#------------------------------------------------------------------------------ #$Date: 2021-04-06 06:54:17 +0300 (Tue, 06 Apr 2021) $ #$Revision: 263889 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/80/7158009.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_7158009 loop_ _publ_author_name 'Guranova, Natalia' 'Golubev, Pavel' 'Bakulina, Olga' 'Dar'in, Dmitry' 'Kantin, Grigory' 'Krasavin, Mikhail' _publ_section_title ; Unexpected formal [4+2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1H)-ones ; _journal_name_full 'Organic & Biomolecular Chemistry' _journal_paper_doi 10.1039/D1OB00534K _journal_year 2021 _chemical_formula_moiety '0.67(C32 H27 N O3)' _chemical_formula_sum 'C21.33 H18 N0.67 O2' _chemical_formula_weight 315.70 _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 2021-03-03 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6257) ; _audit_update_record ; 2021-03-03 deposited with the CCDC. 2021-04-05 downloaded from the CCDC. ; _cell_angle_alpha 95.410(2) _cell_angle_beta 112.439(2) _cell_angle_gamma 115.598(3) _cell_formula_units_Z 3 _cell_length_a 10.6020(3) _cell_length_b 11.2205(3) _cell_length_c 13.0016(2) _cell_measurement_reflns_used 11857 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 76.9960 _cell_measurement_theta_min 3.8630 _cell_volume 1225.34(7) _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.974 _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at home/near, HyPix' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0364 _diffrn_reflns_av_unetI/netI 0.0305 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.974 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 20378 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.974 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 77.275 _diffrn_reflns_theta_min 3.870 _exptl_absorpt_coefficient_mu 0.650 _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 1.283 _exptl_crystal_description prism _exptl_crystal_F_000 500 _refine_diff_density_max 0.184 _refine_diff_density_min -0.291 _refine_diff_density_rms 0.046 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.055 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 326 _refine_ls_number_reflns 5076 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.055 _refine_ls_R_factor_all 0.0467 _refine_ls_R_factor_gt 0.0414 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0584P)^2^+0.3683P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1105 _refine_ls_wR_factor_ref 0.1142 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4503 _reflns_number_total 5076 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1ob00534k2.cif _cod_data_source_block 1ver0-17269_zra-807(1) _cod_original_cell_volume 1225.33(6) _cod_database_code 7158009 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Ternary CH refined with riding coordinates: C11(H11), C10(H10) 2.b Secondary CH2 refined with riding coordinates: C1(H1A,H1B) 2.c Aromatic/amide H refined with riding coordinates: C32(H32), C30(H30), C26(H26), C28(H28), C9(H9), C24(H24), C31(H31), C22(H22), C18(H18), C3(H3), C29(H29), C4(H4), C25(H25), C7(H7), C17(H17), C15(H15), C16(H16), C23(H23), C5(H5), C6(H6) 2.d Idealised Me refined as rotating group: C20(H20A,H20B,H20C) ; _shelx_res_file ; TITL 1ver0-17269_zra-807(1)_a.res in P-1 1ver0-17269_zra-807(1).res created by SHELXL-2018/3 at 20:36:48 on 06-Feb-2021 REM Old TITL REM SHELXT solution in P-1: R1 0.127, Rweak 0.016, Alpha 0.031 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C32 N O3 CELL 1.54184 10.602 11.2205 13.0016 95.41 112.439 115.598 ZERR 3 0.0003 0.0003 0.0002 0.002 0.002 0.003 LATT 1 SFAC C H N O UNIT 64 54 2 6 L.S. 10 PLAN 20 BOND list 4 fmap 2 ACTA OMIT -5 -9 6 OMIT -5 -8 10 OMIT -4 -9 11 OMIT -4 -10 8 OMIT -4 -10 5 OMIT -3 -10 10 OMIT -3 -10 11 OMIT -4 -9 10 OMIT -3 -11 6 REM REM REM WGHT 0.058400 0.368300 FVAR 0.92699 O1 4 0.501627 0.444899 0.358349 11.00000 0.03188 0.01577 = 0.03001 0.00659 0.01141 0.00877 O3 4 0.445659 0.342635 0.099454 11.00000 0.04343 0.02059 = 0.02891 0.00478 0.01472 0.01498 O2 4 0.591990 0.574954 0.169571 11.00000 0.03973 0.02134 = 0.03820 0.00526 0.02238 0.01158 N1 3 0.699872 0.658515 0.486105 11.00000 0.02646 0.01610 = 0.02209 0.00666 0.01121 0.01033 C21 1 0.483390 0.853432 0.272315 11.00000 0.02438 0.01683 = 0.02365 0.00629 0.01080 0.00809 C8 1 0.759466 0.804452 0.524291 11.00000 0.02577 0.01708 = 0.02364 0.00611 0.01361 0.00984 C27 1 0.883490 0.883423 0.647546 11.00000 0.02630 0.01869 = 0.02394 0.00655 0.01230 0.01273 C12 1 0.554547 0.570321 0.391819 11.00000 0.02715 0.01889 = 0.02261 0.00779 0.01453 0.00992 C1 1 0.800527 0.601608 0.542109 11.00000 0.02908 0.01831 = 0.02427 0.00898 0.01263 0.01267 AFIX 23 H1A 2 0.740270 0.501320 0.507434 11.00000 -1.20000 H1B 2 0.828936 0.621979 0.624599 11.00000 -1.20000 AFIX 0 C32 1 0.865086 0.836635 0.739982 11.00000 0.02736 0.01786 = 0.02550 0.00755 0.01282 0.01058 AFIX 43 H32 2 0.776251 0.752789 0.724240 11.00000 -1.20000 AFIX 0 C11 1 0.459534 0.636920 0.332058 11.00000 0.02648 0.01952 = 0.02272 0.00693 0.01203 0.01031 AFIX 13 H11 2 0.418750 0.656537 0.383614 11.00000 -1.20000 AFIX 0 C10 1 0.570477 0.780314 0.327198 11.00000 0.02705 0.01847 = 0.02207 0.00676 0.01285 0.01076 AFIX 13 H10 2 0.618379 0.764960 0.279871 11.00000 -1.20000 AFIX 0 C2 1 0.950079 0.659172 0.530207 11.00000 0.02943 0.01621 = 0.02710 0.00679 0.01416 0.01180 C30 1 1.111239 1.041699 0.879351 11.00000 0.02889 0.02254 = 0.02345 0.00421 0.00803 0.01164 AFIX 43 H30 2 1.187843 1.093812 0.956507 11.00000 -1.20000 AFIX 0 C26 1 0.424517 0.908473 0.329549 11.00000 0.03527 0.02854 = 0.02655 0.01235 0.01795 0.01770 AFIX 43 H26 2 0.436941 0.898733 0.402474 11.00000 -1.20000 AFIX 0 C28 1 1.016323 1.010846 0.673073 11.00000 0.02939 0.02010 = 0.02633 0.00855 0.01582 0.01111 AFIX 43 H28 2 1.029701 1.042843 0.612453 11.00000 -1.20000 AFIX 0 C9 1 0.700539 0.864176 0.450596 11.00000 0.02768 0.01661 = 0.02411 0.00635 0.01314 0.01006 AFIX 43 H9 2 0.740611 0.959382 0.475990 11.00000 -1.20000 AFIX 0 C24 1 0.328665 0.993429 0.171809 11.00000 0.02990 0.03045 = 0.03297 0.01338 0.01135 0.01784 AFIX 43 H24 2 0.277578 1.040158 0.138508 11.00000 -1.20000 AFIX 0 C13 1 0.314990 0.536502 0.216571 11.00000 0.02822 0.01744 = 0.02559 0.01093 0.01080 0.00885 C19 1 0.466696 0.469117 0.135894 11.00000 0.03908 0.01958 = 0.02073 0.00551 0.01308 0.01269 C31 1 0.979443 0.915453 0.854967 11.00000 0.03406 0.02303 = 0.02370 0.00991 0.01432 0.01550 AFIX 43 H31 2 0.967664 0.883470 0.916009 11.00000 -1.20000 AFIX 0 C22 1 0.463415 0.869552 0.163522 11.00000 0.03371 0.02784 = 0.02338 0.00763 0.01346 0.01627 AFIX 43 H22 2 0.501945 0.833468 0.123627 11.00000 -1.20000 AFIX 0 C14 1 0.318122 0.459794 0.126410 11.00000 0.03373 0.01745 = 0.02556 0.00864 0.01032 0.00945 C18 1 0.167725 0.514200 0.200542 11.00000 0.03114 0.02661 = 0.03305 0.01593 0.01381 0.01455 AFIX 43 H18 2 0.162619 0.562803 0.259427 11.00000 -1.20000 AFIX 0 C3 1 0.947740 0.673795 0.424600 11.00000 0.03633 0.02819 = 0.02910 0.00976 0.01758 0.01782 AFIX 43 H3 2 0.853874 0.653175 0.360957 11.00000 -1.20000 AFIX 0 C29 1 1.128527 1.090010 0.788513 11.00000 0.02695 0.01988 = 0.02979 0.00568 0.01327 0.00762 AFIX 43 H29 2 1.215503 1.175669 0.804923 11.00000 -1.20000 AFIX 0 C4 1 1.085348 0.719169 0.413822 11.00000 0.04780 0.03171 = 0.03906 0.01549 0.02984 0.02191 AFIX 43 H4 2 1.083279 0.728921 0.343045 11.00000 -1.20000 AFIX 0 C25 1 0.347395 0.977832 0.280127 11.00000 0.03590 0.03167 = 0.03605 0.01238 0.02028 0.02109 AFIX 43 H25 2 0.308430 1.013711 0.319732 11.00000 -1.20000 AFIX 0 C7 1 1.092104 0.692857 0.624571 11.00000 0.03280 0.03555 = 0.03308 0.01571 0.01630 0.01498 AFIX 43 H7 2 1.095427 0.685238 0.696054 11.00000 -1.20000 AFIX 0 C17 1 0.028503 0.421347 0.098989 11.00000 0.02954 0.02859 = 0.04337 0.02036 0.00997 0.01228 AFIX 43 H17 2 -0.068257 0.407203 0.091213 11.00000 -1.20000 AFIX 0 C15 1 0.177554 0.368793 0.023677 11.00000 0.04148 0.01861 = 0.02745 0.00686 0.00686 0.01134 AFIX 43 H15 2 0.180940 0.320035 -0.036214 11.00000 -1.20000 AFIX 0 C16 1 0.033864 0.350225 0.009799 11.00000 0.03541 0.02214 = 0.03420 0.01061 0.00113 0.00874 AFIX 43 H16 2 -0.058676 0.290147 -0.059247 11.00000 -1.20000 AFIX 0 C23 1 0.386348 0.939134 0.113490 11.00000 0.03822 0.03562 = 0.02553 0.01378 0.01337 0.02016 AFIX 43 H23 2 0.373692 0.949065 0.040574 11.00000 -1.20000 AFIX 0 C5 1 1.224976 0.749755 0.507952 11.00000 0.03761 0.02814 = 0.05184 0.01611 0.02884 0.01639 AFIX 43 H5 2 1.316337 0.778503 0.500062 11.00000 -1.20000 AFIX 0 C20 1 0.584914 0.342945 0.107941 11.00000 0.05314 0.03122 = 0.03607 0.00944 0.02270 0.02542 AFIX 137 H20A 2 0.614652 0.385749 0.054080 11.00000 -1.50000 H20B 2 0.563151 0.249034 0.089158 11.00000 -1.50000 H20C 2 0.670014 0.394260 0.186259 11.00000 -1.50000 AFIX 0 C6 1 1.229246 0.737766 0.613648 11.00000 0.03047 0.04295 = 0.04542 0.01930 0.01708 0.01627 AFIX 43 H6 2 1.323677 0.759693 0.677383 11.00000 -1.20000 AFIX 0 HKLF 4 REM 1ver0-17269_zra-807(1)_a.res in P-1 REM wR2 = 0.1142, GooF = S = 1.055, Restrained GooF = 1.055 for all data REM R1 = 0.0414 for 4503 Fo > 4sig(Fo) and 0.0467 for all 5076 data REM 