091 -0.00380 -0.00225 -0.00452 C13 1 0.614246 0.226786 0.766961 11.00000 0.02432 0.02659 = 0.02108 -0.00479 -0.00286 -0.00444 C14 1 0.539549 0.126681 0.785187 11.00000 0.02627 0.03209 = 0.03216 -0.01087 0.00367 -0.00826 AFIX 43 H14 2 0.449176 0.141826 0.811426 11.00000 -1.20000 AFIX 0 C15 1 0.593500 0.006280 0.766102 11.00000 0.03284 0.03045 = 0.03709 -0.01168 0.00132 -0.01067 AFIX 43 H15 2 0.540239 -0.059887 0.779381 11.00000 -1.20000 AFIX 0 C16 1 0.724149 -0.018153 0.727913 11.00000 0.03158 0.03058 = 0.04465 -0.01558 -0.00055 -0.00278 AFIX 43 H16 2 0.761124 -0.100567 0.714148 11.00000 -1.20000 AFIX 0 C17 1 0.253529 1.154312 0.982426 11.00000 0.04692 0.03900 = 0.02762 -0.01414 0.00373 -0.01588 AFIX 43 H17 2 0.347355 1.123627 0.994205 11.00000 -1.20000 AFIX 0 C18 1 0.184694 1.262892 1.014338 11.00000 0.07389 0.04519 = 0.03561 -0.02286 0.01178 -0.02497 AFIX 43 H18 2 0.231991 1.307065 1.046765 11.00000 -1.20000 AFIX 0 C19 1 0.359322 0.508194 0.831206 11.00000 0.02230 0.02584 = 0.03990 -0.00333 0.00203 -0.00360 AFIX 43 H19 2 0.264957 0.526505 0.847097 11.00000 -1.20000 AFIX 0 C20 1 0.416330 0.390092 0.809040 11.00000 0.02446 0.02404 = 0.04141 -0.00437 -0.00164 -0.00701 AFIX 43 H20 2 0.359408 0.330206 0.808454 11.00000 -1.20000 AFIX 0 C21 1 0.746519 0.199204 0.729288 11.00000 0.02592 0.03167 = 0.04795 -0.01299 0.00278 -0.00940 AFIX 43 H21 2 0.800841 0.264453 0.716598 11.00000 -1.20000 AFIX 0 C22 1 0.800711 0.078401 0.709876 11.00000 0.02423 0.03836 = 0.05997 -0.02066 0.00697 -0.00488 AFIX 43 H22 2 0.891163 0.062126 0.683987 11.00000 -1.20000 AFIX 0 C23 1 0.297359 0.830207 0.785540 11.00000 0.01988 0.02516 = 0.02166 -0.00642 0.00012 -0.00680 C24 1 0.257003 0.828819 0.683081 11.00000 0.02012 0.02032 = 0.02256 -0.00618 -0.00161 -0.00419 C25 1 0.367310 0.786729 0.610088 11.00000 0.02018 0.02154 = 0.02132 -0.00505 -0.00203 -0.00121 C26 1 0.333050 0.690973 0.570660 11.00000 0.02148 0.01905 = 0.02375 -0.00475 -0.00250 -0.00122 C27 1 0.207029 0.655335 0.620881 11.00000 0.02143 0.01976 = 0.02413 -0.00551 -0.00189 -0.00190 C28 1 0.136891 0.559367 0.615419 11.00000 0.02769 0.02285 = 0.03574 -0.01140 -0.00026 -0.00438 AFIX 43 H28 2 0.167561 0.504550 0.571285 11.00000 -1.20000 AFIX 0 C29 1 0.020738 0.544970 0.675850 11.00000 0.03008 0.02476 = 0.04678 -0.01096 0.00083 -0.01137 AFIX 43 H29 2 -0.027574 0.479017 0.673308 11.00000 -1.20000 AFIX 0 C30 1 -0.025436 0.625587 0.739724 11.00000 0.02551 0.03066 = 0.03701 -0.00739 0.00591 -0.00919 AFIX 43 H30 2 -0.105379 0.614814 0.779906 11.00000 -1.20000 AFIX 0 C31 1 0.044350 0.722150 0.745461 11.00000 0.02518 0.02475 = 0.02607 -0.00716 0.00189 -0.00432 AFIX 43 H31 2 0.012519 0.777990 0.788697 11.00000 -1.20000 AFIX 0 C32 1 0.160856 0.734847 0.686866 11.00000 0.02127 0.01898 = 0.02349 -0.00481 -0.00293 -0.00296 C33 1 0.412980 0.647638 0.495353 11.00000 0.02801 0.02482 = 0.02803 -0.00901 -0.00079 -0.00144 AFIX 43 H33 2 0.389066 0.584051 0.467422 11.00000 -1.20000 AFIX 0 C34 1 0.528682 0.699046 0.461581 11.00000 0.02859 0.03188 = 0.02815 -0.00810 0.00486 0.00031 AFIX 43 H34 2 0.584831 0.669792 0.410314 11.00000 -1.20000 AFIX 0 C35 1 0.563489 0.792619 0.501679 11.00000 0.02331 0.03377 = 0.03420 -0.00654 0.00479 -0.00714 AFIX 43 H35 2 0.643711 0.825865 0.478155 11.00000 -1.20000 AFIX 0 C36 1 0.482120 0.838245 0.575972 11.00000 0.02449 0.02727 = 0.03147 -0.00763 -0.00176 -0.00730 AFIX 43 H36 2 0.505043 0.903415 0.602647 11.00000 -1.20000 AFIX 0 C37 1 0.187398 0.970664 0.643496 11.00000 0.01788 0.01998 = 0.02546 -0.00664 -0.00019 -0.00545 C38 1 0.139956 1.027815 0.549030 11.00000 0.02123 0.02522 = 0.02557 -0.00882 -0.00175 -0.00630 AFIX 43 H38 2 0.145147 0.977292 0.501722 11.00000 -1.20000 AFIX 0 C39 1 0.084491 1.160863 0.524829 11.00000 0.02341 0.02553 = 0.02702 -0.00431 -0.00513 -0.00527 AFIX 43 H39 2 0.049439 1.201918 0.460779 11.00000 -1.20000 AFIX 0 C40 1 0.080169 1.234040 0.594113 11.00000 0.02405 0.02008 = 0.03274 -0.00564 -0.00087 -0.00428 AFIX 43 H40 2 0.043770 1.325350 0.576118 11.00000 -1.20000 AFIX 0 C41 1 0.127917 1.176608 0.689154 11.00000 0.02445 0.02300 = 0.02751 -0.01037 0.00072 -0.00654 AFIX 43 H41 2 0.125128 1.227971 0.735592 11.00000 -1.20000 AFIX 0 C42 1 0.180095 1.042034 0.715249 11.00000 0.01923 0.02341 = 0.02321 -0.00657 0.00023 -0.00675 C43 1 0.242636 0.952211 0.806464 11.00000 0.02011 0.02324 = 0.02248 -0.00666 0.00064 -0.00686 HKLF 4 REM mo_ljb_lq_spiro_r_150k_0m_a.res in P-1 REM R1 = 0.0453 for 5117 Fo > 4sig(Fo) and 0.0632 for all 6535 data REM 388 parameters refined using 0 restraints END WGHT 0.0462 0.4488 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 0.219, deepest hole -0.236, 1-sigma level 0.046 Q1 1 0.2202 0.8923 0.6608 11.00000 0.05 0.22 Q2 1 0.2068 0.5752 0.6450 11.00000 0.05 0.21 Q3 1 0.3194 0.8200 0.6476 11.00000 0.05 0.21 Q4 1 0.2096 0.7796 0.6892 11.00000 0.05 0.21 Q5 1 0.1839 1.0041 0.7690 11.00000 0.05 0.19 ; _shelx_res_checksum 75764 _shelx_hkl_file ; -1 0 0 167.18 5.70 -1 0 0 206.78 5.80 1 0 0 184.28 5.90 1 0 0 166.98 5.80 -2 0 0 26.90 1.30 -2 0 0 27.00 1.40 2 0 0 26.00 1.30 2 0 0 25.50 1.50 -3 0 0 0.70 0.60 -3 0 0 0.70 0.40 3 0 0 1.00 0.40 3 0 0 0.00 0.60 -4 0 0 10.80 1.10 -4 0 0 12.10 1.30 4 0 0 10.50 1.40 4 0 0 11.00 1.20 -5 0 0 620.94 19.70 -5 0 0 617.14 19.60 5 0 0 599.14 19.90 5 0 0 632.74 19.80 -6 0 0 34.10 2.30 -6 0 0 31.50 2.40 6 0 0 33.10 2.50 6 0 0 26.20 2.50 -7 0 0 10.80 1.80 7 0 0 6.80 1.80 7 0 0 11.00 1.80 -8 0 0 0.30 1.10 -8 0 0 0.40 0.70 8 0 0 0.80 0.90 8 0 0 0.50 1.20 -9 0 0 15.20 2.30 -9 0 0 11.70 1.80 9 0 0 15.00 3.40 9 0 0 18.70 3.10 -10 0 0 28.20 2.90 10 0 0 23.20 3.30 -11 0 0 9.00 2.10 -11 0 0 7.40 1.80 11 0 0 7.50 2.20 11 0 0 8.50 2.30 -12 0 0 -1.60 1.10 12 0 0 1.30 1.40 -12 1 0 7.20 1.80 -12 1 0 6.70 2.10 11 -1 0 -0.80 1.10 -11 1 0 -0.60 1.20 -11 1 0 -0.10 1.10 -11 1 0 -0.40 1.00 10 -1 0 4.50 1.60 -10 1 0 5.40 1.60 9 -1 0 117.39 6.40 -9 1 0 106.49 5.90 -9 1 0 112.59 5.70 8 -1 0 1.40 1.30 8 -1 0 1.20 0.90 -8 1 0 3.20 1.10 -8 1 0 2.10 1.20 7 -1 0 3.30 1.10 7 -1 0 1.40 1.30 -7 1 0 2.40 0.90 -7 1 0 1.70 1.10 6 -1 0 58.49 3.70 6 -1 0 52.69 3.40 -6 1 0 54.29 3.20 -6 1 0 52.69 3.10 5 -1 0 5.90 1.40 5 -1 0 3.80 1.00 -5 1 0 4.30 1.00 -5 1 0 3.70 0.90 -4 1 0 293.27 10.00 3 -1 0 183.58 6.50 3 -1 0 169.08 6.30 -3 1 0 187.68 6.30 -3 1 0 170.88 6.30 2 -1 0 0.50 0.50 2 -1 0 0.00 0.30 -2 1 0 0.30 0.50 -2 1 0 0.30 0.30 1 -1 0 278.77 8.60 1 -1 0 269.17 8.60 1 -1 0 278.97 8.60 -1 1 0 277.37 8.50 -1 1 0 274.67 8.60 -1 1 0 280.47 8.60 0 1 0 423.16 20.40 -1 -1 0 1655.13 52.59 1 1 0 1546.85 72.09 1 1 0 1593.34 52.39 -2 -1 0 5970.20 227.48 2 1 0 6194.88 228.78 3 1 0 792.42 24.10 -4 -1 0 75.69 3.20 4 1 0 79.49 3.40 4 1 0 79.39 3.60 -5 -1 0 230.88 8.70 -5 -1 0 257.97 8.60 5 1 0 244.28 9.00 5 1 0 247.38 8.80 -6 -1 0 23.90 2.10 -6 -1 0 20.90 1.70 6 1 0 21.00 2.10 6 1 0 22.80 1.90 -7 -1 0 19.80 2.10 -7 -1 0 19.40 1.80 7 1 0 20.30 2.30 7 1 0 20.10 2.00 -8 -1 0 4.50 1.60 -8 -1 0 7.70 1.50 8 1 0 4.60 1.30 8 1 0 4.90 1.60 -9 -1 0 0.20 0.80 -9 -1 0 0.80 1.10 9 1 0 0.10 0.70 9 1 0 2.00 1.30 -10 -1 0 -0.60 0.70 -10 -1 0 0.50 1.20 10 1 0 0.70 1.10 10 1 0 2.70 1.60 -11 -1 0 23.90 2.80 -11 -1 0 21.80 3.20 11 1 0 20.90 3.20 11 1 0 23.60 3.40 -12 -1 0 0.70 1.50 12 1 0 -2.00 1.10 12 -2 0 5.70 2.30 -12 2 0 7.20 1.90 -12 2 0 7.20 2.00 11 -2 0 2.10 1.50 -11 2 0 3.70 1.40 -11 2 0 1.60 1.40 10 -2 0 5.40 2.20 10 -2 0 4.50 1.70 -10 2 0 7.40 1.60 -10 2 0 5.90 1.70 -10 2 0 3.90 1.50 9 -2 0 0.50 1.10 -9 2 0 1.80 1.10 -9 2 0 1.40 1.20 -9 2 0 1.70 1.00 8 -2 0 1.50 1.30 8 -2 0 2.80 1.10 -8 2 0 2.80 1.10 -8 2 0 2.10 1.20 -8 2 0 3.00 1.20 7 -2 0 23.80 2.80 7 -2 0 25.20 2.50 -7 2 0 27.30 2.50 -7 2 0 28.10 2.50 -7 2 0 27.20 2.40 6 -2 0 8.60 1.70 -6 2 0 10.70 1.60 -6 2 0 9.00 1.60 -6 2 0 7.50 1.40 5 -2 0 1.60 0.80 -5 2 0 0.60 0.60 -5 2 0 0.80 0.70 -5 2 0 1.00 0.70 4 -2 0 3.70 1.00 4 -2 0 3.70 0.90 -4 2 0 4.40 0.90 -4 2 0 3.20 0.90 -4 2 0 2.20 0.70 3 -2 0 1.60 0.70 3 -2 0 1.90 0.60 -3 2 0 1.60 0.60 -3 2 0 1.80 0.70 -3 2 0 1.50 0.60 2 -2 0 27.40 1.70 2 -2 0 26.00 1.70 2 -2 0 27.30 1.70 -2 2 0 26.00 1.70 -2 2 0 29.50 1.60 -2 2 0 26.90 1.70 1 -2 0 48.60 2.00 1 -2 0 44.20 2.20 1 -2 0 42.50 2.00 -1 2 0 47.30 2.20 -1 2 0 46.40 2.00 -1 2 0 42.90 2.10 0 -2 0 607.84 45.80 0 -2 0 513.95 22.10 0 2 0 582.74 45.10 0 2 0 594.94 22.60 -1 -2 0 19.20 1.30 -1 -2 0 18.20 1.00 -1 -2 0 16.40 1.00 1 2 0 17.40 0.90 1 2 0 17.60 1.00 1 2 0 16.70 1.20 -2 -2 0 1618.94 59.29 2 2 0 1740.73 96.79 -3 -2 0 616.04 18.60 -3 -2 0 624.04 19.00 3 2 0 606.84 19.00 -4 -2 0 45.80 2.20 -4 -2 0 44.00 2.60 4 2 0 43.90 2.30 4 2 0 45.40 2.50 -5 -2 0 109.49 4.90 -5 -2 0 98.69 4.20 5 2 0 109.99 4.80 5 2 0 113.59 4.60 -6 -2 0 6.40 1.10 6 2 0 6.50 1.40 6 2 0 7.50 1.30 -7 -2 0 32.00 2.30 -7 -2 0 29.70 2.60 7 2 0 36.40 2.60 7 2 0 27.80 3.10 -8 -2 0 0.20 0.70 -8 -2 0 0.70 1.20 8 2 0 0.60 0.60 8 2 0 1.10 1.20 -9 -2 0 23.10 2.50 -9 -2 0 20.00 2.10 9 2 0 24.00 2.70 9 2 0 21.00 2.40 -10 -2 0 2.00 1.10 -10 -2 0 2.50 1.30 10 2 0 3.60 1.40 10 2 0 3.40 1.50 -11 -2 0 13.80 2.50 -11 -2 0 16.00 2.60 11 2 0 12.60 2.60 11 2 0 14.10 2.60 -12 -2 0 -1.30 1.30 -12 -2 0 -2.00 1.10 12 2 0 2.70 1.50 -13 -2 0 0.70 1.60 13 2 0 2.80 1.90 11 -3 0 2.30 1.80 -11 3 0 2.10 1.60 -11 3 0 0.20 1.20 10 -3 0 1.00 1.40 10 -3 0 1.40 1.90 -10 3 0 0.10 1.10 -10 3 0 2.70 1.20 -10 3 0 -1.20 1.10 9 -3 0 -2.50 0.80 -9 3 0 -0.50 1.00 -9 3 0 0.10 0.90 8 -3 0 7.30 2.00 8 -3 0 4.40 1.70 -8 3 0 7.90 1.60 -8 3 0 9.20 1.80 -8 3 0 7.00 1.60 7 -3 0 6.50 1.90 7 -3 0 5.10 1.50 -7 3 0 2.20 1.20 -7 3 0 3.60 1.20 -7 3 0 2.40 1.00 6 -3 0 75.29 4.40 -6 3 0 73.69 4.20 -6 3 0 71.39 4.10 -6 3 0 76.39 4.10 5 -3 0 45.10 3.00 5 -3 0 41.70 3.00 -5 3 0 43.20 2.90 -5 3 0 43.60 2.90 -5 3 0 38.80 2.70 4 -3 0 29.50 2.20 4 -3 0 29.40 2.30 -4 3 0 32.00 2.40 -4 3 0 29.80 2.10 -4 3 0 29.90 2.20 3 -3 0 41.30 2.40 3 -3 0 39.70 2.50 -3 3 0 43.40 2.60 -3 3 0 42.60 2.50 -3 3 0 37.90 2.30 2 -3 0 71.99 3.30 2 -3 0 69.19 3.20 2 -3 0 70.89 3.40 -2 3 0 69.59 3.30 -2 3 0 75.49 3.50 -2 3 0 71.99 3.10 1 -3 0 5.70 0.90 1 -3 0 6.40 0.90 1 -3 0 5.60 1.00 -1 3 0 6.60 0.80 -1 3 0 5.20 0.90 -1 3 0 4.80 0.90 0 -3 0 3.00 0.60 0 -3 0 1.60 0.50 0 -3 0 1.80 0.70 0 3 0 2.10 0.60 0 3 0 2.20 0.50 0 3 0 0.90 0.70 -1 -3 0 0.80 0.60 -1 -3 0 0.20 0.30 -1 -3 0 0.30 0.30 1 3 0 2.00 0.70 1 3 0 0.40 0.40 1 3 0 0.40 0.30 -2 -3 0 29.10 1.50 -2 -3 0 29.20 2.00 -2 -3 0 28.60 1.70 2 3 0 32.00 1.50 2 3 0 28.60 1.70 -3 -3 0 393.16 12.40 -3 -3 0 389.66 13.10 -3 -3 0 386.46 12.80 3 3 0 418.76 12.50 3 3 0 399.26 12.80 -4 -3 0 6.40 1.10 -4 -3 0 7.70 0.80 4 3 0 8.50 1.20 4 3 0 6.00 0.90 -5 -3 0 469.75 15.00 -5 -3 0 483.25 15.70 5 3 0 469.35 15.70 5 3 0 477.35 15.30 -6 -3 0 88.89 3.90 -6 -3 0 82.49 4.40 6 3 0 89.89 4.20 6 3 0 87.99 4.50 -7 -3 0 48.00 2.80 7 3 0 42.40 3.20 7 3 0 48.30 3.10 -8 -3 0 407.96 14.40 -8 -3 0 405.86 13.80 8 3 0 398.96 14.40 8 3 0 409.36 14.90 -9 -3 0 2.80 0.90 -9 -3 0 1.30 1.10 9 3 0 1.50 1.20 9 3 0 0.10 0.80 -10 -3 0 16.20 2.50 -10 -3 0 16.50 2.20 10 3 0 15.80 2.50 10 3 0 17.00 2.70 -11 -3 0 14.30 2.40 11 3 0 11.10 2.40 11 3 0 15.90 2.90 -12 -3 0 4.80 1.60 -12 -3 0 4.80 1.90 12 3 0 8.30 2.10 -13 -3 0 18.80 3.00 13 3 0 25.70 3.90 -11 4 0 40.20 4.50 -11 4 0 36.40 3.80 10 -4 0 39.60 4.10 -10 4 0 36.50 3.60 -10 4 0 32.40 3.50 9 -4 0 -1.70 1.40 9 -4 0 0.40 1.20 -9 4 0 0.00 1.10 -9 4 0 1.20 1.10 -9 4 0 0.50 1.00 8 -4 0 94.89 5.90 -8 4 0 103.99 5.60 -8 4 0 95.79 5.60 7 -4 0 0.20 1.30 7 -4 0 -0.90 0.70 -7 4 0 0.60 0.90 -7 4 0 0.00 0.90 -7 4 0 2.20 1.20 6 -4 0 2.20 1.10 6 -4 0 0.90 1.20 -6 4 0 0.90 1.00 -6 4 0 -0.80 0.70 -6 4 0 0.30 0.80 5 -4 0 4.20 1.20 5 -4 0 1.70 1.30 -5 4 0 5.00 1.30 -5 4 0 2.10 1.00 -5 4 0 4.20 1.30 4 -4 0 39.70 2.70 4 -4 0 38.00 2.70 -4 4 0 36.10 2.80 -4 4 0 39.10 2.60 -4 4 0 40.40 2.80 3 -4 0 1.60 0.80 3 -4 0 1.20 0.80 3 -4 0 1.60 0.70 -3 4 0 0.60 0.70 -3 4 0 2.30 0.80 -3 4 0 1.70 0.70 2 -4 0 195.98 7.60 2 -4 0 197.38 7.10 2 -4 0 199.48 7.40 -2 4 0 190.38 6.90 -2 4 0 191.88 7.40 -2 4 0 188.28 8.30 1 -4 0 132.09 5.60 1 -4 0 133.39 5.20 1 -4 0 136.89 5.10 -1 4 0 135.39 5.70 -1 4 0 133.19 5.00 -1 4 0 133.49 5.40 0 -4 0 101.69 4.20 0 -4 0 105.79 4.10 0 -4 0 104.99 4.70 0 4 0 109.69 4.10 0 4 0 105.89 4.30 0 4 0 118.49 4.90 -1 -4 0 90.69 4.30 -1 -4 0 92.29 3.60 -1 -4 0 97.59 3.90 1 4 0 93.99 3.70 1 4 0 98.49 3.90 1 4 0 100.19 4.50 -2 -4 0 44.30 2.40 -2 -4 0 45.80 2.10 -2 -4 0 46.40 2.80 2 4 0 48.10 2.20 2 4 0 46.90 2.40 2 4 0 51.49 2.90 -3 -4 0 82.79 3.30 -3 -4 0 81.59 3.60 -3 -4 0 81.39 4.10 3 4 0 84.09 3.40 3 4 0 87.39 3.70 -4 -4 0 338.67 11.20 -4 -4 0 348.87 12.20 -4 -4 0 367.86 11.80 4 4 0 346.17 11.80 4 4 0 339.47 11.40 -5 -4 0 165.68 6.00 -5 -4 0 165.08 6.90 -5 -4 0 167.98 6.70 5 4 0 169.88 6.70 5 4 0 163.78 6.30 -6 -4 0 16.00 1.90 -6 -4 0 12.10 1.30 6 4 0 17.00 1.60 6 4 0 14.70 1.80 -7 -4 0 23.90 1.90 -7 -4 0 18.30 2.50 7 4 0 20.50 2.00 7 4 0 20.80 2.20 -8 -4 0 19.00 1.90 8 4 0 19.60 2.20 8 4 0 19.30 2.30 -9 -4 0 307.97 11.40 9 4 0 331.57 12.50 9 4 0 325.67 12.80 -10 -4 0 45.40 3.60 -10 -4 0 40.60 2.90 10 4 0 40.20 3.60 10 4 0 42.70 3.80 -11 -4 0 5.40 1.70 11 4 0 7.50 2.10 11 4 0 4.20 1.50 -12 -4 0 1.10 1.30 -12 -4 0 2.20 1.10 12 4 0 2.40 1.40 10 -5 0 -0.20 1.40 -10 5 0 0.70 1.60 -10 5 0 -0.30 1.30 9 -5 0 56.59 4.90 9 -5 0 63.59 5.40 -9 5 0 58.19 4.50 -9 5 0 73.89 5.00 -9 5 0 67.39 4.80 8 -5 0 3.40 1.60 8 -5 0 3.50 2.20 -8 5 0 2.20 1.30 -8 5 0 1.60 1.20 -7 5 0 219.58 9.40 -7 5 0 232.38 9.90 6 -5 0 551.64 19.30 6 -5 0 544.45 18.90 -6 5 0 545.55 19.10 -6 5 0 552.04 18.60 -6 5 0 530.55 19.00 5 -5 0 7.10 1.70 5 -5 0 8.90 1.80 -5 5 0 12.00 2.10 -5 5 0 10.70 1.90 -5 5 0 12.00 1.80 4 -5 0 83.99 4.60 4 -5 0 91.59 5.20 -4 5 0 81.69 4.70 -4 5 0 89.39 4.30 -4 5 0 81.39 4.70 3 -5 0 53.29 3.50 3 -5 0 53.09 3.30 3 -5 0 50.99 3.10 -3 5 0 60.19 3.70 -3 5 0 52.49 3.00 -3 5 0 54.49 3.40 2 -5 0 40.50 2.60 2 -5 0 42.10 3.00 2 -5 0 44.90 2.70 -2 5 0 41.50 2.50 -2 5 0 44.80 2.90 -2 5 0 39.00 2.90 1 -5 0 187.58 6.90 1 -5 0 180.78 7.10 1 -5 0 188.98 7.80 -1 5 0 200.28 7.00 -1 5 0 187.98 7.40 -1 5 0 196.38 7.80 0 -5 0 164.48 6.60 0 -5 0 165.38 6.00 0 -5 0 160.58 6.80 0 5 0 161.78 6.00 0 5 0 159.68 6.30 0 5 0 168.18 6.90 -1 -5 0 2.00 0.60 -1 -5 0 2.00 0.70 -1 -5 0 3.30 1.00 1 5 0 2.90 0.70 1 5 0 2.80 0.90 1 5 0 2.00 0.70 -2 -5 0 16.80 1.40 -2 -5 0 19.00 1.90 -2 -5 0 17.00 1.30 2 5 0 17.20 1.30 2 5 0 16.20 1.80 2 5 0 18.10 1.50 -3 -5 0 46.40 2.30 -3 -5 0 42.90 3.00 -3 -5 0 46.60 2.60 3 5 0 44.40 2.40 3 5 0 47.20 2.70 -4 -5 0 95.59 4.90 -4 -5 0 95.09 4.30 -4 -5 0 93.79 3.90 4 5 0 90.19 4.30 4 5 0 96.19 4.00 -5 -5 0 2.30 0.60 -5 -5 0 2.20 1.00 -5 -5 0 3.30 1.20 5 5 0 1.90 0.70 5 5 0 2.40 0.90 -6 -5 0 0.30 0.90 -6 -5 0 0.20 0.90 -6 -5 0 1.50 0.70 6 5 0 -0.10 0.50 6 5 0 1.40 0.90 -7 -5 0 42.30 3.20 -7 -5 0 40.70 3.20 -7 -5 0 39.20 2.40 7 5 0 36.30 2.70 7 5 0 37.00 3.00 -8 -5 0 137.99 5.80 -8 -5 0 133.09 6.70 -8 -5 0 138.49 6.80 8 5 0 130.19 6.60 8 5 0 139.89 6.40 -9 -5 0 80.39 4.90 -9 -5 0 80.09 4.20 9 5 0 80.59 5.10 -10 -5 0 4.20 1.50 -10 -5 0 5.20 1.70 -10 -5 0 0.80 1.00 10 5 0 0.70 1.00 -11 -5 0 3.80 1.40 -11 -5 0 5.10 1.60 11 5 0 3.20 1.40 11 5 0 2.10 1.70 -12 -5 0 12.70 2.50 -12 -5 0 8.30 1.70 -12 -5 0 8.10 2.00 12 5 0 6.00 1.90 -10 6 0 -0.40 1.40 -10 6 0 -1.10 1.30 9 -6 0 8.10 2.40 -9 6 0 13.50 2.90 -9 6 0 11.10 2.30 8 -6 0 18.70 3.30 8 -6 0 14.60 2.70 -8 6 0 10.40 2.10 -8 6 0 16.10 2.70 -8 6 0 14.20 2.60 7 -6 0 24.00 2.90 -7 6 0 17.40 2.50 -7 6 0 24.50 2.90 6 -6 0 17.60 2.70 6 -6 0 16.20 2.50 -6 6 0 18.00 2.70 5 -6 0 343.77 13.00 5 -6 0 338.17 12.70 -5 6 0 349.27 13.30 -5 6 0 344.07 12.50 -5 6 0 329.67 13.20 4 -6 0 118.19 5.80 4 -6 0 123.09 6.00 -4 6 0 112.99 6.00 -4 6 0 126.29 6.40 -4 6 0 127.99 5.70 3 -6 0 94.89 4.90 3 -6 0 99.89 5.30 3 -6 0 89.79 5.10 -3 6 0 93.69 5.00 -3 6 0 92.09 4.50 -3 6 0 91.29 5.20 2 -6 0 11.60 1.70 2 -6 0 11.80 2.10 2 -6 0 13.00 1.80 -2 6 0 12.80 1.50 -2 6 0 12.90 1.90 -2 6 0 13.50 2.20 1 -6 0 23.90 2.00 1 -6 0 23.30 2.40 1 -6 0 25.50 2.00 -1 6 0 26.30 2.00 -1 6 0 25.50 2.50 -1 6 0 27.50 2.30 0 -6 0 39.00 2.40 0 -6 0 37.10 3.00 0 -6 0 44.20 2.60 0 6 0 39.60 2.40 0 6 0 40.70 3.20 0 6 0 40.60 2.70 -1 -6 0 16.80 1.40 -1 -6 0 19.30 1.70 -1 -6 0 17.60 2.10 1 6 0 16.20 2.20 1 6 0 16.40 1.60 1 6 0 20.10 1.60 -2 -6 0 94.09 5.10 -2 -6 0 97.59 4.30 -2 -6 0 90.69 4.00 2 6 0 97.79 5.10 2 6 0 99.99 4.20 2 6 0 99.99 4.50 -3 -6 0 51.79 2.60 -3 -6 0 52.59 2.90 -3 -6 0 43.60 3.30 3 6 0 45.70 2.60 3 6 0 54.09 3.00 -4 -6 0 5.00 1.10 -4 -6 0 3.50 0.80 -4 -6 0 4.30 1.40 4 6 0 5.10 1.10 4 6 0 3.10 0.80 -5 -6 0 1.00 1.00 -5 -6 0 1.40 0.70 -5 -6 0 3.00 1.30 5 6 0 2.40 1.00 5 6 0 3.10 0.90 -6 -6 0 0.20 1.50 -6 -6 0 0.30 1.00 -6 -6 0 1.30 0.70 6 6 0 1.70 0.80 6 6 0 0.40 0.70 -7 -6 0 43.20 3.60 -7 -6 0 51.49 3.60 7 6 0 43.80 3.00 7 6 0 42.80 3.30 -8 -6 0 4.40 1.60 -8 -6 0 3.50 1.00 -8 -6 0 4.40 1.50 8 6 0 7.80 1.80 8 6 0 7.00 1.50 -9 -6 0 4.90 1.20 -9 -6 0 6.90 1.80 9 6 0 4.50 1.40 9 6 0 2.50 1.50 -10 -6 0 30.90 3.10 -10 -6 0 26.60 3.10 -10 -6 0 26.40 2.30 10 6 0 27.60 3.70 10 6 0 26.70 2.90 -11 -6 0 3.70 1.70 -11 -6 0 4.80 1.80 11 6 0 4.70 1.70 -12 -6 0 2.10 1.10 -12 -6 0 -0.50 1.20 9 -7 0 1.70 1.80 -9 7 0 4.90 2.10 8 -7 0 3.50 1.70 -8 7 0 5.70 1.80 -8 7 0 2.40 1.40 7 -7 0 12.70 2.50 -7 7 0 12.00 2.30 -7 7 0 12.50 2.50 -7 7 0 13.70 2.60 6 -7 0 -0.60 0.90 -6 7 0 -0.40 1.10 -6 7 0 -0.10 0.80 5 -7 0 107.59 5.80 5 -7 0 104.39 5.60 -5 7 0 98.59 6.00 -5 7 0 91.49 5.80 4 -7 0 3.50 1.30 4 -7 0 5.30 1.50 -4 7 0 2.70 1.10 -4 7 0 3.70 1.40 -4 7 0 6.40 1.80 3 -7 0 94.99 5.60 3 -7 0 86.79 4.80 3 -7 0 89.89 4.80 -3 7 0 87.19 5.40 -3 7 0 92.89 5.20 -3 7 0 85.89 4.50 2 -7 0 13.80 2.30 2 -7 0 14.20 2.00 2 -7 0 14.80 2.40 -2 7 0 15.90 1.70 -2 7 0 17.20 2.40 -2 7 0 11.10 2.30 1 -7 0 13.90 1.70 1 -7 0 10.20 2.10 1 -7 0 11.80 1.70 -1 7 0 11.50 1.60 -1 7 0 13.00 2.30 -1 7 0 14.00 2.40 0 -7 0 46.80 4.20 0 -7 0 39.20 2.70 0 -7 0 40.90 2.60 0 7 0 43.50 3.00 0 7 0 37.10 3.30 0 7 0 42.70 2.70 -1 -7 0 45.20 2.80 -1 -7 0 42.80 2.60 1 7 0 42.30 2.60 1 7 0 47.90 3.70 1 7 0 41.70 2.90 -2 -7 0 1.50 0.80 -2 -7 0 3.80 0.90 2 7 0 2.90 0.90 2 7 0 3.10 1.00 2 7 0 1.90 1.10 -3 -7 0 114.99 6.30 -3 -7 0 113.69 4.80 -3 -7 0 119.89 5.20 3 7 0 112.59 5.00 3 7 0 120.39 5.40 -4 -7 0 10.50 2.10 -4 -7 0 11.20 1.30 -4 -7 0 12.40 1.80 4 7 0 12.10 1.40 4 7 0 14.50 2.20 -5 -7 0 19.00 2.10 -5 -7 0 29.50 2.90 -5 -7 0 17.30 1.60 5 7 0 20.70 1.80 5 7 0 20.70 2.10 -6 -7 0 35.50 2.40 -6 -7 0 39.00 3.00 -6 -7 0 31.60 3.20 6 7 0 36.70 3.00 6 7 0 36.00 2.70 -7 -7 0 4.00 1.50 -7 -7 0 5.50 1.20 -7 -7 0 4.60 1.60 7 7 0 3.90 1.10 7 7 0 3.80 1.40 -8 -7 0 0.10 1.00 -8 -7 0 -0.50 0.90 -8 -7 0 -0.80 0.60 8 7 0 -0.20 1.00 -9 -7 0 16.40 2.60 -9 -7 0 14.30 1.90 -9 -7 0 19.20 3.00 9 7 0 18.70 2.90 9 7 0 16.70 2.50 -10 -7 0 7.50 1.50 -10 -7 0 5.40 1.60 10 7 0 10.10 2.20 10 7 0 8.30 2.10 -11 -7 0 13.70 2.50 11 7 0 11.50 2.50 -12 -7 0 8.00 1.60 -12 -7 0 5.00 1.80 -12 -7 0 6.00 2.10 12 7 0 5.30 1.90 8 -8 0 2.60 1.50 -8 8 0 1.90 1.70 -8 8 0 4.30 1.80 7 -8 0 3.50 1.70 -7 8 0 1.70 1.40 -7 8 0 1.00 1.50 6 -8 0 1.40 1.60 6 -8 0 1.80 1.20 -6 8 0 1.10 1.10 -6 8 0 0.30 1.30 -6 8 0 5.00 1.60 5 -8 0 2.40 1.60 5 -8 0 6.60 1.80 -5 8 0 8.40 2.20 -5 8 0 6.80 1.70 4 -8 0 17.90 2.70 4 -8 0 16.40 2.50 -4 8 0 18.50 2.90 -4 8 0 19.60 3.20 -4 8 0 15.40 2.30 3 -8 0 46.00 3.40 3 -8 0 52.39 4.30 3 -8 0 49.70 3.60 -3 8 0 54.99 4.00 -3 8 0 47.90 3.30 -3 8 0 46.20 4.10 2 -8 0 24.00 2.50 2 -8 0 28.10 3.20 2 -8 0 24.10 2.40 -2 8 0 24.60 2.30 -2 8 0 28.10 3.10 -2 8 0 27.80 2.70 1 -8 0 1.20 1.30 1 -8 0 0.10 0.80 1 -8 0 2.60 1.00 -1 8 0 -0.20 0.80 -1 8 0 1.90 0.90 -1 8 0 1.50 1.30 0 -8 0 3.60 1.10 0 -8 0 2.70 1.40 0 8 0 3.60 1.10 0 8 0 4.00 1.40 0 8 0 6.00 1.90 -1 -8 0 24.40 2.20 -1 -8 0 26.10 2.10 -1 -8 0 26.50 3.00 1 8 0 22.30 2.80 1 8 0 20.10 2.20 1 8 0 26.90 2.20 -2 -8 0 49.20 3.20 -2 -8 0 51.89 4.10 -2 -8 0 46.90 2.80 2 8 0 44.80 3.90 2 8 0 50.59 3.40 2 8 0 47.80 3.00 -3 -8 0 0.70 1.10 -3 -8 0 -0.10 0.70 -3 -8 0 1.30 0.80 3 8 0 0.00 0.50 3 8 0 1.40 0.90 -4 -8 0 6.40 1.20 -4 -8 0 4.40 1.60 -4 -8 0 6.50 1.50 4 8 0 5.30 1.30 4 8 0 5.70 1.20 -5 -8 0 79.19 4.50 -5 -8 0 77.99 4.40 -5 -8 0 81.49 5.40 5 8 0 84.69 4.20 5 8 0 76.89 4.50 -6 -8 0 19.90 3.00 -6 -8 0 11.20 1.60 -6 -8 0 15.10 2.20 6 8 0 14.60 1.70 6 8 0 12.00 2.00 -7 -8 0 8.60 2.10 -7 -8 0 5.50 1.40 -7 -8 0 8.30 1.50 7 8 0 7.50 1.80 7 8 0 8.80 1.70 -8 -8 0 11.50 2.40 -8 -8 0 10.00 2.10 -8 -8 0 11.30 1.70 8 8 0 12.30 2.10 8 8 0 12.20 2.30 -9 -8 0 10.50 2.20 -9 -8 0 13.50 2.40 -9 -8 0 16.80 1.90 9 8 0 12.20 2.10 9 8 0 16.50 2.70 -10 -8 0 0.70 0.90 10 8 0 0.80 1.10 10 8 0 -1.20 2.50 -11 -8 0 8.70 2.50 -11 -8 0 5.80 1.70 -11 -8 0 5.00 1.90 11 8 0 5.10 2.10 7 -9 0 2.10 1.60 -7 9 0 4.30 2.10 6 -9 0 -0.40 1.40 6 -9 0 -0.70 1.10 -6 9 0 0.40 1.00 -6 9 0 1.30 1.40 5 -9 0 0.30 1.00 5 -9 0 1.80 1.90 -5 9 0 1.20 1.00 -5 9 0 3.00 1.40 -5 9 0 2.40 1.70 4 -9 0 11.20 2.10 -4 9 0 12.20 2.00 -4 9 0 7.40 2.10 -4 9 0 10.20 2.50 3 -9 0 7.20 1.80 3 -9 0 5.00 1.90 3 -9 0 6.60 1.70 -3 9 0 7.00 1.90 -3 9 0 5.90 2.00 -3 9 0 5.60 1.40 2 -9 0 52.59 4.50 2 -9 0 46.80 3.50 2 -9 0 52.79 3.60 -2 9 0 48.50 3.90 -2 9 0 47.50 3.90 -2 9 0 48.30 4.40 1 -9 0 15.20 2.20 1 -9 0 15.00 2.90 1 -9 0 21.20 2.20 -1 9 0 18.30 2.70 -1 9 0 16.00 2.10 -1 9 0 15.50 