#------------------------------------------------------------------------------ #$Date: 2024-07-09 00:42:20 +0300 (Tue, 09 Jul 2024) $ #$Revision: 293301 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/20/1572070.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_1572070 loop_ _publ_author_name 'K\"orner, Lukas' 'Bockfeld, Dirk' 'Bannenberg, Thomas' 'Tamm, Matthias' _publ_section_title ; 2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions ; _journal_name_full 'Catalysis Science & Technology' _journal_paper_doi 10.1039/D4CY00372A _journal_year 2024 _chemical_formula_moiety 'C25 H23 Fe N3 O3' _chemical_formula_sum 'C25 H23 Fe N3 O3' _chemical_formula_weight 469.31 _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' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2024-03-06 deposited with the CCDC. 2024-07-05 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 98.189(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.1127(2) _cell_length_b 14.3100(4) _cell_length_c 21.7165(6) _cell_measurement_reflns_used 52820 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 37.6410 _cell_measurement_theta_min 2.3500 _cell_volume 2187.83(11) _computing_cell_refinement 'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)' _computing_data_collection 'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)' _computing_data_reduction 'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)' _computing_publication_material 'OLEX2 v1.3 (O. V. Dolomanov et al., J. Appl. Cryst., 2009, 42, 339-341)' _computing_structure_refinement 'SHELXL-2018/3 (G. M. Sheldrick, Acta Cryst., 2015, C71, 3-8)' _computing_structure_solution 'SHELXT 2018/2 (G. M. Sheldrick, Acta Cryst., 2015, A71, 3-8)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100(2) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.951 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at offset/far, HyPix' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0561 _diffrn_reflns_av_unetI/netI 0.0298 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.951 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_number 110079 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.951 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 37.924 _diffrn_reflns_theta_min 2.370 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.722 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.712 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.64a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.425 _exptl_crystal_description block _exptl_crystal_F_000 976 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.090 _exptl_crystal_size_min 0.070 _refine_diff_density_max 0.604 _refine_diff_density_min -0.292 _refine_diff_density_rms 0.070 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 292 _refine_ls_number_reflns 11282 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.056 _refine_ls_R_factor_all 0.0484 _refine_ls_R_factor_gt 0.0356 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0531P)^2^+0.3262P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0942 _refine_ls_wR_factor_ref 0.0987 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9080 _reflns_number_total 11282 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4cy00372a3.cif _cod_data_source_block lk41db _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1572070 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.918 _shelx_estimated_absorpt_t_max 0.951 _oxdiff_exptl_absorpt_empirical_full_min 0.824 _oxdiff_exptl_absorpt_empirical_full_max 1.370 _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling - Detector area scaling ; _shelx_res_file ; TITL lk41db_a.res in P2(1)/n lk41db.res created by SHELXL-2018/3 at 16:28:10 on 17-Feb-2023 REM Old TITL lk41db in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.075, Rweak 0.003, Alpha 0.023 REM 0.617 for 194 systematic absences, Orientation as input REM Formula found by SHELXT: C25 N3 O3 Fe CELL 0.71073 7.1127 14.31 21.7165 90 98.189 90 ZERR 4 0.0002 0.0004 0.0006 0 0.003 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H Fe N O UNIT 100 92 4 12 12 L.S. 4 0 0 PLAN 5 SIZE 0.07 0.09 0.12 TEMP -173 CONF BOND list 4 fmap 2 53 ACTA REM REM REM WGHT 0.053100 0.326200 FVAR 0.46266 FE1 3 0.696430 0.693065 0.628260 11.00000 0.01377 0.01740 = 0.01388 -0.00046 0.00231 -0.00240 O1 5 0.326498 0.594602 0.537470 11.00000 0.02031 0.01736 = 0.01665 -0.00110 -0.00135 -0.00256 O2 5 1.043898 0.604260 0.690458 11.00000 0.02201 0.07162 = 0.05052 0.02802 0.00325 0.00910 O3 5 0.873406 0.877620 0.646452 11.00000 0.03242 0.02633 = 0.03384 -0.00813 0.00860 -0.01168 N1 4 0.544877 0.640430 0.756111 11.00000 0.02095 0.02260 = 0.01268 0.00134 0.00232 0.00320 N2 4 0.424635 0.820067 0.702855 11.00000 0.02120 0.01745 = 0.01414 -0.00154 0.00193 0.00056 N3 4 0.758974 0.654463 0.546238 11.00000 0.01703 0.02028 = 0.01931 -0.00004 0.00304 -0.00330 C1 1 0.396329 0.632284 0.586744 11.00000 0.01429 0.01582 = 0.01527 0.00081 0.00200 -0.00200 C2 1 0.497963 0.587313 0.642964 11.00000 0.01513 0.01535 = 0.01529 0.00124 0.00214 -0.00142 C3 1 0.511093 0.655259 0.692469 11.00000 0.01497 0.01816 = 0.01339 0.00107 0.00243 -0.00084 C4 1 0.449350 0.744474 0.665936 11.00000 0.01490 0.01710 = 0.01450 -0.00046 0.00289 -0.00093 C5 1 0.411182 0.733680 0.599320 11.00000 0.01513 0.01569 = 0.01381 0.00075 0.00167 -0.00175 C6 1 0.510995 0.484693 0.647457 11.00000 0.01478 0.01600 = 0.01636 0.00192 0.00028 -0.00181 C7 1 0.575269 0.433802 0.599511 11.00000 0.01845 0.01723 = 0.01843 0.00077 0.00117 0.00031 AFIX 43 H7 2 0.623241 0.465830 0.566728 11.00000 -1.20000 AFIX 0 C8 1 0.569365 0.336605 0.599545 11.00000 0.02157 0.01814 = 0.02354 -0.00131 -0.00194 0.00110 AFIX 43 H8 2 0.613020 0.302584 0.566785 11.00000 -1.20000 AFIX 0 C9 1 0.499648 0.289088 0.647465 11.00000 0.02420 0.01718 = 0.02780 0.00384 -0.00549 -0.00266 AFIX 43 H9 2 0.493047 0.222781 0.646945 11.00000 -1.20000 AFIX 0 C10 1 0.439635 0.338966 0.696144 11.00000 0.02290 0.02122 = 0.02347 0.00647 -0.00196 -0.00617 AFIX 43 H10 2 0.395840 0.306598 0.729558 11.00000 -1.20000 AFIX 0 C11 1 0.443724 0.436205 0.695916 11.00000 0.01898 0.02079 = 0.01806 0.00269 0.00125 -0.00479 AFIX 43 H11 2 0.400555 0.469941 0.728882 11.00000 -1.20000 AFIX 0 C12 1 0.708928 0.584504 0.781523 11.00000 0.02694 0.02249 = 0.01661 0.00066 -0.00170 0.00502 AFIX 137 H12A 2 0.725075 0.532997 0.753000 11.00000 -1.50000 H12B 2 0.689068 0.559131 0.822014 11.00000 -1.50000 H12C 2 0.822975 0.623769 0.786646 11.00000 -1.50000 AFIX 0 C13 1 0.501212 0.719908 0.794189 11.00000 0.02645 0.02708 = 0.01389 0.00077 0.00468 0.00658 AFIX 23 H13A 2 0.580904 0.715845 0.835371 11.00000 -1.20000 H13B 2 0.366672 0.715813 0.800897 11.00000 -1.20000 AFIX 0 C14 1 0.534469 0.814165 0.765100 11.00000 0.02497 0.02458 = 0.01486 -0.00356 0.00039 0.00232 AFIX 23 H14A 2 0.495554 0.864952 0.791553 11.00000 -1.20000 H14B 2 0.671308 0.821907 0.762304 11.00000 -1.20000 AFIX 0 C15 1 0.402427 0.913509 0.676026 11.00000 0.02686 0.01789 = 0.01950 -0.00208 0.00293 0.00001 AFIX 137 H15A 2 0.518138 0.930864 0.659096 11.00000 -1.50000 H15B 2 0.380070 0.958317 0.708331 11.00000 -1.50000 H15C 2 0.294148 0.914147 0.642618 11.00000 -1.50000 AFIX 0 C16 1 0.327925 0.800716 0.550676 11.00000 0.01860 0.01436 = 0.01355 -0.00018 0.00242 -0.00195 C17 1 0.130739 0.804911 0.536503 11.00000 0.01894 0.02365 = 0.01981 0.00338 0.00251 0.00002 AFIX 43 H17 2 0.054544 0.767239 0.559165 11.00000 -1.20000 AFIX 0 C18 1 0.043488 0.863413 0.489667 11.00000 0.02497 0.03191 = 0.02460 0.00521 0.00021 0.00648 AFIX 43 H18 2 -0.091129 0.865774 0.480795 11.00000 -1.20000 AFIX 0 C19 1 0.153397 0.918178 0.456024 11.00000 0.03971 0.02136 = 0.01878 0.00360 0.00097 0.00473 AFIX 43 H19 2 0.094569 0.958947 0.424501 11.00000 -1.20000 AFIX 0 C20 1 0.350099 0.913039 0.468718 11.00000 0.03813 0.02115 = 0.02033 0.00552 0.00405 -0.00617 AFIX 43 H20 2 0.425877 0.949678 0.445285 11.00000 -1.20000 AFIX 0 C21 1 0.437112 0.854416 0.515662 11.00000 0.02467 0.02204 = 0.02009 0.00423 0.00352 -0.00655 AFIX 43 H21 2 0.571762 0.851100 0.523803 11.00000 -1.20000 AFIX 0 C22 1 0.905440 0.638648 0.667796 11.00000 0.01878 0.03537 = 0.02509 0.00706 0.00450 -0.00147 C23 1 0.803469 0.805094 0.637418 11.00000 0.01895 0.02424 = 0.01936 -0.00290 0.00532 -0.00397 C24 1 0.818726 0.629691 0.502649 11.00000 0.01613 0.02131 = 0.01816 0.00000 0.00175 -0.00204 C25 1 0.906159 0.599122 0.449272 11.00000 0.01851 0.02781 = 0.01766 -0.00257 0.00352 0.00070 AFIX 137 H25A 2 0.863748 0.639584 0.413581 11.00000 -1.50000 H25B 2 0.868795 0.534462 0.438907 11.00000 -1.50000 H25C 2 1.044686 0.602781 0.459461 11.00000 -1.50000 AFIX 0 HKLF 4 REM lk41db_a.res in P2(1)/n REM wR2 = 0.0987, GooF = S = 1.056, Restrained GooF = 1.056 for all data REM R1 = 0.0356 for 9080 Fo > 4sig(Fo) and 0.0484 for all 11282 data REM 292 parameters refined using 0 restraints END WGHT 0.0531 0.3262 REM Highest difference peak 0.604, deepest hole -0.292, 1-sigma level 0.070 Q1 1 0.2466 0.9179 0.4613 11.00000 0.05 0.60 Q2 1 0.5398 0.4618 0.6208 11.00000 0.05 0.59 Q3 1 0.4704 0.6989 0.6810 11.00000 0.05 0.54 Q4 1 0.2310 0.8023 0.5426 11.00000 0.05 0.53 Q5 1 0.0821 0.8384 0.5170 11.00000 0.05 0.52 ; _shelx_res_checksum 20367 _shelx_hkl_file ; 0 0 3 0.15 0.80 0 0 -3 -0.49 0.89 0 0 3 0.05 0.69 0 0 3 0.24 0.53 0 0 -3 0.43 0.73 0 0 -3 1.29 0.82 0 0 -3 1.13 0.66 0 0 4 427.81 20.11 0 0 4 429.20 19.97 0 0 4 419.96 19.85 0 0 -4 414.90 20.07 0 0 -4 425.09 20.04 0 0 -4 422.56 19.97 0 0 -5 -0.12 1.19 0 0 5 0.47 0.90 0 0 -5 0.29 0.84 0 0 -5 0.29 0.99 0 0 5 -0.51 1.38 0 0 -6 2675.97 123.90 0 0 -6 2630.66 123.58 0 0 -6 2637.90 123.72 0 0 6 2741.55 123.95 0 0 -7 0.35 1.44 0 0 -7 0.62 0.98 0 0 -7 -0.27 1.16 0 0 7 0.92 1.55 0 0 -8 76.67 4.67 0 0 -8 74.44 4.22 0 0 -8 74.65 4.51 0 0 -8 79.20 4.44 0 0 8 77.57 4.82 0 0 -9 0.45 1.81 0 0 -9 -0.42 1.58 0 0 -9 -0.19 1.59 0 0 -9 -0.27 1.23 0 0 -9 0.89 1.42 0 0 9 -0.24 1.86 0 0 10 395.37 20.40 0 0 -10 427.34 