326 parameters refined using 0 restraints END WGHT 0.0618 0.3389 REM Highest difference peak 0.184, deepest hole -0.291, 1-sigma level 0.046 Q1 1 0.6334 0.8273 0.3923 11.00000 0.05 0.18 Q2 1 -0.0836 0.4363 0.1277 11.00000 0.05 0.17 Q3 1 0.3828 0.5796 0.2710 11.00000 0.05 0.17 Q4 1 0.5043 0.6054 0.3616 11.00000 0.05 0.17 Q5 1 0.8842 0.6481 0.5382 11.00000 0.05 0.17 Q6 1 0.7150 0.6022 0.2449 11.00000 0.05 0.17 Q7 1 0.8202 0.8410 0.5907 11.00000 0.05 0.17 Q8 1 0.5261 0.8212 0.3001 11.00000 0.05 0.16 Q9 1 1.0193 0.6673 0.5731 11.00000 0.05 0.16 Q10 1 0.5040 0.8818 0.2292 11.00000 0.05 0.16 Q11 1 0.2400 0.5002 0.2260 11.00000 0.05 0.15 Q12 1 1.0234 0.7213 0.4234 11.00000 0.05 0.14 Q13 1 0.8776 0.8585 0.6886 11.00000 0.05 0.14 Q14 1 0.2601 0.4124 0.0866 11.00000 0.05 0.14 Q15 1 1.0819 0.7416 0.7155 11.00000 0.05 0.14 Q16 1 0.6595 0.6402 0.4152 11.00000 0.05 0.14 Q17 1 0.3443 0.9782 0.2261 11.00000 0.05 0.14 Q18 1 0.7612 0.8375 0.4707 11.00000 0.05 0.14 Q19 1 0.4144 0.4002 0.2639 11.00000 0.05 0.14 Q20 1 0.6942 0.8273 0.4970 11.00000 0.05 0.14 ; _shelx_res_checksum 28195 _shelx_hkl_file ; 0 0 1 982.85 41.36 0 0 1 960.62 41.18 0 0 2 0.50 0.67 0 0 2 1.28 0.46 0 0 2 0.75 0.47 0 0 3 938.17 41.97 0 0 3 1001.01 41.55 0 0 3 955.19 41.46 0 0 4 1912.36 79.99 0 0 4 1841.37 79.83 0 0 5 512.43 21.98 0 0 5 525.68 22.87 0 0 5 485.46 21.73 0 0 6 744.61 33.28 0 0 6 838.48 34.71 0 0 7 -0.22 1.27 0 0 8 314.85 16.22 0 0 8 321.39 14.66 0 0 8 347.62 18.24 0 0 8 328.61 16.11 0 0 -8 307.91 14.50 0 0 -8 318.16 16.51 0 0 8 327.26 14.67 0 0 8 323.22 14.73 0 0 9 115.16 9.31 0 0 9 119.63 6.17 0 0 9 124.02 6.31 0 0 9 113.85 6.13 0 0 -9 98.51 7.63 0 0 9 135.55 9.18 0 0 10 5.65 2.74 0 0 10 8.98 1.59 0 0 10 10.37 1.64 0 0 10 7.84 2.83 0 0 10 9.96 2.69 0 0 10 9.27 1.34 0 0 11 14.14 1.72 0 0 11 13.37 1.81 0 0 12 2.45 1.31 0 0 12 0.99 0.94 0 0 -12 -1.10 1.79 0 0 13 35.42 2.52 0 0 -13 31.57 2.94 0 0 14 20.63 1.43 0 0 14 22.69 1.60 0 0 -14 20.13 1.44 0 1 -14 17.47 1.46 0 -1 14 14.57 1.29 0 1 -14 14.80 1.71 0 1 -13 9.53 1.44 0 -1 13 11.41 1.44 0 -1 13 10.11 1.25 0 -1 12 71.11 3.95 0 -1 12 72.78 4.20 0 -1 12 62.52 3.71 0 -1 11 108.85 9.53 0 -1 11 127.98 9.31 0 -1 11 127.79 6.55 0 -1 11 119.73 6.27 0 -1 11 115.55 6.12 0 -1 10 380.86 22.27 0 -1 10 411.39 18.51 0 -1 10 460.93 22.09 0 -1 10 401.11 20.94 0 -1 10 388.82 18.20 0 -1 10 409.86 18.50 0 -1 10 400.46 18.33 0 -1 9 212.89 10.13 0 -1 9 200.27 13.22 0 -1 9 216.35 10.15 0 -1 9 203.16 9.96 0 -1 8 390.65 20.20 0 -1 8 423.01 19.78 0 -1 8 459.22 22.29 0 -1 8 426.26 18.97 0 1 -8 405.52 20.18 0 -1 8 438.53 18.96 0 -1 8 414.47 18.83 0 -1 7 0.93 1.06 0 -1 7 -0.66 1.86 0 -1 7 -0.60 1.19 0 -1 6 6.47 0.88 0 -1 6 9.60 1.50 0 -1 6 10.56 2.49 0 -1 6 10.10 1.70 0 -1 5 341.52 15.70 0 -1 5 322.52 14.43 0 -1 5 299.00 13.93 0 -1 5 315.22 14.65 0 -1 5 321.36 14.75 0 -1 4 837.08 32.54 0 -1 4 811.70 31.47 0 -1 4 768.37 31.19 0 -1 4 790.65 31.74 0 -1 3 1718.85 70.97 0 -1 3 1679.70 71.39 0 -1 3 1587.78 70.61 0 -1 3 1714.12 70.68 0 1 -3 1727.94 71.17 0 -1 3 1604.03 70.52 0 -1 2 600.89 25.68 0 -1 2 560.83 25.51 0 -1 2 589.81 25.73 0 -1 2 594.06 25.53 0 -1 2 617.81 25.41 0 1 -2 603.39 25.67 0 1 -2 576.05 25.48 0 -1 1 270.29 11.82 0 1 -1 262.02 11.75 0 1 0 1099.13 48.46 0 1 0 1204.36 48.61 0 -1 0 1172.72 48.85 0 -1 0 1121.75 48.68 0 1 1 60.41 3.19 0 -1 -1 59.40 3.08 0 -1 -1 53.28 2.88 0 -1 -2 3272.70 139.07 0 -1 -3 157.21 7.41 0 1 3 230.12 8.38 0 1 4 40.12 2.52 0 1 4 39.77 3.25 0 1 4 31.69 2.42 0 1 5 532.19 21.83 0 1 5 506.34 21.86 0 1 5 558.83 23.16 0 1 6 14.75 1.57 0 1 6 13.67 1.55 0 -1 -7 699.71 30.56 0 1 7 697.99 32.38 0 1 8 1.18 1.61 0 1 8 1.43 0.87 0 -1 -8 0.34 1.71 0 -1 -8 1.06 0.98 0 1 9 461.76 21.71 0 1 9 385.14 21.89 0 1 9 395.65 19.75 0 1 9 412.44 21.32 0 -1 -9 333.68 22.28 0 -1 -9 377.62 17.62 0 -1 -9 363.52 20.08 0 1 9 393.77 17.79 0 1 10 2.87 2.06 0 1 10 1.76 2.39 0 1 10 1.01 1.19 0 -1 -11 130.65 8.06 0 1 11 155.89 7.51 0 -1 -12 1.24 1.11 0 1 12 0.56 0.99 0 1 13 7.28 1.14 0 -1 -13 7.83 1.08 0 1 13 7.17 1.06 0 -1 -13 7.63 1.46 0 2 -14 22.87 1.77 0 2 -13 1.26 1.06 0 -2 13 0.58 0.98 0 -2 12 466.62 21.46 0 -2 12 475.73 21.31 0 -2 12 484.13 21.28 0 -2 11 244.76 11.57 0 -2 11 221.49 15.18 0 -2 11 251.15 14.63 0 -2 11 247.68 11.74 0 -2 11 244.27 11.48 0 -2 10 84.96 4.80 0 -2 10 88.84 5.05 0 -2 10 74.25 7.50 0 -2 10 84.23 7.07 0 -2 10 85.86 4.72 0 -2 10 88.56 4.91 0 -2 9 17.64 1.90 0 -2 9 14.15 3.28 0 -2 9 21.33 1.89 0 -2 9 19.01 1.73 0 -2 9 15.85 1.74 0 -2 8 117.39 5.88 0 -2 8 115.82 5.96 0 -2 8 109.25 8.19 0 -2 7 76.10 6.02 0 -2 6 1032.16 46.88 0 -2 6 1122.11 48.10 0 -2 5 0.99 1.60 0 -2 5 1.31 0.79 0 2 -5 -0.33 1.22 0 -2 4 3079.54 132.10 0 2 -4 3202.21 131.90 0 -2 4 3000.93 131.68 0 -2 4 3054.05 131.18 0 2 -3 4197.64 175.65 0 2 -3 4091.50 174.93 0 2 -3 4086.13 175.13 0 -2 3 4143.93 175.75 0 -2 3 4147.83 175.47 0 -2 3 4143.52 175.94 0 2 -2 9781.84 403.57 0 -2 2 9263.35 403.41 0 2 -1 829.68 34.19 0 -2 1 760.42 33.63 0 -2 1 797.86 34.32 0 2 0 1003.80 43.76 0 2 0 1043.08 43.69 0 -2 0 1052.36 44.19 0 -2 0 1040.52 43.87 0 -2 0 998.12 43.68 0 2 0 988.89 43.37 0 2 1 7800.16 338.89 0 -2 -1 7941.90 339.28 0 -2 -1 8099.39 339.01 0 -2 -1 8032.85 338.68 0 -2 -2 390.77 17.57 0 -2 -2 383.37 17.22 0 2 3 70.95 4.21 0 -2 -3 74.99 5.44 0 -2 -3 63.87 3.89 0 -2 -3 59.44 3.42 0 -2 -4 119.65 7.49 0 -2 -4 92.45 4.40 0 2 4 113.10 5.69 0 -2 -4 80.11 4.37 0 -2 -4 112.57 5.31 0 2 5 134.28 6.94 0 2 5 129.99 7.83 0 2 5 128.21 7.02 0 -2 -5 134.75 9.18 0 -2 -5 118.26 6.40 0 2 6 11.22 1.68 0 2 6 16.89 2.82 0 -2 -6 12.14 3.57 0 2 7 1.09 1.91 0 2 7 3.22 2.00 0 -2 -7 1.73 1.00 0 -2 -7 0.36 1.87 0 2 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69.84 4.64 0 -4 -3 64.85 5.67 0 -4 -3 62.56 4.24 0 4 3 61.09 5.26 0 4 3 67.11 5.02 0 4 4 4.42 2.02 0 4 4 6.91 2.08 0 -4 -4 0.81 2.03 0 4 4 2.91 1.62 0 -4 -4 2.34 1.31 0 4 5 53.96 4.74 0 -4 -5 47.87 3.50 0 4 5 56.33 4.72 0 4 5 47.82 5.22 0 4 5 49.61 4.82 0 -4 -5 51.74 3.10 0 -4 -5 47.66 5.69 0 -4 -5 44.06 4.86 0 -4 -5 46.84 2.92 0 4 6 154.77 9.58 0 4 6 156.73 10.53 0 4 6 147.73 9.71 0 -4 -6 136.97 7.68 0 -4 -6 140.67 10.72 0 -4 -6 148.61 10.00 0 -4 -6 139.33 6.92 0 4 7 14.28 3.04 0 -4 -7 14.97 2.27 0 4 7 15.78 3.29 0 -4 -7 17.65 3.93 0 -4 -7 12.82 3.17 0 -4 -8 50.56 3.19 0 4 8 54.57 5.56 0 4 8 41.26 5.00 0 -4 -8 57.69 4.10 0 4 8 54.20 5.76 0 -4 -8 53.35 3.56 0 -4 -8 53.11 5.87 0 -4 -8 53.59 6.57 0 4 9 0.76 1.28 0 -4 -9 -1.32 1.52 0 4 10 145.49 7.41 0 -4 -10 131.89 7.53 0 4 11 111.44 5.70 0 4 11 117.21 5.73 0 4 12 0.65 0.47 0 4 12 1.69 0.55 0 4 12 1.29 0.51 0 5 -15 9.35 1.03 0 -5 14 183.77 8.79 0 -5 14 197.40 8.97 0 5 -13 35.18 2.36 0 -5 13 40.44 2.77 0 -5 13 38.25 2.82 0 -5 13 39.44 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119.54 8.10 0 -5 -6 107.93 6.27 0 5 6 122.45 9.23 0 5 6 95.29 8.11 0 -5 -6 109.10 5.88 0 -5 -6 96.93 9.15 0 -5 -6 112.18 8.76 0 -5 -6 107.84 5.60 0 5 7 1.51 1.71 0 -5 -7 1.48 1.44 0 -5 -7 1.26 1.92 0 5 7 1.09 1.96 0 5 7 0.90 1.99 0 -5 -7 -0.95 2.25 0 -5 -7 1.57 1.29 0 5 8 57.88 3.63 0 -5 -8 48.19 3.75 0 -5 -8 53.71 3.24 0 5 9 83.09 4.90 0 5 9 92.12 4.92 0 5 10 11.98 1.38 0 5 11 141.31 6.34 0 5 11 133.27 6.19 0 -6 14 43.01 2.42 0 -6 14 50.18 2.73 0 -6 13 -0.61 0.92 0 -6 13 -0.81 1.00 0 -6 13 -1.13 1.06 0 -6 12 0.77 1.18 0 -6 12 0.50 1.21 0 -6 11 110.35 6.26 0 -6 11 112.10 6.25 0 -6 11 114.06 5.97 0 -6 10 3.81 1.38 0 -6 10 5.59 1.43 0 -6 10 4.76 1.48 0 -6 10 2.81 1.47 0 -6 9 38.51 2.78 0 -6 9 48.86 3.26 0 -6 9 40.22 2.66 0 -6 9 44.96 3.25 0 -6 9 42.03 3.18 0 -6 9 44.89 3.22 0 -6 9 38.96 3.20 0 6 -8 49.69 5.34 0 -6 8 62.79 3.84 0 -6 8 58.65 3.60 0 -6 8 54.96 3.31 0 -6 8 58.04 3.75 0 -6 8 51.73 3.65 0 -6 8 55.87 3.34 0 -6 8 59.22 3.80 0 -6 8 55.78 3.69 0 6 -7 458.89 22.52 0 -6 7 431.03 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48.82 1 -8 7 1059.01 48.61 1 -8 7 1115.19 48.75 1 -8 7 1045.76 48.40 1 -8 8 28.62 2.33 1 -8 8 27.44 2.63 1 -8 8 30.78 2.64 1 -8 8 22.92 2.21 1 -8 8 28.98 2.43 1 -8 9 110.90 5.80 1 -8 9 117.48 6.41 1 -8 9 123.68 6.41 1 -8 9 119.71 6.39 1 -8 9 121.88 6.44 1 -8 9 96.39 5.89 1 -8 9 116.26 6.20 1 -8 10 108.01 5.94 1 -8 10 112.45 6.09 1 -8 10 110.55 6.00 1 -8 10 104.26 6.00 1 -8 11 95.17 5.13 1 -8 11 88.25 4.98 1 -8 12 0.74 0.95 1 -8 12 0.80 0.86 1 -8 12 1.36 0.80 1 -8 13 36.47 2.10 1 -8 13 31.31 2.07 -1 7 10 111.39 5.20 1 -7 -9 60.13 3.28 -1 7 9 66.68 3.59 1 -7 -8 13.44 1.42 1 -7 -7 70.41 4.37 1 -7 -6 121.48 6.30 1 -7 -6 120.88 6.18 1 -7 -6 118.01 6.65 1 -7 -5 1864.65 78.77 -1 7 5 1888.08 82.49 -1 7 5 2041.27 82.79 1 -7 -5 1786.08 78.73 1 -7 -5 1914.61 82.67 1 -7 -5 1734.31 79.17 1 -7 -4 31.54 4.38 1 -7 -4 30.11 2.44 1 -7 -4 34.46 2.43 1 -7 -4 28.04 2.77 1 -7 -3 152.11 7.51 1 -7 -3 168.43 8.13 1 -7 -3 139.34 9.23 1 -7 -3 153.99 10.05 1 -7 -3 159.16 7.76 1 -7 -3 151.28 7.62 1 -7 -2 304.99 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3.58 -1 6 9 15.73 1.53 1 -6 -9 16.30 1.91 1 -6 -9 15.11 1.44 -1 6 9 17.71 1.81 1 -6 -8 8.22 1.55 1 -6 -8 8.49 1.79 1 -6 -7 104.22 5.75 -1 6 7 109.92 8.46 -1 6 7 109.66 9.21 1 -6 -7 106.08 6.21 1 -6 -7 92.64 8.89 1 -6 -6 330.07 20.22 1 -6 -6 347.17 16.64 1 -6 -6 379.25 19.79 1 -6 -6 326.20 15.85 1 -6 -6 350.63 16.14 -1 6 6 393.04 19.20 -1 6 6 