2.90 0 -9 0 3.60 1.20 0 -9 0 3.10 1.20 0 -9 0 0.80 1.30 0 9 0 2.70 1.50 0 9 0 2.40 1.20 0 9 0 4.80 1.30 -1 -9 0 0.40 1.10 -1 -9 0 -0.10 0.80 -1 -9 0 1.70 1.00 1 9 0 1.00 1.20 1 9 0 2.50 1.10 1 9 0 0.00 0.70 -2 -9 0 3.30 1.10 -2 -9 0 5.30 1.20 -2 -9 0 5.00 1.80 2 9 0 0.50 1.00 2 9 0 2.00 1.00 2 9 0 2.30 1.50 -3 -9 0 104.09 5.10 -3 -9 0 93.89 6.10 -3 -9 0 102.89 4.70 3 9 0 100.29 5.40 3 9 0 87.29 4.70 -4 -9 0 163.98 6.50 -4 -9 0 158.78 8.30 4 9 0 163.18 6.80 4 9 0 147.99 7.20 -5 -9 0 43.50 2.80 -5 -9 0 39.20 3.10 -5 -9 0 39.80 3.90 5 9 0 43.20 3.40 5 9 0 36.50 2.80 -6 -9 0 1.80 1.40 -6 -9 0 -0.10 0.70 -6 -9 0 1.20 1.00 6 9 0 -0.40 0.90 -7 -9 0 2.50 0.90 -7 -9 0 1.20 1.30 -7 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15.40 2.30 -1 11 0 13.00 3.20 0 -11 0 -0.40 0.90 0 -11 0 3.20 1.70 0 -11 0 0.80 1.10 0 11 0 1.20 1.30 0 11 0 2.10 1.60 0 11 0 1.90 1.20 -1 -11 0 3.10 1.90 -1 -11 0 1.30 1.10 -1 -11 0 4.60 1.40 1 11 0 1.60 1.10 1 11 0 1.10 1.60 1 11 0 1.20 1.60 -2 -11 0 0.80 1.00 -2 -11 0 -0.60 1.00 2 11 0 4.70 1.40 2 11 0 0.90 1.40 -3 -11 0 13.80 2.00 -3 -11 0 16.50 3.20 -3 -11 0 13.10 2.30 3 11 0 13.70 2.10 -4 -11 0 14.20 2.20 -4 -11 0 14.80 2.00 -4 -11 0 13.50 2.90 4 11 0 10.70 1.90 4 11 0 14.60 3.00 -5 -11 0 1.80 1.10 -5 -11 0 4.80 1.90 -5 -11 0 -1.60 1.00 5 11 0 1.80 1.10 5 11 0 3.10 1.60 -6 -11 0 9.00 2.60 -6 -11 0 8.90 1.60 -6 -11 0 10.00 2.00 6 11 0 11.40 2.50 6 11 0 7.40 1.70 -7 -11 0 8.10 1.60 -7 -11 0 8.70 1.90 7 11 0 6.20 1.70 -8 -11 0 7.40 1.90 -8 -11 0 8.50 1.70 8 11 0 8.90 1.90 -9 -11 0 2.10 1.80 3 -12 0 12.40 2.30 -3 12 0 8.80 2.00 -3 12 0 8.80 3.60 2 -12 0 18.20 2.70 2 -12 0 18.90 3.00 -2 12 0 15.80 2.70 -2 12 0 22.00 4.10 1 -12 0 6.20 1.90 1 -12 0 6.60 2.20 -1 12 0 8.80 2.60 -1 12 0 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132.79 5.40 -1 4 -3 132.19 5.10 1 -4 3 138.99 5.00 1 -4 3 135.99 6.20 1 -4 3 137.39 5.00 -2 4 -3 109.29 4.50 -2 4 -3 106.89 4.80 -2 4 -3 113.99 5.60 2 -4 3 106.79 4.40 -3 4 -3 0.60 0.70 -3 4 -3 0.20 0.60 -3 4 -3 1.20 1.00 3 -4 3 0.90 1.00 3 -4 3 0.60 0.60 -4 4 -3 22.80 2.50 -4 4 -3 26.90 2.30 -4 4 -3 24.10 2.20 4 -4 3 26.30 2.20 4 -4 3 26.70 2.60 -5 4 -3 22.30 2.60 -5 4 -3 26.50 2.50 -5 4 -3 29.80 2.50 5 -4 3 27.40 2.50 5 -4 3 24.70 2.60 -6 4 -3 3.80 1.30 -6 4 -3 6.90 1.80 -6 4 -3 5.80 1.50 6 -4 3 5.40 1.70 6 -4 3 6.00 1.50 -7 4 -3 90.99 5.20 -7 4 -3 88.49 5.60 7 -4 3 84.49 5.10 7 -4 3 85.99 5.30 -8 4 -3 62.69 4.80 -8 4 -3 56.29 4.20 8 -4 3 59.89 4.50 8 -4 3 55.09 4.40 -9 4 -3 -1.80 0.90 -9 4 -3 -1.60 1.00 -9 4 -3 0.00 1.10 9 -4 3 -2.40 1.30 9 -4 3 -0.80 1.00 -10 4 -3 14.30 2.70 -10 4 -3 12.80 2.60 10 -4 3 16.20 2.90 -11 4 -3 0.70 1.90 -11 4 -3 3.30 2.00 11 -4 3 3.20 2.90 12 3 -3 21.00 3.40 -12 -3 3 24.20 2.80 -12 -3 3 28.70 2.70 11 3 -3 47.20 4.40 11 3 -3 57.29 4.50 -11 -3 3 45.80 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11 2 -3 2.00 1.70 -11 -2 3 -0.20 1.00 -11 -2 3 -0.10 0.80 -11 -2 3 0.00 0.80 10 2 -3 2.10 1.40 10 2 -3 0.50 0.90 -10 -2 3 3.60 1.00 -10 -2 3 1.90 1.00 -10 -2 3 2.60 0.90 9 2 -3 7.30 1.90 9 2 -3 5.50 1.50 -9 -2 3 5.20 1.30 -9 -2 3 4.70 1.10 -9 -2 3 4.60 1.10 8 2 -3 156.28 6.90 8 2 -3 153.08 7.20 -8 -2 3 156.28 6.20 -8 -2 3 152.38 6.00 -8 -2 3 155.78 6.40 7 2 -3 7.30 1.70 7 2 -3 7.50 1.50 -7 -2 3 9.30 1.30 -7 -2 3 10.50 1.20 -7 -2 3 9.20 1.50 6 2 -3 213.68 8.70 6 2 -3 225.88 8.50 -6 -2 3 226.28 8.50 -6 -2 3 245.58 7.90 -6 -2 3 238.98 8.20 5 2 -3 0.50 0.50 5 2 -3 1.70 0.90 -5 -2 3 1.90 0.60 -5 -2 3 1.20 0.40 -5 -2 3 1.20 0.60 4 2 -3 111.99 4.50 4 2 -3 112.19 4.20 -4 -2 3 114.69 4.40 -4 -2 3 105.89 3.80 -4 -2 3 113.79 4.00 3 2 -3 106.49 4.00 3 2 -3 107.09 4.20 3 2 -3 108.79 3.80 -3 -2 3 104.09 4.20 -3 -2 3 105.99 3.40 -3 -2 3 105.99 3.40 2 2 -3 3.50 0.40 2 2 -3 3.70 0.70 2 2 -3 4.80 0.60 -2 -2 3 3.30 0.70 1 2 -3 239.88 7.50 1 2 -3 255.37 7.50 1 2 -3 254.67 8.50 -1 -2 3 243.28 8.50 0 2 -3 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1.90 2 -9 -3 10.80 2.00 2 -9 -3 7.60 1.90 -2 9 3 10.20 2.20 1 -9 -3 -0.50 1.00 1 -9 -3 1.60 1.00 1 -9 -3 1.10 1.00 -1 9 3 -0.50 0.70 -1 9 3 0.00 0.90 -1 9 3 -0.10 0.90 0 -9 -3 9.40 1.80 0 -9 -3 7.70 2.00 0 -9 -3 8.10 1.60 0 9 3 8.80 1.60 0 9 3 10.10 2.00 0 9 3 11.60 2.30 -1 -9 -3 268.17 10.40 -1 -9 -3 246.58 11.10 -1 -9 -3 265.87 9.80 1 9 3 252.27 10.60 1 9 3 252.77 9.80 -2 -9 -3 38.50 3.10 -2 -9 -3 42.60 3.90 -2 -9 -3 37.30 2.80 2 9 3 35.50 2.70 2 9 3 39.50 3.30 -3 -9 -3 223.18 8.60 -3 -9 -3 220.48 9.20 -3 -9 -3 220.48 10.20 3 9 3 229.78 9.50 3 9 3 219.28 8.70 -4 -9 -3 10.50 2.30 -4 -9 -3 8.50 1.80 -4 -9 -3 11.30 1.70 4 9 3 10.80 1.70 4 9 3 10.30 1.90 -5 -9 -3 149.88 7.80 -5 -9 -3 125.89 6.50 -5 -9 -3 128.99 5.90 5 9 3 130.39 6.10 5 9 3 129.69 6.60 -6 -9 -3 14.50 2.40 -6 -9 -3 14.20 2.70 -6 -9 -3 14.40 2.00 6 9 3 15.70 2.40 6 9 3 15.20 2.20 -7 -9 -3 4.90 1.70 -7 -9 -3 3.00 1.10 7 9 3 3.10 1.20 7 9 3 2.40 1.40 -8 -9 -3 49.80 4.20 -8 -9 -3 50.19 5.70 8 9 3 53.09 4.20 8 9 3 56.49 3.90 -9 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12.30 1.90 3 10 3 17.60 2.70 -4 -10 -3 5.60 1.40 -4 -10 -3 4.60 1.60 4 10 3 5.60 1.40 4 10 3 3.20 1.40 -5 -10 -3 141.49 7.10 -5 -10 -3 143.99 6.50 5 10 3 142.79 7.30 5 10 3 151.58 6.70 -6 -10 -3 24.40 4.10 -6 -10 -3 25.10 2.30 6 10 3 24.20 2.50 6 10 3 25.40 3.60 -7 -10 -3 1.10 1.50 -7 -10 -3 0.60 1.10 7 10 3 -0.60 1.00 7 10 3 0.20 0.90 -8 -10 -3 5.80 1.90 -8 -10 -3 7.80 2.40 -8 -10 -3 6.10 1.80 8 10 3 6.80 1.70 8 10 3 3.90 1.60 -9 -10 -3 0.40 1.30 -9 -10 -3 -1.50 1.00 9 10 3 -0.80 1.00 -10 -10 -3 10.60 2.50 -10 -10 -3 5.10 1.80 5 -11 -3 0.30 1.50 -5 11 3 0.50 1.60 -5 11 3 3.20 1.70 4 -11 -3 60.99 5.40 -4 11 3 62.89 5.50 -4 11 3 69.19 4.60 3 -11 -3 27.30 4.10 3 -11 -3 21.10 3.10 3 -11 -3 17.70 2.80 -3 11 3 18.70 2.80 -3 11 3 20.40 3.50 2 -11 -3 5.30 1.70 2 -11 -3 5.20 1.60 2 -11 -3 5.40 2.00 -2 11 3 5.90 1.70 -2 11 3 2.40 1.70 -2 11 3 3.40 1.90 1 -11 -3 9.90 2.10 -1 11 3 8.20 2.30 -1 11 3 10.40 2.00 -1 11 3 10.40 2.40 0 -11 -3 4.70 1.50 0 11 3 9.30 1.90 -1 -11 -3 6.30 2.30 -1 -11 -3 6.60 1.70 1 11 3 3.80 1.30 1 11 3 4.60 2.20 -2 -11 -3 0.90 1.00 -2 -11 -3 0.90 1.20 2 11 3 0.70 0.90 -3 -11 -3 79.29 4.80 -3 -11 -3 102.79 5.70 3 11 3 104.19 5.30 -4 -11 -3 26.80 3.10 4 11 3 30.00 3.40 4 11 3 29.00 2.70 -5 -11 -3 2.20 1.40 -5 -11 -3 2.00 1.60 5 11 3 2.40 1.10 5 11 3 2.10 1.50 -6 -11 -3 14.60 3.10 -6 -11 -3 14.70 2.50 6 11 3 12.60 2.50 6 11 3 12.20 2.10 -7 -11 -3 6.20 1.90 -7 -11 -3 9.50 3.00 -7 -11 -3 7.80 2.10 7 11 3 6.30 1.70 -8 -11 -3 17.40 3.00 -8 -11 -3 15.50 2.20 8 11 3 16.00 2.60 -9 -11 -3 1.00 1.20 -9 -11 -3 -0.70 1.60 -10 -11 -3 -1.60 1.90 10 11 3 -0.30 1.50 -4 12 3 17.00 3.50 -4 12 3 11.70 2.40 3 -12 -3 -1.20 1.20 -3 12 3 0.90 1.70 2 -12 -3 47.30 4.20 -2 12 3 38.90 4.50 -2 12 3 46.90 3.90 1 -12 -3 14.80 2.40 1 -12 -3 15.40 2.70 1 -12 -3 12.00 3.80 -1 12 3 12.90 2.30 0 -12 -3 -0.30 1.00 0 -12 -3 1.80 1.80 0 -12 -3 -1.00 1.40 0 12 3 0.30 0.90 -1 -12 -3 5.30 1.60 -1 -12 -3 5.50 1.60 -1 -12 -3 3.40 1.90 1 12 3 4.60 1.50 -2 -12 -3 8.60 1.80 -2 -12 -3 3.40 1.50 -2 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4.30 