19.81 0 0 -10 394.64 20.07 0 0 -10 436.09 20.40 0 0 -10 422.84 20.23 0 0 10 412.28 20.36 0 0 -10 385.27 19.99 0 0 11 -1.53 1.96 0 0 -11 0.23 1.64 0 0 -11 0.34 1.26 0 0 -11 0.52 1.69 0 0 -11 -0.28 1.92 0 0 11 -0.86 1.85 0 0 -11 -0.67 1.45 0 0 12 2196.81 102.79 0 0 -12 2126.91 102.36 0 0 -12 2177.71 102.51 0 0 -12 2197.91 102.65 0 0 12 2237.75 102.71 0 0 -12 2205.06 102.01 0 0 -12 2161.48 102.28 0 0 13 0.37 2.18 0 0 -13 1.40 1.41 0 0 -13 0.85 1.73 0 0 -13 -0.63 1.75 0 0 -13 0.68 1.89 0 0 13 3.85 2.08 0 0 -13 0.53 1.66 0 0 14 2.43 2.19 0 0 -14 6.77 2.05 0 0 -14 3.90 1.52 0 0 -14 4.77 2.19 0 0 -14 1.70 1.78 0 0 14 1.53 1.92 0 0 -14 4.36 1.77 0 0 15 -0.44 2.20 0 0 -15 -0.33 1.93 0 0 -15 -1.17 1.63 0 0 -15 1.10 1.82 0 0 -15 0.40 2.15 0 0 15 -1.24 2.32 0 0 -15 0.31 1.51 0 0 16 105.88 6.98 0 0 -16 91.29 6.33 0 0 -16 92.00 6.33 0 0 16 98.97 6.83 0 0 -16 89.03 5.70 0 0 -16 103.53 6.28 0 0 17 -0.51 2.44 0 0 -17 1.06 1.65 0 0 -17 1.16 2.12 0 0 -17 1.70 2.19 0 0 17 1.94 2.60 0 0 -17 -0.72 1.94 0 0 18 415.69 21.84 0 0 -18 415.43 21.21 0 0 -18 409.00 21.36 0 0 18 398.91 21.66 0 0 -18 409.10 20.51 0 0 -18 413.37 21.00 0 0 19 2.35 2.88 0 0 -19 -0.44 2.61 0 0 -19 0.30 1.93 0 0 -19 -0.97 2.52 0 0 19 -2.79 2.82 0 0 -19 0.41 2.15 0 0 20 170.53 10.67 0 0 -20 160.25 9.91 0 0 -20 162.45 10.18 0 0 20 156.51 10.53 0 0 -20 172.52 9.86 0 0 -20 151.32 9.12 0 0 21 0.66 3.19 0 0 -21 -2.48 2.82 0 0 -21 3.29 2.27 0 0 -21 1.10 2.55 0 0 21 3.83 3.55 0 0 -21 -0.92 2.27 0 0 22 400.33 21.53 0 0 -22 418.93 20.73 0 0 -22 373.84 20.70 0 0 22 376.88 21.20 0 0 -22 365.34 20.22 0 0 -22 374.83 19.52 0 0 23 3.71 3.51 0 0 -23 1.66 2.96 0 0 -23 0.36 2.27 0 0 -23 -1.23 2.85 0 0 23 0.72 3.31 0 0 -23 1.03 2.51 0 0 24 205.02 13.48 0 0 -24 203.75 12.63 0 0 -24 209.62 12.93 0 0 24 232.51 13.90 0 0 -24 200.72 11.53 0 0 -24 199.77 12.33 0 0 25 -0.82 4.00 0 0 -25 1.55 2.49 0 0 -25 1.83 3.37 0 0 -25 3.42 3.23 0 0 25 0.80 4.00 0 0 -25 0.57 2.89 0 0 26 34.43 5.34 0 0 -26 38.31 5.01 0 0 26 35.13 5.53 0 0 -26 26.67 3.44 0 0 -26 26.76 4.30 0 0 -26 25.11 4.41 0 0 -27 2.66 3.51 0 0 27 -1.76 4.19 0 0 -27 -2.49 3.20 0 0 -27 -1.23 2.61 0 0 -27 2.25 3.51 0 0 -28 66.58 6.75 0 0 28 59.87 7.70 0 0 -28 61.69 6.29 0 0 -28 72.69 5.50 0 0 -28 65.88 6.83 0 0 -29 -0.72 4.07 0 0 29 -2.89 4.63 0 0 -29 -1.35 3.48 0 0 -29 0.82 3.62 0 0 -30 105.91 8.96 0 0 30 109.11 9.98 0 0 -30 97.71 8.41 0 0 -30 109.68 9.13 0 0 -31 -1.54 4.05 0 0 31 1.03 4.78 0 0 -31 -1.45 3.93 0 0 -31 1.76 4.03 0 0 -32 3.16 4.30 0 0 32 6.41 5.05 0 0 -32 0.74 3.78 0 0 -32 0.91 4.30 0 0 -33 -0.81 4.40 0 0 33 -2.20 5.14 0 0 -33 3.74 4.07 0 0 -33 -1.87 4.19 0 0 -34 24.74 5.82 0 0 -34 32.68 6.02 0 0 34 38.40 7.31 0 0 -34 23.48 4.97 0 0 -35 0.98 4.25 0 0 35 1.15 5.05 0 0 35 -2.99 4.99 0 0 -35 1.67 4.55 0 0 -36 18.60 5.48 0 0 36 19.28 5.98 0 0 36 18.78 6.25 0 -1 2 7509.05 365.42 0 1 -2 7651.62 365.44 0 1 -2 7825.54 365.39 0 -1 2 8029.46 365.40 0 1 2 7978.45 365.35 0 1 2 8314.30 365.37 0 -1 -2 7417.08 365.35 0 -1 2 8083.86 365.41 0 -1 -2 7844.50 365.34 0 1 2 7628.59 365.33 0 1 -2 8141.28 365.44 0 -1 2 7746.46 365.41 0 1 -2 7904.20 365.39 0 -1 -2 7944.51 365.34 0 -1 -2 8383.71 365.27 0 1 2 7730.04 365.33 0 1 2 8057.46 365.46 0 1 -2 7902.88 365.32 0 -1 -2 7739.08 365.42 0 1 -3 1696.63 79.54 0 -1 3 1766.15 79.54 0 1 3 1790.49 79.47 0 1 -3 1737.98 79.50 0 1 3 1625.78 79.43 0 -1 -3 1757.44 79.47 0 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7 4 206.24 10.11 0 7 -4 185.67 10.58 0 7 4 188.50 10.47 0 7 -4 191.77 10.70 0 -7 -5 640.66 30.10 0 -7 -5 607.00 29.88 0 7 5 609.05 30.08 0 7 -5 598.66 30.55 0 7 5 625.29 29.95 0 -7 5 631.41 30.05 0 7 -5 617.95 30.25 0 -7 5 615.75 30.22 0 7 5 622.82 30.05 0 7 5 616.02 29.52 0 -7 -6 3.76 1.98 0 7 6 6.13 1.69 0 7 -6 4.06 2.36 0 7 6 2.21 1.71 0 -7 6 2.64 2.11 0 7 6 4.52 1.80 0 -7 6 2.94 2.04 0 7 -6 3.03 2.11 0 -7 -6 6.04 2.21 0 -7 -7 1122.06 51.26 0 7 7 1071.75 50.95 0 7 7 1121.08 51.33 0 7 -7 1067.70 51.91 0 -7 7 1078.07 51.36 0 7 -7 1069.13 51.55 0 -7 7 1117.43 51.55 0 7 7 1044.43 51.21 0 -7 -7 992.85 51.15 0 -7 -8 20.45 2.06 0 -7 -8 26.28 2.83 0 7 -8 17.83 3.20 0 7 8 24.33 2.50 0 -7 8 19.95 3.01 0 7 8 23.12 2.68 0 7 8 23.43 2.73 0 -7 8 26.20 3.14 0 7 8 22.36 1.45 0 -7 8 21.33 2.56 0 7 8 26.27 3.23 0 -7 -9 463.62 22.83 0 7 9 478.11 23.58 0 7 9 472.18 23.13 0 7 -9 491.87 24.33 0 -7 9 481.41 23.86 0 7 -9 452.32 22.65 0 -7 -9 489.26 23.64 0 -7 9 481.88 23.93 0 7 9 485.21 24.30 0 -7 9 468.95 23.29 0 -7 -10 1041.50 48.93 0 7 10 1054.42 49.70 0 7 10 1049.00 49.17 0 7 -10 1014.67 50.36 0 -7 -10 1008.38 49.57 0 -7 10 1071.44 50.05 0 7 -10 1017.30 48.76 0 -7 -10 1047.28 49.75 0 -7 10 1012.21 50.00 0 7 10 1063.58 50.46 0 -7 10 1023.74 49.36 0 -7 -11 104.26 6.56 0 -7 -11 95.08 5.75 0 7 11 106.09 6.53 0 7 11 101.16 6.00 0 7 -11 93.44 7.13 0 -7 11 105.71 7.07 0 -7 -11 93.34 6.36 0 -7 -11 91.81 6.51 0 7 -11 101.30 5.67 0 -7 11 102.28 6.90 0 7 11 100.55 7.14 0 -7 11 102.72 6.35 0 7 -12 41.12 3.05 0 -7 -12 37.69 3.89 0 7 12 41.07 3.71 0 -7 12 33.93 4.15 0 7 -12 35.54 4.31 0 7 12 33.67 3.12 0 -7 -12 34.19 3.60 0 -7 -12 38.22 3.70 0 -7 -12 34.71 2.95 0 7 12 38.30 4.32 0 -7 12 48.82 3.89 0 -7 -13 25.28 3.38 0 7 -13 18.37 2.27 0 7 13 21.11 3.08 0 -7 13 16.94 3.66 0 7 -13 22.73 3.69 0 7 13 26.24 2.63 0 -7 -13 24.23 3.05 0 -7 -13 25.65 2.42 0 -7 -13 22.53 3.25 0 -7 13 19.74 2.98 0 7 13 21.40 3.60 0 7 -14 1052.25 51.36 0 -7 -14 1137.90 52.63 0 7 14 1095.19 51.57 0 7 14 1063.92 52.39 0 7 -14 1162.37 53.37 0 -7 -14 1092.24 52.32 0 7 -14 1097.28 53.14 0 -7 -14 1047.74 51.43 0 -7 -14 1056.15 52.26 0 7 14 1106.61 53.35 0 -7 14 1098.34 52.12 0 -7 -15 68.58 5.77 0 7 -15 77.96 4.87 0 7 15 75.83 5.71 0 7 15 78.58 4.96 0 -7 -15 71.64 5.58 0 7 -15 63.09 4.41 0 7 15 68.95 4.55 0 7 -15 72.63 6.43 0 -7 -15 78.67 5.80 0 -7 -15 65.50 4.71 0 7 15 70.21 6.29 0 -7 15 64.59 5.35 0 7 -16 58.62 4.19 0 -7 -16 58.01 5.29 0 7 16 46.25 3.99 0 7 16 48.39 4.81 0 -7 -16 56.80 4.82 0 7 16 50.36 3.68 0 7 -16 50.68 3.62 0 7 -16 54.87 5.64 0 7 16 48.91 5.63 0 -7 16 59.27 4.94 0 -7 -16 57.29 4.98 0 -7 -16 57.14 4.13 0 -7 -17 35.82 4.07 0 -7 -17 33.99 3.33 0 -7 -17 31.71 4.40 0 7 -17 36.68 3.42 0 7 17 33.76 3.23 0 7 17 30.38 4.08 0 7 -17 35.41 2.91 0 7 17 41.65 3.01 0 7 -17 39.64 4.95 0 -7 -17 42.06 4.20 0 -7 17 35.15 4.23 0 7 17 44.36 5.30 0 -7 17 31.45 2.95 0 -7 -18 104.39 7.24 0 -7 -18 105.69 6.48 0 -7 -18 105.96 7.82 0 7 -18 104.77 6.48 0 7 18 108.57 7.56 0 7 18 101.71 6.38 0 -7 -18 87.76 7.01 0 7 18 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206.08 12.97 0 -7 22 217.48 13.37 0 7 23 34.11 3.65 0 7 23 31.78 4.94 0 7 -23 34.57 3.99 0 7 -23 34.40 3.27 0 -7 -23 44.71 4.91 0 7 -23 41.71 6.11 0 7 -23 36.60 5.09 0 -7 -23 35.28 3.85 0 -7 -23 32.54 4.60 0 -7 23 30.78 4.84 0 7 24 59.15 4.65 0 7 24 49.83 6.06 0 -7 24 50.08 6.97 0 7 -24 63.68 5.06 0 7 -24 53.28 6.64 0 -7 -24 59.33 5.94 0 -7 -24 46.98 5.33 0 -7 -24 62.30 4.99 0 7 -24 46.78 5.62 0 -7 24 48.09 5.79 0 7 24 42.66 6.56 0 7 25 12.54 2.77 0 -7 25 16.49 5.38 0 7 25 12.80 3.93 0 7 -25 13.23 3.42 0 -7 -25 8.75 4.15 0 7 -25 7.49 4.40 0 -7 -25 10.92 3.90 0 -7 -25 6.03 3.46 0 -7 -25 10.79 2.84 0 7 -25 9.10 3.85 0 -7 25 1.39 3.74 0 7 25 15.48 4.95 0 7 26 156.41 10.87 0 -7 26 147.82 11.76 0 -7 -26 143.34 10.28 0 7 -26 132.46 9.04 0 -7 -26 146.30 10.89 0 7 -26 133.80 11.34 0 7 26 136.54 11.73 0 -7 26 130.37 10.20 0 -7 -26 149.33 10.04 0 7 -26 149.82 10.72 0 7 27 58.84 6.78 0 -7 27 61.16 7.43 0 7 -27 51.68 5.34 0 -7 -27 61.67 7.17 0 7 -27 40.11 6.26 0 -7 -27 64.84 6.76 0 7 -27 73.12 8.09 0 -7 27 64.16 7.02 0 7 27 56.85 7.69 0 7 -27 50.23 6.41 0 -7 -27 63.65 6.13 0 7 28 3.39 3.96 0 -7 28 5.48 4.96 0 -7 -28 0.89 4.35 0 7 -28 4.58 3.16 0 7 -28 4.51 4.08 0 -7 -28 5.74 3.75 0 7 -28 5.16 4.67 0 -7 28 3.94 4.29 0 7 28 -3.46 5.34 0 7 -28 -0.83 4.18 0 -7 -28 4.49 3.68 0 -7 29 6.82 5.25 0 7 29 0.88 4.35 0 -7 -29 1.82 5.00 0 7 -29 2.79 4.02 0 -7 -29 -3.39 3.57 0 -7 29 -3.27 4.34 0 7 29 -3.58 4.96 0 -7 -29 -1.95 3.78 0 7 -29 4.29 3.84 0 -7 30 30.53 6.75 0 -7 -30 30.92 6.25 0 7 -30 44.01 6.30 0 -7 -30 28.00 5.46 0 7 30 34.39 7.24 0 -7 30 37.15 5.81 0 7 -30 40.51 6.38 0 -7 -30 21.74 5.13 0 -7 31 19.34 6.35 0 -7 -31 24.97 5.84 0 7 -31 16.66 4.91 0 -7 -31 10.83 4.49 0 7 31 13.90 6.41 0 -7 31 11.29 4.88 0 -7 -31 9.29 4.44 0 7 -31 17.12 4.80 0 -7 32 2.48 5.80 0 -7 -32 9.80 5.69 0 -7 -32 0.93 4.33 0 7 -32 -1.00 4.84 0 7 32 -3.88 6.04 0 -7 32 3.59 4.32 0 -7 -32 3.33 3.84 0 7 -32 -0.92 4.38 0 -7 33 -2.54 5.68 0 -7 -33 3.99 5.26 0 7 -33 1.03 4.99 0 -7 -33 10.45 4.88 0 -7 33 2.74 4.14 0 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27.15 0 8 4 557.84 27.11 0 -8 -4 538.91 26.62 0 -8 4 530.98 26.92 0 -8 4 541.81 27.23 0 8 -4 545.09 27.28 0 8 4 548.11 27.09 0 8 4 550.84 26.56 0 8 -4 561.88 27.22 0 -8 -5 18.83 2.54 0 8 5 30.33 2.87 0 8 5 23.69 2.79 0 -8 5 23.73 2.93 0 8 5 29.10 2.77 0 -8 5 27.99 3.04 0 8 -5 29.06 3.14 0 8 5 17.88 2.11 0 -8 -5 26.57 3.01 0 -8 -6 94.67 5.95 0 -8 -6 85.59 5.69 0 8 6 96.48 5.99 0 8 -6 86.26 6.44 0 8 6 95.31 5.79 0 -8 6 99.23 6.15 0 -8 6 86.01 6.02 0 8 -6 93.08 6.13 0 8 6 93.78 5.87 0 8 6 84.00 5.23 0 -8 -7 3.47 1.91 0 8 7 4.83 1.82 0 8 -7 6.19 2.77 0 8 7 2.59 1.78 0 -8 7 2.07 2.06 0 8 7 1.66 1.68 0 -8 7 1.54 2.01 0 8 -7 2.78 2.13 0 -8 -7 2.03 2.05 0 8 8 138.50 7.88 0 8 8 136.18 8.10 0 8 -8 139.47 8.84 0 -8 8 131.54 8.23 0 8 -8 140.44 8.54 0 -8 8 144.79 8.51 0 8 8 127.05 8.01 0 -8 -8 137.81 8.11 0 -8 -9 4.34 2.16 0 8 -9 3.62 2.47 0 8 9 1.41 1.70 0 8 -9 1.32 1.23 0 8 9 0.74 1.97 0 -8 9 5.97 2.70 0 8 9 0.73 1.82 0 -8 9 3.44 2.21 0 -8 9 6.02 2.06 0 8 -9 2.72 2.27 0 -8 -10 22.82 2.34 0 -8 -10 22.78 3.34 0 8 -10 26.68 2.38 0 8 10 27.04 2.77 0 8 -10 31.21 3.76 0 -8 10 24.36 3.58 0 8 10 25.94 3.12 0 8 10 25.20 2.99 0 -8 10 25.97 3.51 0 8 10 28.30 1.77 0 8 10 23.79 3.54 0 -8 10 23.75 2.99 0 -8 -11 576.62 29.15 0 8 -11 590.28 30.83 0 8 11 611.99 29.53 0 8 11 629.41 30.15 0 -8 11 620.60 30.44 0 -8 -11 636.38 30.22 0 8 -11 598.11 28.98 0 -8 11 598.14 30.48 0 8 11 587.55 30.79 0 8 11 604.93 28.55 0 -8 11 623.21 29.77 0 -8 -12 1958.46 91.22 0 -8 -12 1877.59 90.24 0 8 12 1945.60 91.29 0 8 -12 2026.60 92.18 0 8 12 1987.04 90.59 0 -8 -12 1805.94 91.02 0 -8 12 1960.50 91.64 0 -8 -12 1967.15 91.35 0 8 -12 1900.92 90.09 0 -8 12 1928.33 91.67 0 8 12 1873.53 92.02 0 -8 12 1943.35 90.85 0 8 -13 38.44 3.11 0 -8 -13 32.93 3.97 0 8 13 39.22 3.99 0 -8 13 38.76 4.57 0 8 13 39.93 3.51 0 8 -13 38.12 4.77 0 -8 -13 39.81 4.02 0 -8 -13 30.74 3.87 0 -8 -13 35.29 3.12 0 8 13 32.95 4.61 0 -8 13 40.65 3.93 0 -8 -14 3.43 2.73 0 8 -14 0.47 1.64 0 8 14 4.20 1.92 0 8 -14 -0.63 3.15 0 8 14 1.87 2.30 0 -8 14 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8 -18 98.28 5.65 0 8 18 84.60 5.58 0 8 -18 88.36 7.84 0 -8 18 95.47 7.04 0 8 18 94.62 8.09 0 -8 -19 16.96 2.56 0 -8 -19 10.24 3.21 0 8 -19 19.32 2.78 0 -8 -19 11.43 3.70 0 8 19 16.61 2.60 0 8 19 18.55 3.70 0 8 -19 18.40 2.17 0 8 -19 15.50 4.31 0 -8 -19 13.83 3.29 0 8 19 11.66 4.37 0 -8 19 13.20 3.43 0 -8 -19 13.11 2.36 0 -8 -20 176.06 8.95 0 -8 -20 163.84 10.61 0 -8 -20 148.44 9.38 0 8 -20 185.86 9.68 0 8 -20 154.67 9.03 0 -8 -20 156.35 11.02 0 8 20 168.12 10.80 0 8 20 160.46 9.48 0 -8 -20 170.04 10.71 0 8 -20 163.95 8.75 0 8 -20 154.60 8.68 0 8 -20 165.58 11.66 0 8 20 171.58 8.95 0 -8 20 177.79 10.67 0 8 21 6.05 2.46 0 8 21 3.94 3.01 0 8 -21 8.41 4.54 0 -8 -21 5.69 3.05 0 -8 -21 4.18 3.52 0 8 -21 6.47 2.38 0 8 -21 0.81 1.96 0 -8 -21 -1.12 2.54 0 -8 -21 5.17 3.13 0 8 -21 6.82 3.19 0 -8 21 5.08 3.39 0 8 22 83.10 7.13 0 8 22 80.55 5.57 0 8 -22 79.07 5.62 0 8 -22 76.80 5.05 0 -8 -22 68.09 6.51 0 8 -22 75.16 7.86 0 -8 -22 75.19 6.57 0 -8 -22 68.50 5.45 0 8 -22 66.72 6.71 0 -8 22 73.82 6.69 0 8 23 27.56 3.31 0 8 23 19.36 4.10 0 8 -23 28.15 3.51 0 -8 -23 24.86 4.22 0 8 -23 24.49 5.18 0 -8 -23 26.79 4.48 0 -8 -23 20.25 3.21 0 8 -23 23.58 4.40 0 -8 23 31.97 4.66 0 8 24 36.83 3.90 0 8 24 41.12 5.33 0 8 -24 39.40 4.15 0 8 -24 44.18 6.10 0 -8 -24 35.30 4.95 0 -8 24 28.19 4.91 0 -8 -24 38.75 5.04 0 8 -24 39.74 5.14 0 8 25 1.56 3.33 0 8 -25 6.91 2.99 0 8 -25 0.97 4.46 0 -8 -25 5.25 3.65 0 8 25 5.37 4.86 0 -8 25 3.44 3.89 0 8 -25 3.16 3.89 0 -8 -25 7.04 3.79 0 8 26 12.13 3.98 0 8 -26 9.88 3.15 0 8 -26 20.12 5.55 0 -8 -26 14.81 4.12 0 -8 26 15.76 4.20 0 8 26 28.94 6.04 0 -8 -26 9.16 3.85 0 8 -26 10.63 4.21 0 8 27 20.96 4.70 0 -8 -27 12.36 4.94 0 -8 -27 21.01 4.47 0 8 -27 16.60 5.48 0 8 27 19.61 6.18 0 -8 27 15.63 4.88 0 8 -27 10.11 4.44 0 -8 -27 21.35 4.64 0 -8 28 53.60 7.43 0 8 28 40.79 6.18 0 -8 -28 67.36 7.54 0 -8 -28 52.69 6.51 0 8 -28 56.55 6.86 0 8 -28 44.84 7.35 0 8 28 51.23 8.03 0 -8 28 52.78 6.65 0 8 -28 67.69 7.21 0 -8 -28 61.74 6.44 0 -8 29 18.48 5.85 0 8 29 14.34 4.70 0 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38.68 0 9 -6 787.39 39.11 0 -9 6 783.02 39.14 0 9 6 792.44 38.20 0 9 6 810.08 38.93 0 -9 -7 67.16 5.00 0 9 -7 62.04 5.49 0 9 7 62.30 4.76 0 9 7 70.20 5.04 0 -9 7 73.86 5.21 0 -9 -7 65.73 4.79 0 -9 7 58.79 5.13 0 9 -7 60.22 5.13 0 9 7 67.22 4.32 0 9 7 60.91 4.82 0 -9 -8 97.66 6.60 0 9 -8 109.00 7.58 0 9 8 111.30 6.95 0 9 8 96.48 6.44 0 -9 8 108.08 6.99 0 9 -8 93.98 7.01 0 -9 8 96.83 7.01 0 9 8 113.22 6.87 0 -9 -8 103.34 6.90 0 -9 -9 26.70 3.37 0 9 -9 23.95 3.93 0 9 9 29.93 3.18 0 9 9 28.50 3.28 0 -9 9 30.25 3.68 0 9 9 30.43 3.32 0 -9 9 21.54 3.46 0 9 -9 35.67 4.07 0 -9 9 26.14 3.18 0 9 10 609.04 30.11 0 9 10 590.47 29.57 0 9 -10 612.14 30.91 0 -9 10 597.32 30.23 0 9 -10 616.79 30.60 0 -9 10 605.17 30.43 0 -9 10 613.22 29.71 0 9 10 620.05 30.06 0 -9 -10 556.64 29.87 0 9 -10 606.05 28.83 0 9 -11 0.38 1.57 0 -9 -11 0.44 2.55 0 9 11 0.33 2.03 0 9 -11 3.68 3.20 0 9 11 -1.33 2.30 0 -9 11 7.28 3.11 0 9 11 1.31 2.42 0 -9 11 1.04 2.79 0 9 11 0.85 0.58 0 9 -11 6.60 3.06 0 -9 11 2.80 2.37 0 9 12 67.85 4.99 0 9 12 74.04 5.62 0 9 -12 69.15 6.28 0 -9 12 62.12 5.85 0 9 -12 70.32 4.41 0 -9 -12 73.20 5.78 0 -9 12 78.58 6.16 0 9 -12 72.25 6.20 0 9 12 71.54 6.36 0 9 12 65.71 3.70 0 9 12 63.35 5.39 0 -9 12 66.53 5.28 0 -9 -13 50.05 4.89 0 -9 -13 48.31 3.93 0 9 13 57.47 5.05 0 9 -13 46.74 5.39 0 9 13 58.45 4.48 0 -9 13 46.76 5.30 0 9 -13 58.14 3.87 0 -9 -13 47.03 4.89 0 -9 13 50.88 5.37 0 9 13 55.28 3.28 0 -9 13 58.87 4.82 0 9 13 63.86 6.05 0 -9 -14 800.48 38.58 0 -9 -14 782.26 39.64 0 -9 14 852.21 40.37 0 9 -14 883.66 41.05 0 9 14 764.56 39.68 0 9 14 793.45 38.93 0 9 -14 796.73 38.38 0 -9 -14 798.56 39.86 0 9 14 776.95 40.64 0 9 14 804.31 37.92 0 -9 14 820.89 39.35 0 9 -15 3.53 3.49 0 9 15 6.77 2.40 0 -9 15 4.34 3.34 0 -9 -15 12.09 2.83 0 9 15 10.54 2.95 0 9 -15 6.15 2.00 0 -9 -15 2.73 2.90 0 -9 -15 8.49 1.94 0 -9 -15 9.63 3.04 0 9 15 8.79 3.84 0 -9 15 15.55 3.29 0 -9 -16 105.44 7.84 0 -9 -16 107.20 6.82 0 -9 -16 109.74 8.23 0 9 -16 130.40 6.91 0 9 16 118.06 7.20 0 9 16 103.80 7.80 0 9 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8.69 0 -9 20 131.75 9.90 0 9 -20 126.76 6.99 0 9 -20 128.80 9.82 0 9 20 111.62 9.89 0 -9 20 117.89 8.48 0 9 21 12.02 2.88 0 9 21 13.71 3.84 0 -9 21 4.27 3.89 0 9 -21 11.88 2.33 0 9 -21 8.92 2.49 0 -9 -21 5.07 3.84 0 -9 -21 13.85 3.64 0 9 -21 13.20 4.54 0 9 -21 7.17 3.80 0 -9 -21 13.51 3.82 0 -9 -21 7.73 2.57 0 9 21 2.86 4.04 0 -9 21 7.97 3.57 0 9 22 74.37 7.34 0 9 22 87.15 6.18 0 -9 -22 78.44 7.17 0 -9 22 92.28 8.58 0 9 -22 94.35 6.15 0 -9 -22 87.61 7.98 0 9 -22 94.96 8.73 0 9 -22 88.49 7.75 0 -9 -22 82.71 7.25 0 -9 22 90.82 7.30 0 9 23 5.43 2.41 0 9 23 3.72 3.30 0 9 -23 1.50 2.45 0 -9 -23 3.14 3.90 0 9 -23 12.30 4.90 0 -9 -23 2.86 3.02 0 -9 23 7.48 3.67 0 9 -23 4.62 3.68 0 -9 -23 2.59 3.53 0 9 24 6.97 3.97 0 9 -24 12.54 2.89 0 -9 -24 18.59 4.22 0 9 -24 19.56 5.20 0 -9 24 13.07 4.21 0 -9 -24 23.22 4.41 0 9 -24 13.55 4.29 0 -9 -25 2.32 3.33 0 9 -25 1.01 4.91 0 9 -25 2.47 3.81 0 -9 -25 0.68 3.58 0 -9 25 -3.40 3.95 0 9 25 -1.61 3.91 0 -9 -26 24.81 4.93 0 9 -26 26.03 6.05 0 -9 -26 16.62 4.51 0 9 -26 35.67 5.43 0 -9 26 34.75 5.13 0 9 26 28.34 5.12 0 -9 -27 4.97 4.03 0 9 -27 -1.07 5.07 0 9 -27 7.01 4.66 0 -9 -27 3.53 4.01 0 9 27 5.96 5.74 0 -9 27 3.67 4.09 0 9 27 8.62 4.32 0 -9 -28 57.26 6.46 0 9 -28 62.79 7.96 0 9 -28 50.33 6.45 0 -9 -28 41.49 5.92 0 9 28 35.64 7.51 0 -9 28 38.93 6.22 0 9 28 48.98 6.50 0 9 29 0.92 4.33 0 -9 -29 3.84 4.58 0 -9 -29 -1.77 4.58 0 9 -29 -3.39 5.65 0 9 -29 -1.96 4.86 0 9 29 -1.26 5.65 0 -9 29 3.93 4.04 0 9 -29 -2.76 4.69 0 -9 -29 -0.72 4.15 0 9 30 -0.95 4.46 0 -9 -30 3.93 5.18 0 9 -30 2.01 4.59 0 -9 -30 5.44 4.10 0 9 -30 1.15 5.77 0 9 30 6.48 5.86 0 -9 30 -0.81 4.52 0 -9 -30 -0.73 4.15 0 9 -30 -1.88 4.26 0 9 31 7.75 4.54 0 -9 -31 12.06 5.68 0 -9 -31 7.43 4.44 0 9 -31 7.17 5.18 0 9 31 5.30 5.94 0 9 -31 10.53 5.01 0 -9 -31 -0.73 4.49 0 9 32 -0.99 5.18 0 -9 -32 10.22 5.85 0 9 -32 -2.09 5.27 0 -9 -32 -1.90 4.57 0 9 32 6.76 6.12 0 9 -32 -3.89 4.64 0 -9 -32 4.40 4.45 0 -9 33 11.68 6.50 0 -9 -33 7.26 5.42 0 9 -33 5.28 4.79 0 -9 -33 1.93 4.03 0 9 33 9.62 5.72 0 9 -33 0.98 5.10 0 10 0 791.83 37.88 0 -10 0 760.04 36.86 0 10 0 762.06 37.44 0 -10 0 798.67 37.60 0 10 0 762.84 37.09 0 -10 0 760.96 36.02 0 -10 0 746.31 37.13 0 10 1 61.08 5.27 0 10 -1 65.57 5.26 0 -10 1 61.52 4.47 0 -10 -1 63.77 4.38 0 -10 1 80.43 5.02 0 -10 -1 64.37 4.75 0 -10 1 57.62 4.86 0 -10 -1 53.72 4.84 0 10 -1 69.44 4.78 0 10 1 65.08 4.56 0 -10 -1 59.62 3.35 0 -10 1 62.94 3.81 0 10 1 63.14 4.95 0 10 -1 62.11 4.83 0 -10 -2 9.31 2.33 0 10 2 9.94 2.63 0 10 -2 14.76 3.15 0 -10 -2 11.20 1.97 0 -10 2 12.54 2.32 0 -10 -2 10.53 1.99 0 -10 2 9.50 2.52 0 10 -2 7.05 2.07 0 10 2 6.95 2.02 0 10 2 8.05 2.34 0 10 -2 13.15 2.52 0 -10 -3 226.47 12.35 0 10 3 233.87 12.66 0 10 -3 218.28 12.95 0 -10 3 222.55 12.08 0 -10 -3 221.24 11.77 0 -10 -3 232.92 12.01 0 -10 3 227.39 12.59 0 10 -3 214.71 12.29 0 10 3 237.85 11.98 0 10 -3 217.48 12.53 0 10 3 217.24 12.32 0 -10 -4 508.20 25.02 0 10 4 476.00 25.14 0 10 4 476.34 25.09 0 -10 -4 476.07 24.37 0 -10 4 510.73 24.85 0 -10 -4 499.33 24.64 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-13 2 0.39 1.40 0 -13 -2 0.48 2.96 0 13 -3 8.26 3.88 0 13 3 10.07 3.51 0 -13 -3 11.37 2.46 0 -13 3 12.55 2.98 0 13 3 5.35 3.05 0 13 -3 11.68 3.28 0 -13 3 5.75 3.04 0 -13 -3 7.39 3.02 0 13 3 9.68 2.60 0 -13 3 10.61 2.03 0 13 -3 8.34 2.92 0 -13 -3 6.92 2.98 0 13 4 114.80 8.38 0 13 -4 117.32 8.96 0 -13 4 117.15 7.86 0 -13 -4 115.86 7.30 0 -13 -4 118.96 8.26 0 -13 -4 118.01 8.36 0 -13 4 120.76 8.55 0 13 -4 129.09 8.42 0 13 4 123.01 7.56 0 -13 4 120.42 7.04 0 13 4 119.54 8.14 0 13 -4 118.63 8.48 0 -13 -5 12.45 3.22 0 13 5 7.96 3.08 0 13 -5 7.26 3.50 0 -13 -5 13.50 2.43 0 -13 5 13.34 3.29 0 -13 -5 5.65 2.47 0 -13 5 14.82 3.56 0 13 5 10.26 2.54 0 -13 5 6.99 2.21 0 13 -5 11.29 3.18 0 13 5 11.32 3.20 0 -13 -6 4.79 2.86 0 13 6 10.58 3.30 0 -13 -6 4.96 2.21 0 -13 6 3.28 3.20 0 -13 -6 3.82 2.52 0 -13 6 5.44 3.20 0 13 6 5.38 2.49 0 13 -6 5.07 3.05 0 13 6 3.81 2.88 0 -13 -7 149.10 9.51 0 13 7 139.62 9.32 0 13 7 140.84 9.53 0 -13 -7 137.68 8.28 0 -13 7 131.91 9.06 0 -13 -7 132.76 8.82 0 -13 7 154.77 9.83 0 13 -7 147.31 9.68 0 13 7 138.38 8.33 0 13 7 139.81 9.32 0 -13 -8 4.49 2.91 0 13 8 3.07 2.84 0 13 8 4.31 2.75 0 -13 8 -1.03 3.29 0 -13 -8 2.76 2.12 0 -13 -8 0.47 2.77 0 -13 8 3.18 3.27 0 13 -8 0.62 3.03 0 13 8 3.11 2.28 0 13 8 0.56 2.77 0 -13 -9 187.44 11.69 0 -13 -9 192.49 11.39 0 13 9 185.37 11.37 0 13 9 182.20 11.76 0 -13 -9 186.75 10.56 0 -13 9 190.37 11.55 0 13 -9 198.19 12.09 0 -13 9 180.62 11.96 0 13 9 185.82 11.63 0 13 9 186.44 10.55 0 -13 -10 4.73 3.27 0 -13 -10 -0.52 2.58 0 13 -10 9.06 4.05 0 13 10 5.06 2.99 0 13 10 6.29 2.92 0 -13 -10 -0.36 2.13 0 -13 10 2.86 3.47 0 13 10 3.53 2.84 0 -13 10 4.05 3.22 0 13 10 3.39 2.13 0 13 -10 -0.68 3.71 0 -13 10 4.64 2.82 0 -13 -11 131.48 9.38 0 -13 -11 133.61 9.10 0 13 -11 134.55 7.39 0 13 -11 148.95 10.63 0 13 11 142.64 9.56 0 13 11 137.31 8.99 0 -13 11 130.71 9.43 0 -13 11 134.88 9.78 0 13 -11 123.97 9.58 0 13 11 130.19 8.01 0 13 11 144.83 9.38 0 -13 11 119.53 8.52 0 -13 -12 29.73 4.39 0 13 12 26.25 3.89 0 13 12 31.69 4.49 0 13 -12 27.79 5.34 0 13 -12 30.29 2.77 0 -13 12 27.86 4.80 0 13 12 26.65 4.14 0 -13 12 29.70 4.62 0 13 -12 24.43 4.46 0 13 12 28.00 3.26 0 -13 