371.64 19.58 -1 6 6 406.78 20.69 -1 6 6 363.51 18.57 1 -6 -5 259.63 16.08 1 -6 -5 248.20 12.50 1 -6 -5 253.57 11.92 1 -6 -5 249.82 14.94 1 -6 -5 249.21 11.97 -1 6 5 273.80 14.21 1 -6 -4 15.15 2.84 -1 6 4 17.69 2.60 1 -6 -4 15.97 2.16 1 -6 -4 17.71 1.72 -1 6 4 22.94 3.74 1 -6 -4 16.24 1.76 1 -6 -4 17.67 3.66 1 -6 -4 12.47 3.06 1 -6 -4 19.25 1.78 1 -6 -3 0.98 1.72 1 -6 -3 0.75 1.57 -1 6 3 0.44 1.26 1 -6 -3 1.40 1.71 -1 6 3 3.10 2.09 -1 6 3 3.04 2.03 1 -6 -3 2.34 0.95 -1 6 3 1.47 1.20 1 -6 -3 2.68 0.91 1 -6 -2 575.71 27.50 -1 6 2 545.63 25.64 -1 6 2 567.52 27.45 1 -6 -2 572.53 26.65 1 -6 -2 559.76 26.75 -1 6 2 560.13 26.46 1 -6 -1 91.38 6.04 1 -6 -1 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17.35 2.07 1 -5 -5 17.12 1.64 1 -5 -5 14.72 1.53 1 -5 -5 15.68 3.63 1 -5 -5 16.22 1.70 -1 5 5 16.11 3.25 1 -5 -4 390.17 19.76 -1 5 4 392.54 19.39 1 -5 -4 380.24 18.71 1 -5 -4 412.88 17.73 1 -5 -4 377.66 17.73 1 -5 -4 394.17 20.99 -1 5 4 439.39 20.98 -1 5 4 423.84 20.17 1 -5 -3 5.97 2.09 -1 5 3 4.24 1.29 1 -5 -3 3.51 2.00 1 -5 -3 4.38 1.46 -1 5 3 6.81 2.17 -1 5 3 4.36 2.00 -1 5 3 6.85 1.65 1 -5 -2 1386.72 61.95 -1 5 2 1317.39 60.89 1 -5 -2 1403.44 62.22 1 -5 -2 1462.28 61.56 1 -5 -2 1389.42 61.14 -1 5 2 1374.76 60.62 -1 5 2 1384.97 61.82 -1 5 2 1432.54 61.83 1 -5 -1 2185.82 89.49 -1 5 1 2130.93 88.58 1 -5 -1 2135.36 88.63 1 -5 -1 2058.44 88.73 -1 5 1 1911.59 87.60 -1 5 1 2086.85 88.92 -1 5 1 1888.53 88.63 -1 5 1 2045.95 88.81 1 -5 0 2505.35 106.99 1 -5 0 2561.90 107.42 -1 5 0 2430.59 107.22 -1 5 0 2469.73 107.39 -1 5 0 2429.27 107.33 1 -5 1 802.03 35.78 1 -5 1 791.70 34.59 1 -5 1 738.35 33.99 1 -5 1 840.48 35.30 -1 5 -1 796.02 35.19 -1 5 -1 757.14 33.64 -1 5 -1 794.52 34.97 1 -5 2 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1 -4 8 156.21 8.01 1 -4 8 170.74 8.00 1 -4 9 865.35 37.30 1 -4 9 824.74 37.00 1 -4 9 831.23 37.18 1 -4 9 872.13 37.21 1 -4 9 849.37 37.19 1 -4 9 849.19 37.17 1 -4 10 61.49 3.83 1 -4 10 65.84 4.07 1 -4 10 72.14 4.12 1 -4 10 64.01 3.96 -1 4 -11 61.06 3.75 1 -4 11 59.67 3.75 1 -4 11 52.18 3.43 1 -4 11 60.76 4.04 -1 4 -12 19.70 1.91 1 -4 12 18.78 1.90 1 -4 12 18.45 1.99 1 -4 12 19.12 2.17 1 -4 13 39.53 2.52 1 -4 13 40.96 2.75 -1 4 -13 35.12 2.48 -1 4 -14 4.68 0.75 1 -3 -13 1.10 0.94 -1 3 13 0.17 0.65 -1 3 13 0.12 0.69 -1 3 12 1.18 1.02 -1 3 12 1.42 0.91 1 -3 -12 1.47 1.35 -1 3 11 6.56 1.41 1 -3 -11 6.36 1.93 -1 3 10 17.24 2.02 1 -3 -10 12.07 2.43 1 -3 -10 13.40 3.80 1 -3 -10 20.39 2.02 1 -3 -9 39.42 3.52 1 -3 -9 41.00 4.90 -1 3 9 29.49 4.44 -1 3 9 27.34 4.08 -1 3 9 34.07 4.79 1 -3 -9 32.40 2.65 1 -3 -8 29.51 3.11 -1 3 8 28.28 3.93 -1 3 8 28.48 4.17 -1 3 8 31.85 4.61 1 -3 -8 28.28 2.35 1 -3 -7 254.23 13.16 1 -3 -7 271.63 12.54 -1 3 7 292.76 15.75 -1 3 7 274.67 13.69 -1 3 7 278.69 15.14 -1 3 6 342.12 16.12 1 -3 -6 306.40 16.36 -1 3 6 376.62 17.95 -1 3 6 378.48 18.45 -1 3 6 356.77 16.88 -1 3 6 342.02 17.71 -1 3 5 673.47 29.39 1 -3 -5 594.44 28.53 1 -3 -4 4.30 1.13 -1 3 4 7.24 1.86 1 -3 -4 3.83 1.54 -1 3 4 8.47 1.80 -1 3 4 7.41 2.20 1 -3 -3 227.45 10.89 1 -3 -3 208.39 10.11 1 -3 -3 200.50 10.69 -1 3 3 207.12 10.57 -1 3 3 220.69 11.17 -1 3 3 207.14 10.60 1 -3 -2 626.48 26.75 -1 3 2 607.46 26.77 1 -3 -2 610.34 27.26 -1 3 2 576.98 26.54 1 -3 -2 590.96 27.40 -1 3 2 633.64 27.34 -1 3 2 573.78 26.98 -1 3 2 605.48 27.21 -1 3 1 5681.58 246.59 1 -3 -1 6005.15 246.90 1 -3 -1 5817.45 247.19 -1 3 1 5735.16 246.72 -1 3 1 5771.03 247.11 -1 3 1 5796.53 247.01 -1 3 1 5765.61 247.08 1 -3 -1 5870.62 247.35 -1 3 0 6832.78 296.48 1 -3 0 7136.03 297.41 -1 3 0 6950.72 296.89 -1 3 0 7141.89 296.94 1 -3 1 14.92 2.05 -1 3 -1 15.62 1.58 1 -3 1 15.21 1.71 1 -3 2 3274.64 137.71 1 -3 2 3184.38 137.37 -1 3 -2 3187.22 137.60 1 -3 2 3288.99 137.49 1 -3 2 3138.47 137.55 1 -3 3 187.60 9.19 -1 3 -3 194.24 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185.41 8.78 1 3 -5 189.58 9.25 -1 -3 5 172.94 9.12 1 3 -4 19.45 2.36 -1 -3 4 18.62 2.29 1 3 -3 2330.76 93.67 -1 -3 3 2167.73 93.39 -1 -3 3 2102.25 92.50 1 3 -2 72.79 3.71 -1 -3 2 77.54 4.16 -1 -3 2 66.20 4.52 1 3 -1 15.56 1.62 1 3 -1 17.12 1.73 1 3 -1 19.73 2.05 1 3 -1 14.17 0.87 -1 -3 1 14.76 1.77 -1 -3 1 17.84 2.14 1 3 0 7.14 1.38 -1 -3 0 10.36 1.76 -1 -3 0 8.84 1.79 1 3 0 6.57 1.70 -1 -3 -1 180.18 9.44 -1 -3 -1 191.90 9.90 -1 -3 -1 197.43 10.67 -1 -3 -2 210.61 10.40 -1 -3 -2 208.87 11.82 -1 -3 -3 13.00 1.67 -1 -3 -3 6.16 2.48 1 3 4 36.68 3.56 1 3 4 34.31 3.77 -1 -3 -4 34.43 4.00 1 3 5 10.82 2.22 -1 -3 -5 13.06 2.89 1 3 5 10.92 2.55 1 3 5 10.48 2.16 -1 -3 -6 121.46 6.96 1 3 6 119.26 8.79 1 3 6 130.50 8.05 1 3 6 123.52 7.90 -1 -3 -6 138.32 9.36 1 3 6 153.13 9.26 1 3 7 1.23 2.01 -1 -3 -7 0.17 1.34 1 3 7 -0.44 2.01 -1 -3 -7 -1.35 2.12 -1 -3 -7 1.02 0.91 1 3 8 273.01 15.22 -1 -3 -8 224.75 12.30 -1 -3 -8 263.48 11.89 -1 -3 -8 223.46 15.99 1 3 8 244.27 14.75 1 3 8 279.41 16.19 -1 -3 -8 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2.59 2 -7 -2 5.14 1.33 -2 7 2 3.33 2.08 2 -7 -2 4.47 0.96 2 -7 -2 6.46 2.18 2 -7 -2 2.89 1.94 2 -7 -2 5.49 1.08 2 -7 -1 184.22 10.67 2 -7 -1 174.19 10.72 2 -7 -1 174.24 11.49 2 -7 -1 190.49 8.84 -2 7 1 181.10 11.16 2 -7 0 3.11 2.01 2 -7 0 5.38 1.53 2 -7 0 6.06 1.97 -2 7 0 1.32 2.08 2 -7 0 5.32 1.09 2 -7 1 3.95 1.01 2 -7 1 2.19 1.78 2 -7 1 -0.73 1.48 2 -7 1 1.16 2.16 2 -7 1 3.64 1.08 2 -7 2 110.63 7.81 2 -7 2 104.87 6.47 2 -7 2 93.90 5.22 -2 7 -2 111.36 6.92 -2 7 -2 104.87 7.52 2 -7 3 96.04 6.99 -2 7 -3 96.85 7.34 -2 7 -3 99.74 6.42 2 -7 3 100.20 5.23 2 -7 3 98.89 5.18 -2 7 -4 133.58 9.18 2 -7 4 133.62 6.71 2 -7 4 135.02 6.77 2 -7 4 136.37 6.89 2 -7 4 138.61 8.78 -2 7 -5 2.36 2.00 2 -7 5 0.81 0.97 2 -7 5 1.76 0.91 2 -7 5 1.84 1.17 2 -7 5 0.31 1.71 2 -7 5 3.02 1.14 2 -7 6 8.42 1.48 2 -7 6 7.18 1.41 2 -7 6 8.54 1.19 2 -7 6 7.58 1.35 2 -7 6 9.11 2.21 2 -7 6 7.68 1.49 2 -7 6 6.98 1.10 -2 7 -6 5.06 2.08 2 -7 7 237.98 10.96 -2 7 -7 208.83 13.23 2 -7 7 227.45 10.86 2 -7 7 238.59 11.31 2 -7 7 234.14 11.26 2 -7 8 1.90 1.03 2 -7 8 3.53 1.38 2 -7 8 1.14 0.91 2 -7 8 3.17 1.32 2 -7 8 6.31 1.09 2 -7 8 3.67 1.35 2 -7 8 4.24 1.55 2 -7 9 27.83 2.58 2 -7 9 25.99 2.31 2 -7 9 28.66 2.56 2 -7 9 28.71 2.34 2 -7 9 26.63 2.49 2 -7 9 27.79 2.45 2 -7 10 6.48 1.43 2 -7 10 5.05 1.44 2 -7 10 3.73 1.27 2 -7 10 4.99 1.26 2 -7 11 109.23 5.68 2 -7 11 103.44 5.48 2 -7 12 0.87 0.99 2 -7 13 24.53 1.76 -2 6 12 39.25 2.11 2 -6 -11 67.59 4.04 -2 6 11 78.15 3.99 -2 6 11 73.04 3.90 -2 6 11 76.17 3.77 2 -6 -10 136.31 7.78 -2 6 10 151.73 7.57 -2 6 10 163.36 7.41 2 -6 -9 245.54 12.47 -2 6 9 256.58 11.81 2 -6 -8 230.45 11.63 2 -6 -8 218.01 14.87 2 -6 -7 508.64 28.60 2 -6 -7 538.00 25.21 2 -6 -7 528.70 24.16 2 -6 -7 547.76 24.55 -2 6 7 620.45 29.50 -2 6 7 601.69 27.38 -2 6 7 547.32 27.93 -2 6 7 595.30 27.65 2 -6 -6 43.51 3.22 2 -6 -6 41.92 5.50 2 -6 -6 44.98 3.73 2 -6 -6 50.84 3.03 2 -6 -6 47.23 3.15 -2 6 6 54.74 6.06 -2 6 6 54.28 5.17 -2 6 6 47.18 4.85 2 -6 -5 1.76 1.50 2 -6 -5 1.47 1.70 2 -6 -5 2.13 1.07 -2 6 5 4.41 2.00 -2 6 5 4.64 2.64 2 -6 -5 3.27 1.09 2 -6 -5 5.20 2.57 -2 6 5 3.48 1.92 -2 6 4 4.57 1.80 2 -6 -4 6.13 1.44 2 -6 -4 2.57 2.04 2 -6 -4 5.37 1.09 2 -6 -4 6.26 1.15 2 -6 -4 6.59 2.45 -2 6 4 5.89 2.29 -2 6 4 6.53 2.55 2 -6 -4 6.36 1.91 2 -6 -3 18.77 3.29 2 -6 -3 21.05 3.38 -2 6 3 18.67 3.11 2 -6 -3 24.92 3.36 2 -6 -3 27.96 3.08 -2 6 3 15.90 2.40 -2 6 2 81.23 5.33 2 -6 -2 80.09 6.48 2 -6 -2 84.84 6.08 2 -6 -2 91.41 6.07 -2 6 2 83.66 6.35 2 -6 -1 4.75 1.85 2 -6 -1 4.76 1.81 -2 6 1 3.92 1.96 2 -6 -1 1.97 2.19 2 -6 0 717.64 33.92 2 -6 0 784.49 34.49 2 -6 1 19.78 3.20 2 -6 1 19.68 2.81 2 -6 1 13.08 2.15 2 -6 2 1053.04 45.23 -2 6 -2 963.63 44.82 -2 6 -2 952.90 43.82 2 -6 3 75.92 5.85 2 -6 3 77.40 5.52 -2 6 -3 67.70 4.68 -2 6 -3 70.85 5.77 2 -6 4 81.23 5.69 -2 6 -4 74.94 5.90 -2 6 -4 71.48 4.55 2 -6 5 211.33 11.54 2 -6 6 189.73 9.98 2 -6 6 168.21 8.26 2 -6 6 173.18 8.26 -2 6 -6 175.73 10.28 2 -6 6 169.00 8.45 2 -6 7 73.71 4.27 2 -6 7 76.68 4.18 2 -6 7 73.08 4.40 2 -6 7 72.02 4.01 2 -6 7 72.08 4.09 2 -6 7 66.66 4.11 -2 6 -7 72.25 5.83 2 -6 8 1232.02 53.11 2 -6 8 1289.27 53.39 2 -6 8 1184.38 52.95 2 -6 8 1212.25 53.23 2 -6 8 1208.57 53.21 2 -6 8 1249.19 53.29 2 -6 8 1205.71 53.13 2 -6 9 35.94 2.72 2 -6 9 37.48 2.96 2 -6 9 31.64 2.49 2 -6 9 32.68 2.74 2 -6 9 33.68 2.75 2 -6 9 35.18 2.75 2 -6 9 38.33 2.85 2 -6 10 33.54 2.54 2 -6 10 36.66 2.77 2 -6 10 33.97 2.73 -2 6 -10 30.36 2.38 2 -6 10 35.00 2.66 2 -6 10 34.53 2.72 2 -6 10 31.18 2.40 -2 6 -11 15.43 1.59 2 -6 11 13.45 1.74 2 -6 12 65.37 3.58 -2 6 -12 49.03 3.00 2 -6 13 1.87 0.80 -2 5 12 112.66 5.07 2 -5 -12 90.46 5.22 -2 5 11 78.05 4.20 -2 5 11 76.71 4.22 2 -5 -11 69.90 4.62 2 -5 -10 118.23 6.22 2 -5 -10 113.78 6.75 -2 5 9 66.18 6.50 2 -5 -9 74.46 4.99 -2 5 9 61.56 6.91 -2 5 9 77.38 7.43 2 -5 -9 67.16 4.22 2 -5 -9 55.10 6.78 -2 5 9 73.17 6.59 2 -5 -8 114.97 6.80 -2 5 8 100.71 9.06 2 -5 -8 110.53 6.01 -2 5 8 121.92 8.77 2 -5 -8 95.04 9.07 2 -5 -7 229.05 12.23 -2 5 7 264.49 13.75 2 -5 -7 261.94 15.64 2 -5 -7 243.09 11.70 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1 546.12 27.33 3 -8 1 596.10 28.39 3 -8 2 77.87 6.85 3 -8 2 70.46 4.29 3 -8 2 73.84 5.63 3 -8 2 67.91 4.04 3 -8 2 72.23 4.16 -3 8 -2 71.45 5.66 3 -8 2 71.73 4.17 3 -8 3 30.08 2.51 3 -8 3 37.72 4.37 -3 8 -3 32.06 3.47 -3 8 -3 28.23 4.37 3 -8 3 33.25 2.50 3 -8 3 32.72 2.46 3 -8 4 93.00 5.35 3 -8 4 104.99 7.60 3 -8 4 93.06 5.27 3 -8 4 95.31 5.35 3 -8 4 105.20 5.33 3 -8 5 -0.36 1.98 3 -8 5 -1.04 1.20 3 -8 5 0.46 1.13 3 -8 5 1.05 1.02 3 -8 5 -0.51 1.12 3 -8 5 -0.39 1.12 3 -8 6 1.54 0.87 3 -8 6 0.23 1.13 3 -8 6 0.78 0.85 3 -8 6 0.40 1.15 3 -8 6 2.91 1.39 3 -8 6 2.69 1.94 3 -8 7 285.75 13.30 3 -8 7 302.46 13.77 3 -8 7 274.02 13.53 3 -8 7 284.15 13.20 3 -8 7 287.67 13.72 3 -8 8 -0.57 0.94 3 -8 8 0.14 1.31 3 -8 8 1.31 1.14 3 -8 8 1.51 1.29 3 -8 8 0.41 0.97 3 -8 9 140.48 7.31 3 -8 9 134.92 7.13 3 -8 9 140.73 7.27 3 -8 9 139.97 7.35 3 -8 9 139.03 6.98 3 -8 10 17.69 1.86 3 -8 10 13.64 1.68 3 -8 10 15.06 1.62 3 -8 10 16.21 1.87 3 -8 11 6.78 1.11 3 -8 11 7.72 1.26 3 -8 12 30.85 2.06 -3 7 11 57.84 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91.15 5.15 4 4 1 85.80 7.38 -4 -4 -1 90.50 4.69 -4 -4 -1 76.40 5.25 -4 -4 -1 90.92 5.34 -4 -4 -1 80.84 4.82 -4 -4 -1 91.87 7.57 4 4 2 15.05 3.23 -4 -4 -2 14.19 2.16 -4 -4 -2 17.66 2.10 4 4 2 16.55 3.49 -4 -4 -2 17.61 3.63 -4 -4 -2 16.15 1.84 4 4 3 94.96 7.53 4 4 3 74.60 7.12 4 4 3 77.26 6.79 -4 -4 -3 72.62 4.97 -4 -4 -3 79.31 4.85 4 4 3 76.10 7.02 -4 -4 -3 86.68 4.78 4 4 3 83.18 4.59 -4 -4 -4 8.87 1.77 -4 -4 -4 8.98 1.64 4 4 4 9.40 1.47 -4 -4 -4 12.20 1.57 -4 -4 -5 40.93 2.86 4 4 5 43.34 2.82 -4 -4 -5 44.06 2.81 -4 -4 -5 37.47 2.94 4 4 6 6.58 1.13 -4 -4 -7 34.24 2.08 4 4 7 30.24 1.98 -4 -5 15 15.14 1.38 -4 -5 15 16.72 1.38 -4 -5 14 17.69 1.76 -4 -5 14 15.07 1.72 -4 -5 13 10.68 1.28 -4 -5 13 13.56 1.83 -4 -5 13 13.39 1.52 -4 -5 13 9.72 1.56 -4 -5 12 123.34 6.15 -4 -5 12 109.33 6.38 -4 -5 12 116.62 6.04 -4 -5 11 17.82 2.20 -4 -5 11 15.52 2.01 -4 -5 11 15.87 2.15 -4 -5 11 16.53 2.00 -4 -5 11 15.59 1.70 -4 -5 11 16.99 1.63 -4 -5 10 33.75 2.87 -4 -5 10 38.48 3.35 -4 -5 10 39.81 3.35 -4 -5 10 42.08 3.26 -4 -5 10 38.45 3.46 -4 -5 10 36.96 2.87 -4 -5 10 38.09 2.88 -4 -5 9 112.52 6.02 -4 -5 9 106.47 5.77 -4 -5 9 115.78 6.06 -4 -5 9 114.49 6.30 -4 -5 9 114.36 6.62 -4 -5 9 123.90 6.69 -4 -5 9 128.73 6.70 -4 -5 9 123.54 6.47 -4 -5 9 111.70 6.58 -4 -5 9 106.31 6.04 -4 -5 9 121.18 5.92 -4 -5 9 124.84 6.33 -4 -5 8 16.41 2.25 -4 -5 8 16.41 2.07 -4 -5 8 17.74 2.29 -4 -5 8 16.62 2.07 -4 -5 8 14.36 1.82 -4 -5 8 20.43 2.42 -4 -5 8 14.97 2.17 -4 -5 8 17.51 2.06 -4 -5 8 19.06 1.96 -4 -5 8 18.53 2.04 -4 -5 8 13.13 1.58 -4 -5 8 18.29 1.91 -4 -5 8 17.56 1.89 -4 -5 7 283.10 13.26 -4 -5 7 253.47 13.13 -4 -5 7 253.70 13.10 -4 -5 7 264.12 13.06 -4 -5 7 305.77 13.37 -4 -5 7 305.83 13.85 -4 -5 7 281.97 13.79 -4 -5 7 304.52 13.57 -4 -5 7 318.11 13.81 -4 -5 7 298.81 13.52 -4 -5 7 322.81 16.58 -4 -5 7 291.30 13.52 -4 -5 7 255.22 13.12 -4 -5 7 306.59 13.86 -4 -5 7 297.00 13.42 -4 -5 6 21.77 2.01 -4 -5 6 23.74 2.13 -4 -5 6 22.57 2.16 -4 -5 6 23.90 2.46 -4 -5 6 20.90 2.28 4 5 -6 25.34 3.62 -4 -5 6 23.01 2.13 -4 -5 6 25.46 3.86 -4 -5 5 124.10 6.74 -4 -5 5 123.70 6.64 -4 -5 5 141.55 7.40 -4 -5 5 122.56 6.76 -4 -5 5 143.53 7.42 -4 -5 5 125.71 7.15 -4 -5 5 128.42 6.91 -4 -5 5 148.34 7.51 -4 -5 5 150.83 7.45 4 5 -5 129.04 9.48 4 5 -5 136.79 9.30 -4 -5 5 143.22 7.01 -4 -5 4 18.95 2.88 -4 -5 4 20.43 3.57 -4 -5 4 16.33 1.80 -4 -5 4 18.63 1.70 -4 -5 4 19.23 1.79 -4 -5 4 20.55 1.96 -4 -5 4 16.64 2.28 -4 -5 4 19.21 2.29 -4 -5 4 19.96 1.84 4 5 -4 12.38 3.12 4 5 -4 21.85 3.15 -4 -5 4 17.57 2.29 -4 -5 4 17.90 2.22 -4 -5 4 14.48 1.79 -4 -5 4 13.79 1.52 -4 -5 4 16.12 1.60 -4 -5 4 20.37 2.31 -4 -5 3 35.52 4.57 -4 -5 3 37.48 4.02 -4 -5 3 23.02 2.29 -4 -5 3 35.90 2.29 -4 -5 3 31.06 2.36 -4 -5 3 37.56 2.64 -4 -5 3 29.05 3.00 -4 -5 3 31.64 2.87 -4 -5 3 35.82 2.95 -4 -5 3 31.29 2.48 -4 -5 3 30.79 2.98 4 5 -3 24.97 4.10 -4 -5 3 33.39 2.80 -4 -5 3 32.98 2.35 -4 -5 3 29.40 2.29 -4 -5 2 14.19 2.98 -4 -5 2 10.84 3.10 -4 -5 2 13.99 1.66 -4 -5 2 16.30 1.82 -4 -5 2 14.07 1.68 -4 -5 2 15.77 2.14 4 5 -2 12.77 3.14 -4 -5 2 14.10 2.06 -4 -5 2 13.95 1.68 -4 -5 2 14.60 1.59 -4 -5 2 16.58 1.73 4 5 -1 105.44 8.16 -4 -5 1 105.71 6.15 -4 -5 1 126.65 6.49 -4 -5 1 123.97 7.17 -4 -5 1 129.46 7.06 -4 -5 1 123.49 8.87 -4 -5 1 125.02 6.48 -4 -5 1 117.97 6.65 -4 -5 0 332.71 15.18 4 5 0 324.88 17.77 -4 -5 0 345.48 15.43 -4 -5 0 279.15 14.57 -4 -5 0 344.33 15.03 -4 -5 0 328.27 15.81 -4 -5 0 364.57 15.73 -4 -5 0 322.97 18.10 -4 -5 0 326.60 15.08 4 5 1 1992.27 93.60 4 5 1 2184.82 94.11 -4 -5 -1 2156.51 90.91 4 5 1 2135.15 94.28 -4 -5 -1 2089.29 90.14 -4 -5 -1 2180.46 94.21 -4 -5 -1 2047.01 90.57 -4 -5 -2 -0.60 1.19 -4 -5 -2 -0.94 1.53 -4 -5 -2 -1.09 1.36 -4 -5 -3 1.02 1.08 -4 -5 -3 0.61 1.24 -4 -5 -3 0.43 1.38 -4 -5 -4 11.56 1.70 4 5 4 13.31 1.41 -4 -5 -4 15.28 1.65 4 5 5 148.97 7.03 -4 -5 -5 165.92 7.22 -4 -5 -5 156.45 7.37 4 5 6 38.58 2.25 -4 -5 -6 51.42 2.62 -4 -6 15 1.79 0.73 -4 -6 15 1.92 0.59 -4 -6 14 6.36 1.15 -4 -6 13 28.68 2.02 -4 -6 13 26.25 2.25 -4 -6 12 43.45 2.89 -4 -6 12 45.62 3.06 -4 -6 11 47.45 3.33 -4 -6 11 46.76 3.45 -4 -6 11 46.69 3.31 -4 -6 11 41.59 3.24 -4 -6 11 50.05 3.45 -4 -6 11 43.59 2.88 -4 -6 10 94.10 5.23 -4 -6 10 86.87 5.36 -4 -6 10 93.03 5.13 -4 -6 10 84.45 5.26 -4 -6 10 89.94 5.24 -4 -6 10 86.40 4.68 -4 -6 10 82.76 4.78 -4 -6 10 83.23 4.71 -4 -6 9 339.09 16.19 -4 -6 9 334.21 15.95 -4 -6 9 371.22 16.27 -4 -6 9 337.74 16.35 -4 -6 9 360.40 16.62 -4 -6 9 386.88 16.99 -4 -6 9 354.28 16.87 -4 -6 9 329.24 16.19 -4 -6 9 365.91 16.65 -4 -6 9 367.59 16.94 -4 -6 9 378.50 16.92 -4 -6 9 351.24 16.87 -4 -6 9 372.79 16.45 -4 -6 8 236.08 11.83 -4 -6 8 236.81 11.70 -4 -6 8 255.48 11.96 -4 -6 8 241.45 12.16 -4 -6 8 244.95 12.51 -4 -6 8 261.57 12.19 -4 -6 8 261.80 12.54 -4 -6 8 252.33 12.12 -4 -6 8 230.27 11.85 -4 -6 8 261.44 12.30 -4 -6 8 261.77 12.60 -4 -6 8 285.90 12.70 -4 -6 8 255.15 12.55 -4 -6 8 266.08 12.09 -4 -6 7 131.88 7.12 -4 -6 7 114.14 6.36 -4 -6 7 132.29 6.64 -4 -6 7 129.20 6.94 -4 -6 7 127.15 7.15 -4 -6 7 120.57 6.58 -4 -6 7 127.89 6.83 -4 -6 7 126.26 9.41 -4 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128.59 7.02 -4 -7 5 114.30 6.44 -4 -7 5 132.67 6.69 -4 -7 5 123.08 6.30 -4 -7 5 107.56 6.39 -4 -7 5 137.62 6.75 -4 -7 4 50.10 4.17 -4 -7 4 54.24 3.66 -4 -7 4 53.42 4.06 -4 -7 4 48.09 3.55 -4 -7 4 53.07 3.78 -4 -7 4 54.78 3.80 -4 -7 4 46.99 3.34 -4 -7 3 224.89 11.57 -4 -7 3 231.10 11.08 -4 -7 3 219.64 10.64 -4 -7 3 234.32 10.70 -4 -7 3 218.62 10.71 -4 -7 3 239.46 11.10 -4 -7 3 224.64 11.18 -4 -7 2 48.86 3.79 -4 -7 2 41.07 2.94 -4 -7 2 46.39 3.38 -4 -7 2 37.82 3.01 -4 -7 2 39.06 2.93 -4 -7 2 51.92 3.36 -4 -7 2 40.12 3.31 -4 -7 1 72.22 4.05 -4 -7 1 73.29 4.38 -4 -7 1 80.54 4.24 -4 -7 1 70.78 4.71 -4 -7 1 63.17 3.80 -4 -7 1 76.81 4.24 -4 -7 1 67.50 4.13 -4 -7 0 3.78 1.12 -4 -7 0 2.72 1.18 -4 -7 0 3.10 1.11 -4 -7 0 1.68 1.49 -4 -7 -1 5.50 0.95 -4 -7 -1 2.81 0.98 -4 -7 -1 2.68 1.08 -4 -7 -1 3.23 1.36 -4 -7 -2 167.42 8.18 -4 -7 -2 171.26 8.05 -4 -7 -3 2.24 0.76 -4 -7 -3 2.63 0.80 -4 -7 -3 1.91 0.76 -4 -7 -4 37.80 1.92 -4 -7 -4 29.94 1.89 -4 -8 13 0.33 0.65 -4 -8 12 44.21 2.76 -4 -8 11 2.37 1.09 -4 -8 11 3.41 1.15 -4 -8 11 5.05 0.91 -4 -8 10 0.46 1.13 -4 -8 10 -0.79 1.07 -4 -8 10 0.69 1.20 -4 -8 10 1.07 0.89 -4 -8 9 108.96 5.40 -4 -8 9 103.88 5.77 -4 -8 9 104.72 5.80 -4 -8 9 99.33 5.13 -4 -8 8 8.07 1.82 -4 -8 8 8.91 1.34 -4 -8 8 10.39 1.39 -4 -8 8 5.70 1.29 -4 -8 8 9.58 1.84 -4 -8 8 9.02 1.51 -4 -8 8 7.33 1.65 -4 -8 8 8.94 1.30 -4 -8 7 0.28 1.44 -4 -8 7 0.65 1.26 -4 -8 7 0.42 1.05 -4 -8 7 -1.63 1.21 -4 -8 7 2.05 1.22 -4 -8 7 5.72 1.26 -4 -8 7 1.11 1.14 -4 -8 7 1.00 1.53 -4 -8 7 1.13 1.40 -4 -8 7 -0.40 0.95 -4 -8 6 14.19 2.10 -4 -8 6 13.53 2.07 -4 -8 6 11.77 1.72 -4 -8 6 15.58 1.78 -4 -8 6 11.00 2.02 -4 -8 6 11.84 1.58 -4 -8 5 3.35 1.58 -4 -8 5 5.82 1.71 -4 -8 5 3.58 1.58 -4 -8 5 3.97 1.23 -4 -8 5 2.97 1.25 -4 -8 4 21.66 2.15 -4 -8 4 27.92 2.41 -4 -8 4 25.40 2.57 -4 -8 4 25.66 2.28 -4 -8 4 26.64 2.53 -4 -8 3 0.22 1.16 -4 -8 3 0.95 1.08 -4 -8 3 2.33 1.09 -4 -8 3 0.83 1.55 -4 -8 3 0.63 1.01 -4 -8 3 1.74 1.26 -4 -8 2 4.22 1.30 -4 -8 2 6.63 1.29 -4 -8 2 5.80 1.68 -4 -8 2 5.06 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9.23 1.45 5 -12 4 164.93 8.16 5 -12 4 172.57 8.33 5 -12 5 37.89 2.57 5 -12 5 36.47 2.53 5 -12 5 43.36 2.74 5 -12 6 1.24 0.85 5 -12 6 -0.24 0.88 5 -12 6 -0.08 0.81 5 -12 7 -0.29 0.83 5 -12 7 0.91 0.83 5 -12 7 0.68 0.64 5 -12 8 218.40 9.87 5 -11 -8 36.01 1.86 5 -11 -8 31.47 1.77 5 -11 -7 40.16 2.34 5 -11 -7 33.06 2.09 5 -11 -6 -0.46 0.98 5 -11 -6 -0.35 0.72 5 -11 -5 129.31 6.56 5 -11 -5 123.24 6.19 5 -11 -4 235.43 11.34 5 -11 -3 52.00 3.62 5 -11 -3 53.49 3.31 5 -11 -2 167.59 8.53 5 -11 -2 165.42 8.18 5 -11 -1 1.96 1.19 5 -11 -1 2.27 1.53 5 -11 -1 0.90 1.02 5 -11 0 4.45 1.28 5 -11 0 4.45 1.40 5 -11 1 54.11 3.51 5 -11 1 53.24 3.65 5 -11 2 15.63 1.86 5 -11 2 13.36 1.83 5 -11 2 10.96 1.52 5 -11 3 -0.36 1.28 5 -11 3 0.84 1.22 5 -11 3 0.53 1.23 5 -11 3 0.55 0.99 5 -11 4 19.20 1.98 5 -11 4 20.48 2.02 5 -11 4 18.67 2.01 5 -11 4 24.04 2.22 5 -11 5 1.83 1.07 5 -11 5 0.38 0.90 5 -11 5 1.52 1.24 5 -11 5 -1.11 1.21 5 -11 5 2.30 1.29 5 -11 5 1.75 1.15 5 -11 6 34.57 2.47 5 -11 6 29.74 2.37 5 -11 6 27.33 2.26 5 -11 6 32.52 2.54 5 -11 6 29.28 2.32 5 -11 7 1.36 1.05 5 -11 7 1.77 1.08 5 -11 7 1.33 0.85 5 -11 7 1.56 1.01 5 -11 8 78.43 4.14 5 -11 8 83.47 