1.50 -4 4 -4 2.70 1.00 4 -4 4 4.30 1.30 4 -4 4 3.40 1.00 -5 4 -4 18.90 2.20 -5 4 -4 21.90 2.30 -5 4 -4 16.60 2.70 5 -4 4 20.60 2.10 5 -4 4 19.70 2.40 -6 4 -4 5.80 1.50 -6 4 -4 6.70 1.60 -6 4 -4 5.30 1.80 6 -4 4 10.90 2.00 6 -4 4 6.90 1.50 -7 4 -4 59.09 4.70 -7 4 -4 57.39 4.20 -7 4 -4 72.99 4.60 7 -4 4 63.89 4.30 7 -4 4 62.29 4.40 -8 4 -4 10.70 2.60 -8 4 -4 12.80 2.40 8 -4 4 14.90 2.50 8 -4 4 15.20 3.10 -9 4 -4 47.30 4.10 -9 4 -4 38.60 3.90 -9 4 -4 60.19 5.00 9 -4 4 51.79 4.40 9 -4 4 48.80 4.10 -10 4 -4 8.20 2.40 -10 4 -4 9.20 2.30 10 -4 4 9.50 2.40 -11 4 -4 1.10 1.60 -11 4 -4 1.80 1.90 12 3 -4 11.70 2.60 -12 -3 4 5.80 1.40 -12 -3 4 5.00 1.40 -12 -3 4 7.00 1.50 11 3 -4 16.80 2.90 11 3 -4 16.80 2.80 -11 -3 4 9.70 1.70 -11 -3 4 12.00 1.70 -11 -3 4 15.00 1.80 10 3 -4 -0.40 1.20 10 3 -4 1.40 1.20 -10 -3 4 3.20 0.90 -10 -3 4 1.00 0.90 -10 -3 4 1.30 0.90 9 3 -4 20.40 2.80 9 3 -4 18.90 2.60 -9 -3 4 21.50 2.00 -9 -3 4 21.60 1.70 -9 -3 4 20.30 1.90 8 3 -4 5.90 1.30 8 3 -4 6.90 1.80 -8 -3 4 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107.49 6.20 2 -5 5 117.59 4.60 2 -5 5 116.49 4.40 -3 5 -5 1.10 1.20 -3 5 -5 1.50 0.90 -3 5 -5 0.50 0.80 3 -5 5 0.00 0.80 -4 5 -5 4.90 1.40 -4 5 -5 4.80 1.40 -4 5 -5 4.70 1.70 4 -5 5 6.80 1.30 4 -5 5 6.00 1.40 -5 5 -5 0.70 1.20 -5 5 -5 -0.30 1.00 -5 5 -5 -0.60 0.90 5 -5 5 1.20 0.90 5 -5 5 -1.20 1.00 -6 5 -5 99.99 5.70 -6 5 -5 92.09 6.40 6 -5 5 100.49 5.40 6 -5 5 102.59 5.30 -7 5 -5 6.40 1.80 -7 5 -5 8.00 2.30 -7 5 -5 10.00 2.50 7 -5 5 8.10 1.90 7 -5 5 10.40 2.00 -8 5 -5 62.79 4.90 -8 5 -5 70.69 4.80 -8 5 -5 60.49 5.40 8 -5 5 52.39 4.30 -9 5 -5 10.80 2.90 -9 5 -5 11.60 2.50 9 -5 5 11.30 2.30 9 -5 5 13.70 2.50 -10 5 -5 2.10 2.00 -10 5 -5 6.00 2.10 10 -5 5 1.00 1.80 11 4 -5 10.10 2.20 11 4 -5 10.80 3.10 -11 -4 5 17.30 1.70 -11 -4 5 13.50 1.80 -11 -4 5 13.50 1.50 10 4 -5 22.60 2.60 10 4 -5 21.10 3.60 -10 -4 5 22.00 1.60 -10 -4 5 22.30 2.20 -10 -4 5 23.30 1.80 9 4 -5 4.50 1.60 9 4 -5 3.00 1.10 -9 -4 5 5.00 1.30 -9 -4 5 4.70 1.00 -9 -4 5 3.90 0.80 8 4 -5 15.00 2.10 8 4 -5 20.00 2.20 -8 -4 5 13.50 1.90 -8 -4 5 13.00 1.10 -8 -4 5 12.40 1.00 7 4 -5 66.69 3.60 -7 -4 5 69.39 3.80 -7 -4 5 64.39 2.40 6 4 -5 0.50 0.60 6 4 -5 1.30 0.90 -6 -4 5 2.10 0.90 5 4 -5 3.00 0.70 5 4 -5 4.40 1.00 -5 -4 5 1.10 0.90 4 4 -5 28.10 1.90 4 4 -5 24.60 1.50 4 4 -5 28.80 2.40 -4 -4 5 27.90 2.40 3 4 -5 19.20 1.40 3 4 -5 19.10 2.10 3 4 -5 14.70 1.10 -3 -4 5 13.10 1.90 2 4 -5 6.60 1.40 2 4 -5 8.10 0.80 2 4 -5 8.70 0.90 -2 -4 5 9.40 1.70 1 4 -5 293.67 9.30 1 4 -5 290.67 11.00 1 4 -5 292.97 9.40 -1 -4 5 285.77 11.00 0 4 -5 12.10 1.10 0 4 -5 11.90 1.90 0 4 -5 11.70 1.10 0 -4 5 10.80 1.90 -1 4 -5 23.70 2.50 -1 4 -5 22.40 1.70 -1 4 -5 21.80 1.60 1 -4 5 21.80 0.90 1 -4 5 22.60 0.90 -2 4 -5 22.60 1.90 -2 4 -5 26.00 2.70 -2 4 -5 21.90 1.80 2 -4 5 24.80 1.60 2 -4 5 27.40 1.50 -3 4 -5 732.33 23.20 -3 4 -5 732.73 23.60 -3 4 -5 758.22 25.00 3 -4 5 720.23 22.80 3 -4 5 723.23 22.70 -4 4 -5 44.30 3.10 -4 4 -5 41.70 3.00 -4 4 -5 43.10 3.80 4 -4 5 41.00 2.80 4 -4 5 39.30 2.60 -5 4 -5 0.90 1.20 -5 4 -5 1.00 0.80 -5 4 -5 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8 8 6 8.20 1.80 -9 -8 -6 0.70 0.90 -9 -8 -6 1.70 1.40 9 8 6 2.10 1.40 9 8 6 3.00 1.40 -10 -8 -6 5.30 2.20 10 8 6 3.70 1.60 -11 -8 -6 1.10 2.00 11 8 6 3.40 1.70 7 -9 -6 1.40 1.70 -7 9 6 0.90 1.20 6 -9 -6 -1.60 1.20 -6 9 6 2.60 1.30 -6 9 6 1.60 1.60 5 -9 -6 0.90 1.20 5 -9 -6 1.80 1.30 5 -9 -6 3.20 1.40 -5 9 6 0.80 1.20 -5 9 6 1.40 1.20 4 -9 -6 29.10 3.10 4 -9 -6 35.30 3.30 -4 9 6 28.50 2.80 3 -9 -6 6.00 1.80 3 -9 -6 3.30 1.40 -3 9 6 2.00 1.40 -3 9 6 3.40 1.20 2 -9 -6 5.50 1.70 2 -9 -6 7.30 1.90 -2 9 6 6.50 1.70 -2 9 6 6.10 1.70 1 -9 -6 69.39 4.80 1 -9 -6 59.49 4.70 -1 9 6 69.69 4.60 -1 9 6 63.29 3.80 0 -9 -6 15.70 2.50 0 -9 -6 18.10 2.50 0 -9 -6 21.50 3.00 0 9 6 19.90 2.00 0 9 6 17.10 2.60 -1 -9 -6 27.20 2.50 -1 -9 -6 28.50 2.80 -1 -9 -6 31.90 3.30 1 9 6 31.40 2.50 1 9 6 35.40 3.20 -2 -9 -6 378.26 14.00 -2 -9 -6 346.57 14.40 -2 -9 -6 381.16 13.30 2 9 6 359.96 13.00 2 9 6 380.86 14.10 -3 -9 -6 50.19 3.30 -3 -9 -6 48.70 4.20 -3 -9 -6 45.90 3.60 3 9 6 47.90 3.70 3 9 6 44.50 3.10 -4 -9 -6 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-0.90 1.60 -3 9 -7 0.00 1.20 -4 9 -7 26.00 2.90 -4 9 -7 18.10 4.00 4 -9 7 19.80 1.70 4 -9 7 21.90 2.30 -5 9 -7 10.40 3.20 -5 9 -7 9.00 2.10 5 -9 7 8.70 1.70 9 8 -7 19.20 2.90 9 8 -7 11.40 2.10 8 8 -7 21.40 2.80 8 8 -7 11.10 1.90 7 8 -7 8.70 1.80 6 8 -7 10.40 1.60 6 8 -7 6.90 1.60 -6 -8 7 2.60 1.60 5 8 -7 64.09 3.50 5 8 -7 64.89 5.00 5 8 -7 62.39 3.90 4 8 -7 7.70 1.30 4 8 -7 5.50 1.40 4 8 -7 4.70 2.10 3 8 -7 3.00 1.70 3 8 -7 7.70 1.30 3 8 -7 6.20 1.40 2 8 -7 24.80 3.70 2 8 -7 32.90 2.40 2 8 -7 29.70 2.60 1 8 -7 34.20 2.50 1 8 -7 33.50 3.90 1 8 -7 32.90 2.80 0 8 -7 24.60 3.80 0 8 -7 24.20 2.10 0 8 -7 21.40 2.40 -1 8 -7 7.70 1.80 -1 8 -7 7.20 1.50 -1 8 -7 6.30 2.10 -2 8 -7 28.50 3.00 -2 8 -7 24.30 3.90 -2 8 -7 25.60 2.80 -3 8 -7 16.90 2.70 -3 8 -7 13.50 2.10 -3 8 -7 15.40 3.20 -4 8 -7 10.40 2.80 -4 8 -7 9.80 2.10 -4 8 -7 12.60 2.40 4 -8 7 13.90 1.50 -5 8 -7 6.60 2.50 -5 8 -7 9.70 2.30 5 -8 7 11.00 1.80 5 -8 7 10.70 1.50 -6 8 -7 1.90 1.40 -6 8 -7 0.90 2.00 6 -8 7 2.60 1.60 6 -8 7 2.00 1.20 9 7 -7 17.20 2.40 -9 -7 7 17.00 2.60 8 7 -7 -1.30 0.70 8 7 -7 1.80 1.30 7 7 -7 0.00 0.90 7 7 -7 -0.40 0.70 -7 -7 7 -1.30 1.00 6 7 -7 2.20 1.10 6 7 -7 0.50 0.70 -6 -7 7 -0.20 1.10 5 7 -7 60.79 3.20 5 7 -7 54.19 4.30 -5 -7 7 60.29 4.60 4 7 -7 77.79 4.00 4 7 -7 77.69 3.70 4 7 -7 79.19 5.40 -4 -7 7 73.89 5.30 3 7 -7 31.50 3.50 3 7 -7 37.40 2.60 3 7 -7 34.20 2.30 -3 -7 7 33.10 3.60 2 7 -7 2.00 0.80 2 7 -7 1.90 0.90 2 7 -7 2.20 1.40 -2 -7 7 3.20 1.60 1 7 -7 120.99 5.00 1 7 -7 114.79 5.40 1 7 -7 117.09 7.70 -1 -7 7 119.49 7.10 0 7 -7 0.40 1.30 0 7 -7 -0.10 0.90 0 7 -7 1.50 0.80 -1 7 -7 10.10 1.60 -1 7 -7 12.80 2.70 -1 7 -7 11.70 1.90 -2 7 -7 16.20 2.40 -2 7 -7 14.00 2.00 -2 7 -7 14.90 2.90 -3 7 -7 4.20 1.30 -3 7 -7 3.90 1.70 -3 7 -7 8.20 1.90 3 -7 7 3.90 0.60 -4 7 -7 1.50 1.10 -4 7 -7 0.50 1.00 -4 7 -7 2.00 1.60 4 -7 7 1.40 0.80 -5 7 -7 3.10 1.90 -5 7 -7 5.80 2.10 -5 7 -7 6.50 1.70 5 -7 7 4.20 1.10 5 -7 7 6.70 1.40 -6 7 -7 2.90 2.00 -6 7 -7 1.00 1.30 -6 7 -7 1.20 1.40 6 -7 7 1.30 1.30 6 -7 7 1.40 1.10 -7 7 -7 5.30 2.00 7 -7 7 1.30 1.40 7 -7 7 5.30 1.70 10 6 -7 4.30 1.50 10 6 -7 2.60 1.70 -10 -6 7 0.50 1.30 9 6 -7 8.00 2.00 9 6 -7 7.00 1.70 -9 -6 7 5.00 1.60 8 6 -7 5.80 1.40 8 6 -7 10.10 1.90 -8 -6 7 8.40 1.90 7 6 -7 1.30 0.80 7 6 -7 1.70 1.00 -7 -6 7 2.10 1.20 6 6 -7 25.20 2.00 -6 -6 7 23.40 2.80 5 6 -7 5.20 1.60 5 6 -7 5.50 1.00 5 6 -7 3.80 1.00 -5 -6 7 4.20 1.40 4 6 -7 4.60 1.60 4 6 -7 1.50 0.80 4 6 -7 4.50 0.90 -4 -6 7 3.70 1.40 3 6 -7 20.20 1.60 3 6 -7 22.80 1.80 3 6 -7 17.80 2.70 -3 -6 7 22.20 2.70 2 6 -7 9.60 2.10 2 6 -7 9.60 1.10 2 6 -7 8.00 1.30 -2 -6 7 8.70 2.00 1 6 -7 132.29 7.00 1 6 -7 126.59 5.00 1 6 -7 118.69 5.20 0 6 -7 6.20 1.10 0 6 -7 5.10 1.20 0 6 -7 6.90 1.90 -1 6 -7 45.00 4.10 -1 6 -7 48.70 3.10 -1 6 -7 50.09 2.90 -2 6 -7 16.70 2.50 -2 6 -7 21.80 2.10 -3 6 -7 1.60 1.00 -3 6 -7 0.00 