12 27.36 3.95 0 -13 -13 0.60 3.18 0 13 -13 -0.22 1.67 0 13 13 0.51 2.88 0 13 13 2.03 3.29 0 13 -13 -0.89 4.16 0 -13 13 -1.33 3.91 0 13 13 2.55 2.98 0 -13 13 2.25 3.64 0 13 13 1.72 2.00 0 13 -13 3.86 3.97 0 -13 13 -1.44 2.93 0 13 -14 4.70 1.81 0 -13 -14 1.88 3.28 0 13 -14 1.83 4.14 0 13 14 3.03 2.67 0 13 14 1.39 3.31 0 -13 14 6.99 3.98 0 13 14 5.26 3.11 0 -13 14 7.73 4.05 0 13 -14 6.45 3.73 0 13 14 3.85 2.32 0 -13 14 4.90 2.89 0 -13 -15 79.89 7.14 0 13 -15 75.91 8.23 0 13 15 93.31 6.54 0 13 15 65.40 6.82 0 -13 15 82.75 7.50 0 13 15 79.07 6.22 0 13 -15 79.74 6.20 0 13 -15 79.84 7.60 0 -13 15 71.01 7.42 0 13 15 79.88 6.96 0 -13 15 84.17 6.66 0 13 15 76.22 5.53 0 -13 -16 5.58 4.03 0 -13 -16 8.89 3.93 0 13 -16 9.62 4.55 0 13 16 2.19 3.70 0 13 16 9.00 3.14 0 -13 16 7.67 4.28 0 13 16 2.10 3.35 0 13 16 7.65 2.88 0 13 -16 6.50 2.85 0 13 -16 16.62 4.84 0 -13 16 3.08 3.19 0 13 16 8.00 2.45 0 -13 -17 145.87 10.54 0 -13 -17 141.87 10.63 0 13 17 154.46 10.78 0 13 17 151.17 9.63 0 13 -17 163.52 11.88 0 -13 17 160.72 11.20 0 13 -17 152.54 9.44 0 13 17 142.46 9.45 0 13 -17 163.37 11.67 0 -13 17 164.47 10.03 0 13 17 135.02 8.83 0 -13 -18 1.48 3.78 0 13 18 1.55 3.46 0 13 18 3.95 3.12 0 -13 18 3.36 4.47 0 13 -18 -0.44 2.53 0 13 18 0.92 2.69 0 13 -18 1.88 4.49 0 -13 -18 8.06 4.39 0 -13 18 1.08 3.21 0 -13 -19 200.72 13.75 0 13 19 184.48 13.58 0 13 19 229.48 12.65 0 -13 19 209.13 14.43 0 13 -19 232.78 12.42 0 13 -19 198.90 14.66 0 -13 19 219.12 13.07 0 -13 -19 207.01 13.90 0 -13 -20 -0.77 4.01 0 -13 -20 -0.80 4.05 0 13 20 -2.43 3.44 0 13 20 -2.46 3.83 0 -13 20 -4.59 4.99 0 13 -20 0.83 2.58 0 13 -20 -3.03 4.81 0 -13 -20 -1.82 2.96 0 -13 20 -0.58 3.45 0 -13 -21 214.34 13.37 0 -13 21 171.40 13.37 0 13 21 175.87 12.82 0 13 -21 191.23 14.03 0 -13 -21 172.97 12.51 0 -13 21 195.53 12.03 0 -13 -22 6.88 4.23 0 -13 22 2.99 4.36 0 13 22 0.87 3.92 0 13 -22 -1.07 5.30 0 -13 -22 6.38 4.63 0 -13 22 1.23 3.75 0 -13 -23 107.53 9.31 0 13 23 79.44 8.65 0 13 -23 109.77 9.35 0 -13 -23 113.72 9.30 0 -13 23 98.64 8.18 0 -13 23 98.33 9.73 0 -13 -24 17.42 5.52 0 13 24 10.10 4.50 0 13 -24 17.68 5.05 0 -13 -24 27.22 5.54 0 -13 24 19.52 4.74 0 -13 24 19.32 5.81 0 13 25 18.86 5.08 0 -13 -25 11.33 5.44 0 -13 -25 23.45 5.75 0 13 -25 21.94 5.60 0 -13 25 20.00 6.01 0 13 26 -1.93 4.28 0 -13 26 -4.59 5.79 0 -13 -26 -1.94 5.62 0 -13 -26 0.85 4.88 0 13 -26 -0.98 4.41 0 13 27 48.21 7.10 0 13 27 57.23 7.38 0 -13 27 69.74 8.76 0 -13 -27 49.65 7.22 0 -13 -27 56.39 7.16 0 13 -27 63.77 7.84 0 13 28 18.09 5.31 0 -13 28 12.14 6.29 0 13 28 22.37 5.59 0 -13 -28 16.24 5.99 0 -13 -28 12.93 5.39 0 13 -28 23.35 6.10 0 13 29 -2.05 5.53 0 -13 29 6.22 5.94 0 13 29 7.92 5.05 0 13 -29 2.48 5.86 0 -13 -29 2.59 4.74 0 13 -29 3.09 4.82 0 -13 -29 14.48 6.09 0 -13 30 13.16 6.08 0 -13 -30 23.35 5.99 0 -13 -31 12.90 5.53 0 -14 0 30.50 3.81 0 14 0 40.71 4.74 0 -14 0 25.38 4.32 0 -14 0 36.66 2.28 0 14 0 35.79 4.17 0 14 0 38.37 5.11 0 14 -1 -2.86 3.41 0 14 1 0.68 3.50 0 -14 -1 1.50 2.34 0 -14 1 0.40 2.58 0 14 1 -0.60 2.86 0 14 -1 -0.62 2.72 0 -14 1 1.24 2.87 0 -14 -1 0.62 2.77 0 -14 1 0.29 1.27 0 14 1 5.89 2.80 0 14 -1 0.49 2.58 0 -14 -1 3.62 2.92 0 14 -2 7.32 3.46 0 14 2 8.65 3.27 0 -14 2 9.99 2.97 0 -14 -2 6.95 2.57 0 14 -2 17.62 3.83 0 14 2 11.27 3.52 0 -14 -2 13.05 3.26 0 -14 2 10.00 3.05 0 14 -2 14.80 3.25 0 -14 2 13.18 1.89 0 14 2 3.94 2.48 0 -14 -2 13.20 3.52 0 14 3 18.25 3.81 0 14 -3 17.26 4.30 0 -14 3 12.14 3.36 0 -14 -3 18.30 2.90 0 14 3 12.39 3.46 0 14 -3 16.05 3.85 0 -14 -3 19.94 3.74 0 -14 3 18.93 3.91 0 14 -3 10.63 3.16 0 -14 3 18.27 2.25 0 14 3 16.11 3.15 0 -14 -3 19.42 3.68 0 14 -4 65.40 6.41 0 14 4 44.73 5.12 0 -14 -4 47.03 4.16 0 -14 4 53.19 5.07 0 14 -4 42.42 5.15 0 14 4 43.17 4.98 0 -14 4 44.09 5.12 0 -14 -4 47.70 5.29 0 14 -4 42.17 4.78 0 14 4 41.15 4.22 0 -14 4 46.52 3.66 0 -14 -4 40.84 4.96 0 14 -5 348.62 18.96 0 14 5 319.58 17.88 0 -14 5 315.09 17.25 0 -14 -5 323.53 16.53 0 -14 -5 314.50 17.67 0 -14 5 323.92 18.08 0 -14 -5 324.43 17.96 0 14 -5 313.12 17.63 0 14 5 300.82 16.67 0 -14 5 307.48 16.20 0 14 5 307.82 17.61 0 -14 -6 8.09 3.65 0 14 -6 2.43 3.84 0 14 6 9.84 3.34 0 -14 6 9.96 3.71 0 -14 -6 6.66 2.35 0 -14 -6 9.49 3.01 0 -14 6 5.27 3.19 0 14 -6 4.23 3.10 0 14 6 11.38 2.76 0 -14 6 5.13 2.31 0 14 6 9.56 3.17 0 -14 -7 297.05 16.80 0 14 7 298.13 16.87 0 -14 -7 283.84 15.48 0 -14 7 297.57 16.50 0 -14 -7 289.89 16.13 0 -14 7 300.88 17.24 0 14 -7 290.03 16.86 0 -14 7 292.22 15.69 0 14 7 300.42 15.76 0 14 7 311.29 16.95 0 -14 -8 3.64 3.47 0 14 8 2.68 2.82 0 14 8 4.76 3.31 0 -14 -8 1.79 2.12 0 -14 8 3.28 3.54 0 -14 -8 -1.99 3.03 0 -14 8 -2.07 3.45 0 14 -8 6.58 3.84 0 14 8 3.40 2.35 0 14 8 5.52 3.36 0 -14 -9 4.35 3.56 0 14 9 0.59 3.06 0 14 9 -2.72 3.11 0 -14 -9 1.46 2.07 0 -14 9 0.57 3.39 0 -14 -9 -0.52 3.02 0 -14 9 2.83 3.37 0 14 9 1.87 2.18 0 14 -9 6.19 3.62 0 14 9 -1.25 2.92 0 -14 -10 7.02 3.68 0 14 10 12.70 3.58 0 14 10 18.00 4.20 0 -14 10 21.06 4.30 0 -14 -10 16.52 2.76 0 -14 -10 10.92 3.47 0 -14 10 15.28 4.32 0 14 -10 15.07 3.98 0 14 10 13.28 2.77 0 14 10 15.95 3.78 0 -14 10 5.98 3.10 0 -14 -11 4.58 3.28 0 -14 -11 2.29 3.10 0 14 11 7.04 3.40 0 14 -11 -0.91 4.21 0 14 11 7.43 3.19 0 14 -11 2.87 1.73 0 -14 -11 6.97 2.43 0 -14 11 5.68 3.81 0 -14 11 2.99 3.43 0 -14 11 1.99 2.86 0 14 11 7.83 3.42 0 14 11 7.31 2.39 0 14 -11 6.74 3.82 0 -14 -12 47.00 5.84 0 14 -12 55.54 3.97 0 -14 -12 63.51 5.93 0 14 12 68.88 6.44 0 14 -12 73.47 7.55 0 14 12 55.88 5.68 0 -14 12 58.24 6.27 0 -14 -12 54.55 4.77 0 14 12 57.42 5.78 0 -14 12 62.60 6.72 0 14 12 58.37 4.68 0 14 -12 46.08 6.50 0 -14 12 58.62 5.36 0 -14 -13 5.01 3.11 0 14 13 5.02 2.79 0 14 13 5.12 3.20 0 14 -13 2.85 4.54 0 -14 13 3.47 3.83 0 14 13 3.42 3.37 0 -14 13 1.60 4.07 0 14 13 1.83 2.24 0 14 -13 0.81 3.77 0 -14 13 10.13 3.35 0 -14 -14 -0.65 3.56 0 14 14 -3.74 3.31 0 14 14 1.11 2.96 0 14 -14 5.85 4.26 0 -14 14 3.64 4.04 0 14 14 -2.11 3.14 0 -14 14 0.82 3.59 0 14 -14 1.69 3.83 0 14 14 2.94 2.41 0 -14 14 -1.03 2.90 0 -14 -15 14.32 3.93 0 14 -15 9.98 4.92 0 14 15 10.71 3.85 0 14 15 7.65 3.28 0 -14 15 12.17 4.46 0 14 15 7.98 3.32 0 14 15 2.16 3.50 0 14 -15 9.32 3.16 0 -14 15 5.07 4.21 0 14 -15 3.52 4.35 0 -14 15 14.65 3.50 0 14 15 11.88 2.69 0 -14 -16 24.47 5.06 0 -14 -16 19.90 4.32 0 14 16 16.53 4.41 0 14 -16 16.35 5.35 0 14 16 11.93 3.35 0 -14 16 15.90 4.97 0 14 16 16.78 3.45 0 14 -16 16.82 3.38 0 14 16 15.58 4.10 0 14 -16 12.81 4.72 0 -14 16 20.82 4.09 0 14 16 12.03 2.83 0 -14 -17 285.43 16.97 0 -14 -17 261.78 16.65 0 14 17 280.73 15.75 0 14 -17 307.42 18.62 0 14 17 252.18 16.75 0 -14 17 259.91 17.04 0 14 17 296.00 15.79 0 14 -17 265.51 15.44 0 14 -17 298.41 17.93 0 14 17 276.17 16.74 0 -14 17 276.19 15.80 0 14 17 281.10 14.97 0 -14 -18 3.08 3.81 0 14 -18 -3.21 5.30 0 14 18 1.59 2.93 0 14 18 -2.48 4.09 0 -14 18 2.60 4.64 0 14 -18 4.39 3.14 0 14 18 2.52 3.07 0 14 -18 0.98 4.68 0 -14 -18 1.55 4.26 0 -14 18 2.23 3.24 0 -14 -19 169.96 12.03 0 14 19 157.67 10.47 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27 10.20 4.88 0 14 27 8.82 5.01 0 14 -27 6.13 4.98 0 -14 -27 8.03 5.26 0 -14 -27 11.11 5.47 0 -14 -28 -3.09 5.77 0 14 28 10.38 5.00 0 -14 28 2.45 5.96 0 -14 28 6.86 5.41 0 -14 -28 0.89 5.37 0 14 -28 8.29 5.19 0 14 28 3.98 5.03 0 -14 29 31.27 7.20 0 -14 29 36.21 7.53 0 -14 -29 39.34 6.68 0 -15 0 -0.83 2.58 0 15 0 -0.67 3.02 0 -15 0 2.03 3.10 0 15 0 -3.04 3.97 0 15 0 5.09 3.00 0 -15 1 5.99 2.88 0 -15 -1 4.00 2.65 0 15 1 15.80 3.78 0 15 -1 4.74 3.24 0 -15 1 4.07 2.83 0 -15 -1 4.73 3.54 0 15 -1 4.23 2.97 0 15 1 5.39 2.91 0 15 -1 -0.78 3.60 0 15 1 2.98 3.59 0 15 -2 229.22 14.40 0 15 2 198.11 13.70 0 -15 2 214.45 12.69 0 -15 -2 231.59 12.48 0 15 2 208.52 13.51 0 15 -2 252.91 14.26 0 15 -2 218.93 13.19 0 -15 2 234.82 13.95 0 -15 -2 210.88 13.65 0 -15 2 219.01 11.31 0 15 2 230.90 12.89 0 -15 -2 233.85 13.47 0 15 -3 144.96 10.80 0 15 3 151.88 10.53 0 -15 3 158.08 9.62 0 -15 -3 136.92 8.90 0 15 3 152.59 10.19 0 15 -3 154.28 10.49 0 -15 3 162.51 10.61 0 -15 -3 151.21 10.38 0 15 -3 141.22 9.84 0 15 3 137.37 9.26 0 -15 3 150.65 8.17 0 -15 -3 159.60 10.16 0 15 -4 8.33 4.27 0 15 4 23.07 4.29 0 -15 4 20.80 3.83 0 -15 -4 20.64 3.27 0 15 4 18.77 3.74 0 -15 -4 19.84 4.05 0 -15 4 25.06 4.11 0 -15 4 20.97 2.59 0 15 -4 14.30 3.62 0 15 4 19.20 3.33 0 -15 -4 22.68 4.11 0 15 -5 52.04 6.70 0 15 5 56.97 6.06 0 -15 -5 62.70 4.88 0 -15 5 62.49 5.76 0 15 5 50.05 5.75 0 -15 5 52.84 6.02 0 -15 -5 58.63 6.07 0 -15 5 57.58 4.35 0 15 5 61.31 5.15 0 15 -5 56.97 5.86 0 -15 -5 57.94 5.92 0 15 -6 59.32 7.11 0 15 6 70.15 6.42 0 -15 -6 57.24 4.82 0 -15 6 59.04 5.80 0 -15 -6 68.57 6.34 0 -15 6 54.37 6.18 0 -15 -6 75.26 6.53 0 15 -6 58.01 6.08 0 15 6 60.34 5.14 0 -15 6 56.09 4.59 0 15 6 62.67 6.14 0 -15 -7 77.10 6.55 0 15 7 55.68 5.98 0 15 -7 74.98 7.25 0 -15 -7 54.23 4.68 0 -15 7 52.83 5.80 0 -15 -7 66.46 5.82 0 -15 7 60.48 6.52 0 15 -7 59.11 6.15 0 15 7 61.61 5.17 0 -15 7 74.60 5.15 0 15 7 47.42 5.63 0 -15 -8 0.65 3.49 0 15 8 -0.65 3.05 0 -15 -8 2.96 2.30 0 -15 8 1.72 3.66 0 -15 -8 2.09 3.05 0 -15 8 -1.49 3.44 0 -15 8 -0.42 2.61 0 15 -8 -0.70 3.37 0 15 8 3.27 2.51 0 15 8 1.33 3.05 0 -15 -9 136.29 9.39 0 15 9 131.48 9.16 0 -15 -9 127.34 7.77 0 -15 9 129.46 9.17 0 -15 -9 110.82 8.40 0 -15 9 111.96 9.42 0 15 -9 126.67 9.52 0 -15 9 114.85 8.01 0 15 9 127.67 8.03 0 15 9 121.08 9.01 0 -15 -10 136.05 10.34 0 15 10 137.35 9.98 0 15 10 135.12 10.44 0 -15 -10 156.71 8.97 0 -15 10 173.14 10.71 0 -15 -10 160.52 10.02 0 -15 10 150.02 10.93 0 15 -10 147.08 10.67 0 -15 10 168.94 9.79 0 15 10 142.38 8.93 0 15 10 125.23 10.00 0 -15 10 140.15 9.58 0 -15 -11 -0.70 3.84 0 15 11 3.12 3.34 0 15 11 -0.76 3.18 0 -15 11 -0.66 3.75 0 -15 -11 -0.39 2.23 0 -15 -11 0.60 3.22 0 -15 11 -2.40 4.26 0 15 -11 7.89 3.91 0 15 11 0.39 2.42 0 -15 11 -0.53 3.05 0 15 11 -0.70 3.82 0 -15 -12 37.99 5.43 0 15 -12 64.38 7.05 0 15 12 34.42 4.91 0 15 12 43.56 5.53 0 -15 -12 36.23 3.97 0 -15 12 31.78 5.46 0 -15 -12 48.07 5.27 0 -15 12 32.17 5.58 0 15 -12 37.01 5.65 0 15 12 46.39 4.19 0 -15 12 36.05 4.71 0 15 12 32.28 5.05 0 -15 -13 2.20 