4.23 5 -11 8 70.36 4.02 5 -11 9 25.75 1.72 5 -11 9 29.10 1.84 5 -11 9 26.07 1.72 5 -10 -9 27.34 1.84 5 -10 -8 -0.63 1.00 5 -10 -7 15.23 1.35 5 -10 -7 13.75 1.81 5 -10 -6 141.24 6.76 5 -10 -6 133.09 7.27 5 -10 -6 135.00 6.90 5 -10 -5 97.43 5.47 5 -10 -5 106.91 5.28 5 -10 -4 -0.11 1.02 5 -10 -4 1.26 0.98 5 -10 -3 36.16 2.55 5 -10 -3 29.74 4.79 5 -10 -3 31.77 2.60 5 -10 -2 153.76 7.66 5 -10 -2 139.88 7.27 5 -10 -2 149.93 7.33 -5 10 2 156.48 10.95 5 -10 -2 151.13 10.31 5 -10 -2 137.36 10.01 5 -10 -1 144.47 10.32 5 -10 -1 141.00 9.97 5 -10 -1 156.21 7.77 5 -10 -1 165.74 11.56 5 -10 -1 136.66 7.22 -5 10 1 161.46 11.06 5 -10 -1 153.80 7.55 5 -10 0 676.90 31.07 5 -10 0 639.93 31.36 5 -10 0 664.67 32.54 5 -10 0 581.79 27.91 5 -10 0 613.75 27.81 -5 10 0 669.64 32.09 5 -10 0 638.79 27.51 5 -10 1 332.58 19.53 5 -10 1 343.26 15.09 5 -10 1 316.71 15.27 -5 10 -1 367.23 19.58 5 -10 1 335.27 18.14 5 -10 2 84.23 6.85 5 -10 2 82.46 4.81 5 -10 2 85.11 7.48 5 -10 2 88.50 4.97 5 -10 2 96.32 5.22 5 -10 3 67.47 4.16 5 -10 3 66.80 4.12 5 -10 3 60.59 5.57 5 -10 3 65.77 4.06 5 -10 3 56.43 6.00 5 -10 3 61.19 4.04 5 -10 3 75.36 4.37 5 -10 4 24.34 2.29 5 -10 4 22.32 2.19 5 -10 4 23.37 2.16 5 -10 4 20.13 2.17 5 -10 4 20.33 2.19 5 -10 4 22.25 2.22 5 -10 5 70.06 4.14 5 -10 5 70.99 4.20 5 -10 5 60.60 3.84 5 -10 5 67.27 4.20 5 -10 5 65.26 4.26 5 -10 5 68.06 4.12 5 -10 6 214.64 10.17 5 -10 6 215.84 10.09 5 -10 6 201.52 9.95 5 -10 6 200.90 10.19 5 -10 7 1.80 1.20 5 -10 7 3.65 1.11 5 -10 7 3.38 1.02 5 -10 7 2.76 1.33 5 -10 7 3.58 1.35 5 -10 7 2.58 0.96 5 -10 8 29.76 2.23 5 -10 8 30.27 2.25 5 -10 8 29.58 2.36 5 -10 8 27.99 2.32 5 -10 9 8.01 1.21 5 -10 9 8.55 1.08 5 -10 9 9.26 1.17 5 -10 10 34.35 1.94 5 -10 10 32.14 1.93 5 -9 -10 19.06 1.42 5 -9 -9 65.13 3.58 5 -9 -8 158.78 7.71 5 -9 -7 8.89 1.28 5 -9 -7 9.86 1.60 5 -9 -7 9.95 1.49 5 -9 -6 114.89 6.13 5 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7.02 5 -9 3 77.23 4.35 5 -9 3 85.92 4.89 5 -9 3 94.48 4.98 5 -9 4 21.15 1.91 5 -9 4 29.78 2.39 5 -9 4 26.31 2.32 5 -9 4 30.27 2.46 5 -9 4 22.18 3.86 5 -9 4 22.58 2.33 5 -9 5 13.10 2.89 5 -9 5 12.42 1.87 5 -9 5 11.01 1.52 5 -9 5 15.84 1.81 5 -9 5 12.18 1.54 5 -9 5 18.83 1.98 5 -9 5 12.70 1.78 5 -9 6 3.54 1.08 5 -9 6 4.00 1.29 5 -9 6 5.39 1.21 5 -9 6 5.13 1.34 5 -9 6 4.64 1.46 5 -9 7 90.88 4.76 5 -9 7 85.04 4.94 5 -9 7 88.64 5.01 5 -9 7 91.17 5.18 5 -9 7 81.08 4.66 5 -9 7 84.48 5.08 5 -9 8 1.43 1.06 5 -9 8 0.87 0.99 5 -9 8 1.27 1.12 5 -9 8 1.68 0.94 5 -9 9 5.65 1.02 5 -9 9 5.98 1.17 5 -9 9 6.71 1.31 5 -9 9 7.75 1.31 5 -9 10 32.99 2.06 5 -9 10 27.52 1.91 5 -9 10 29.74 1.89 5 -9 10 27.00 1.99 5 -9 11 22.82 1.42 -5 8 11 38.73 2.33 5 -8 -9 6.15 1.81 -5 8 9 6.86 1.04 5 -8 -9 5.71 1.40 5 -8 -8 47.18 3.15 5 -8 -8 42.13 3.71 5 -8 -7 256.89 11.72 5 -8 -7 222.47 14.77 -5 8 7 214.74 14.73 5 -8 -7 252.92 12.45 5 -8 -6 102.77 5.41 5 -8 -6 99.15 5.54 5 -8 -6 81.06 8.01 5 -8 -6 99.64 6.14 5 -8 -5 12.79 3.13 5 -8 -5 6.75 1.83 5 -8 -5 9.20 3.18 5 -8 -5 9.35 1.47 5 -8 -5 6.38 1.41 5 -8 -5 9.06 1.38 5 -8 -4 12.27 3.33 5 -8 -4 15.62 2.19 5 -8 -4 16.11 3.15 5 -8 -4 11.29 1.59 5 -8 -4 14.59 1.64 5 -8 -4 12.76 1.67 -5 8 4 10.96 2.90 5 -8 -3 125.55 6.91 5 -8 -3 129.68 8.88 5 -8 -3 128.78 6.57 5 -8 -3 124.95 6.27 5 -8 -3 124.21 6.43 -5 8 3 118.75 9.00 -5 8 3 132.05 9.43 5 -8 -2 12.55 3.64 5 -8 -2 16.03 1.98 5 -8 -2 13.79 3.00 5 -8 -2 17.29 3.20 5 -8 -2 21.48 1.94 5 -8 -2 15.98 1.57 5 -8 -2 15.24 1.64 -5 8 2 13.74 3.29 5 -8 -1 86.96 4.99 5 -8 -1 81.13 7.38 5 -8 -1 80.84 4.53 5 -8 -1 89.82 4.87 5 -8 -1 82.26 6.66 5 -8 -1 85.58 6.83 5 -8 0 106.40 5.53 5 -8 0 113.38 6.05 5 -8 0 109.99 8.05 5 -8 0 100.88 8.34 5 -8 1 7.92 1.47 5 -8 1 8.03 2.66 5 -8 1 8.57 1.47 5 -8 1 4.45 1.11 5 -8 1 6.45 2.38 5 -8 2 79.46 6.92 5 -8 2 85.78 4.80 5 -8 2 75.80 6.73 5 -8 2 93.21 4.95 5 -8 3 648.31 33.22 5 -8 3 706.20 30.60 5 -8 3 693.35 30.64 5 -8 3 690.04 33.37 5 -8 4 6.89 1.26 5 -8 4 4.98 1.21 5 -8 4 5.33 1.27 5 -8 4 3.79 1.19 5 -8 4 8.11 2.59 5 -8 5 1.64 0.87 5 -8 5 1.38 1.09 5 -8 5 1.02 1.82 5 -8 5 0.68 0.90 5 -8 6 11.01 1.59 5 -8 6 8.17 1.49 5 -8 7 38.97 2.84 5 -8 7 36.89 2.79 5 -8 8 12.65 1.51 5 -8 8 8.38 1.62 5 -8 8 9.92 1.74 5 -8 8 10.40 1.59 5 -8 9 6.44 1.27 5 -8 9 4.14 1.30 5 -8 9 8.45 1.30 5 -8 10 1.88 0.95 5 -8 10 1.70 0.88 5 -8 10 1.71 0.83 5 -8 10 1.55 0.75 5 -8 11 2.21 0.58 5 -8 11 4.23 0.77 5 -7 -12 35.64 2.54 -5 7 12 39.55 2.28 5 -7 -12 38.03 2.28 -5 7 11 67.82 3.67 5 -7 -11 71.64 4.34 5 -7 -11 66.11 3.81 -5 7 10 103.82 5.53 5 -7 -10 107.90 5.72 5 -7 -10 116.53 6.46 5 -7 -9 9.51 1.66 -5 7 9 9.98 1.44 5 -7 -9 8.25 2.06 5 -7 -8 0.13 1.25 -5 7 8 1.28 0.95 -5 7 8 3.67 2.29 -5 7 8 1.56 2.12 5 -7 -8 0.38 1.70 5 -7 -8 0.47 1.70 5 -7 -7 98.43 5.62 5 -7 -7 101.57 5.58 5 -7 -7 87.45 8.21 -5 7 7 103.17 8.62 -5 7 7 105.18 5.43 5 -7 -7 109.65 6.38 5 -7 -6 147.27 11.12 -5 7 6 143.61 7.52 5 -7 -6 164.10 7.83 5 -7 -6 167.71 10.65 5 -7 -6 168.51 8.67 5 -7 -5 2.21 1.77 5 -7 -5 3.20 2.28 5 -7 -5 1.96 1.36 5 -7 -5 2.49 2.35 5 -7 -5 1.06 0.94 5 -7 -5 3.25 1.10 5 -7 -4 37.07 2.94 5 -7 -4 31.57 2.41 5 -7 -4 34.11 2.49 5 -7 -4 33.67 2.39 -5 7 4 35.45 4.30 5 -7 -4 37.56 4.28 5 -7 -4 41.81 4.55 5 -7 -3 122.98 9.47 5 -7 -3 131.33 6.98 5 -7 -3 128.93 6.56 5 -7 -3 138.05 6.67 -5 7 3 124.27 8.93 5 -7 -3 130.01 8.81 5 -7 -2 72.17 4.37 5 -7 -2 70.97 4.05 5 -7 -2 78.86 4.25 5 -7 -2 71.93 6.67 -5 7 2 80.48 6.50 5 -7 -1 280.99 13.06 5 -7 -1 288.22 16.11 5 -7 0 58.80 5.73 5 -7 1 23.60 2.02 5 -7 1 32.40 4.11 5 -7 1 33.18 2.31 5 -7 1 26.92 3.84 5 -7 1 30.60 2.36 5 -7 2 6.27 1.15 5 -7 2 5.35 1.21 5 -7 2 7.07 2.24 5 -7 3 347.94 18.76 5 -7 3 366.20 16.52 5 -7 3 377.28 19.45 5 -7 3 361.35 18.69 5 -7 4 116.31 5.90 5 -7 4 113.08 8.40 5 -7 4 110.25 7.98 5 -7 5 4.49 1.31 5 -7 5 4.41 1.28 5 -7 5 3.68 2.19 5 -7 6 19.35 2.07 5 -7 6 18.79 2.12 -5 7 -6 18.08 1.83 5 -7 7 32.39 2.71 5 -7 7 32.90 2.51 -5 7 -7 26.15 2.33 5 -7 8 121.54 6.27 -5 7 -8 112.61 5.95 5 -7 8 112.76 6.23 5 -7 9 1.37 1.19 5 -7 9 -0.29 0.98 5 -7 9 0.68 1.14 5 -7 9 -0.32 1.06 -5 7 -9 -0.61 0.84 -5 7 -10 19.42 1.56 5 -7 10 21.82 1.86 5 -7 11 14.59 1.17 5 -6 -13 14.12 1.49 5 -6 -12 59.18 3.43 -5 6 12 63.69 3.47 5 -6 -12 58.75 3.94 -5 6 12 59.76 3.41 5 -6 -11 43.55 3.55 5 -6 -11 44.36 3.01 -5 6 11 45.03 2.99 5 -6 -10 1.07 1.20 5 -6 -10 2.08 1.86 -5 6 10 -1.16 1.06 5 -6 -10 -0.69 1.27 -5 6 9 1.44 1.11 -5 6 9 0.48 2.02 -5 6 9 3.67 2.46 5 -6 -9 0.80 1.76 5 -6 -9 1.12 1.27 -5 6 9 -0.85 1.82 5 -6 -9 0.48 1.25 5 -6 -8 17.38 2.02 -5 6 8 24.28 4.06 -5 6 8 18.15 3.68 -5 6 8 19.75 1.94 5 -6 -8 19.01 2.04 5 -6 -8 20.83 2.72 5 -6 -8 13.98 3.37 5 -6 -7 59.96 3.88 5 -6 -7 67.63 6.63 -5 6 7 55.99 6.07 -5 6 7 64.99 3.82 -5 6 7 71.33 6.43 5 -6 -7 70.71 4.62 -5 6 6 69.05 6.10 5 -6 -6 52.43 5.98 -5 6 6 59.20 3.60 5 -6 -6 74.31 4.48 5 -6 -6 62.43 3.74 5 -6 -6 77.20 6.16 5 -6 -6 42.77 4.86 5 -6 -6 69.04 3.85 5 -6 -5 223.51 10.55 5 -6 -5 199.14 9.81 5 -6 -5 210.90 9.81 5 -6 -5 208.24 12.19 5 -6 -5 207.17 9.91 -5 6 5 224.25 12.55 -5 6 4 13.38 2.75 5 -6 -4 12.14 2.61 -5 6 3 491.27 24.15 5 -6 -3 494.61 24.13 5 -6 -2 56.71 5.47 5 -6 -1 175.67 10.34 5 -6 -1 178.99 10.96 5 -6 0 98.40 6.90 5 -6 0 91.95 6.84 5 -6 1 300.26 15.89 5 -6 1 298.36 15.84 5 -6 2 14.95 2.85 5 -6 2 14.57 2.50 5 -6 2 14.31 1.57 5 -6 3 185.09 8.54 5 -6 3 191.17 11.13 -5 6 -3 165.43 8.49 5 -6 3 185.16 8.76 -5 6 -4 5.28 1.07 5 -6 4 3.34 1.90 5 -6 5 39.55 3.04 -5 6 -5 47.64 3.01 5 -6 5 40.09 4.67 5 -6 6 11.29 1.79 -5 6 -6 9.68 1.52 5 -6 6 6.50 2.36 5 -6 7 0.82 1.25 -5 6 -7 2.10 1.22 5 -6 8 0.78 1.27 -5 6 -8 1.67 1.11 5 -6 9 79.34 4.59 -5 6 -9 75.70 4.38 5 -6 9 80.55 4.54 5 -6 9 79.20 4.50 5 -6 9 74.98 4.19 5 -6 10 25.44 1.99 5 -6 10 23.27 1.98 -5 6 -10 22.59 1.85 -5 6 -11 0.98 0.56 5 -5 -14 11.77 1.26 5 -5 -13 3.74 1.40 5 -5 -13 3.12 0.91 -5 5 13 5.91 1.07 5 -5 -12 75.38 5.02 -5 5 12 80.05 4.50 5 -5 -12 78.95 4.37 -5 5 12 80.76 4.37 5 -5 -11 31.18 2.48 5 -5 -11 28.33 3.21 -5 5 11 27.91 2.44 -5 5 10 145.10 7.41 -5 5 10 137.88 10.53 5 -5 -10 140.77 8.13 -5 5 10 140.10 10.43 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5.52 6 -13 4 106.83 5.43 6 -13 5 43.82 2.35 6 -13 5 40.89 2.35 6 -13 6 154.00 7.06 6 -12 -6 0.58 0.60 6 -12 -6 0.43 0.47 6 -12 -6 0.47 0.68 6 -12 -5 43.79 2.49 6 -12 -5 43.83 2.70 6 -12 -4 0.77 0.86 6 -12 -3 4.42 1.01 6 -12 -2 16.57 1.69 6 -12 -1 9.09 1.21 6 -12 -1 11.42 1.56 6 -12 0 11.03 1.47 6 -12 0 11.07 1.59 6 -12 1 2.93 1.13 6 -12 2 34.20 2.53 6 -12 2 36.49 2.66 6 -12 2 33.38 2.56 6 -12 3 0.39 1.08 6 -12 3 0.51 0.96 6 -12 3 0.09 0.92 6 -12 4 2.26 0.96 6 -12 4 2.46 1.04 6 -12 4 0.80 0.85 6 -12 5 0.16 0.86 6 -12 5 -0.15 0.74 6 -12 5 -0.23 0.88 6 -12 6 186.17 8.22 6 -12 6 163.80 7.92 6 -12 6 189.75 8.28 6 -12 6 164.96 7.99 6 -12 7 1.39 0.65 6 -12 7 0.70 0.71 6 -11 -8 109.43 5.12 6 -11 -7 0.68 0.56 6 -11 -6 207.64 9.66 6 -11 -6 208.39 9.55 6 -11 -5 8.43 1.25 6 -11 -4 113.65 5.98 6 -11 -4 123.90 6.03 6 -11 -3 192.36 9.40 6 -11 -3 180.07 9.00 6 -11 -3 185.30 8.83 6 -11 -2 -0.28 1.40 6 -11 -2 1.33 0.98 6 -11 -2 0.59 1.08 6 -11 -2 -0.85 0.98 6 -11 -1 16.61 2.06 6 -11 -1 15.63 1.80 6 -11 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95.62 5.37 6 -10 7 97.19 5.17 6 -10 7 103.45 5.45 6 -10 7 104.93 5.30 6 -10 8 71.63 4.04 6 -10 