0.80 -3 6 -7 -1.30 0.90 3 -6 7 0.70 0.40 -4 6 -7 42.80 3.60 -4 6 -7 43.20 3.40 -4 6 -7 53.79 4.80 4 -6 7 49.80 2.70 4 -6 7 55.19 3.50 -5 6 -7 32.40 3.10 -5 6 -7 26.70 4.10 -5 6 -7 29.30 3.00 5 -6 7 32.00 2.30 5 -6 7 31.20 2.50 -6 6 -7 0.20 1.30 -6 6 -7 -1.00 1.10 -6 6 -7 0.50 1.40 6 -6 7 -1.00 0.90 6 -6 7 -0.60 1.00 -7 6 -7 4.80 2.40 -7 6 -7 3.10 1.80 7 -6 7 2.40 1.30 7 -6 7 4.30 1.60 -8 6 -7 7.90 2.10 -8 6 -7 15.50 3.60 8 -6 7 9.80 3.40 8 -6 7 13.30 2.70 10 5 -7 4.70 2.00 10 5 -7 2.40 1.20 -10 -5 7 3.30 1.20 9 5 -7 3.00 1.20 9 5 -7 -0.70 1.10 -9 -5 7 0.40 0.90 8 5 -7 20.20 2.60 8 5 -7 17.30 2.00 -8 -5 7 19.40 2.20 7 5 -7 9.70 1.50 7 5 -7 10.10 1.70 -7 -5 7 7.10 1.60 6 5 -7 38.90 2.70 6 5 -7 36.10 2.40 -6 -5 7 36.30 3.00 5 5 -7 2.40 1.20 5 5 -7 3.70 1.00 5 5 -7 3.20 0.80 -5 -5 7 3.70 1.30 4 5 -7 9.30 2.00 4 5 -7 8.60 1.00 4 5 -7 6.10 1.10 -4 -5 7 5.30 1.50 3 5 -7 68.39 3.00 3 5 -7 73.49 4.60 3 5 -7 72.09 3.30 2 5 -7 31.90 1.80 2 5 -7 33.40 3.10 2 5 -7 34.40 2.00 -2 -5 7 32.10 3.00 1 5 -7 0.50 1.00 1 5 -7 -0.50 0.40 1 5 -7 0.20 0.40 0 5 -7 -0.60 0.40 0 5 -7 -0.30 0.40 0 5 -7 0.30 1.00 -1 5 -7 56.19 3.20 -1 5 -7 53.89 4.20 -1 5 -7 53.89 2.90 -2 5 -7 43.70 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-17 18.20 2.80 1 -1 -17 15.60 1.40 0 -1 -17 0.40 1.30 0 -1 -17 -0.40 0.60 0 -1 -17 1.20 0.70 -1 -1 -17 2.20 1.00 -1 -1 -17 1.80 0.80 -1 -1 -17 4.90 2.00 -2 -1 -17 2.30 1.60 -2 -1 -17 0.20 1.00 -2 -1 -17 0.80 0.80 -3 -1 -17 -0.10 0.80 -3 -1 -17 1.90 1.20 -4 -1 -17 36.30 2.80 3 -2 -17 0.10 0.80 3 -2 -17 0.10 0.90 3 -2 -17 -0.10 0.90 2 -2 -17 3.70 1.10 2 -2 -17 6.40 1.50 2 -2 -17 2.80 0.90 1 -2 -17 1.80 1.30 1 -2 -17 4.20 1.00 1 -2 -17 2.60 0.80 0 -2 -17 15.70 1.80 0 -2 -17 10.90 2.50 0 -2 -17 12.40 1.50 -1 -2 -17 1.20 1.00 -2 -2 -17 28.00 2.60 -2 -2 -17 25.40 2.10 -3 -2 -17 3.80 1.10 -3 -2 -17 4.30 1.40 -4 -2 -17 12.60 1.80 -4 -2 -17 10.60 3.00 -5 -2 -17 2.60 1.60 -5 -2 -17 7.00 2.10 3 -3 -17 0.20 0.90 3 -3 -17 1.90 1.20 3 -3 -17 0.20 0.90 2 -3 -17 1.90 1.20 2 -3 -17 3.80 1.10 2 -3 -17 1.70 0.90 1 -3 -17 4.10 1.10 1 -3 -17 4.80 1.20 1 -3 -17 3.30 1.40 0 -3 -17 20.40 1.80 0 -3 -17 14.90 2.00 -1 -3 -17 -0.90 0.80 -1 -3 -17 1.10 0.80 -2 -3 -17 3.10 1.30 -2 -3 -17 4.20 1.10 -3 -3 -17 -0.90 0.90 -3 -3 -17 0.50 0.90 -4 -3 -17 26.20 2.40 -4 -3 -17 19.40 2.60 -5 -3 -17 2.00 1.60 3 -4 -17 13.20 1.90 3 -4 -17 15.60 2.40 3 -4 -17 13.40 2.30 3 -4 -17 15.20 1.70 2 -4 -17 0.70 0.90 2 -4 -17 -1.60 0.90 2 -4 -17 2.40 1.10 1 -4 -17 0.90 0.90 1 -4 -17 2.00 0.90 0 -4 -17 2.90 1.00 0 -4 -17 0.70 1.00 -1 -4 -17 24.40 2.40 -1 -4 -17 20.10 2.10 -2 -4 -17 2.60 1.10 -2 -4 -17 4.30 1.50 -3 -4 -17 -0.60 1.10 -3 -4 -17 0.20 0.90 -4 -4 -17 35.50 2.80 -4 -4 -17 34.40 3.40 -5 -4 -17 -0.50 1.10 -5 -4 -17 -1.10 1.30 2 -5 -17 30.10 2.60 2 -5 -17 31.50 2.90 1 -5 -17 24.50 2.30 0 -5 -17 28.30 2.50 -1 -5 -17 15.60 2.00 -2 -5 -17 -1.20 0.80 -2 -5 -17 -0.30 1.00 -3 -5 -17 0.20 1.20 -3 -5 -17 0.20 0.90 -4 -5 -17 8.00 2.30 -4 -5 -17 8.40 1.90 -5 -5 -17 2.00 1.30 -5 -5 -17 3.30 1.70 2 -6 -17 12.90 2.30 1 -6 -17 19.60 2.50 1 -6 -17 24.20 2.80 0 -6 -17 7.70 1.50 0 -6 -17 4.10 1.50 -1 -6 -17 0.70 1.10 -1 -6 -17 1.70 1.20 -2 -6 -17 9.60 2.10 -2 -6 -17 7.00 1.80 -3 -6 -17 35.70 3.50 -3 -6 -17 30.00 2.80 -4 -6 -17 8.00 1.70 -4 -6 -17 10.80 2.10 -5 -6 -17 3.80 1.80 1 -7 -17 5.50 1.50 1 -7 -17 7.40 1.90 1 -7 -17 1.80 1.40 0 -7 -17 3.40 1.50 0 -7 -17 0.40 1.20 -1 -7 -17 -3.40 1.20 -1 -7 -17 -0.10 1.10 -2 -7 -17 10.60 2.00 -2 -7 -17 17.30 2.60 -3 -7 -17 1.10 1.40 -3 -7 -17 4.40 1.40 -4 -7 -17 12.80 2.60 -2 -8 -17 -2.00 1.20 0 -3 -18 -0.30 1.30 0 -3 -18 0.40 1.00 0 -3 -18 3.60 1.00 -1 -3 -18 12.00 1.90 -1 -3 -18 12.20 1.70 -2 -3 -18 1.20 1.10 -2 -3 -18 -0.40 0.90 0 -4 -18 11.50 1.80 0 -4 -18 19.10 2.30 -1 -4 -18 27.50 2.40 -1 -4 -18 24.20 3.30 -2 -4 -18 1.60 1.30 -2 -4 -18 -1.50 0.70 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 83529 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.0478(2) 1.30697(17) 0.99916(13) 0.0483(5) Uani 1 1 d . . . . . H1 H 0.0012 1.3818 1.0206 0.058 Uiso 1 1 calc R U . . . C2 C -0.02137(19) 1.24209(16) 0.95280(12) 0.0419(4) Uani 1 1 d . . . . . H2 H -0.1159 1.2714 0.9434 0.050 Uiso 1 1 calc R U . . . C3 C 0.04689(16) 1.13445(15) 0.91997(11) 0.0329(3) Uani 1 1 d . . . . . H3 H -0.0013 1.0904 0.8881 0.039 Uiso 1 1 calc R U . . . C4 C 0.18574(15) 1.09002(14) 0.93317(10) 0.0271(3) Uani 1 1 d . . . . . C5 C 0.25758(14) 0.97177(13) 0.90035(10) 0.0246(3) Uani 1 1 d . . . . . C6 C 0.33975(15) 0.87069(14) 0.96636(10) 0.0291(3) Uani 1 1 d . . . . . H6 H 0.3549 0.8826 1.0294 0.035 Uiso 1 1 calc R U . . . C7 C 0.39972(15) 0.75392(14) 0.94313(10) 0.0285(3) Uani 1 1 d . . . . . H7 H 0.4575 0.6893 0.9893 0.034 Uiso 1 1 calc R U . . . C8 C 0.37670(14) 0.72944(13) 0.85273(10) 0.0239(3) Uani 1 1 d . . . . . C9 C 0.43748(14) 0.60044(13) 0.83065(10) 0.0241(3) Uani 1 1 d . . . . . C10 C 0.57527(16) 0.56748(16) 0.80977(13) 0.0371(4) Uani 1 1 d . . . . . H10 H 0.6317 0.6281 0.8096 0.044 Uiso 1 1 calc R U . . . C11 C 0.63264(16) 0.44831(16) 0.78914(13) 0.0370(4) Uani 1 1 d . . . . . H11 H 0.7276 0.4288 0.7757 0.044 Uiso 1 1 calc R U . . . C12 C 0.55400(14) 0.35632(13) 0.78764(10) 0.0236(3) Uani 1 1 d . . . . . C13 C 0.61425(14) 0.22679(13) 0.76696(10) 0.0241(3) Uani 1 1 d . . . . . C14 C 0.53955(15) 0.12668(14) 0.78519(11) 0.0295(3) Uani 1 1 d . . . . . H14 H 0.4492 0.1418 0.8114 0.035 Uiso 1 1 calc R U . . . C15 C 0.59350(16) 0.00628(15) 0.76610(11) 0.0323(3) Uani 1 1 d . . . . . H15 H 0.5402 -0.0599 0.7794 0.039 Uiso 1 1 calc R U . . . C16 C 0.72415(16) -0.01815(15) 0.72791(12) 0.0349(4) Uani 1 1 d . . . . . H16 H 0.7611 -0.1006 0.7141 0.042 Uiso 1 1 calc R U . . . C17 C 0.25353(18) 1.15431(16) 0.98243(11) 0.0359(4) Uani 1 1 d . . . . . H17 H 0.3474 1.1236 0.9942 0.043 Uiso 1 1 calc R U . . . C18 C 0.1847(2) 1.26289(18) 1.01434(13) 0.0480(5) Uani 1 1 d . . . . . H18 H 0.2320 1.3071 1.0468 0.058 Uiso 1 1 calc R U . . . C19 C 0.35932(15) 0.50819(14) 0.83121(11) 0.0306(3) Uani 1 1 d . . . . . H19 H 0.2650 0.5265 0.8471 0.037 Uiso 1 1 calc R U . . . C20 C 0.41633(15) 0.39009(14) 0.80904(11) 0.0303(3) Uani 1 1 d . . . . . H20 H 0.3594 0.3302 0.8085 0.036 Uiso 1 1 calc R U . . . C21 C 0.74652(15) 0.19920(15) 0.72929(12) 0.0343(3) Uani 1 1 d . . . . . H21 H 0.8008 0.2645 0.7166 0.041 Uiso 1 1 calc R U . . . C22 C 0.80071(16) 0.07840(16) 0.70988(14) 0.0400(4) Uani 1 1 d . . . . . H22 H 0.8912 0.0621 0.6840 0.048 Uiso 1 1 calc R U . . . C23 C 0.29736(13) 0.83021(13) 0.78554(10) 0.0218(3) Uani 1 1 d . . . . . C24 C 0.25700(13) 0.82882(12) 0.68308(9) 0.0207(3) Uani 1 1 d . . . . . C25 C 0.36731(13) 0.78673(13) 0.61009(9) 0.0214(3) Uani 1 1 d . . . . . C26 C 0.33305(13) 0.69097(12) 0.57066(10) 0.0218(3) Uani 1 1 d . . . . . C27 C 0.20703(13) 0.65533(12) 0.62088(10) 0.0220(3) Uani 1 1 d . . . . . C28 C 0.13689(15) 0.55937(14) 0.61542(11) 0.0281(3) Uani 1 1 d . . . . . H28 H 0.1676 0.5046 0.5713 0.034 Uiso 1 1 calc R U . . . C29 C 0.02074(15) 0.54497(14) 0.67585(12) 0.0327(3) Uani 1 1 d . . . . . H29 