3.91 0 -15 -13 14.34 3.67 0 15 13 3.96 3.31 0 15 13 12.75 3.66 0 15 -13 14.18 4.89 0 -15 -13 4.13 2.29 0 -15 13 8.66 4.31 0 -15 13 5.10 4.23 0 15 -13 8.54 4.32 0 15 13 5.04 2.35 0 -15 13 7.99 3.56 0 15 13 8.80 3.88 0 -15 -14 49.62 5.62 0 15 14 52.10 5.41 0 15 -14 52.84 7.25 0 15 14 33.86 5.53 0 -15 14 36.94 5.70 0 -15 -14 40.17 4.30 0 15 14 45.06 5.04 0 15 14 48.03 5.74 0 15 -14 41.73 4.93 0 -15 14 52.35 6.37 0 15 -14 55.86 6.90 0 15 14 42.62 4.20 0 -15 14 45.29 5.08 0 -15 -15 106.95 9.16 0 15 15 124.03 9.78 0 15 -15 111.24 10.43 0 15 15 121.92 8.78 0 -15 15 110.97 9.58 0 -15 -15 109.63 7.76 0 15 15 134.78 8.83 0 15 -15 133.15 8.75 0 15 -15 142.67 10.72 0 -15 15 110.86 10.05 0 15 15 121.76 7.77 0 15 15 125.27 9.53 0 -15 15 122.31 8.59 0 15 16 63.54 6.05 0 15 -16 87.68 8.66 0 15 16 77.52 7.48 0 -15 16 71.42 7.57 0 15 -16 76.63 6.31 0 15 16 50.37 6.38 0 15 16 60.50 5.88 0 15 -16 51.51 7.03 0 -15 16 55.97 5.86 0 -15 -16 65.56 6.84 0 -15 -17 7.65 4.06 0 15 17 14.40 3.66 0 15 17 10.32 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3.26 0 -18 -5 -1.50 3.71 0 18 6 31.60 5.27 0 -18 6 28.79 4.98 0 18 6 25.47 5.40 0 18 -6 25.51 5.84 0 -18 6 24.05 5.29 0 -18 -6 32.20 5.69 0 18 6 26.66 3.97 0 18 -6 33.44 5.16 0 -18 -6 23.66 5.36 0 18 7 14.17 4.40 0 -18 7 8.74 4.44 0 18 7 4.17 4.28 0 -18 -7 15.79 4.88 0 -18 7 14.43 4.75 0 18 7 11.48 3.43 0 18 -7 9.45 4.52 0 -18 -7 17.92 4.80 0 18 8 150.26 11.65 0 -18 8 163.61 11.19 0 18 8 168.42 11.98 0 18 -8 147.56 12.66 0 18 -8 165.62 11.75 0 -18 8 174.04 12.48 0 -18 -8 155.86 11.84 0 18 8 177.43 10.36 0 -18 -8 151.44 11.68 0 18 9 -1.69 4.27 0 18 -9 2.24 5.18 0 18 9 8.03 4.05 0 -18 9 -0.68 4.08 0 -18 9 -1.86 4.44 0 -18 -9 0.89 3.81 0 18 -9 -3.38 4.49 0 -18 -9 -4.04 5.14 0 18 -10 173.26 13.24 0 18 10 185.92 11.75 0 -18 10 152.04 10.97 0 18 -10 168.74 11.28 0 18 10 160.32 11.37 0 18 -10 141.71 11.57 0 -18 10 124.96 11.56 0 -18 -10 164.82 11.76 0 -18 -10 156.60 11.65 0 -18 10 152.90 10.55 0 18 10 137.59 11.29 0 -18 11 3.07 3.78 0 18 11 6.91 4.63 0 18 11 3.87 3.77 0 -18 11 2.20 4.19 0 18 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5 93.93 7.25 0 -19 6 37.67 5.51 0 19 -6 39.30 6.73 0 19 6 42.44 6.40 0 -19 -6 53.76 6.69 0 -19 6 64.56 7.47 0 19 -6 42.85 5.86 0 19 6 51.75 6.64 0 19 7 41.13 6.48 0 19 -7 44.50 7.36 0 19 7 54.97 6.81 0 -19 7 29.50 5.21 0 -19 7 42.24 6.63 0 -19 -7 39.24 6.12 0 19 -7 44.36 6.25 0 -19 -7 48.48 6.35 0 19 8 50.21 6.49 0 19 -8 44.18 6.89 0 19 8 46.94 6.34 0 -19 8 28.04 5.39 0 19 8 34.60 5.55 0 19 -8 39.15 5.85 0 -19 -8 47.07 6.45 0 -19 8 38.88 6.58 0 19 -8 41.65 6.37 0 -19 -8 60.32 7.12 0 19 9 22.57 5.48 0 19 -9 40.19 7.70 0 19 9 24.73 5.06 0 -19 9 26.38 4.95 0 19 -9 41.30 5.70 0 19 9 23.24 5.13 0 -19 9 20.70 5.46 0 -19 -9 26.60 5.50 0 19 -9 23.73 5.51 0 -19 -9 23.92 5.48 0 19 10 32.75 5.62 0 -19 10 34.19 5.14 0 19 10 20.89 5.09 0 19 -10 26.41 6.81 0 -19 10 28.11 5.53 0 19 10 28.71 5.47 0 19 -10 28.39 5.06 0 -19 10 34.01 6.25 0 -19 -10 22.08 5.31 0 19 -10 33.58 5.99 0 -19 -10 31.24 5.50 0 19 11 0.92 4.72 0 -19 11 5.73 3.77 0 19 11 -0.82 4.13 0 19 -11 -3.66 5.70 0 -19 11 14.23 4.95 0 19 -11 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5.67 0 19 17 17.72 4.99 0 19 18 15.96 5.40 0 -19 18 2.87 4.93 0 19 -18 5.53 3.73 0 19 -18 12.45 6.17 0 -19 -18 13.45 4.53 0 -19 -18 7.74 4.80 0 -19 -19 20.32 5.82 0 19 19 16.50 5.98 0 -19 19 10.85 5.65 0 -19 -19 15.97 5.71 0 19 -19 12.72 6.56 0 -19 -19 17.43 4.82 0 19 19 8.08 5.23 0 19 20 13.37 5.77 0 -19 20 19.27 5.85 0 -19 -20 5.44 5.31 0 19 -20 14.12 6.19 0 -19 -20 15.06 6.14 0 19 20 25.54 5.77 0 -19 21 10.42 5.73 0 -19 -21 6.50 5.22 0 19 -21 14.34 6.41 0 19 21 14.66 6.06 0 -19 -21 5.06 5.77 0 -19 -22 14.21 5.96 0 -19 22 24.57 6.58 0 20 0 49.06 7.63 0 20 0 48.31 7.14 0 20 0 50.55 6.29 0 -20 0 54.41 7.11 0 20 1 148.21 11.83 0 20 1 131.97 11.94 0 20 -1 158.64 12.41 0 -20 1 135.49 11.36 0 -20 -1 134.82 11.32 0 20 1 150.23 10.35 0 20 -1 147.72 10.62 0 20 2 -1.03 5.12 0 20 -2 9.95 5.70 0 20 2 7.78 4.85 0 20 2 15.80 4.03 0 20 -2 12.96 4.29 0 -20 2 8.80 5.09 0 -20 -2 16.48 4.88 0 -20 3 107.02 9.81 0 -20 -3 103.86 9.84 0 20 -3 102.75 8.95 0 20 3 117.89 9.98 0 20 3 131.25 10.48 0 20 -3 110.16 10.88 0 20 -4 2.28 5.52 0 20 4 9.91 5.41 0 -20 -4 18.49 5.06 0 -20 4 8.88 5.22 0 20 -4 7.75 4.14 0 20 4 8.61 4.30 0 20 4 11.53 5.09 0 20 -4 12.31 4.58 0 20 -5 49.88 7.93 0 20 5 39.87 6.94 0 20 -5 48.96 6.50 0 20 5 55.04 6.76 0 -20 5 61.74 7.37 0 -20 -5 33.18 6.48 0 20 5 44.09 6.79 0 20 -5 46.15 6.15 0 20 6 5.72 5.04 0 20 -6 4.71 5.40 0 -20 6 9.44 4.28 0 20 -6 5.99 4.80 0 20 6 5.15 4.19 0 -20 6 9.04 5.13 0 -20 -6 6.87 4.45 0 20 6 3.83 4.29 0 20 -6 8.23 4.88 0 20 7 30.87 5.75 0 20 -7 34.78 7.47 0 -20 7 31.41 5.39 0 20 -7 36.64 5.82 0 20 7 44.51 6.23 0 -20 -7 32.59 5.89 0 -20 7 43.69 6.61 0 20 7 42.11 6.18 0 20 -7 31.46 5.89 0 20 8 1.83 4.83 0 20 -8 -1.22 5.39 0 -20 8 1.36 4.63 0 20 8 2.56 4.15 0 20 -8 5.08 4.20 0 -20 8 5.13 5.04 0 -20 -8 -1.00 4.20 0 20 -8 4.39 4.51 0 20 8 1.92 4.19 0 20 9 38.47 6.64 0 -20 9 39.97 5.57 0 20 9 52.02 6.66 0 20 -9 48.20 8.20 0 -20 9 41.64 6.15 0 20 9 49.22 6.15 0 20 -9 48.01 6.34 0 -20 -9 54.24 7.29 0 -20 9 51.91 7.32 0 20 -9 42.62 6.75 0 -20 -9 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4.29 0 -20 15 1.13 5.59 0 20 -15 5.36 5.42 0 -20 -15 1.07 5.10 0 -20 -15 3.92 5.21 0 20 15 11.07 5.43 0 -20 16 33.31 5.95 0 -20 16 39.66 6.57 0 20 -16 29.80 5.34 0 20 16 32.86 5.99 0 20 -16 39.53 7.39 0 -20 -16 26.74 6.63 0 20 16 38.57 6.57 0 -20 17 3.72 4.65 0 20 17 2.30 4.10 0 20 -17 4.47 4.36 0 20 -17 4.49 5.51 0 20 17 2.05 4.79 0 -20 -17 -0.80 4.12 0 -20 18 3.83 4.92 0 20 -18 -1.45 4.00 0 20 18 2.07 4.79 0 -20 -18 2.34 4.50 0 20 -18 -1.15 5.83 0 20 -19 18.67 6.21 0 -20 19 20.67 6.08 0 20 19 17.76 5.79 0 20 -20 21.31 7.47 0 -20 20 20.20 6.06 0 -20 21 4.14 5.50 0 -21 0 -1.03 5.09 0 21 0 3.35 5.11 0 21 0 10.42 5.40 0 21 0 -0.91 4.56 0 21 1 3.65 4.40 0 21 1 1.10 4.87 0 21 -1 3.41 5.26 0 -21 -1 6.14 5.08 0 -21 1 6.17 4.71 0 21 1 14.56 5.26 0 21 -1 7.89 4.09 0 21 2 8.20 4.60 0 21 -2 1.16 5.30 0 21 2 -4.31 4.77 0 -21 2 3.09 4.67 0 -21 -2 -2.05 4.84 0 21 2 -1.04 4.94 0 21 -2 -0.74 4.13 0 21 -3 28.29 5.84 0 21 3 43.71 6.02 0 21 -3 19.99 6.44 0 21 3 23.28 6.25 0 -21 -3 29.71 6.10 0 -21 3 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120.00 8.13 -2 -12 14 106.03 7.74 -2 12 14 98.68 6.86 -2 12 14 87.34 6.71 -2 -12 14 86.96 8.10 -2 -12 14 94.33 5.95 -2 12 14 89.85 7.25 -2 -12 14 84.86 7.29 -2 -12 13 23.97 3.84 2 -12 -13 33.51 4.56 2 -12 -13 29.27 4.07 -2 12 13 27.45 3.22 2 12 -13 24.76 4.84 -2 12 13 25.10 4.23 -2 -12 13 31.10 4.07 -2 12 13 31.28 3.86 -2 12 13 36.74 4.42 -2 -12 13 42.80 5.34 -2 -12 13 24.39 2.95 -2 -12 13 21.68 4.01 -2 -12 12 3.52 2.77 2 -12 -12 2.36 3.06 2 -12 -12 4.52 2.93 -2 12 12 8.77 2.35 -2 12 12 8.17 3.27 2 12 -12 8.06 3.78 -2 -12 12 2.60 3.05 -2 12 12 6.82 2.98 -2 12 12 3.87 2.52 -2 -12 12 6.40 3.50 -2 -12 12 9.84 2.27 -2 -12 12 2.76 2.60 -2 -12 11 1.01 2.81 2 -12 -11 1.71 2.85 2 -12 -11 -0.47 2.76 -2 12 11 2.46 2.88 -2 12 11 1.76 2.15 2 12 -11 -0.79 3.56 -2 -12 11 0.48 2.77 -2 12 11 -0.49 2.48 -2 -12 11 -3.43 3.55 -2 12 11 0.55 2.48 -2 -12 11 -0.77 2.02 -2 12 11 0.92 1.24 -2 -12 11 -2.07 2.60 -2 -12 10 1.52 2.83 2 -12 -10 -1.65 3.08 2 -12 -10 -0.89 2.54 -2 12 10 -1.22 2.84 2 12 -10 0.77 3.74 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18 91.85 7.73 2 -15 -18 89.50 8.55 2 -15 -18 81.53 8.06 2 15 -18 101.27 9.93 -2 15 18 98.33 8.97 -2 -15 18 98.50 8.72 -2 -15 18 90.13 7.46 -2 15 18 107.56 7.76 -2 15 18 90.73 8.28 -2 -15 18 93.84 8.33 2 15 -18 99.95 9.81 -2 15 17 2.97 3.27 -2 -15 17 6.70 3.71 -2 15 17 5.18 3.40 2 -15 -17 4.90 4.25 2 -15 -17 5.68 4.22 2 15 -17 7.26 2.83 -2 15 17 11.53 4.84 2 15 -17 22.76 6.13 -2 -15 17 11.34 4.16 -2 15 17 8.28 3.29 -2 15 17 9.51 4.23 2 15 -17 14.30 5.12 -2 -15 17 5.32 3.85 -2 15 16 8.44 3.54 -2 15 16 15.80 3.96 -2 -15 16 15.48 4.13 2 -15 -16 7.96 4.23 2 -15 -16 8.16 3.76 -2 15 16 12.13 4.37 2 15 -16 10.16 2.92 2 15 -16 11.75 5.32 -2 -15 16 8.61 4.26 -2 15 16 15.03 3.97 -2 -15 16 7.70 4.75 -2 15 16 20.17 4.53 2 15 -16 26.73 5.61 -2 -15 16 5.06 3.45 -2 -15 15 87.30 7.42 -2 15 15 100.87 7.91 2 -15 -15 110.15 8.58 2 -15 -15 82.47 7.42 2 15 -15 97.40 6.73 2 15 -15 86.41 9.17 -2 -15 15 79.64 7.64 -2 15 15 95.96 7.40 -2 15 15 85.85 7.24 -2 -15 15 104.29 9.28 -2 15 15 100.29 8.23 2 15 -15 94.78 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12.66 -2 -15 7 186.11 10.77 2 -15 -6 20.39 4.14 2 -15 -6 18.21 3.28 -2 15 6 24.55 4.09 -2 -15 6 13.24 2.95 2 -15 -6 18.12 3.63 -2 15 6 21.53 3.78 2 -15 -6 15.47 3.86 -2 -15 6 13.00 4.15 -2 15 6 18.48 4.09 -2 15 6 20.02 2.63 2 15 -6 21.63 4.35 -2 -15 6 21.02 3.10 2 -15 -5 1.75 3.40 2 -15 -5 2.16 2.40 -2 15 5 6.65 3.37 2 -15 -5 -0.57 2.78 -2 -15 5 2.10 2.43 -2 15 5 5.07 3.05 -2 -15 5 8.29 4.10 2 -15 -5 1.91 3.07 -2 15 5 3.43 3.40 2 15 -5 5.60 3.54 -2 15 5 2.23 2.09 -2 -15 5 0.70 2.22 2 -15 -4 12.43 3.67 2 -15 -4 8.68 2.55 -2 15 4 10.64 3.90 2 -15 -4 11.35 3.39 -2 -15 4 7.38 2.61 -2 15 4 6.33 3.12 2 -15 -4 10.75 3.47 -2 -15 4 10.44 3.80 2 15 -4 10.20 3.92 -2 -15 4 12.82 2.33 -2 15 4 12.97 2.56 2 15 -4 9.26 3.82 2 15 -3 151.72 10.17 -2 15 3 160.85 10.37 -2 -15 3 158.38 8.51 2 -15 -3 140.64 9.72 -2 15 3 141.66 9.91 -2 15 3 144.90 8.50 2 -15 -3 130.45 9.72 2 15 -3 142.59 10.03 -2 -15 3 141.32 8.27 2 -15 -3 139.67 9.63 2 15 -2 65.56 6.42 2 15 -2 68.55 7.42 -2 15 2 70.01 6.51 2 -15 -2 64.00 6.11 -2 -15 2 65.36 4.79 -2 15 2 60.65 5.92 -2 15 2 77.16 5.28 2 -15 -2 70.43 6.24 2 15 -2 65.34 6.29 -2 -15 2 69.35 4.61 2 -15 -2 64.77 5.98 2 15 -1 -0.63 2.96 -2 15 1 2.06 3.25 2 15 -1 2.50 3.72 -2 -15 1 0.24 2.04 2 -15 -1 -2.33 3.20 -2 15 1 -0.63 2.95 2 -15 -1 1.24 2.94 2 15 -1 -1.27 2.99 -2 15 1 -1.13 2.78 2 -15 -1 -0.51 3.03 2 15 0 16.27 3.59 -2 -15 0 14.50 2.31 2 -15 0 16.00 3.68 2 15 0 16.42 4.68 -2 15 0 5.69 3.71 2 -15 0 19.30 3.88 -2 15 0 10.08 2.94 2 15 0 17.97 3.84 2 -15 0 11.99 3.56 2 15 1 131.54 9.09 2 -15 1 130.22 9.00 2 15 1 125.60 9.66 -2 15 -1 