8 75.18 3.82 6 -10 8 80.09 4.08 6 -10 8 67.53 3.78 6 -10 9 39.05 2.00 6 -10 9 25.87 1.73 -6 9 11 21.04 1.33 6 -9 -11 20.50 1.47 6 -9 -10 44.70 2.61 6 -9 -10 46.60 2.93 6 -9 -9 27.09 2.08 6 -9 -9 29.71 2.54 6 -9 -8 -0.19 0.98 6 -9 -8 1.15 1.50 6 -9 -7 1.42 1.13 6 -9 -7 2.07 1.61 6 -9 -6 13.18 1.65 6 -9 -6 10.75 2.00 6 -9 -6 14.99 1.87 -6 9 5 299.08 17.98 6 -9 -5 285.65 18.75 6 -9 -5 336.34 15.72 6 -9 -5 330.39 14.96 6 -9 -5 333.59 15.02 6 -9 -5 317.70 15.10 6 -9 -5 343.74 18.64 6 -9 -4 -0.41 2.03 6 -9 -4 -0.58 2.44 6 -9 -4 0.16 1.46 6 -9 -4 0.59 0.96 6 -9 -4 -0.12 1.10 6 -9 -4 0.46 1.13 -6 9 4 -0.49 2.15 6 -9 -3 0.85 1.92 6 -9 -3 -0.58 2.42 6 -9 -3 -0.95 1.41 6 -9 -3 -0.28 0.95 6 -9 -3 0.13 1.17 6 -9 -3 -0.34 1.10 -6 9 3 0.49 2.14 6 -9 -2 231.79 15.44 6 -9 -2 245.97 11.93 6 -9 -2 230.20 14.29 6 -9 -2 227.86 14.28 6 -9 -2 247.84 11.23 6 -9 -2 242.87 11.69 6 -9 -2 242.73 11.47 -6 9 2 238.03 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35.56 4.71 6 -8 2 40.27 2.89 6 -8 3 10.91 1.58 6 -8 3 8.09 2.60 6 -8 3 10.20 1.46 6 -8 4 69.99 3.78 6 -8 4 58.91 3.80 6 -8 5 38.52 2.91 6 -8 5 44.01 3.10 6 -8 6 54.12 3.45 6 -8 6 64.74 3.85 6 -8 7 52.54 3.18 6 -8 7 51.42 3.40 6 -8 8 258.46 11.27 6 -8 8 247.02 11.23 6 -8 8 229.48 11.29 6 -8 8 222.33 11.01 6 -8 9 12.52 1.34 6 -8 9 10.11 1.18 6 -8 9 8.99 1.30 6 -8 9 10.79 1.17 6 -8 10 -0.15 0.63 6 -7 -13 0.62 0.57 6 -7 -12 2.60 1.13 6 -7 -12 4.74 0.96 6 -7 -11 51.52 3.03 -6 7 11 44.88 2.82 6 -7 -11 43.38 3.32 6 -7 -10 -0.11 1.12 -6 7 10 -0.40 0.94 6 -7 -10 0.53 1.19 6 -7 -10 0.98 1.55 6 -7 -9 2.54 1.26 -6 7 9 2.28 1.09 6 -7 -9 0.69 1.27 6 -7 -9 2.51 1.79 6 -7 -8 143.42 8.16 6 -7 -8 124.36 10.39 -6 7 8 153.62 10.93 -6 7 8 142.02 7.35 6 -7 -8 160.25 7.70 6 -7 -7 203.15 9.92 6 -7 -7 206.18 13.72 -6 7 7 204.20 13.12 -6 7 7 189.66 9.64 6 -7 -7 211.48 12.81 6 -7 -7 220.19 10.61 6 -7 -6 0.33 1.12 -6 7 6 2.67 1.91 -6 7 6 0.98 0.87 6 -7 -6 0.50 1.43 6 -7 -6 2.17 2.33 6 -7 -6 1.96 1.99 6 -7 -6 0.42 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117.66 6.18 -6 7 -8 0.47 0.93 6 -7 8 1.58 1.20 6 -7 9 197.79 9.69 -6 7 -9 193.70 9.49 6 -7 9 206.87 9.45 6 -6 -13 9.69 1.07 6 -6 -13 9.14 1.35 6 -6 -12 3.94 1.45 6 -6 -12 5.18 1.15 -6 6 12 3.51 1.02 6 -6 -11 0.99 1.64 -6 6 11 0.65 1.12 6 -6 -11 -0.72 1.17 6 -6 -10 300.82 15.12 6 -6 -10 313.29 14.47 6 -6 -10 302.40 14.44 -6 6 10 324.38 14.53 6 -6 -9 23.66 2.93 6 -6 -9 21.90 4.08 -6 6 9 23.19 3.53 6 -6 -9 28.32 2.50 6 -6 -9 30.73 2.51 -6 6 9 26.30 4.46 -6 6 9 27.22 2.35 6 -6 -8 47.37 3.29 6 -6 -8 43.28 5.80 6 -6 -8 51.25 3.98 6 -6 -8 54.93 3.42 -6 6 8 46.05 5.63 -6 6 8 47.54 3.27 -6 6 7 138.36 10.03 -6 6 7 137.30 7.17 6 -6 -7 141.10 7.28 6 -6 -7 148.24 7.90 6 -6 -7 166.80 10.10 6 -6 -7 142.88 7.28 -6 6 6 164.71 10.82 -6 6 6 160.98 8.11 6 -6 -6 165.48 8.70 6 -6 -6 163.78 8.07 6 -6 -6 175.61 10.74 6 -6 -6 178.18 8.30 -6 6 5 76.88 6.21 6 -6 -5 78.92 4.52 6 -6 -5 70.82 4.04 6 -6 -5 71.71 5.90 6 -6 -5 67.11 4.01 -6 6 5 64.74 5.87 -6 6 4 13.54 2.48 -6 6 4 12.87 2.52 6 -6 -4 5.36 2.04 6 -6 -4 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343.48 20.34 8 -8 -2 392.26 16.77 -8 8 2 347.08 19.46 8 -8 -1 40.93 5.16 8 -8 -1 44.55 3.19 8 -8 -1 32.33 4.73 8 -8 0 15.65 3.40 8 -8 0 15.18 2.00 -8 8 0 11.88 1.58 -8 8 -1 7.58 1.55 8 -8 1 10.67 1.66 8 -8 1 6.44 2.54 -8 8 -1 7.77 1.42 -8 8 -2 12.36 1.67 8 -8 2 9.10 1.55 8 -8 2 13.81 3.28 -8 8 -2 9.78 1.54 -8 8 -3 64.17 3.89 -8 8 -3 63.05 3.77 8 -8 4 27.82 2.49 -8 8 -4 29.40 2.34 -8 8 -5 5.86 1.17 8 -8 5 10.84 1.64 -8 8 -6 151.53 7.23 8 -8 7 49.98 2.54 -8 8 -7 34.83 2.22 8 -8 8 8.56 0.92 8 -7 -13 9.44 0.87 8 -7 -12 33.57 2.16 8 -7 -12 41.31 2.21 8 -7 -11 137.96 6.53 8 -7 -11 124.92 6.40 8 -7 -11 127.65 6.63 8 -7 -10 2.09 1.07 8 -7 -10 3.49 1.29 8 -7 -10 2.68 1.25 8 -7 -9 23.04 2.20 8 -7 -9 19.66 1.99 8 -7 -9 17.00 2.13 8 -7 -8 201.66 9.37 8 -7 -8 176.06 9.43 8 -7 -8 200.70 9.40 -8 7 7 481.36 26.01 -8 7 7 494.47 22.88 8 -7 -7 569.37 26.43 8 -7 -7 529.20 23.23 8 -7 -7 490.71 22.84 8 -7 -7 532.93 23.07 -8 7 6 1.98 1.19 8 -7 -6 1.69 1.82 8 -7 -6 1.46 1.18 8 -7 -6 3.85 1.35 8 -7 -6 3.84 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40.85 2.48 10 -9 2 43.31 2.78 10 -9 3 0.91 0.91 10 -9 4 50.03 2.65 10 -9 4 41.95 2.59 10 -9 5 6.41 0.71 10 -8 -11 78.56 4.10 10 -8 -11 100.76 4.38 10 -8 -10 36.49 2.34 10 -8 -10 42.17 2.52 10 -8 -9 16.72 1.63 10 -8 -9 18.55 1.78 10 -8 -8 22.70 1.93 10 -8 -8 25.57 2.06 10 -8 -7 1.64 1.11 -10 8 7 0.54 1.06 10 -8 -7 0.11 1.01 10 -8 -6 73.18 4.23 -10 8 6 69.07 4.25 10 -8 -6 68.93 4.25 10 -8 -5 162.67 8.23 -10 8 5 164.89 8.38 10 -8 -5 164.45 8.33 10 -8 -4 46.95 3.25 10 -8 -4 44.91 3.33 10 -8 -3 -1.29 1.32 -10 8 3 -0.27 1.30 -10 8 2 62.20 3.96 10 -8 -2 55.95 3.81 -10 8 1 52.85 3.53 10 -8 -1 47.29 3.36 -10 8 0 0.23 1.06 -10 8 0 -0.34 1.14 10 -8 0 -0.75 1.06 -10 8 -1 28.54 2.20 -10 8 -1 26.70 2.29 -10 8 -2 3.13 1.06 10 -8 3 1.44 1.02 -10 8 -3 1.96 0.90 10 -8 4 10.80 1.21 -10 8 -4 8.55 1.03 10 -8 5 5.58 0.73 10 -8 5 4.07 0.77 -10 7 12 4.72 0.76 10 -7 -12 6.05 0.83 10 -7 -11 111.61 5.53 -10 7 11 115.41 5.80 10 -7 -10 1.68 1.01 -10 7 10 3.39 1.07 10 -7 -10 1.91 0.84 -10 7 9 116.95 6.39 10 -7 -9 134.48 6.40 10 -7 -9 132.32 6.53 10 -7 -8 353.18 15.35 -10 7 8 321.33 15.29 10 -7 -8 325.82 15.29 10 -7 -8 342.97 15.43 10 -7 -7 0.74 1.07 -10 7 7 1.32 1.26 10 -7 -7 0.35 1.13 10 -7 -6 3.25 1.26 -10 7 6 2.23 1.39 10 -7 -5 4.64 1.32 -10 7 5 6.04 1.61 10 -7 -4 8.06 1.58 -10 7 3 22.65 2.45 -10 7 2 236.41 11.50 -10 7 1 32.66 2.72 -10 7 1 29.50 2.62 10 -7 -1 30.24 2.58 -10 7 0 107.18 6.06 -10 7 0 113.15 5.94 10 -7 0 110.40 5.85 -10 7 -1 140.36 6.99 -10 7 -1 141.87 7.31 -10 7 -2 12.72 1.66 -10 7 -3 13.63 1.55 10 -7 3 11.85 1.50 -10 7 -4 1.57 0.83 10 -7 4 1.52 0.82 -10 7 -5 4.48 0.71 10 -7 5 8.50 0.83 -10 6 13 16.24 1.61 -10 6 13 41.24 1.92 -10 6 12 13.16 1.49 10 -6 -12 14.62 1.27 -10 6 11 22.54 2.05 10 -6 -11 22.42 1.80 10 -6 -10 7.23 1.35 -10 6 10 6.68 1.43 10 -6 -10 7.38 1.06 -10 6 9 101.93 5.53 10 -6 -9 88.42 5.08 10 -6 -9 107.57 5.40 10 -6 -9 101.23 5.12 -10 6 8 3.00 1.25 -10 6 8 1.27 1.18 10 -6 -8 3.14 1.09 -10 6 7 168.36 8.56 -10 6 7 167.24 8.65 10 -6 -7 179.61 8.47 -10 6 6 95.70 5.56 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-11 9 3 20.89 2.07 11 -9 -3 19.93 1.91 -11 9 2 10.95 1.53 11 -9 -2 12.57 1.54 11 -9 -2 11.72 1.49 -11 9 1 22.91 2.01 11 -9 -1 23.38 1.91 -11 9 0 23.26 1.82 11 -9 1 41.05 2.43 -11 9 -1 34.75 2.08 11 -9 1 37.85 2.32 11 -9 2 6.23 0.85 11 -9 2 4.35 0.78 11 -8 -11 2.03 0.59 11 -8 -10 5.04 0.91 11 -8 -10 4.20 0.68 11 -8 -9 95.01 4.71 11 -8 -9 89.45 4.54 11 -8 -8 94.62 4.57 11 -8 -8 90.13 4.42 11 -8 -7 1.21 0.98 11 -8 -7 3.27 1.16 -11 8 7 0.87 1.05 11 -8 -7 0.67 0.93 11 -8 -6 16.13 1.80 -11 8 6 16.11 1.76 11 -8 -6 14.83 1.65 11 -8 -5 5.88 1.38 -11 8 5 4.87 1.45 11 -8 -5 6.06 1.29 11 -8 -4 -0.23 1.24 -11 8 4 -0.12 1.22 11 -8 -4 1.19 1.14 -11 8 3 8.31 1.52 11 -8 -3 5.93 1.34 11 -8 -2 22.18 2.00 -11 8 2 17.70 1.96 11 -8 -1 1.00 1.05 -11 8 1 3.09 1.13 -11 8 0 27.31 2.02 11 -8 1 2.38 0.96 11 -8 2 8.61 1.11 11 -8 3 8.92 0.90 -11 7 12 0.16 0.59 11 -7 -11 1.27 0.66 11 -7 -10 -0.13 0.86 11 -7 -9 4.01 1.08 11 -7 -9 3.58 0.85 11 -7 -9 3.23 0.86 -11 7 8 4.64 1.18 11 -7 -8 5.70 1.05 11 -7 -8 5.49 1.27 11 -7 -8 5.45 1.19 -11 7 7 6.29 1.41 11 -7 -7 5.00 1.13 11 -7 -7 5.80 1.39 -11 7 6 3.24 1.34 11 -7 -6 1.97 1.09 11 -7 -6 2.29 1.28 11 -7 -5 24.60 2.09 -11 7 4 15.23 1.94 11 -7 -4 15.71 1.74 -11 7 3 27.78 2.41 11 -7 -3 20.62 2.18 -11 7 2 18.79 1.90 11 -7 -2 14.08 1.80 -11 7 1 0.40 1.05 11 -7 -1 -0.37 0.94 -11 7 0 12.33 1.37 -11 7 0 11.16 1.55 11 -7 1 -0.48 0.96 -11 7 -1 1.25 0.93 11 -7 2 0.06 0.75 -11 7 -2 0.57 0.76 11 -7 3 0.85 0.52 -11 6 12 -0.36 0.62 -11 6 12 -0.42 0.85 11 -6 -12 0.80 0.48 -11 6 11 5.26 1.03 11 -6 -11 6.71 0.94 -11 6 10 79.05 4.53 11 -6 -10 94.09 4.53 -11 6 9 69.75 4.02 11 -6 -9 67.32 3.89 11 -6 -9 79.77 4.06 -11 6 8 0.21 1.11 -11 6 8 0.29 0.98 11 -6 -8 1.23 0.82 11 -6 -7 8.62 1.24 -11 6 7 6.81 1.52 11 -6 -6 36.86 2.48 -11 6 6 32.69 2.84 11 -6 -5 21.35 1.92 -11 6 4 1.80 1.35 -11 6 3 69.32 4.28 -11 6 2 66.46 4.03 -11 6 1 0.12 1.23 -11 6 1 0.20 1.01 11 -6 -1 -0.82 0.91 -11 6 0 0.89 0.83 -11 6 0 0.98 1.12 -11 6 0 -0.70 0.86 -11 6 -1 54.65 3.34 11 -6 1 55.97 3.19 -11 6 -2 4.74 1.01 11 -6 2 4.66 0.82 -11 5 13 6.31 0.81 -11 5 12 2.76 0.92 -11 5 12 1.47 0.95 11 -5 -11 10.60 1.11 -11 5 11 9.31 1.39 -11 5 11 7.98 1.40 11 -5 -10 7.95 1.15 -11 5 10 7.00 1.38 11 -5 -10 6.49 1.00 -11 5 9 2.82 1.24 11 -5 -9 1.50 1.07 -11 5 8 25.93 2.33 -11 5 8 26.69 2.29 -11 5 7 3.00 1.33 -11 5 7 0.46 1.04 -11 5 7 2.15 1.15 11 -5 -6 0.66 0.84 -11 5 6 -1.00 1.12 -11 5 5 4.89 1.57 11 -5 -5 4.15 1.04 -11 5 4 1.29 1.34 -11 5 3 130.60 6.87 -11 5 2 197.52 9.58 -11 5 1 1.75 1.03 -11 5 1 1.93 1.27 -11 5 1 0.20 1.04 -11 5 0 6.54 1.40 -11 5 -1 9.35 1.36 11 -5 1 10.67 1.15 -11 5 -2 4.54 0.99 11 -5 2 3.58 0.58 -11 4 13 1.42 0.71 -11 4 12 27.56 2.06 -11 4 12 23.82 2.01 -11 4 11 4.60 1.32 -11 4 11 6.85 1.43 -11 4 10 22.42 2.17 -11 4 10 22.72 2.15 11 -4 -10 21.06 1.64 -11 4 9 14.95 1.66 -11 4 9 14.96 1.85 -11 4 9 14.06 1.81 -11 4 9 11.50 1.78 -11 4 8 1.30 1.22 -11 4 8 -0.36 1.15 -11 4 8 0.77 1.20 -11 4 7 49.35 3.43 -11 4 7 51.31 3.46 -11 