H -0.0276 0.4790 0.6733 0.039 Uiso 1 1 calc R U . . . C30 C -0.02544(15) 0.62559(14) 0.73972(11) 0.0311(3) Uani 1 1 d . . . . . H30 H -0.1054 0.6148 0.7799 0.037 Uiso 1 1 calc R U . . . C31 C 0.04435(14) 0.72215(13) 0.74546(10) 0.0254(3) Uani 1 1 d . . . . . H31 H 0.0125 0.7780 0.7887 0.031 Uiso 1 1 calc R U . . . C32 C 0.16086(13) 0.73485(12) 0.68687(10) 0.0213(3) Uani 1 1 d . . . . . C33 C 0.41298(14) 0.64764(14) 0.49535(10) 0.0270(3) Uani 1 1 d . . . . . H33 H 0.3891 0.5841 0.4674 0.032 Uiso 1 1 calc R U . . . C34 C 0.52868(15) 0.69905(14) 0.46158(11) 0.0307(3) Uani 1 1 d . . . . . H34 H 0.5848 0.6698 0.4103 0.037 Uiso 1 1 calc R U . . . C35 C 0.56349(15) 0.79262(15) 0.50168(11) 0.0309(3) Uani 1 1 d . . . . . H35 H 0.6437 0.8259 0.4782 0.037 Uiso 1 1 calc R U . . . C36 C 0.48212(14) 0.83824(14) 0.57597(11) 0.0273(3) Uani 1 1 d . . . . . H36 H 0.5050 0.9034 0.6026 0.033 Uiso 1 1 calc R U . . . C37 C 0.18740(13) 0.97066(12) 0.64350(10) 0.0207(3) Uani 1 1 d . . . . . C38 C 0.13996(13) 1.02781(13) 0.54903(10) 0.0232(3) Uani 1 1 d . . . . . H38 H 0.1451 0.9773 0.5017 0.028 Uiso 1 1 calc R U . . . C39 C 0.08449(14) 1.16086(13) 0.52483(10) 0.0254(3) Uani 1 1 d . . . . . H39 H 0.0494 1.2019 0.4608 0.030 Uiso 1 1 calc R U . . . C40 C 0.08017(14) 1.23404(13) 0.59411(10) 0.0258(3) Uani 1 1 d . . . . . H40 H 0.0438 1.3254 0.5761 0.031 Uiso 1 1 calc R U . . . C41 C 0.12792(14) 1.17661(13) 0.68915(10) 0.0240(3) Uani 1 1 d . . . . . H41 H 0.1251 1.2280 0.7356 0.029 Uiso 1 1 calc R U . . . C42 C 0.18009(13) 1.04203(13) 0.71525(10) 0.0215(3) Uani 1 1 d . . . . . C43 C 0.24264(13) 0.95221(13) 0.80646(10) 0.0214(3) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0739(14) 0.0315(9) 0.0387(9) -0.0154(7) 0.0216(9) -0.0094(9) C2 0.0465(10) 0.0340(9) 0.0401(9) -0.0084(7) 0.0156(8) -0.0044(7) C3 0.0359(8) 0.0312(8) 0.0318(8) -0.0091(6) 0.0073(6) -0.0089(6) C4 0.0351(8) 0.0275(7) 0.0205(6) -0.0076(5) 0.0057(6) -0.0106(6) C5 0.0255(7) 0.0274(7) 0.0235(7) -0.0083(5) 0.0028(5) -0.0098(6) C6 0.0340(8) 0.0352(8) 0.0209(6) -0.0081(6) -0.0026(6) -0.0108(6) C7 0.0295(8) 0.0312(7) 0.0233(7) -0.0030(6) -0.0055(6) -0.0053(6) C8 0.0213(7) 0.0257(7) 0.0252(7) -0.0064(5) -0.0004(5) -0.0058(5) C9 0.0255(7) 0.0234(7) 0.0215(6) -0.0027(5) -0.0041(5) -0.0029(5) C10 0.0266(8) 0.0338(8) 0.0567(10) -0.0188(7) 0.0020(7) -0.0111(6) C11 0.0233(7) 0.0354(8) 0.0559(10) -0.0188(7) 0.0064(7) -0.0077(6) C12 0.0242(7) 0.0249(7) 0.0209(6) -0.0038(5) -0.0023(5) -0.0045(5) C13 0.0243(7) 0.0266(7) 0.0211(6) -0.0048(5) -0.0029(5) -0.0044(5) C14 0.0263(7) 0.0321(8) 0.0322(7) -0.0109(6) 0.0037(6) -0.0083(6) C15 0.0328(8) 0.0305(8) 0.0371(8) -0.0117(6) 0.0013(6) -0.0107(6) C16 0.0316(8) 0.0306(8) 0.0447(9) -0.0156(7) -0.0006(7) -0.0028(6) C17 0.0469(10) 0.0390(9) 0.0276(7) -0.0141(6) 0.0037(7) -0.0159(7) C18 0.0739(14) 0.0452(10) 0.0356(9) -0.0229(8) 0.0118(9) -0.0250(10) C19 0.0223(7) 0.0258(7) 0.0399(8) -0.0033(6) 0.0020(6) -0.0036(6) C20 0.0245(7) 0.0240(7) 0.0414(8) -0.0044(6) -0.0016(6) -0.0070(6) C21 0.0259(8) 0.0317(8) 0.0479(9) -0.0130(7) 0.0028(7) -0.0094(6) C22 0.0242(8) 0.0384(9) 0.0600(11) -0.0207(8) 0.0070(7) -0.0049(7) C23 0.0199(6) 0.0252(7) 0.0217(6) -0.0064(5) 0.0001(5) -0.0068(5) C24 0.0201(6) 0.0203(6) 0.0226(6) -0.0062(5) -0.0016(5) -0.0042(5) C25 0.0202(6) 0.0215(6) 0.0213(6) -0.0051(5) -0.0020(5) -0.0012(5) C26 0.0215(6) 0.0190(6) 0.0238(6) -0.0048(5) -0.0025(5) -0.0012(5) C27 0.0214(7) 0.0198(6) 0.0241(6) -0.0055(5) -0.0019(5) -0.0019(5) C28 0.0277(7) 0.0228(7) 0.0357(8) -0.0114(6) -0.0003(6) -0.0044(6) C29 0.0301(8) 0.0248(7) 0.0468(9) -0.0110(6) 0.0008(7) -0.0114(6) C30 0.0255(7) 0.0307(8) 0.0370(8) -0.0074(6) 0.0059(6) -0.0092(6) C31 0.0252(7) 0.0247(7) 0.0261(7) -0.0072(5) 0.0019(5) -0.0043(5) C32 0.0213(6) 0.0190(6) 0.0235(6) -0.0048(5) -0.0029(5) -0.0030(5) C33 0.0280(7) 0.0248(7) 0.0280(7) -0.0090(6) -0.0008(6) -0.0014(6) C34 0.0286(8) 0.0319(8) 0.0282(7) -0.0081(6) 0.0049(6) 0.0003(6) C35 0.0233(7) 0.0338(8) 0.0342(8) -0.0065(6) 0.0048(6) -0.0071(6) C36 0.0245(7) 0.0273(7) 0.0315(7) -0.0076(6) -0.0018(6) -0.0073(6) C37 0.0179(6) 0.0200(6) 0.0255(6) -0.0066(5) -0.0002(5) -0.0055(5) C38 0.0212(7) 0.0252(7) 0.0256(7) -0.0088(5) -0.0018(5) -0.0063(5) C39 0.0234(7) 0.0255(7) 0.0270(7) -0.0043(5) -0.0051(5) -0.0053(5) C40 0.0240(7) 0.0201(6) 0.0327(7) -0.0056(5) -0.0009(6) -0.0043(5) C41 0.0245(7) 0.0230(7) 0.0275(7) -0.0104(5) 0.0007(5) -0.0065(5) C42 0.0192(6) 0.0234(6) 0.0232(6) -0.0066(5) 0.0002(5) -0.0068(5) C43 0.0201(6) 0.0232(6) 0.0225(6) -0.0067(5) 0.0006(5) -0.0069(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C2 C1 H1 120.1 . . ? C18 C1 H1 120.1 . . ? C18 C1 C2 119.90(15) . . ? C1 C2 H2 119.9 . . ? C1 C2 C3 120.11(17) . . ? C3 C2 H2 119.9 . . ? C2 C3 H3 119.6 . . ? C2 C3 C4 120.72(16) . . ? C4 C3 H3 119.6 . . ? C3 C4 C5 120.36(13) . . ? C17 C4 C3 118.55(14) . . ? C17 C4 C5 120.99(14) . . ? C6 C5 C4 119.75(12) . . ? C6 C5 C43 116.91(12) . . ? C43 C5 C4 123.27(13) . . ? C5 C6 H6 118.8 . . ? C7 C6 C5 122.36(13) . . ? C7 C6 H6 118.8 . . ? C6 C7 H7 119.5 . . ? C6 C7 C8 121.09(13) . . ? C8 C7 H7 119.5 . . ? C7 C8 C9 120.41(12) . . ? C23 C8 C7 117.08(12) . . ? C23 C8 C9 122.51(12) . . ? C10 C9 C8 121.10(13) . . ? C10 C9 C19 117.15(13) . . ? C19 C9 C8 121.75(13) . . ? C9 C10 H10 119.2 . . ? C11 C10 C9 121.59(14) . . ? C11 C10 H10 119.2 . . ? C10 C11 H11 119.3 . . ? C10 C11 C12 121.46(14) . . ? C12 C11 H11 119.3 . . ? C11 C12 C13 122.21(13) . . ? C20 C12 C11 116.47(13) . . ? C20 C12 C13 121.31(12) . . ? C14 C13 C12 121.03(12) . . ? C21 C13 C12 122.16(13) . . ? C21 C13 C14 116.80(13) . . ? C13 C14 H14 119.1 . . ? C15 C14 C13 121.83(14) . . ? C15 C14 H14 119.1 . . ? C14 C15 H15 119.9 . . ? C16 C15 C14 120.26(14) . . ? C16 C15 H15 119.9 . . ? C15 C16 H16 120.4 . . ? C15 C16 C22 119.23(14) . . ? C22 C16 H16 120.4 . . ? C4 C17 H17 119.8 . . ? C18 C17 C4 120.39(17) . . ? C18 C17 H17 119.8 . . ? C1 C18 C17 120.30(17) . . ? C1 C18 H18 119.8 . . ? C17 C18 H18 119.8 . . ? C9 C19 H19 119.4 . . ? C20 C19 C9 121.21(13) . . ? C20 C19 H19 119.4 . . ? C12 C20 H20 118.9 . . ? C19 C20 C12 122.10(13) . . ? C19 C20 H20 118.9 . . ? C13 C21 H21 119.3 . . ? C22 C21 C13 121.41(14) . . ? C22 C21 H21 119.3 . . ? C16 C22 C21 120.46(14) . . ? C16 C22 H22 119.8 . . ? C21 C22 H22 119.8 . . ? C8 C23 C24 127.54(12) . . ? C8 C23 C43 121.99(12) . . ? C43 C23 C24 110.48(11) . . ? C23 C24 C32 113.29(11) . . ? C25 C24 C23 118.61(11) . . ? C25 C24 C32 101.47(10) . . ? C25 C24 C37 110.95(10) . . ? C37 C24 C23 101.60(10) . . ? C37 C24 C32 111.20(10) . . ? C26 C25 C24 110.69(11) . . ? C36 C25 C24 128.23(12) . . ? C36 C25 C26 120.84(12) . . ? C25 C26 C27 108.61(11) . . ? C33 C26 C25 120.42(13) . . ? C33 C26 C27 130.96(13) . . ? C28 C27 C26 131.63(12) . . ? C28 C27 C32 119.89(12) . . ? C32 C27 C26 108.43(11) . . ? C27 C28 H28 120.6 . . ? C27 C28 C29 118.75(13) . . ? C29 C28 H28 120.6 . . ? C28 C29 H29 119.5 . . ? C30 C29 C28 120.93(13) . . ? C30 C29 H29 119.5 . . ? C29 C30 H30 119.7 . . ? C29 C30 C31 120.60(13) . . ? C31 