104.19 9.01 -2 15 -1 115.37 7.97 2 -15 1 128.11 9.00 2 15 1 130.10 8.92 2 -15 1 119.34 8.31 2 15 2 3.10 2.93 2 15 2 2.40 3.42 -2 15 -2 -0.76 3.35 2 -15 2 1.84 3.29 -2 15 -2 0.46 2.61 2 -15 2 1.26 2.94 2 15 2 0.60 3.02 2 -15 2 0.47 2.94 2 15 3 1.58 3.29 -2 15 -3 0.78 3.79 2 -15 3 1.26 3.29 -2 15 -3 -1.89 2.92 -2 15 -3 -0.49 2.85 2 -15 3 4.45 2.91 2 15 3 -0.59 2.83 2 15 3 -2.48 3.35 2 15 4 1.57 3.35 -2 15 -4 4.02 3.80 2 -15 4 5.15 3.48 -2 15 -4 3.78 3.07 -2 15 -4 8.79 3.20 2 -15 4 5.78 3.22 2 15 4 4.64 2.99 2 15 4 0.63 2.84 2 15 5 66.80 6.58 -2 15 -5 52.22 6.26 2 -15 5 47.01 5.74 -2 15 -5 54.61 5.54 -2 15 -5 44.34 4.98 2 -15 5 63.30 5.88 2 15 5 47.95 5.28 2 15 5 39.63 5.13 2 15 6 54.78 5.83 -2 15 -6 42.74 6.37 2 15 6 60.06 6.57 2 -15 6 70.23 6.59 -2 15 -6 57.61 5.78 -2 15 -6 54.87 5.51 2 -15 6 57.86 5.95 2 15 6 57.06 5.47 -2 -15 -6 62.53 6.07 2 15 7 10.99 3.42 2 15 7 10.70 4.22 -2 15 -7 17.64 4.52 2 -15 7 15.42 4.49 -2 15 -7 5.62 3.22 2 -15 7 5.44 3.59 -2 15 -7 9.13 3.55 2 15 7 16.25 3.46 -2 -15 -7 14.60 3.86 2 15 8 17.09 4.01 2 15 8 22.88 4.72 -2 15 -8 19.09 5.02 2 -15 8 28.33 5.25 -2 15 -8 18.65 3.94 2 -15 8 24.33 4.64 -2 15 -8 23.70 4.67 2 15 8 33.43 4.36 -2 -15 -8 20.51 4.54 2 15 9 316.70 19.62 2 15 9 341.38 20.19 2 15 9 363.16 20.10 -2 15 -9 404.52 21.87 2 -15 9 349.23 20.27 -2 15 -9 340.43 19.47 2 -15 9 386.81 20.39 -2 15 -9 383.01 20.08 2 15 9 347.45 19.27 -2 -15 -9 324.87 19.59 2 -15 10 91.59 7.61 2 15 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2.42 2.58 -5 12 -1 1.81 2.04 -5 -12 -1 1.83 2.97 5 -12 1 5.25 2.44 -5 12 -1 6.91 3.30 5 12 1 5.51 2.67 5 12 2 192.02 11.11 5 12 2 190.69 12.76 -5 -12 -2 198.09 12.63 -5 12 -2 186.27 11.87 5 -12 2 191.43 10.54 -5 12 -2 193.84 10.54 -5 -12 -2 193.63 11.93 -5 12 -2 169.99 11.83 -5 12 -2 195.84 12.44 -5 -12 -2 186.46 12.17 -5 -12 -2 165.18 12.00 -5 -12 -3 44.63 5.40 -5 -12 -3 39.57 5.17 -5 12 -3 46.12 5.46 5 12 3 39.66 4.32 5 12 3 26.26 5.05 -5 12 -3 37.81 4.90 -5 -12 -3 43.29 5.58 -5 12 -3 44.28 4.05 -5 -12 -3 29.96 4.62 5 12 3 58.30 5.61 -5 12 -3 26.86 4.71 -5 12 -4 63.54 5.02 -5 12 -4 55.56 6.05 -5 -12 -4 69.71 6.78 -5 12 -4 72.94 6.26 5 12 4 62.36 5.39 -5 -12 -4 70.21 6.22 5 12 4 55.65 6.20 -5 -12 -4 62.91 6.48 -5 12 -4 66.46 6.51 -5 -12 -4 58.58 6.24 -5 12 -5 32.54 3.91 -5 12 -5 48.21 5.18 -5 12 -5 36.34 4.88 -5 -12 -5 45.88 5.64 5 12 5 34.44 4.13 -5 -12 -5 35.45 4.70 5 12 5 29.96 4.58 -5 -12 -5 45.76 5.42 -5 12 -5 38.25 5.08 -5 -12 -5 29.94 5.08 -5 12 -6 216.16 12.40 5 12 6 211.91 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5.57 3.89 -6 13 8 5.39 3.77 6 -13 -7 1.74 3.17 -6 13 7 7.18 3.85 -6 13 7 4.62 3.75 6 13 -7 3.76 4.06 6 -13 -7 -3.59 4.33 -6 13 7 -0.75 3.69 -6 -13 7 -0.88 4.10 -6 -13 7 -0.73 3.60 -6 -13 7 10.98 4.20 -6 -13 7 1.62 3.86 -6 -13 7 2.18 3.44 6 13 -7 4.44 3.97 6 -13 -6 -0.55 3.43 -6 13 6 -0.77 4.03 6 13 -6 0.93 4.12 6 -13 -6 0.89 3.93 -6 -13 6 2.16 3.85 6 13 -6 -1.75 4.29 -6 -13 6 0.71 3.38 -6 13 6 1.50 3.90 -6 -13 6 0.78 4.17 -6 -13 6 15.37 4.43 6 -13 -5 170.89 10.73 6 13 -5 160.97 12.22 -6 13 5 158.00 11.46 -6 13 5 168.30 11.85 -6 -13 5 176.69 11.65 -6 -13 5 165.11 11.44 6 13 -5 166.45 12.07 -6 -13 5 172.35 11.90 -6 -13 5 181.89 12.23 6 -13 -4 1.00 3.09 6 13 -4 3.68 4.12 -6 13 4 3.76 3.77 -6 -13 4 -0.87 4.52 -6 13 4 3.86 3.83 -6 -13 4 9.05 4.12 6 13 -4 1.71 3.55 -6 -13 4 4.72 3.43 -6 -13 4 3.24 4.12 -6 -13 4 3.14 3.89 6 -13 -3 48.72 4.88 6 13 -3 42.21 6.05 -6 13 3 45.90 5.73 -6 -13 3 53.10 6.64 -6 13 3 42.26 6.02 -6 13 3 38.63 5.60 -6 -13 3 47.45 5.61 6 13 -3 47.86 6.15 -6 -13 3 58.71 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5.62 -8 6 -1 45.00 5.88 8 6 1 45.28 5.53 -8 6 -2 4.24 2.36 8 -6 2 3.04 4.14 8 6 2 0.71 3.28 8 -6 2 3.84 4.05 -8 -6 -2 8.68 3.84 -8 -6 -2 3.18 3.68 -8 6 -2 2.22 3.56 -8 6 -2 2.17 3.35 8 6 2 1.41 3.39 8 -6 3 6.99 4.16 8 6 3 1.44 3.26 8 -6 3 0.77 3.64 -8 -6 -3 0.79 3.83 -8 -6 -3 -1.59 3.55 -8 6 -3 2.71 2.26 -8 6 -3 0.74 3.44 -8 6 -3 2.88 3.70 8 -6 4 11.13 4.56 8 6 4 14.67 4.24 8 -6 4 6.21 3.97 -8 -6 -4 9.43 4.26 -8 -6 -4 1.58 3.63 -8 6 -4 7.20 2.73 -8 6 -4 8.79 3.75 -8 6 -4 7.88 3.47 8 -6 5 106.79 9.10 8 6 5 91.94 8.19 8 -6 5 86.72 8.28 -8 -6 -5 118.97 8.89 -8 -6 -5 87.20 8.40 -8 6 -5 84.52 6.91 -8 6 -5 99.00 8.13 -8 6 -5 115.06 8.56 8 -6 6 8.35 4.81 8 6 6 16.10 4.15 8 -6 6 18.92 4.94 -8 -6 -6 17.14 4.83 -8 -6 -6 17.18 4.60 -8 -6 -6 23.08 4.32 -8 6 -6 19.91 3.55 -8 6 -6 15.19 4.44 -8 6 -6 16.26 4.31 8 -6 7 1.71 4.69 8 6 7 3.13 3.77 8 -6 7 0.80 4.23 -8 -6 -7 -3.10 3.88 -8 -6 -7 7.76 4.09 -8 -6 -7 -1.48 3.41 -8 6 -7 -0.57 3.13 -8 6 -7 3.59 3.81 -8 6 -7 2.80 3.99 8 -6 8 220.58 14.42 8 6 8 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5.58 -8 -6 -13 35.02 5.40 -8 6 -13 29.83 5.28 -8 6 -13 44.78 5.52 -8 6 -13 57.06 5.92 8 6 14 15.58 4.86 8 -6 14 17.04 5.86 -8 6 -14 6.98 3.99 -8 -6 -14 11.95 4.44 8 -6 14 13.42 5.77 8 6 14 20.93 5.29 -8 6 -14 15.64 4.26 -8 6 -14 7.15 3.71 8 6 15 4.69 4.15 8 -6 15 10.04 5.51 -8 6 -15 4.02 4.28 -8 -6 -15 4.79 4.09 8 -6 15 -1.06 6.29 8 6 15 12.73 5.14 -8 6 -15 4.44 3.51 8 6 16 25.84 5.43 8 -6 16 34.29 6.94 -8 6 -16 39.94 6.06 -8 -6 -16 33.30 5.71 -8 -6 -16 43.92 5.70 -8 6 -16 25.32 4.75 8 -6 16 49.26 7.79 8 6 16 28.58 6.64 8 -6 17 2.83 5.59 8 -6 17 1.12 5.67 8 6 17 -0.99 5.86 -8 6 -17 12.03 4.42 -8 -6 -17 8.27 4.47 8 -6 18 96.81 9.54 8 -6 18 86.34 10.26 8 6 18 73.16 8.96 -8 6 -18 90.33 8.64 -8 -6 -18 93.54 8.98 8 -6 19 0.97 5.65 8 -6 19 -7.07 6.21 8 6 19 1.06 5.33 -8 6 -19 1.82 4.34 -8 -6 -19 0.95 4.58 -8 6 -20 6.54 4.73 -8 -6 -20 9.65 5.14 8 6 20 4.11 5.20 8 -6 20 8.88 5.85 8 -6 20 4.82 5.81 8 6 20 5.52 5.22 -8 6 -21 87.94 9.02 -8 -6 -21 84.13 8.97 8 -6 21 106.84 11.19 8 6 21 65.73 9.28 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5.26 -8 -7 19 34.66 5.51 -8 7 19 32.52 5.69 8 7 -19 40.55 6.29 8 -7 -19 26.42 5.78 8 -7 -19 35.27 5.71 -8 -7 18 43.83 5.95 -8 7 18 35.31 5.33 -8 7 18 38.59 5.52 -8 -7 18 41.38 6.05 -8 7 18 43.03 6.00 8 7 -18 44.23 6.42 8 -7 -18 52.15 6.38 8 -7 -18 36.11 5.64 8 -7 -17 11.25 4.34 8 -7 -17 13.48 4.18 -8 -7 17 11.47 4.29 8 7 -17 12.75 4.76 -8 -7 17 21.31 4.82 -8 7 17 9.04 4.26 8 7 -17 9.21 4.41 -8 7 17 13.61 4.17 -8 7 17 9.96 4.05 8 -7 -16 7.01 3.98 8 -7 -16 5.44 3.74 -8 -7 16 5.41 4.22 8 7 -16 10.80 4.21 -8 -7 16 3.98 4.54 -8 -7 16 5.37 4.93 -8 7 16 4.90 3.83 8 7 -16 9.10 4.15 -8 7 16 15.96 4.25 -8 7 16 7.92 3.78 8 -7 -15 5.86 3.46 8 -7 -15 1.51 3.67 -8 -7 15 -2.34 4.59 8 7 -15 1.63 3.84 -8 -7 15 5.62 4.09 -8 -7 15 2.11 4.21 -8 7 15 0.81 3.72 8 7 -15 -0.82 4.26 -8 7 15 5.13 3.57 -8 7 15 0.73 3.67 8 -7 -14 40.55 5.40 8 -7 -14 37.85 5.62 -8 -7 14 51.84 6.43 8 7 -14 43.04 5.88 -8 -7 14 63.06 6.75 -8 -7 14 40.51 6.77 8 7 -14 47.43 6.22 -8 7 14 48.76 6.09 -8 7 14 49.13 5.99 8 -7 -13 41.71 5.42 8 -7 -13 63.92 6.55 -8 -7 13 63.22 6.83 8 7 -13 45.36 5.78 -8 -7 13 47.96 6.53 -8 -7 13 65.42 7.56 8 7 -13 70.68 7.05 -8 7 13 54.35 6.17 -8 7 13 53.19 6.19 8 -7 -12 68.77 5.99 8 -7 -12 59.50 6.31 -8 -7 12 56.36 6.55 8 7 -12 54.63 6.33 -8 -7 12 43.24 6.24 -8 -7 12 48.28 7.17 8 7 -12 56.54 6.62 -8 7 12 56.84 6.43 -8 7 12 59.44 6.40 8 -7 -11 2.17 2.93 8 -7 -11 3.90 3.62 8 7 -11 4.86 3.61 -8 -7 11 7.16 4.20 -8 -7 11 10.66 3.96 -8 7 11 0.75 3.87 -8 7 11 8.97 4.19 8 7 -11 7.00 4.24 -8 -7 11 -0.99 4.34 8 -7 -10 96.12 7.89 8 -7 -10 111.24 7.53 8 7 -10 102.56 8.42 8 -7 -10 88.98 8.79 -8 -7 10 110.94 9.00 -8 -7 10 93.69 8.56 8 7 -10 86.28 8.28 -8 -7 10 101.54 9.45 -8 7 10 133.53 9.32 -8 7 10 80.88 8.12 8 -7 -9 45.39 4.78 8 -7 -9 40.69 5.05 8 7 -9 36.36 5.38 8 -7 -9 52.80 6.57 -8 -7 9 51.22 6.20 -8 -7 9 46.12 6.21 8 7 -9 51.10 6.16 -8 -7 9 40.40 6.26 -8 7 9 54.51 6.02 -8 7 9 56.46 6.34 8 -7 -8 4.17 2.56 8 -7 -8 -1.72 2.96 8 7 -8 0.70 3.36 8 -7 -8 -0.89 4.37 -8 -7 8 -0.80 4.11 -8 -7 8 0.82 4.13 8 7 -8 4.54 3.75 -8 -7 8 0.95 3.79 -8 7 8 -3.78 3.64 -8 7 8 0.76 3.40 8 7 -7 1.41 3.52 8 -7 -7 3.50 4.17 8 -7 -7 -2.72 3.27 -8 -7 7 0.80 3.79 -8 7 7 -0.76 3.33 8 7 -7 0.75 3.50 -8 -7 7 4.69 4.00 8 7 -6 216.46 13.35 8 -7 -6 217.70 14.02 8 -7 -6 200.96 12.29 -8 -7 6 231.30 14.27 -8 7 6 187.61 13.33 -8 -7 6 209.05 14.17 8 7 -6 190.95 13.18 8 -7 -5 2.45 2.79 8 7 -5 -0.71 3.68 8 -7 -5 1.69 3.83 -8 -7 5 4.82 3.84 -8 7 5 2.29 3.99 8 7 -5 5.15 3.65 -8 -7 5 3.68 3.73 8 -7 -4 26.79 3.64 8 7 -4 21.28 4.37 8 -7 -4 23.38 4.62 -8 -7 4 20.11 4.78 -8 -7 4 23.89 4.82 -8 7 4 24.92 4.81 -8 7 4 19.79 4.23 8 7 -4 15.31 4.32 -8 -7 4 21.94 5.30 8 7 -3 4.36 3.47 8 -7 -3 2.16 2.34 8 7 -3 4.29 3.70 8 -7 -3 -0.82 3.80 -8 -7 3 -0.80 3.95 -8 -7 3 2.47 4.12 8 -7 -3 0.76 3.87 -8 7 3 0.75 3.71 -8 7 3 8.37 4.04 8 7 -2 23.79 4.73 8 -7 -2 28.54 5.00 8 -7 -2 36.81 5.44 -8 -7 2 40.34 5.76 8 7 -2 32.61 4.98 -8 7 2 41.48 5.69 -8 7 1 282.92 15.39 8 7 -1 300.29 17.49 8 -7 -1 301.59 18.05 8 -7 -1 293.85 17.79 -8 -7 1 329.92 18.42 8 7 -1 273.75 17.26 -8 7 1 315.40 17.90 -8 7 0 8.07 2.51 8 -7 0 11.76 4.68 8 7 0 8.05 3.74 8 -7 0 14.58 4.65 -8 -7 0 17.22 4.83 -8 7 0 20.28 4.77 -8 7 0 22.92 4.54 8 7 0 18.92 4.35 -8 7 -1 -0.76 2.30 8 -7 1 -0.79 4.22 8 7 1 4.44 3.94 8 -7 1 4.86 3.79 -8 -7 -1 -0.81 3.49 -8 -7 -1 2.46 3.66 -8 7 -1 3.74 3.78 -8 7 -1 4.57 3.60 8 7 1 3.66 3.53 -8 7 -2 91.62 6.43 8 -7 2 86.36 8.24 8 7 2 74.29 7.57 8 -7 2 94.96 8.31 -8 -7 -2 101.67 8.69 -8 -7 -2 93.13 8.24 -8 7 -2 91.73 8.12 -8 7 -2 79.72 7.79 8 7 2 96.56 7.98 -8 7 -3 3.97 2.63 8 -7 3 5.76 4.48 8 7 3 6.85 3.61 8 -7 3 8.16 4.21 -8 -7 -3 7.26 4.66 -8 -7 -3 10.59 4.54 -8 7 -3 9.09 4.04 -8 7 -3 11.88 4.17 8 7 3 7.44 3.94 8 -7 4 85.52 8.23 8 7 4 57.09 6.86 8 -7 4 68.92 7.53 -8 -7 -4 94.91 8.03 -8 -7 -4 64.02 7.40 -8 7 -4 77.58 7.44 -8 7 -4 84.39 7.60 -8 7 -4 81.39 6.07 8 -7 5 -0.86 4.40 8 7 5 0.78 3.59 8 -7 5 3.31 4.32 -8 -7 -5 -4.01 4.33 -8 -7 -5 -2.42 4.25 -8 7 -5 5.24 3.57 -8 7 -5 2.94 3.80 -8 7 -5 -0.50 2.57 8 -7 6 216.42 14.64 8 7 6 193.92 13.53 8 -7 6 194.39 13.96 -8 -7 -6 206.22 13.91 -8 -7 -6 246.89 14.47 -8 7 -6 190.38 13.39 -8 7 -6 218.37 13.68 -8 7 -6 207.59 12.58 8 -7 7 -1.79 4.60 8 7 7 0.82 3.61 8 -7 7 -1.69 4.76 -8 -7 -7 -1.59 4.19 -8 -7 -7 -0.80 4.20 -8 7 -7 