4 7 47.64 3.24 -11 4 6 2.48 1.30 -11 4 5 5.52 1.63 -11 4 4 9.64 1.72 -11 4 3 2.36 1.32 -11 4 2 1.24 1.20 -11 4 2 0.83 1.14 -11 4 1 170.78 8.11 -11 4 1 160.83 7.99 -11 4 1 179.09 8.45 -11 4 0 16.39 1.70 11 -4 0 13.24 1.24 -11 4 -1 18.34 1.64 -11 4 -2 11.41 1.04 -11 3 13 33.81 2.25 -11 3 13 39.68 2.35 -11 3 12 5.25 1.16 -11 3 12 3.67 1.11 -11 3 11 -0.53 1.15 -11 3 11 0.53 1.10 -11 3 10 18.61 2.04 -11 3 10 26.25 2.31 -11 3 9 91.64 5.00 -11 3 9 96.32 5.17 -11 3 9 84.74 5.05 -11 3 9 92.72 5.28 -11 3 8 6.64 1.54 -11 3 8 7.38 1.63 -11 3 8 5.84 1.42 -11 3 8 8.24 1.69 -11 3 7 32.53 2.63 -11 3 7 32.71 2.78 -11 3 7 24.30 2.23 -11 3 7 29.07 2.61 -11 3 6 40.44 3.14 -11 3 6 37.70 3.02 -11 3 6 44.95 3.28 -11 3 5 59.30 3.83 -11 3 5 60.01 3.89 -11 3 5 50.06 3.52 -11 3 5 62.21 3.97 -11 3 4 0.12 1.17 -11 3 4 0.27 1.36 -11 3 3 83.74 4.64 -11 3 3 76.87 4.64 -11 3 2 46.49 2.99 -11 3 2 48.25 3.11 -11 3 1 60.42 3.53 -11 3 1 85.00 4.30 -11 3 0 158.12 7.68 -11 3 -1 7.76 1.04 -11 2 13 -0.27 0.80 -11 2 13 0.59 0.72 -11 2 12 6.50 1.26 -11 2 12 7.12 1.30 -11 2 11 11.74 1.60 -11 2 11 12.60 1.66 -11 2 10 75.27 4.39 -11 2 10 74.40 4.44 -11 2 9 49.60 3.29 -11 2 9 50.62 3.37 -11 2 9 50.51 3.42 -11 2 9 57.90 3.64 -11 2 8 28.70 2.40 -11 2 8 26.67 2.47 -11 2 8 22.95 2.17 -11 2 8 28.58 2.57 -11 2 7 15.42 1.84 -11 2 7 9.17 1.39 -11 2 6 6.93 1.60 -11 2 6 7.36 1.68 -11 2 6 6.20 1.57 -11 2 6 7.82 1.57 -11 2 5 14.14 1.81 -11 2 5 15.36 1.98 -11 2 5 11.87 1.66 -11 2 5 14.60 1.89 -11 2 4 39.35 2.86 -11 2 4 41.00 3.11 -11 2 4 40.28 2.99 -11 2 3 66.95 3.93 -11 2 3 70.77 4.09 -11 2 2 37.42 2.47 -11 2 2 38.35 2.53 -11 2 2 43.46 2.95 -11 2 1 99.84 5.24 -11 2 0 -0.20 0.77 -11 1 13 22.49 1.61 -11 1 12 14.58 1.49 -11 1 11 3.43 1.12 -11 1 11 3.18 1.13 -11 1 10 72.61 4.25 -11 1 10 78.58 4.41 -11 1 9 57.24 3.43 -11 1 9 52.94 3.40 -11 1 9 55.65 3.52 -11 1 8 9.03 1.52 -11 1 8 6.96 1.27 -11 1 8 10.08 1.61 -11 1 7 4.39 1.45 -11 1 7 2.09 1.30 -11 1 6 19.31 2.04 -11 1 6 20.73 2.18 -11 1 6 18.17 2.03 -11 1 6 22.87 2.23 -11 1 5 1.56 1.20 -11 1 5 3.56 1.47 -11 1 5 1.97 1.06 -11 1 5 2.54 1.34 -11 1 4 2.78 1.16 -11 1 4 2.05 1.13 -11 1 3 18.78 1.68 -11 1 3 19.88 1.99 -11 1 3 19.26 1.74 -11 1 2 3.65 1.17 -11 1 1 -0.58 0.81 -11 0 13 -0.46 0.56 -11 0 12 1.59 0.77 -11 0 11 47.46 3.02 -11 0 11 51.22 2.96 -11 0 10 6.17 1.22 -11 0 10 8.74 1.43 -11 0 9 5.11 1.17 -11 0 9 5.25 1.13 -11 0 9 7.32 1.46 -11 0 9 5.67 1.26 -11 0 8 -0.18 0.97 -11 0 8 0.85 0.85 -11 0 8 1.97 1.22 -11 0 7 3.12 1.15 -11 0 7 2.89 1.22 -11 0 7 1.59 1.17 -11 0 7 3.28 1.23 -11 0 6 3.95 1.22 -11 0 6 3.59 1.26 -11 0 6 3.28 1.23 -11 0 6 3.79 1.33 -11 0 5 7.08 1.25 -11 0 5 5.73 1.17 -11 0 5 5.86 1.27 -11 0 4 5.56 1.25 -11 0 4 6.22 1.06 -11 0 3 70.94 3.88 -11 0 2 0.62 0.70 -11 -1 11 3.15 0.79 -11 -1 10 0.61 0.71 -11 -1 10 0.63 0.91 -11 -1 9 7.06 1.28 -11 -1 9 6.69 0.98 -11 -1 8 2.28 0.95 -11 -1 8 2.07 1.07 -11 -1 7 0.07 0.82 -11 -1 7 -0.98 0.98 -11 -1 7 0.08 0.95 -11 -1 6 29.99 2.09 -11 -1 5 14.80 1.49 -11 -1 4 1.78 0.79 -11 -2 10 18.00 1.30 -11 -2 9 7.82 0.92 -11 -2 8 0.38 0.64 -11 -2 8 0.47 0.57 -11 -2 7 0.24 0.57 -11 -2 7 0.56 0.60 12 -11 -4 10.71 0.95 12 -11 -4 13.78 0.96 -12 11 3 2.15 0.60 12 -10 -7 2.03 0.53 12 -10 -7 1.80 0.52 12 -10 -6 6.78 0.79 12 -10 -6 6.61 0.83 12 -10 -6 4.52 0.78 -12 10 6 4.43 0.78 12 -10 -5 65.42 3.06 12 -10 -5 58.68 2.93 -12 10 5 57.51 3.10 12 -10 -4 1.72 0.79 12 -10 -4 2.91 0.77 12 -10 -3 20.48 1.43 -12 10 3 22.41 1.59 12 -10 -2 13.30 1.09 12 -10 -2 11.25 1.07 -12 10 2 11.16 1.10 12 -10 -1 3.94 0.63 12 -9 -9 7.83 0.76 12 -9 -8 0.82 0.50 12 -9 -7 181.60 7.76 12 -9 -7 157.42 7.75 -12 9 6 29.40 2.07 12 -9 -6 32.36 2.00 12 -9 -6 30.59 2.09 12 -9 -6 33.06 2.05 12 -9 -5 7.00 1.05 12 -9 -5 8.37 1.19 12 -9 -5 10.09 1.13 -12 9 4 0.55 0.89 12 -9 -4 0.63 0.80 -12 9 3 2.00 0.87 12 -9 -3 0.69 0.78 12 -9 -3 -0.07 0.84 -12 9 2 6.26 0.99 12 -9 -2 3.80 0.86 12 -9 -2 5.77 0.92 -12 9 1 6.49 0.82 12 -9 -1 6.93 0.93 12 -9 0 8.90 0.87 12 -8 -10 7.19 0.74 12 -8 -9 9.19 0.94 -12 8 9 1.85 0.61 12 -8 -8 2.02 0.70 12 -8 -8 1.07 0.80 12 -8 -8 1.28 0.57 12 -8 -7 3.42 0.80 12 -8 -7 3.07 0.96 12 -8 -7 3.31 0.95 -12 8 7 3.99 0.98 12 -8 -6 40.48 2.41 12 -8 -6 40.82 2.60 -12 8 6 38.07 2.61 12 -8 -5 23.99 2.02 12 -8 -5 28.85 1.96 12 -8 -4 5.35 1.02 -12 8 4 6.67 1.27 12 -8 -3 3.14 0.90 12 -8 -3 4.26 1.03 -12 8 3 2.73 1.06 12 -8 -2 1.16 0.78 12 -8 -2 1.91 0.85 -12 8 2 0.64 0.84 12 -8 -1 15.80 1.34 -12 8 1 14.92 1.22 12 -8 0 1.03 0.59 12 -8 0 -0.47 0.61 12 -8 1 1.26 0.44 12 -7 -10 11.22 0.95 -12 7 10 4.02 0.80 12 -7 -9 0.75 0.61 12 -7 -9 0.34 0.74 -12 7 9 -0.18 0.69 -12 7 8 3.48 0.83 12 -7 -8 7.72 1.09 -12 7 7 1.14 0.97 12 -7 -7 -0.33 0.91 12 -7 -7 1.16 0.69 -12 7 6 2.19 1.13 12 -7 -6 1.97 1.09 12 -7 -6 1.52 0.80 -12 7 5 37.32 2.58 12 -7 -5 31.50 2.42 12 -7 -5 34.32 2.21 -12 7 4 24.88 2.11 12 -7 -4 24.66 2.03 12 -7 -4 25.89 1.88 -12 7 3 6.46 1.23 12 -7 -3 6.26 1.14 12 -7 -3 7.59 1.11 -12 7 2 -0.07 0.82 12 -7 -2 0.26 0.74 -12 7 1 9.89 0.99 -12 7 1 8.09 0.99 12 -7 -1 10.24 1.11 12 -7 0 8.21 0.91 -12 6 11 1.03 0.71 -12 6 10 2.16 0.83 12 -6 -10 4.78 0.75 12 -6 -9 7.40 1.05 12 -6 -9 7.40 1.02 -12 6 9 4.26 0.98 12 -6 -8 5.16 1.01 12 -6 -8 3.32 0.99 -12 6 8 1.99 0.83 -12 6 8 3.29 1.08 -12 6 7 0.86 1.10 12 -6 -6 -0.17 0.66 -12 6 5 8.91 1.45 12 -6 -5 7.10 1.01 -12 6 4 45.86 3.01 12 -6 -4 46.12 2.66 12 -6 -3 0.73 0.90 -12 6 3 0.78 0.94 12 -6 -3 0.70 0.73 -12 6 2 3.32 1.02 -12 6 2 4.18 0.96 -12 6 1 0.27 0.57 12 -6 -1 -1.14 0.74 12 -6 0 2.04 0.55 -12 5 12 1.20 0.56 -12 5 11 8.46 1.09 -12 5 11 7.87 0.91 12 -5 -10 0.14 0.56 -12 5 10 0.76 0.73 -12 5 10 0.43 0.79 12 -5 -10 0.88 0.62 12 -5 -9 18.51 1.37 -12 5 9 10.54 1.34 -12 5 8 24.67 2.15 -12 5 8 24.85 2.03 -12 5 7 0.87 1.21 -12 5 7 -0.10 1.05 -12 5 6 8.69 1.58 -12 5 5 2.88 1.28 -12 5 5 2.32 1.15 -12 5 4 7.76 1.43 12 -5 -4 7.84 0.95 -12 5 4 6.80 1.33 -12 5 4 8.13 1.42 12 -5 -3 54.06 2.94 -12 5 3 57.41 3.29 -12 5 3 57.92 3.38 -12 5 2 57.93 3.00 -12 5 2 49.22 2.97 -12 5 1 31.10 2.12 12 -5 -1 27.17 1.64 -12 5 0 43.85 2.50 -12 4 12 0.29 0.56 -12 4 11 15.44 1.34 -12 4 11 12.61 1.28 -12 4 10 199.21 8.65 -12 4 10 170.23 8.50 -12 4 9 17.60 1.63 12 -4 -9 15.22 1.19 -12 4 9 15.08 1.48 -12 4 8 44.51 2.92 -12 4 8 40.61 2.75 -12 4 7 2.43 0.99 -12 4 6 66.19 3.96 -12 4 6 62.69 3.83 -12 4 5 8.10 1.46 -12 4 5 6.99 1.35 -12 4 5 8.81 1.42 -12 4 4 2.66 1.12 -12 4 4 1.66 1.15 -12 4 4 1.92 1.02 -12 4 3 70.62 4.00 -12 4 3 80.99 4.27 -12 4 3 75.15 3.99 -12 4 2 34.70 2.26 -12 4 2 49.06 2.37 -12 4 1 17.05 1.49 -12 3 12 0.88 0.58 -12 3 11 15.92 1.35 -12 3 10 63.24 3.41 -12 3 9 -0.52 0.76 -12 3 9 1.01 0.94 -12 3 9 0.23 0.85 -12 3 8 35.07 2.43 -12 3 8 30.73 2.23 -12 3 7 19.87 1.71 -12 3 6 124.30 6.10 -12 3 6 109.33 5.88 -12 3 5 93.70 5.11 -12 3 5 97.34 5.12 -12 3 5 100.15 5.10 -12 3 4 36.25 2.42 -12 3 4 34.49 2.50 -12 3 4 36.34 2.37 -12 3 3 3.08 0.83 -12 3 3 2.53 0.77 -12 3 2 2.17 0.89 -12 3 1 32.26 1.89 -12 2 11 18.22 1.49 -12 2 11 15.98 1.26 -12 2 10 44.11 2.50 -12 2 10 33.15 2.15 -12 2 9 5.85 1.17 -12 2 9 7.64 1.18 -12 2 9 6.74 1.08 -12 2 8 0.54 0.93 -12 2 8 0.43 0.95 -12 2 8 -0.31 0.88 -12 2 7 1.57 0.87 -12 2 7 2.16 1.11 -12 2 7 2.43 1.04 -12 2 6 98.31 5.33 -12 2 6 104.44 5.28 -12 2 6 107.78 5.30 -12 2 5 10.50 1.36 -12 2 5 11.37 1.42 -12 2 5 13.00 1.36 -12 2 4 83.65 4.51 -12 2 4 100.07 4.57 -12 2 3 59.85 3.26 -12 2 2 100.01 4.73 -12 1 11 10.13 0.98 -12 1 10 12.28 1.22 -12 1 9 0.52 0.77 -12 1 9 0.39 0.66 -12 1 8 8.02 1.05 -12 1 7 0.36 0.63 -12 1 7 0.06 0.79 -12 1 6 9.48 1.22 -12 1 6 13.71 1.24 -12 1 5 27.44 1.85 -12 1 5 25.01 1.66 -12 1 4 2.14 0.74 -13 9 5 1.44 0.55 13 -8 -7 5.61 0.71 -13 8 7 5.01 0.77 -13 8 7 6.48 0.77 13 -8 -6 11.35 1.06 13 -8 -6 13.26 1.06 -13 8 6 14.07 1.17 -13 8 5 0.39 0.69 -13 8 5 0.77 0.63 13 -8 -4 13.14 1.05 -13 8 4 13.82 1.15 -13 8 4 13.40 1.10 13 -7 -8 31.93 1.76 13 -7 -7 0.15 0.61 13 -7 -7 0.33 0.58 -13 7 7 0.58 0.69 -13 7 7 0.42 0.63 13 -7 -6 13.08 1.19 -13 7 5 17.70 1.53 -13 7 5 22.68 1.56 13 -7 -4 0.55 0.57 -13 7 4 1.69 0.68 -13 7 4 1.35 0.66 -13 6 8 1.56 0.68 13 -6 -8 0.69 0.56 13 -6 -8 0.89 0.49 -13 6 8 0.54 0.58 -13 6 7 0.06 0.70 13 -6 -7 0.08 0.54 13 -6 -7 -0.43 0.63 -13 6 7 -0.25 0.75 -13 6 6 3.35 0.87 13 -6 -6 5.21 0.86 -13 6 6 2.91 0.90 -13 6 5 15.10 1.28 13 -6 -5 13.76 1.21 -13 6 5 12.46 1.28 -13 6 4 3.86 0.75 13 -6 -4 3.46 0.69 -13 6 4 2.69 0.72 -13 5 8 6.37 0.88 13 -5 -8 6.18 0.82 -13 5 8 6.82 0.95 13 -5 -7 36.45 2.27 13 -5 -7 42.85 2.12 -13 5 6 51.48 2.86 -13 5 6 51.02 2.88 -13 5 5 41.86 2.24 -13 5 5 38.38 2.24 -13 5 4 8.29 0.83 -13 4 8 2.04 0.67 -13 4 8 1.45 0.70 -13 4 6 24.35 1.58 -13 4 6 20.77 1.58 -13 4 5 5.61 0.73 -13 4 5 6.75 0.79 -13 3 8 0.63 0.51 -13 3 8 0.53 0.52 -13 3 7 -0.50 0.52 -13 3 7 -0.28 0.57 0 0 0 0.00 0.00 TITL 17269_ZRA-807 in P-1 REM P-1 (#2 in standard setting) CELL 1.54184 10.601986 11.220471 13.001646 95.4095 112.4391 115.5983 ZERR 3.00 0.000262 0.000310 0.000236 0.0019 0.0021 0.0026 LATT 1 SFAC C H N O Br UNIT 45.00 33.00 3.00 9.00 3.