C30 H30 119.7 . . ? C30 C31 H31 120.8 . . ? C32 C31 C30 118.46(13) . . ? C32 C31 H31 120.8 . . ? C27 C32 C24 110.54(11) . . ? C31 C32 C24 128.11(12) . . ? C31 C32 C27 121.34(12) . . ? C26 C33 H33 120.7 . . ? C26 C33 C34 118.61(13) . . ? C34 C33 H33 120.7 . . ? C33 C34 H34 119.6 . . ? C33 C34 C35 120.89(13) . . ? C35 C34 H34 119.6 . . ? C34 C35 H35 119.7 . . ? C34 C35 C36 120.68(13) . . ? C36 C35 H35 119.7 . . ? C25 C36 C35 118.54(13) . . ? C25 C36 H36 120.7 . . ? C35 C36 H36 120.7 . . ? C38 C37 C24 126.62(12) . . ? C38 C37 C42 122.22(12) . . ? C42 C37 C24 111.13(11) . . ? C37 C38 H38 120.8 . . ? C37 C38 C39 118.44(12) . . ? C39 C38 H38 120.8 . . ? C38 C39 H39 119.9 . . ? C38 C39 C40 120.12(13) . . ? C40 C39 H39 119.9 . . ? C39 C40 H40 119.3 . . ? C39 C40 C41 121.45(12) . . ? C41 C40 H40 119.3 . . ? C40 C41 H41 120.6 . . ? C40 C41 C42 118.87(12) . . ? C42 C41 H41 120.6 . . ? C37 C42 C43 108.15(11) . . ? C41 C42 C37 118.84(12) . . ? C41 C42 C43 132.85(12) . . ? C5 C43 C23 120.23(12) . . ? C5 C43 C42 131.60(12) . . ? C23 C43 C42 108.13(11) . . ? 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 C1 H1 0.9500 . ? C1 C2 1.382(3) . ? C1 C18 1.381(3) . ? C2 H2 0.9500 . ? C2 C3 1.385(2) . ? C3 H3 0.9500 . ? C3 C4 1.396(2) . ? C4 C5 1.4896(19) . ? C4 C17 1.395(2) . ? C5 C6 1.399(2) . ? C5 C43 1.4038(18) . ? C6 H6 0.9500 . ? C6 C7 1.384(2) . ? C7 H7 0.9500 . ? C7 C8 1.4004(19) . ? C8 C9 1.4957(19) . ? C8 C23 1.3921(19) . ? C9 C10 1.386(2) . ? C9 C19 1.388(2) . ? C10 H10 0.9500 . ? C10 C11 1.386(2) . ? C11 H11 0.9500 . ? C11 C12 1.396(2) . ? C12 C13 1.4918(19) . ? C12 C20 1.3876(19) . ? C13 C14 1.398(2) . ? C13 C21 1.392(2) . ? C14 H14 0.9500 . ? C14 C15 1.382(2) . ? C15 H15 0.9500 . ? C15 C16 1.377(2) . ? C16 H16 0.9500 . ? C16 C22 1.379(2) . ? C17 H17 0.9500 . ? C17 C18 1.388(2) . ? C18 H18 0.9500 . ? C19 H19 0.9500 . ? C19 C20 1.383(2) . ? C20 H20 0.9500 . ? C21 H21 0.9500 . ? C21 C22 1.388(2) . ? C22 H22 0.9500 . ? C23 C24 1.5236(18) . ? C23 C43 1.4095(18) . ? C24 C25 1.5200(18) . ? C24 C32 1.5287(18) . ? C24 C37 1.5215(18) . ? C25 C26 1.4004(18) . ? C25 C36 1.3807(19) . ? C26 C27 1.4690(18) . ? C26 C33 1.3854(19) . ? C27 C28 1.3883(19) . ? C27 C32 1.4019(18) . ? C28 H28 0.9500 . ? C28 C29 1.393(2) . ? C29 H29 0.9500 . ? C29 C30 1.388(2) . ? C30 H30 0.9500 . ? C30 C31 1.393(2) . ? C31 H31 0.9500 . ? C31 C32 1.3805(19) . ? C33 H33 0.9500 . ? C33 C34 1.387(2) . ? C34 H34 0.9500 . ? C34 C35 1.388(2) . ? C35 H35 0.9500 . ? C35 C36 1.391(2) . ? C36 H36 0.9500 . ? C37 C38 1.3812(19) . ? C37 C42 1.4001(18) . ? C38 H38 0.9500 . ? C38 C39 1.3887(19) . ? C39 H39 0.9500 . ? C39 C40 1.3893(19) . ? C40 H40 0.9500 . ? C40 C41 1.3896(19) . ? C41 H41 0.9500 . ? C41 C42 1.3971(18) . ? C42 C43 1.4823(18) . ? 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 C1 C2 C3 C4 0.1(2) . . . . ? C2 C1 C18 C17 0.6(3) . . . . ? C2 C3 C4 C5 178.17(13) . . . . ? C2 C3 C4 C17 1.6(2) . . . . ? C3 C4 C5 C6 -129.22(15) . . . . ? C3 C4 C5 C43 47.63(19) . . . . ? C3 C4 C17 C18 -2.2(2) . . . . ? C4 C5 C6 C7 174.39(13) . . . . ? C4 C5 C43 C23 -170.57(12) . . . . ? C4 C5 C43 C42 12.1(2) . . . . ? C4 C17 C18 C1 1.1(2) . . . . ? C5 C4 C17 C18 -178.73(14) . . . . ? C5 C6 C7 C8 -2.3(2) . . . . ? C6 C5 C43 C23 6.36(19) . . . . ? C6 C5 C43 C42 -170.92(13) . . . . ? C6 C7 C8 C9 -177.34(13) . . . . ? C6 C7 C8 C23 3.5(2) . . . . ? C7 C8 C9 C10 -72.05(19) . . . . ? C7 C8 C9 C19 107.23(16) . . . . ? C7 C8 C23 C24 -179.80(13) . . . . ? C7 C8 C23 C43 0.3(2) . . . . ? C8 C9 C10 C11 -179.94(15) . . . . ? C8 C9 C19 C20 178.91(13) . . . . ? C8 C23 C24 C25 -51.32(19) . . . . ? C8 C23 C24 C32 67.47(17) . . . . ? C8 C23 C24 C37 -173.17(13) . . . . ? C8 C23 C43 C5 -5.4(2) . . . . ? C8 C23 C43 C42 172.48(12) . . . . ? C9 C8 C23 C24 1.0(2) . . . . ? C9 C8 C23 C43 -178.83(12) . . . . ? C9 C10 C11 C12 0.5(3) . . . . ? C9 C19 C20 C12 1.6(2) . . . . ? C10 C9 C19 C20 -1.8(2) . . . . ? C10 C11 C12 C13 -179.13(15) . . . . ? C10 C11 C12 C20 -0.8(2) . . . . ? C11 C12 C13 C14 167.05(14) . . . . ? C11 C12 C13 C21 -12.7(2) . . . . ? C11 C12 C20 C19 -0.3(2) . . . . ? C12 C13 C14 C15 179.73(14) . . . . ? C12 C13 C21 C22 -179.58(15) . . . . ? C13 C12 C20 C19 178.10(13) . . . . ? C13 C14 C15 C16 -0.1(2) . . . . ? C13 C21 C22 C16 -0.2(3) . . . . ? C14 C13 C21 C22 0.7(2) . . . . ? C14 C15 C16 C22 0.6(2) . . . . ? C15 C16 C22 C21 -0.5(3) . . . . ? C17 C4 C5 C6 47.24(19) . . . . ? C17 C4 C5 C43 -135.91(15) . . . . ? C18 C1 C2 C3 -1.2(2) . . . . ? C19 C9 C10 C11 0.7(2) . . . . ? C20 C12 C13 C14 -11.2(2) . . . . ? C20 C12 C13 C21 169.02(14) . . . . ? C21 C13 C14 C15 -0.5(2) . . . . ? C23 C8 C9 C10 107.10(17) . . . . ? C23 C8 C9 C19 -73.62(18) . . . . ? C23 C24 C25 C26 129.63(12) . . . . ? C23 C24 C25 C36 -56.09(19) . . . . ? C23 C24 C32 C27 -131.07(12) . . . . ? C23 C24 C32 C31 48.06(18) . . . . ? C23 C24 C37 C38 174.33(13) . . . . ? C23 C24 C37 C42 -3.57(14) . . . . ? C24 C23 C43 C5 174.73(12) . . . . ? C24 C23 C43 C42 -7.40(15) . . . . ? C24 C25 C26 C27 -5.18(15) . . . . ? C24 C25 C26 C33 173.75(12) . . . . ? C24 C25 C36 C35 -173.99(13) . . . . ? C24 C37 C38 C39 -177.06(12) . . . . ? C24 C37 C42 C41 175.45(11) . . . . ? C24 C37 C42 C43 -0.59(15) . . . . ? C25 C24 C32 C27 -2.80(14) . . . . ? C25 C24 C32 C31 176.34(13) . . . . ? C25 C24 C37 C38 47.31(18) . . . . ? C25 C24 C37 C42 -130.59(12) . . . . ? C25 C26 C27 C28 -174.05(14) . . . . ? C25 C26 C27 C32 3.26(15) . . . . ? C25 C26 C33 C34 1.3(2) . . . . ? C26 C25 C36 C35 -0.2(2) . . . . ? C26 C27 C28 C29 177.45(14) . . . . ? C26 C27 C32 C24 -0.07(14) . . . . ? C26 C27 C32 C31 -179.27(12) . . . . ? C26 C33 C34 C35 -0.5(2) . . . . ? C27 C26 C33 C34 -179.99(13) . . . . ? C27 C28 C29 C30 0.7(2) . . . . ? C28 C27 C32 C24 177.61(12) . . . . ? C28 C27 C32 C31 -1.6(2) . . . . ? C28 C29 C30 C31 -0.6(2) . . . . ? C29 C30 C31 C32 -0.6(2) . . . . ? C30 C31 C32 C24 -177.39(13) . . . . ? C30 C31 C32 C27 1.7(2) . . . . ? C32 C24 C25 C26 4.85(14) . . . . ? C32 C24 C25 C36 179.14(13) . . . . ? C32 C24 C37 C38 -64.83(17) . . . . ? C32 C24 C37 C42 117.27(12) . . . . ? C32 C27 C28 C29 0.4(2) . . . . ? C33 C26 C27 C28 7.2(2) . . . . ? C33 C26 C27 C32 -175.53(14) . . . . ? C33 C34 C35 C36 -0.8(2) . . . . ? C34 C35 C36 C25 1.1(2) . . . . ? C36 C25 C26 C27 -179.96(12) . . . . ? C36 C25 C26 C33 -1.0(2) . . . . ? C37 C24 C25 C26 -113.36(12) . . . . ? C37 C24 C25 C36 60.92(18) . . . . ? C37 C24 C32 C27 115.24(12) . . . . ? C37 C24 C32 C31 -65.63(17) . . . . ? C37 C38 C39 C40 1.3(2) . . . . ? C37 C42 C43 C5 -177.51(14) . . . . ? C37 C42 C43 C23 4.96(15) . . . . ? C38 C37 C42 C41 -2.6(2) . . . . ? C38 C37 C42 C43 -178.59(12) . . . . ? C38 C39 C40 C41 -1.4(2) . . . . ? C39 C40 C41 C42 -0.6(2) . . . . ? C40 C41 C42 C37 2.49(19) . . . . ? C40 C41 C42 C43 177.35(13) . . . . ? C41 C42 C43 C5 7.2(3) . . . . ? C41 C42 C43 C23 -170.30(14) . . . . ? C42 C37 C38 C39 0.6(2) . . . . ? C43 C5 C6 C7 -2.7(2) . . . . ? C43 C23 C24 C25 128.56(12) . . . . ? C43 C23 C24 C32 -112.66(12) . . . . ? C43 C23 C24 C37 6.70(14) . . . . ?