0.74 3.63 -8 7 -7 3.61 3.96 -8 7 -7 0.56 2.91 8 -7 8 6.42 4.97 8 7 8 10.01 4.12 8 -7 8 5.13 4.64 -8 -7 -8 16.56 4.93 -8 -7 -8 19.71 4.81 -8 7 -8 5.86 3.76 -8 7 -8 7.88 4.04 -8 -7 -8 7.77 3.58 -8 7 -8 15.99 3.82 8 -7 9 -0.94 5.30 8 7 9 -0.85 3.44 8 -7 9 3.47 4.83 -8 -7 -9 0.78 4.12 -8 -7 -9 -0.78 3.80 -8 7 -9 -0.72 3.46 -8 7 -9 0.71 3.67 -8 7 -9 4.35 3.43 8 -7 10 58.60 7.32 8 7 10 70.38 7.43 8 -7 10 57.18 7.63 -8 -7 -10 66.50 7.14 -8 -7 -10 44.70 6.34 -8 7 -10 65.10 6.47 -8 7 -10 57.96 6.29 -8 7 -10 56.74 5.99 8 -7 11 1.97 5.20 8 7 11 9.00 4.47 8 7 11 8.85 4.31 8 -7 11 6.27 4.84 -8 -7 -11 4.58 4.22 -8 -7 -11 3.04 4.10 -8 7 -11 6.34 3.69 -8 7 -11 -1.38 3.57 -8 7 -11 4.09 3.48 8 7 12 120.77 9.33 8 -7 12 78.72 9.14 8 7 12 94.06 8.98 8 -7 12 107.41 9.69 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-11 -6 9 -2.18 6.78 -11 6 8 39.79 6.65 -11 -6 8 32.70 6.84 11 -6 -8 39.48 6.62 -11 6 7 5.12 5.08 11 -6 -7 4.09 5.17 -11 -6 7 -2.18 5.16 11 -6 -6 57.67 7.87 -11 6 6 66.65 8.03 -11 -6 6 56.02 8.40 -11 -6 6 44.87 7.88 11 6 -6 51.91 7.28 11 -6 -5 19.01 5.92 -11 6 5 7.97 5.54 -11 6 5 18.46 5.62 -11 -6 5 15.69 6.27 -11 -6 5 20.81 5.95 11 6 -5 9.72 5.51 -11 -6 4 12.32 6.21 -11 6 4 7.96 5.36 11 6 -4 15.08 5.48 11 -6 -4 12.87 5.45 -11 -6 3 1.12 5.39 -11 6 3 0.99 4.69 11 6 -3 1.77 4.56 11 -6 -3 4.89 5.28 11 -6 -2 6.79 4.98 -11 6 2 0.99 4.68 -11 -6 2 3.35 5.17 11 6 -2 1.78 4.42 11 6 -2 2.63 4.62 11 6 -1 34.64 6.28 11 -6 -1 25.00 6.22 -11 6 1 37.47 6.74 -11 6 1 27.60 6.66 -11 -6 1 32.29 6.79 -11 -6 1 38.34 6.76 11 6 -1 25.04 5.84 11 6 0 9.91 5.00 11 -6 0 20.04 5.85 -11 6 0 19.61 5.71 -11 6 0 23.39 6.56 -11 -6 0 14.41 5.80 -11 -6 0 17.52 6.14 11 6 0 20.67 5.58 11 6 1 3.66 4.55 11 -6 1 6.63 5.09 -11 -6 -1 11.03 6.01 11 6 1 12.67 5.05 -11 -6 -1 10.90 5.99 -11 6 -1 12.66 5.93 -11 6 -1 9.11 5.17 -11 6 -2 21.27 5.71 -11 6 -2 8.04 5.10 -11 -6 -2 14.27 6.09 11 6 2 14.83 5.15 -11 -6 -2 11.92 6.01 11 6 2 4.56 4.87 -11 6 -3 14.37 5.14 -11 6 -3 4.98 4.90 -11 -6 -3 2.18 5.88 11 6 3 5.64 4.36 -11 -6 -3 3.23 5.44 11 6 3 7.35 4.65 -11 6 -4 39.79 6.82 -11 6 -4 53.31 7.59 -11 -6 -4 43.22 7.59 11 6 4 47.95 6.99 -11 -6 -4 32.10 6.99 11 6 4 45.46 7.06 -11 6 -5 23.45 5.67 -11 6 -5 22.42 5.96 -11 -6 -5 12.82 6.19 11 6 5 22.36 5.80 -11 -6 -5 34.93 7.03 11 6 5 14.99 5.49 -11 6 -6 53.62 7.52 -11 6 -6 63.66 8.13 11 6 6 55.17 7.62 -11 -6 -6 36.64 7.23 11 6 6 48.21 7.35 -11 -6 -7 -2.08 5.61 11 -6 7 -4.03 5.77 -11 6 -7 9.49 5.54 -11 -7 14 1.09 5.47 -11 7 14 -2.96 5.66 11 -7 -14 7.06 5.73 11 -7 -13 -1.16 5.42 -11 7 13 0.98 5.10 -11 7 13 3.99 4.95 -11 -7 13 1.10 5.32 -11 -7 13 -3.21 5.69 11 7 -13 1.94 5.12 11 7 -12 3.84 4.85 11 -7 -12 1.14 5.62 -11 7 12 2.96 5.11 -11 7 12 5.04 4.95 -11 -7 12 3.33 5.19 -11 -7 12 -1.08 5.44 -11 -7 12 -2.69 6.29 11 -7 -11 10.13 5.87 -11 7 11 19.80 5.79 -11 7 11 26.36 5.77 -11 -7 11 33.50 7.02 11 7 -11 21.82 5.77 -11 -7 11 21.69 6.50 11 -7 -10 16.61 6.22 -11 7 10 25.91 6.30 -11 7 10 17.36 5.87 -11 -7 10 28.06 7.12 11 7 -10 13.14 5.30 -11 -7 10 19.63 6.35 -11 -7 9 24.80 6.50 11 -7 -9 16.36 5.93 -11 -7 9 4.38 5.87 -11 7 9 23.04 6.05 -11 7 9 16.43 5.42 11 -7 -8 90.37 10.03 -11 -7 8 101.15 10.28 11 7 -8 113.12 9.85 -11 7 8 111.38 10.36 11 -7 -7 15.95 5.86 -11 7 7 9.31 5.26 -11 -7 7 18.75 5.98 11 7 -7 10.14 5.46 11 -7 -6 -7.37 5.86 -11 7 6 3.11 4.90 -11 -7 6 9.02 5.89 -11 -7 6 -3.31 6.01 11 7 -6 1.85 5.00 11 -7 -5 3.13 5.89 -11 7 5 3.01 4.85 -11 7 5 11.41 5.06 -11 -7 5 2.26 5.45 -11 -7 5 5.53 5.54 11 7 -5 17.64 5.47 -11 -7 4 3.38 5.75 -11 7 4 2.01 5.12 11 7 -4 9.27 4.85 11 -7 -4 6.19 5.26 -11 -7 3 27.03 6.99 -11 7 3 22.04 6.13 11 7 -3 26.01 5.90 11 -7 -3 30.67 6.25 11 -7 -2 13.18 5.21 -11 7 2 5.00 5.36 -11 -7 2 2.25 5.73 11 7 -2 -1.86 4.95 11 7 -2 4.57 4.90 11 7 -1 9.26 5.15 11 -7 -1 1.01 5.30 -11 7 1 1.00 5.16 -11 7 1 4.13 5.08 -11 -7 1 3.36 5.66 -11 -7 1 1.11 5.73 11 7 -1 4.67 5.04 11 7 0 26.23 5.57 11 -7 0 16.99 5.90 -11 7 0 24.75 6.07 -11 7 0 14.39 5.44 -11 -7 0 11.16 5.79 -11 -7 0 16.52 6.53 11 7 0 17.78 5.39 11 7 1 18.12 5.60 11 -7 1 11.91 5.71 -11 7 -1 12.78 5.30 -11 7 -1 8.17 5.19 -11 -7 -1 15.53 6.11 -11 -7 -1 6.57 5.66 11 7 1 15.03 5.52 11 7 2 26.07 5.70 11 -7 2 21.73 6.16 -11 7 -2 13.66 5.49 -11 7 -2 21.32 5.95 -11 -7 -2 16.56 6.00 -11 -7 -2 33.77 6.89 11 7 2 29.28 5.97 11 7 3 22.48 6.09 11 -7 3 34.39 7.09 11 7 3 32.31 6.14 -11 -7 -3 30.66 7.11 -11 -7 -3 29.18 6.90 -11 7 -3 30.03 6.52 -11 7 -3 33.18 6.76 11 7 4 42.51 6.96 11 -7 4 36.20 7.20 11 -7 4 37.36 7.47 -11 7 -4 30.65 6.34 -11 7 -4 37.80 6.90 11 7 4 26.80 6.20 -11 -7 -4 36.85 7.27 -11 -7 -5 22.55 6.88 -11 7 -5 32.46 6.46 11 -7 5 29.07 7.12 11 -7 6 13.30 6.65 -11 8 12 5.09 5.24 11 -8 -12 10.59 6.51 -11 -8 11 -3.38 5.79 -11 8 11 -1.02 4.94 11 -8 -11 1.16 5.42 11 -8 -10 2.28 5.23 -11 8 10 3.02 5.49 -11 8 10 1.03 4.93 -11 -8 10 10.20 6.02 -11 -8 10 13.21 5.85 11 8 -10 9.63 5.56 11 -8 -9 13.53 5.61 -11 8 9 1.01 5.53 -11 8 9 7.26 5.35 -11 -8 9 21.61 6.25 -11 -8 9 17.69 6.39 11 8 -9 4.81 5.25 11 -8 -8 4.45 5.41 -11 -8 8 3.33 5.60 11 8 -8 -1.93 5.04 -11 8 8 -6.25 4.87 11 -8 -7 -1.10 5.66 -11 8 7 -1.05 5.19 -11 -8 7 1.11 5.52 11 8 -7 3.87 5.09 -11 8 6 7.34 5.28 -11 -8 6 12.52 5.73 -11 -8 6 17.84 5.96 11 8 -6 6.78 5.15 11 -8 -5 17.31 5.57 -11 8 5 4.07 5.20 -11 8 5 14.64 5.70 -11 -8 5 9.11 5.66 -11 -8 5 1.12 5.60 11 8 -5 7.75 5.20 -11 -8 4 3.41 5.43 -11 8 4 -2.04 5.23 11 8 -4 2.91 4.98 11 -8 -4 3.22 5.41 11 -8 -3 -1.06 5.37 -11 8 3 5.08 5.17 -11 -8 3 -3.41 6.09 11 8 -3 0.95 5.08 11 8 -3 0.97 4.63 11 -8 -2 5.27 5.70 -11 8 2 2.03 5.17 -11 -8 2 11.34 6.36 11 8 -2 4.85 4.95 11 8 -2 7.67 5.14 11 8 -1 67.85 8.02 11 -8 -1 70.26 8.74 -11 8 1 55.41 8.07 -11 8 1 85.67 8.96 -11 -8 1 48.59 8.07 -11 -8 1 50.16 8.32 11 8 -1 75.72 8.57 11 8 0 7.83 5.38 11 -8 0 16.67 5.68 -11 8 0 9.02 5.71 -11 8 0 6.24 5.36 -11 -8 0 20.24 6.54 -11 -8 0 10.00 6.37 11 8 0 1.94 5.23 11 -8 1 1.04 5.59 11 8 1 -5.93 5.25 -11 -8 -1 1.12 6.26 11 8 1 10.71 5.09 -11 8 -1 2.98 5.37 -11 8 -1 1.03 5.12 11 -8 2 5.93 5.97 11 -8 2 2.06 6.37 11 8 2 -2.00 5.56 -11 -8 -2 5.55 5.61 11 8 2 11.71 5.10 -11 8 -2 2.05 5.00 11 -8 3 13.08 6.39 11 8 3 8.07 5.51 11 -8 3 12.31 6.44 11 -8 4 -5.12 6.14 11 -8 4 2.04 5.73 11 9 -11 48.98 7.43 11 9 -10 2.00 5.19 11 9 -9 8.03 5.92 11 9 -8 -1.01 5.48 11 -9 -8 -4.59 5.58 11 9 -7 2.01 5.22 11 -9 -7 -1.14 5.53 11 9 -6 7.06 5.14 11 -9 -6 -1.13 5.80 11 9 -5 4.04 5.63 11 -9 -5 12.30 5.85 11 9 -4 3.03 4.96 11 9 -4 -4.89 5.45 11 -9 -4 5.54 5.74 11 9 -3 37.33 6.78 11 9 -3 37.57 6.62 11 -9 -3 27.54 6.54 11 9 -2 3.03 4.72 11 9 -2 3.99 5.00 11 -9 -2 7.66 5.28 11 9 -1 -4.03 5.13 11 -9 -1 3.26 5.34 11 9 -1 -3.02 5.35 11 -9 0 4.32 5.93 11 9 0 4.07 5.40 11 -9 1 143.93 12.34 11 -9 2 2.06 6.56 11 10 -4 6.14 5.27 11 10 -3 4.13 4.88 12 2 -9 -3.28 4.73 12 3 -7 4.92 4.36 0 0 0 0.00 0.00 TITL lk41db in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 7.112669 14.310037 21.716462 90.0000 98.1889 90.0000 ZERR 1.00 0.000102 0.000197 0.000305 0.0000 0.0013 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O Fe UNIT 100.00 92.00 12.00 12.00 4.00 REM CrysAlisPro recorded range (K): Min=99.9; max=100.1; aver:100.0 TEMP -173 SIZE 0.07 0.09 0.12 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 95776 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' '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_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 Fe1 Fe 0.69643(2) 0.69306(2) 0.62826(2) 0.01498(4) Uani 1 1 d . . . . . O1 O 0.32650(10) 0.59460(5) 0.53747(3) 0.01849(12) Uani 1 1 d . . . . . O2 O 1.04390(13) 0.60426(9) 0.69046(5) 0.0482(3) Uani 1 1 d . . . . . O3 O 0.87341(12) 0.87762(6) 0.64645(4) 0.03049(17) Uani 1 1 d . . . . . N1 N 0.54488(12) 0.64043(6) 0.75611(3) 0.01875(13) Uani 1 1 d . . . . . N2 N 0.42463(12) 0.82007(5) 0.70286(4) 0.01765(13) Uani 1 1 d . . . . . N3 N 0.75897(11) 0.65446(6) 0.54624(4) 0.01883(13) Uani 1 1 d . . . . . C1 C 0.39633(12) 0.63228(6) 0.58674(4) 0.01514(13) Uani 1 1 d . . . . . C2 C 0.49796(12) 0.58731(6) 0.64296(4) 0.01526(13) Uani 1 1 d . . . . . C3 C 0.51109(12) 0.65526(6) 0.69247(4) 0.01547(13) Uani 1 1 d . . . . . C4 C 0.44935(12) 0.74447(6) 0.66594(4) 0.01542(13) Uani 1 1 d . . . . . C5 C 0.41118(12) 0.73368(6) 0.59932(4) 0.01492(13) Uani 1 1 d . . . . . C6 C 0.51099(12) 0.48469(6) 0.64746(4) 0.01590(14) Uani 1 1 d . . . . . C7 C 0.57527(13) 0.43380(6) 0.59951(4) 0.01818(15) Uani 1 1 d . . . . . H7 H 0.623241 0.465830 0.566728 0.022 Uiso 1 1 calc R U . . . C8 C 0.56937(14) 0.33660(7) 0.59955(5) 0.02158(16) Uani 1 1 d . . . . . H8 H 0.613020 0.302584 0.566785 0.026 Uiso 1 1 calc R U . . . C9 C 0.49965(15) 0.28909(7) 0.64747(5) 0.02395(18) Uani 1 1 d . . . . . H9 H 0.493047 0.222781 0.646945 0.029 Uiso 1 1 calc R U . . . C10 C 0.43964(14) 0.33897(7) 0.69614(5) 0.02304(17) Uani 1 1 d . . . . . H10 H 0.395840 0.306598 0.729558 0.028 Uiso 1 1 calc R U . . . C11 C 0.44372(13) 0.43621(7) 0.69592(4) 0.01941(15) Uani 1 1 d . . . . . H11 H 0.400555 0.469941 0.728882 0.023 Uiso 1 1 calc R U . . . C12 C 0.70893(15) 0.58450(7) 0.78152(4) 0.02248(17) Uani 1 1 d . . . . . H12A H 0.725075 0.532997 0.753000 0.034 Uiso 1 1 calc R U . . . H12B H 0.689068 0.559131 0.822014 0.034 Uiso 1 1 calc R U . . . H12C H 0.822975 0.623769 0.786646 0.034 Uiso 1 1 calc R U . . . C13 C 0.50121(15) 0.71991(7) 0.79419(4) 0.02230(17) Uani 1 1 d . . . . . H13A H 0.580904 0.715845 0.835371 0.027 Uiso 1 1 calc R U . . . H13B H 0.366672 0.715813 0.800897 0.027 Uiso 1 1 calc R U . . . C14 C 0.53447(15) 0.81417(7) 0.76510(4) 0.02170(17) Uani 1 1 d . . . . . H14A H 0.495554 0.864952 0.791553 0.026 Uiso 1 1 calc R U . . . H14B H 0.671308 0.821907 0.762304 0.026 Uiso 1 1 calc R U . . . C15 C 0.40243(15) 0.91351(7) 0.67603(4) 0.02145(16) Uani 1 1 d . . . . . H15A H 0.518138 0.930864 0.659096 0.032 Uiso 1 1 calc R U . . . H15B H 0.380070 0.958317 0.708331 0.032 Uiso 1 1 calc R U . . . H15C H 0.294148 0.914147 0.642618 0.032 Uiso 1 1 calc R U . . . C16 C 0.32792(13) 0.80072(6) 0.55068(4) 0.01549(13) Uani 1 1 d . . . . . C17 C 0.13074(14) 