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 94860 _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 O1 O 0.50163(11) 0.44490(8) 0.35835(8) 0.0285(2) Uani 1 1 d . . . . . O3 O 0.44566(12) 0.34264(9) 0.09945(8) 0.0326(2) Uani 1 1 d . . . . . O2 O 0.59199(12) 0.57495(9) 0.16957(9) 0.0336(2) Uani 1 1 d . . . . . N1 N 0.69987(12) 0.65851(10) 0.48610(9) 0.0218(2) Uani 1 1 d . . . . . C21 C 0.48339(14) 0.85343(12) 0.27232(10) 0.0228(2) Uani 1 1 d . . . . . C8 C 0.75947(14) 0.80445(12) 0.52429(10) 0.0219(2) Uani 1 1 d . . . . . C27 C 0.88349(14) 0.88342(12) 0.64755(10) 0.0223(2) Uani 1 1 d . . . . . C12 C 0.55455(14) 0.57032(12) 0.39182(10) 0.0225(2) Uani 1 1 d . . . . . C1 C 0.80053(15) 0.60161(12) 0.54211(11) 0.0234(2) Uani 1 1 d . . . . . H1A H 0.740270 0.501320 0.507434 0.028 Uiso 1 1 calc R . . . . H1B H 0.828936 0.621979 0.624599 0.028 Uiso 1 1 calc R . . . . C32 C 0.86509(15) 0.83663(12) 0.73998(11) 0.0238(2) Uani 1 1 d . . . . . H32 H 0.776251 0.752789 0.724240 0.029 Uiso 1 1 calc R . . . . C11 C 0.45953(14) 0.63692(12) 0.33206(10) 0.0233(2) Uani 1 1 d . . . . . H11 H 0.418750 0.656537 0.383614 0.028 Uiso 1 1 calc R . . . . C10 C 0.57048(14) 0.78031(12) 0.32720(10) 0.0224(2) Uani 1 1 d . . . . . H10 H 0.618379 0.764960 0.279871 0.027 Uiso 1 1 calc R . . . . C2 C 0.95008(15) 0.65917(12) 0.53021(11) 0.0238(2) Uani 1 1 d . . . . . C30 C 1.11124(15) 1.04170(13) 0.87935(11) 0.0274(3) Uani 1 1 d . . . . . H30 H 1.187843 1.093812 0.956507 0.033 Uiso 1 1 calc R . . . . C26 C 0.42452(16) 0.90847(13) 0.32955(11) 0.0279(3) Uani 1 1 d . . . . . H26 H 0.436941 0.898733 0.402474 0.034 Uiso 1 1 calc R . . . . C28 C 1.01632(15) 1.01085(12) 0.67307(11) 0.0248(3) Uani 1 1 d . . . . . H28 H 1.029701 1.042843 0.612453 0.030 Uiso 1 1 calc R . . . . C9 C 0.70054(14) 0.86418(12) 0.45060(10) 0.0230(2) Uani 1 1 d . . . . . H9 H 0.740611 0.959382 0.475990 0.028 Uiso 1 1 calc R . . . . C24 C 0.32866(16) 0.99343(14) 0.17181(12) 0.0310(3) Uani 1 1 d . . . . . H24 H 0.277578 1.040158 0.138508 0.037 Uiso 1 1 calc R . . . . C13 C 0.31499(15) 0.53650(12) 0.21657(11) 0.0252(3) Uani 1 1 d . . . . . C19 C 0.46670(16) 0.46912(13) 0.13589(11) 0.0278(3) Uani 1 1 d . . . . . C31 C 0.97944(16) 0.91545(13) 0.85497(11) 0.0260(3) Uani 1 1 d . . . . . H31 H 0.967664 0.883470 0.916009 0.031 Uiso 1 1 calc R . . . . C22 C 0.46341(16) 0.86955(13) 0.16352(11) 0.0281(3) Uani 1 1 d . . . . . H22 H 0.501945 0.833468 0.123627 0.034 Uiso 1 1 calc R . . . . C14 C 0.31812(16) 0.45979(12) 0.12641(11) 0.0282(3) Uani 1 1 d . . . . . C18 C 0.16772(16) 0.51420(13) 0.20054(12) 0.0302(3) Uani 1 1 d . . . . . H18 H 0.162619 0.562803 0.259427 0.036 Uiso 1 1 calc R . . . . C3 C 0.94774(17) 0.67380(14) 0.42460(12) 0.0297(3) Uani 1 1 d . . . . . H3 H 0.853874 0.653175 0.360957 0.036 Uiso 1 1 calc R . . . . C29 C 1.12853(15) 1.09001(13) 0.78851(11) 0.0276(3) Uani 1 1 d . . . . . H29 H 1.215503 1.175669 0.804923 0.033 Uiso 1 1 calc R . . . . C4 C 1.08535(18) 0.71917(14) 0.41382(13) 0.0350(3) Uani 1 1 d . . . . . H4 H 1.083279 0.728921 0.343045 0.042 Uiso 1 1 calc R . . . . C25 C 0.34739(16) 0.97783(14) 0.28013(12) 0.0315(3) Uani 1 1 d . . . . . H25 H 0.308430 1.013711 0.319732 0.038 Uiso 1 1 calc R . . . . C7 C 1.09210(17) 0.69286(15) 0.62457(13) 0.0341(3) Uani 1 1 d . . . . . H7 H 1.095427 0.685238 0.696054 0.041 Uiso 1 1 calc R . . . . C17 C 0.02850(17) 0.42135(14) 0.09899(13) 0.0367(3) Uani 1 1 d . . . . . H17 H -0.068257 0.407203 0.091213 0.044 Uiso 1 1 calc R . . . . C15 C 0.17755(17) 0.36879(13) 0.02368(12) 0.0343(3) Uani 1 1 d . . . . . H15 H 0.180940 0.320035 -0.036214 0.041 Uiso 1 1 calc R . . . . C16 C 0.03386(18) 0.35022(14) 0.00980(13) 0.0385(3) Uani 1 1 d . . . . . H16 H -0.058676 0.290147 -0.059247 0.046 Uiso 1 1 calc R . . . . C23 C 0.38635(17) 0.93913(15) 0.11349(12) 0.0328(3) Uani 1 1 d . . . . . H23 H 0.373692 0.949065 0.040574 0.039 Uiso 1 1 calc R . . . . C5 C 1.22498(18) 0.74976(14) 0.50795(14) 0.0362(3) Uani 1 1 d . . . . . H5 H 1.316337 0.778503 0.500062 0.043 Uiso 1 1 calc R . . . . C20 C 0.5849(2) 0.34295(15) 0.10794(13) 0.0379(3) Uani 1 1 d . . . . . H20A H 0.614652 0.385749 0.054080 0.057 Uiso 1 1 calc GR . . . . H20B H 0.563151 0.249034 0.089158 0.057 Uiso 1 1 calc GR . . . . H20C H 0.670014 0.394260 0.186259 0.057 Uiso 1 1 calc GR . . . . C6 C 1.22925(18) 0.73777(17) 0.61365(14) 0.0404(3) Uani 1 1 d . . . . . H6 H 1.323677 0.759693 0.677383 0.049 Uiso 1 1 calc R . . . . 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 O1 0.0319(5) 0.0158(4) 0.0300(5) 0.0066(3) 0.0114(4) 0.0088(4) O3 0.0434(5) 0.0206(4) 0.0289(5) 0.0048(4) 0.0147(4) 0.0150(4) O2 0.0397(5) 0.0213(4) 0.0382(5) 0.0053(4) 0.0224(4) 0.0116(4) N1 0.0265(5) 0.0161(5) 0.0221(5) 0.0067(4) 0.0112(4) 0.0103(4) C21 0.0244(6) 0.0168(5) 0.0236(6) 0.0063(4) 0.0108(5) 0.0081(5) C8 0.0258(6) 0.0171(5) 0.0236(6) 0.0061(4) 0.0136(5) 0.0098(5) C27 0.0263(6) 0.0187(5) 0.0239(6) 0.0066(4) 0.0123(5) 0.0127(5) C12 0.0271(6) 0.0189(5) 0.0226(5) 0.0078(4) 0.0145(5) 0.0099(5) C1 0.0291(6) 0.0183(5) 0.0243(6) 0.0090(4) 0.0126(5) 0.0127(5) C32 0.0274(6) 0.0179(5) 0.0255(6) 0.0076(4) 0.0128(5) 0.0106(5) C11 0.0265(6) 0.0195(6) 0.0227(6) 0.0069(4) 0.0120(5) 0.0103(5) C10 0.0270(6) 0.0185(5) 0.0221(6) 0.0068(4) 0.0128(5) 0.0108(5) C2 0.0294(6) 0.0162(5) 0.0271(6) 0.0068(4) 0.0142(5) 0.0118(5) C30 0.0289(6) 0.0225(6) 0.0235(6) 0.0042(5) 0.0080(5) 0.0116(5) C26 0.0353(7) 0.0285(6) 0.0266(6) 0.0123(5) 0.0180(5) 0.0177(5) C28 0.0294(6) 0.0201(6) 0.0263(6) 0.0086(5) 0.0158(5) 0.0111(5) C9 0.0277(6) 0.0166(5) 0.0241(6) 0.0063(4) 0.0131(5) 0.0101(5) C24 0.0299(6) 0.0304(7) 0.0330(7) 0.0134(5) 0.0114(5) 0.0178(6) C13 0.0282(6) 0.0174(5) 0.0256(6) 0.0109(5) 0.0108(5) 0.0088(5) C19 0.0391(7) 0.0196(6) 0.0207(6) 0.0055(4) 0.0131(5) 0.0127(5) C31 0.0341(6) 0.0230(6) 0.0237(6) 0.0099(5) 0.0143(5) 0.0155(5) C22 0.0337(7) 0.0278(6) 0.0234(6) 0.0076(5) 0.0135(5) 0.0163(5) C14 0.0337(7) 0.0174(5) 0.0256(6) 0.0086(5) 0.0103(5) 0.0094(5) C18 0.0311(7) 0.0266(6) 0.0330(7) 0.0159(5) 0.0138(6) 0.0145(5) C3 0.0363(7) 0.0282(6) 0.0291(6) 0.0098(5) 0.0176(6) 0.0178(6) C29 0.0270(6) 0.0199(6) 0.0298(6) 0.0057(5) 0.0133(5) 0.0076(5) C4 0.0478(8) 0.0317(7) 0.0391(7) 0.0155(6) 0.0298(7) 0.0219(6) C25 0.0359(7) 0.0317(7) 0.0361(7) 0.0124(6) 0.0203(6) 0.0211(6) C7 0.0328(7) 0.0355(7) 0.0331(7) 0.0157(6) 0.0163(6) 0.0150(6) C17 0.0295(7) 0.0286(7) 0.0434(8) 0.0204(6) 0.0100(6) 0.0123(6) C15 0.0415(8) 0.0186(6) 0.0274(6) 0.0069(5) 0.0069(6) 0.0113(5) C16 0.0354(7) 0.0221(6) 0.0342(7) 0.0106(5) 0.0011(6) 0.0087(6) C23 0.0382(7) 0.0356(7) 0.0255(6) 0.0138(5) 0.0134(6) 0.0202(6) C5 0.0376(7) 0.0281(7) 0.0518(9) 0.0161(6) 0.0288(7) 0.0164(6) C20 0.0531(9) 0.0312(7) 0.0361(7) 0.0094(6) 0.0227(7) 0.0254(7) C6 0.0305(7) 0.0430(8) 0.0454(8) 0.0193(7) 0.0171(6) 0.0163(6) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 '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 C19 O3 C20 114.82(11) . . ? C8 N1 C1 120.04(10) . . ? C12 N1 C8 121.47(10) . . ? C12 N1 C1 118.29(9) . . ? C26 C21 C10 121.40(11) . . ? C26 C21 C22 118.18(11) . . ? C22 C21 C10 120.41(11) . . ? N1 C8 C27 117.58(10) . . ? C9 C8 N1 119.94(11) . . ? C9 C8 C27 122.46(10) . . ? C32 C27 C8 121.03(11) . . ? C28 C27 C8 119.73(11) . . ? C28 C27 C32 119.12(11) . . ? O1 C12 N1 122.20(11) . . ? O1 C12 C11 121.75(11) . . ? N1 C12 C11 116.03(10) . . ? N1 C1 C2 113.25(10) . . ? C31 C32 C27 120.02(11) . . ? C12 C11 C10 110.53(10) . . ? C13 C11 C12 111.85(10) . . ? C13 C11 C10 115.72(10) . . ? C21 C10 C11 112.86(10) . . ? C9 C10 C21 112.67(10) . . ? C9 C10 C11 106.71(9) . . ? C3 C2 C1 121.28(11) . . ? C7 C2 C1 119.78(11) . . ? C7 C2 C3 118.88(12) . . ? C29 C30 C31 119.90(12) . . ? C21 C26 C25 121.34(12) . . ? C29 C28 C27 120.35(11) . . ? C8 C9 C10 121.25(10) . . ? C23 C24 C25 119.58(12) . . ? C14 C13 C11 124.57(12) . . ? C18 C13 C11 117.78(12) . . ? C18 C13 C14 117.59(12) . . ? O3 C19 C14 111.53(11) . . ? O2 C19 O3 122.41(13) . . ? O2 C19 C14 126.05(12) . . ? C32 C31 C30 120.39(11) . . ? C21 C22 C23 120.79(12) . . ? C13 C14 C19 122.56(11) . . ? C15 C14 C13 120.01(13) . . ? C15 C14 C19 117.42(12) . . ? C17 C18 C13 121.80(14) . . ? C4 C3 C2 120.21(13) . . ? C30 C29 C28 120.19(11) . . ? C5 C4 C3 120.15(13) . . ? C24 C25 C26 119.87(12) . . ? C6 C7 C2 120.85(13) . . ? C16 C17 C18 119.99(14) . . ? C16 C15 C14 121.02(14) . . ? C17 C16 C15 119.54(13) . . ? C24 C23 C22 120.24(12) . . ? C6 C5 C4 120.13(13) . . ? C5 C6 C7 119.76(14) . . ? 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 O1 C12 1.2249(14) . ? O3 C19 1.3444(15) . ? O3 C20 1.4363(19) . ? O2 C19 1.2089(16) . ? N1 C8 1.4284(15) . ? N1 C12 1.3667(16) . ? N1 C1 1.4697(15) . ? C21 C10 1.5155(16) . ? C21 C26 1.3877(18) . ? C21 C22 1.3896(17) . ? C8 C27 1.4829(16) . ? C8 C9 1.3354(17) . ? C27 C32 1.4027(17) . ? C27 C28 1.3969(17) . ? C12 C11 1.5295(17) . ? C1 C2 1.5087(17) . ? C32 C31 1.3884(17) . ? C11 C10 1.5546(16) . ? C11 C13 1.5182(17) . ? C10 C9 1.5054(16) . ? C2 C3 1.3903(18) . ? C2 C7 1.3878(19) . ? C30 C31 1.3879(18) . ? C30 C29 1.3865(19) . ? C26 C25 1.3893(18) . ? C28 C29 1.3890(18) . ? C24 C25 1.3843(19) . ? C24 C23 1.382(2) . ? C13 C14 1.4072(19) . ? C13 C18 1.3957(19) . ? C19 C14 1.488(2) . ? C22 C23 1.3934(19) . ? C14 C15 1.3986(18) . ? C18 C17 1.3898(19) . ? C3 C4 1.391(2) . ? C4 C5 1.380(2) . ? C7 C6 1.388(2) . ? C17 C16 1.378(2) . ? C15 C16 1.380(2) . ? C5 C6 1.379(2) . ?