0.80491(7) 0.53650(5) 0.02083(16) Uani 1 1 d . . . . . H17 H 0.054544 0.767239 0.559165 0.025 Uiso 1 1 calc R U . . . C18 C 0.04349(16) 0.86341(8) 0.48967(5) 0.0275(2) Uani 1 1 d . . . . . H18 H -0.091129 0.865774 0.480795 0.033 Uiso 1 1 calc R U . . . C19 C 0.15340(18) 0.91818(7) 0.45602(5) 0.0269(2) Uani 1 1 d . . . . . H19 H 0.094569 0.958947 0.424501 0.032 Uiso 1 1 calc R U . . . C20 C 0.35010(17) 0.91304(7) 0.46872(5) 0.0265(2) Uani 1 1 d . . . . . H20 H 0.425877 0.949678 0.445285 0.032 Uiso 1 1 calc R U . . . C21 C 0.43711(15) 0.85442(7) 0.51566(5) 0.02223(17) Uani 1 1 d . . . . . H21 H 0.571762 0.851100 0.523803 0.027 Uiso 1 1 calc R U . . . C22 C 0.90544(15) 0.63865(8) 0.66780(5) 0.02628(19) Uani 1 1 d . . . . . C23 C 0.80347(14) 0.80509(7) 0.63742(4) 0.02060(16) Uani 1 1 d . . . . . C24 C 0.81873(13) 0.62969(7) 0.50265(4) 0.01860(15) Uani 1 1 d . . . . . C25 C 0.90616(14) 0.59912(7) 0.44927(4) 0.02123(16) Uani 1 1 d . . . . . H25A H 0.863748 0.639584 0.413581 0.032 Uiso 1 1 calc R U . . . H25B H 0.868795 0.534462 0.438907 0.032 Uiso 1 1 calc R U . . . H25C H 1.044686 0.602781 0.459461 0.032 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Fe1 0.01377(6) 0.01740(6) 0.01388(6) -0.00046(4) 0.00231(4) -0.00240(4) O1 0.0203(3) 0.0174(3) 0.0167(3) -0.0011(2) -0.0013(2) -0.0026(2) O2 0.0220(4) 0.0716(8) 0.0505(6) 0.0280(5) 0.0033(4) 0.0091(4) O3 0.0324(4) 0.0263(4) 0.0338(4) -0.0081(3) 0.0086(3) -0.0117(3) N1 0.0210(3) 0.0226(3) 0.0127(3) 0.0013(2) 0.0023(2) 0.0032(3) N2 0.0212(3) 0.0174(3) 0.0141(3) -0.0015(2) 0.0019(2) 0.0006(2) N3 0.0170(3) 0.0203(3) 0.0193(3) 0.0000(3) 0.0030(3) -0.0033(3) C1 0.0143(3) 0.0158(3) 0.0153(3) 0.0008(2) 0.0020(2) -0.0020(2) C2 0.0151(3) 0.0154(3) 0.0153(3) 0.0012(2) 0.0021(3) -0.0014(2) C3 0.0150(3) 0.0182(3) 0.0134(3) 0.0011(3) 0.0024(2) -0.0008(3) C4 0.0149(3) 0.0171(3) 0.0145(3) -0.0005(3) 0.0029(2) -0.0009(3) C5 0.0151(3) 0.0157(3) 0.0138(3) 0.0007(2) 0.0017(2) -0.0018(2) C6 0.0148(3) 0.0160(3) 0.0164(3) 0.0019(3) 0.0003(3) -0.0018(3) C7 0.0185(4) 0.0172(3) 0.0184(4) 0.0008(3) 0.0012(3) 0.0003(3) C8 0.0216(4) 0.0181(4) 0.0235(4) -0.0013(3) -0.0019(3) 0.0011(3) C9 0.0242(4) 0.0172(4) 0.0278(5) 0.0038(3) -0.0055(3) -0.0027(3) C10 0.0229(4) 0.0212(4) 0.0235(4) 0.0065(3) -0.0020(3) -0.0062(3) C11 0.0190(4) 0.0208(4) 0.0181(4) 0.0027(3) 0.0013(3) -0.0048(3) C12 0.0269(4) 0.0225(4) 0.0166(4) 0.0007(3) -0.0017(3) 0.0050(3) C13 0.0265(4) 0.0271(4) 0.0139(3) 0.0008(3) 0.0047(3) 0.0066(3) C14 0.0250(4) 0.0246(4) 0.0149(3) -0.0036(3) 0.0004(3) 0.0023(3) C15 0.0269(4) 0.0179(4) 0.0195(4) -0.0021(3) 0.0029(3) 0.0000(3) C16 0.0186(3) 0.0144(3) 0.0136(3) -0.0002(2) 0.0024(3) -0.0019(3) C17 0.0189(4) 0.0237(4) 0.0198(4) 0.0034(3) 0.0025(3) 0.0000(3) C18 0.0250(5) 0.0319(5) 0.0246(4) 0.0052(4) 0.0002(4) 0.0065(4) C19 0.0397(6) 0.0214(4) 0.0188(4) 0.0036(3) 0.0010(4) 0.0047(4) C20 0.0381(6) 0.0212(4) 0.0203(4) 0.0055(3) 0.0041(4) -0.0062(4) C21 0.0247(4) 0.0220(4) 0.0201(4) 0.0042(3) 0.0035(3) -0.0065(3) C22 0.0188(4) 0.0354(5) 0.0251(4) 0.0071(4) 0.0045(3) -0.0015(4) C23 0.0190(4) 0.0242(4) 0.0194(4) -0.0029(3) 0.0053(3) -0.0040(3) C24 0.0161(3) 0.0213(4) 0.0182(4) 0.0000(3) 0.0018(3) -0.0020(3) C25 0.0185(4) 0.0278(4) 0.0177(4) -0.0026(3) 0.0035(3) 0.0007(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -10 3 8 0.0343 -1 -18 -14 0.0428 10 0 -6 0.0533 0 18 14 0.0316 -10 1 8 0.0333 0 17 -17 0.0104 0 -17 16 0.0571 0 3 30 0.0594 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 C23 Fe1 C22 91.47(5) . . ? C23 Fe1 N3 101.87(4) . . ? C22 Fe1 N3 91.87(4) . . ? C23 Fe1 C5 99.38(4) . . ? C22 Fe1 C5 163.50(4) . . ? N3 Fe1 C5 97.96(3) . . ? C23 Fe1 C3 116.99(4) . . ? C22 Fe1 C3 97.21(4) . . ? N3 Fe1 C3 139.68(3) . . ? C5 Fe1 C3 66.81(3) . . ? C23 Fe1 C2 155.61(4) . . ? C22 Fe1 C2 98.20(4) . . ? N3 Fe1 C2 100.15(3) . . ? C5 Fe1 C2 67.12(3) . . ? C3 Fe1 C2 39.73(3) . . ? C23 Fe1 C4 90.52(4) . . ? C22 Fe1 C4 129.04(4) . . ? N3 Fe1 C4 137.17(3) . . ? C5 Fe1 C4 39.27(3) . . ? C3 Fe1 C4 39.29(3) . . ? C2 Fe1 C4 66.02(3) . . ? C23 Fe1 C1 136.54(4) . . ? C22 Fe1 C1 131.92(4) . . ? N3 Fe1 C1 81.96(3) . . ? C5 Fe1 C1 38.03(3) . . ? C3 Fe1 C1 62.90(3) . . ? C2 Fe1 C1 37.93(3) . . ? C4 Fe1 C1 62.12(3) . . ? C3 N1 C12 118.54(8) . . ? C3 N1 C13 115.07(8) . . ? C12 N1 C13 115.80(8) . . ? C4 N2 C15 120.32(7) . . ? C4 N2 C14 113.45(7) . . ? C15 N2 C14 115.78(8) . . ? C24 N3 Fe1 170.99(8) . . ? O1 C1 C2 127.93(8) . . ? O1 C1 C5 126.67(8) . . ? C2 C1 C5 105.17(7) . . ? O1 C1 Fe1 136.08(6) . . ? C2 C1 Fe1 62.29(4) . . ? C5 C1 Fe1 62.02(4) . . ? C3 C2 C6 128.71(7) . . ? C3 C2 C1 107.15(7) . . ? C6 C2 C1 120.55(7) . . ? C3 C2 Fe1 70.00(5) . . ? C6 C2 Fe1 133.07(6) . . ? C1 C2 Fe1 79.78(5) . . ? N1 C3 C2 128.61(8) . . ? N1 C3 C4 122.25(8) . . ? C2 C3 C4 108.36(7) . . ? N1 C3 Fe1 131.25(6) . . ? C2 C3 Fe1 70.26(5) . . ? C4 C3 Fe1 72.19(5) . . ? N2 C4 C5 130.47(8) . . ? N2 C4 C3 121.40(8) . . ? C5 C4 C3 108.00(7) . . ? N2 C4 Fe1 131.71(6) . . ? C5 C4 Fe1 68.42(5) . . ? C3 C4 Fe1 68.52(5) . . ? C4 C5 C1 106.80(7) . . ? C4 C5 C16 130.03(8) . . ? C1 C5 C16 119.46(7) . . ? C4 C5 Fe1 72.31(5) . . ? C1 C5 Fe1 79.96(5) . . ? C16 C5 Fe1 130.99(6) . . ? C7 C6 C11 118.95(8) . . ? C7 C6 C2 119.56(8) . . ? C11 C6 C2 121.23(8) . . ? C8 C7 C6 120.44(9) . . ? C7 C8 C9 120.17(9) . . ? C10 C9 C8 119.84(9) . . ? C11 C10 C9 120.07(9) . . ? C10 C11 C6 120.50(9) . . ? N1 C13 C14 113.31(8) . . ? N2 C14 C13 109.89(8) . . ? C21 C16 C17 118.52(8) . . ? C21 C16 C5 123.19(8) . . ? C17 C16 C5 118.12(8) . . ? C18 C17 C16 121.11(9) . . ? C19 C18 C17 119.90(10) . . ? C18 C19 C20 119.55(9) . . ? C19 C20 C21 120.42(9) . . ? C16 C21 C20 120.45(10) . . ? O2 C22 Fe1 176.47(10) . . ? O3 C23 Fe1 176.69(9) . . ? N3 C24 C25 176.54(10) . . ? 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 Fe1 C23 1.7737(10) . ? Fe1 C22 1.7861(11) . ? Fe1 N3 1.9752(8) . ? Fe1 C5 2.1180(9) . ? Fe1 C3 2.1210(8) . ? Fe1 C2 2.1244(8) . ? Fe1 C4 2.1700(8) . ? Fe1 C1 2.3616(9) . ? O1 C1 1.2374(10) . ? O2 C22 1.1472(14) . ? O3 C23 1.1555(12) . ? N1 C3 1.3850(11) . ? N1 C12 1.4571(12) . ? N1 C13 1.4652(13) . ? N2 C4 1.3726(11) . ? N2 C15 1.4581(12) . ? N2 C14 1.4642(12) . ? N3 C24 1.1476(12) . ? C1 C2 1.4751(12) . ? C1 C5 1.4775(12) . ? C2 C3 1.4427(12) . ? C2 C6 1.4738(12) . ? C3 C4 1.4431(12) . ? C4 C5 1.4417(12) . ? C5 C16 1.4862(12) . ? C6 C7 1.3997(13) . ? C6 C11 1.4005(12) . ? C7 C8 1.3915(13) . ? C8 C9 1.3922(15) . ? C9 C10 1.3920(16) . ? C10 C11 1.3918(14) . ? C13 C14 1.5221(15) . ? C16 C21 1.3929(13) . ? C16 C17 1.3937(13) . ? C17 C18 1.3931(14) . ? C18 C19 1.3863(16) . ? C19 C20 1.3889(17) . ? C20 C21 1.3951(14) . ? C24 C25 1.4585(13) . ? 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 O1 C1 C2 C3 -166.31(9) . . . . ? C5 C1 C2 C3 18.97(9) . . . . ? Fe1 C1 C2 C3 65.21(6) . . . . ? O1 C1 C2 C6 -5.90(14) . . . . ? C5 C1 C2 C6 179.38(7) . . . . ? Fe1 C1 C2 C6 -134.37(8) . . . . ? O1 C1 C2 Fe1 128.47(9) . . . . ? C5 C1 C2 Fe1 -46.24(6) . . . . ? C12 N1 C3 C2 51.99(13) . . . . ? C13 N1 C3 C2 -164.75(9) . . . . ? C12 N1 C3 C4 -139.37(9) . . . . ? C13 N1 C3 C4 3.89(12) . . . . ? C12 N1 C3 Fe1 -45.22(12) . . . . ? C13 N1 C3 Fe1 98.04(10) . . . . ? C6 C2 C3 N1 2.18(15) . . . . ? C1 C2 C3 N1 160.46(9) . . . . ? Fe1 C2 C3 N1 -127.59(9) . . . . ? C6 C2 C3 C4 -167.72(8) . . . . ? C1 C2 C3 C4 -9.43(9) . . . . ? Fe1 C2 C3 C4 62.52(6) . . . . ? C6 C2 C3 Fe1 129.76(9) . . . . ? C1 C2 C3 Fe1 -71.95(6) . . . . ? C15 N2 C4 C5 -17.96(14) . . . . ? C14 N2 C4 C5 -161.38(9) . . . . ? C15 N2 C4 C3 166.77(8) . . . . ? C14 N2 C4 C3 23.35(12) . . . . ? C15 N2 C4 Fe1 78.52(11) . . . . ? C14 N2 C4 Fe1 -64.90(11) . . . . ? N1 C3 C4 N2 1.34(13) . . . . ? C2 C3 C4 N2 172.01(8) . . . . ? Fe1 C3 C4 N2 -126.70(8) . . . . ? N1 C3 C4 C5 -174.87(8) . . . . ? C2 C3 C4 C5 -4.21(9) . . . . ? Fe1 C3 C4 C5 57.09(6) . . . . ? N1 C3 C4 Fe1 128.04(8) . . . . ? C2 C3 C4 Fe1 -61.29(6) . . . . ? N2 C4 C5 C1 -159.61(9) . . . . ? C3 C4 C5 C1 16.14(9) . . . . ? Fe1 C4 C5 C1 73.29(6) . . . . ? N2 C4 C5 C16 -2.04(15) . . . . ? C3 C4 C5 C16 173.71(8) . . . . ? Fe1 C4 C5 C16 -129.14(9) . . . . ? N2 C4 C5 Fe1 127.10(10) . . . . ? C3 C4 C5 Fe1 -57.15(6) . . . . ? O1 C1 C5 C4 163.66(9) . . . . ? C2 C1 C5 C4 -21.53(9) . . . . ? Fe1 C1 C5 C4 -67.93(6) . . . . ? O1 C1 C5 C16 3.27(13) . . . . ? C2 C1 C5 C16 178.07(7) . . . . ? Fe1 C1 C5 C16 131.68(8) . . . . ? O1 C1 C5 Fe1 -128.41(9) . . . . ? C2 C1 C5 Fe1 46.39(6) . . . . ? C3 C2 C6 C7 -152.70(9) . . . . ? C1 C2 C6 C7 51.53(12) . . . . ? Fe1 C2 C6 C7 -54.12(12) . . . . ? C3 C2 C6 C11 33.33(13) . . . . ? C1 C2 C6 C11 -122.44(9) . . . . ? Fe1 C2 C6 C11 131.91(8) . . . . ? C11 C6 C7 C8 1.05(13) . . . . ? C2 C6 C7 C8 -173.05(8) . . . . ? C6 C7 C8 C9 -0.13(14) . . . . ? C7 C8 C9 C10 -1.41(15) . . . . ? C8 C9 C10 C11 2.02(15) . . . . ? C9 C10 C11 C6 -1.09(14) . . . . ? C7 C6 C11 C10 -0.45(13) . . . . ? C2 C6 C11 C10 173.56(8) . . . . ? C3 N1 C13 C14 -32.40(12) . . . . ? C12 N1 C13 C14 111.89(10) . . . . ? C4 N2 C14 C13 -50.31(11) . . . . ? C15 N2 C14 C13 164.53(8) . . . . ? N1 C13 C14 N2 56.01(11) . . . . ? C4 C5 C16 C21 98.68(12) . . . . ? C1 C5 C16 C21 -106.13(10) . . . . ? Fe1 C5 C16 C21 -3.10(13) . . . . ? C4 C5 C16 C17 -86.06(12) . . . . ? C1 C5 C16 C17 69.14(11) . . . . ? Fe1 C5 C16 C17 172.16(7) . . . . ? C21 C16 C17 C18 -1.89(15) . . . . ? C5 C16 C17 C18 -177.38(9) . . . . ? C16 C17 C18 C19 0.45(16) . . . . ? C17 C18 C19 C20 1.03(17) . . . . ? C18 C19 C20 C21 -1.06(17) . . . . ? C17 C16 C21 C20 1.85(14) . . . . ? C5 C16 C21 C20 177.10(9) . . . . ? C19 C20 C21 C16 -0.40(16) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -9.8936 2.5138 7.5092 -0.0373 0.0274 0.9989 -0.6003 -17.8764 -13.6581 0.7922 -0.6079 -0.0536 10.0159 -0.2534 -5.8082 -0.0632 0.0497 -0.9968 -0.1631 17.8804 14.0888 -0.7867 0.6036 0.1294 -9.9554 0.8722 7.7361 0.0441 0.0194 0.9988 0.3296 16.9651 -16.5209 -0.9239 -0.3826 -0.0089 0.1678 -17.0360 16.1605 0.9231 0.3823 -0.0411 -0.2198 3.1021 30.0301 0.0262 0.9925 0.1190