#------------------------------------------------------------------------------ #$Date: 2024-04-11 03:52:19 +0300 (Thu, 11 Apr 2024) $ #$Revision: 291170 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/15/98/7159889.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_7159889 loop_ _publ_author_name 'Lukoyanov, Alexander A.' 'Aksenova, Svetlana' 'Tabolin, Andrey' 'Sukhorukov, Alexey Yu.' _publ_section_title ; 3-Halo-5,6-dihydro-4H-1,2-oxazine N-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3+2]-cycloaddition with arynes. Synthesis of substituted 3-vinyl-1,2-benzisoxazoles ; _journal_name_full 'Organic & Biomolecular Chemistry' _journal_paper_doi 10.1039/D4OB00391H _journal_year 2024 _chemical_formula_moiety 'C19 H18 Br N O3' _chemical_formula_sum 'C19 H18 Br N O3' _chemical_formula_weight 388.25 _chemical_melting_point 395.0(10) _chemical_properties_physical Heat-sensitive _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_date 2024-04-05 _audit_creation_method ; Olex2 1.5 (compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748) ; _audit_update_record ; 2024-04-08 deposited with the CCDC. 2024-04-10 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 92.3390(7) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.15719(7) _cell_length_b 16.71710(15) _cell_length_c 12.13404(8) _cell_measurement_reflns_used 15936 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 79.8150 _cell_measurement_theta_min 4.4770 _cell_volume 1653.27(2) _computing_cell_refinement 'CrysAlisPro 1.171.43.117a (Rigaku OD, 2024)' _computing_data_collection 'CrysAlisPro system (CCD 43.117a 64-bit (release 26-03-2024))' _computing_data_reduction 'CrysAlisPro 1.171.43.117a (Rigaku OD, 2024)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -48.00 -23.00 0.50 0.20 -- -93.75 45.00-150.00 50 2 \w -26.00 31.00 0.50 0.05 -- -44.88 19.00 -30.00 114 3 \w -72.00 29.00 0.50 0.05 -- -44.88 80.00 -9.00 202 4 \w -121.00 -20.00 0.50 0.20 -- -93.75 80.00 -9.00 202 5 \w -40.00 29.00 0.50 0.05 -- -44.88 38.00 90.00 138 6 \w 60.00 89.00 0.50 0.05 -- 44.88-125.00 60.00 58 7 \w 51.00 92.00 0.50 0.20 -- 115.25 -95.00 0.00 82 8 \w 47.00 73.00 0.50 0.20 -- 115.25-125.00 0.00 52 9 \w 53.00 109.00 0.50 0.20 -- 115.25-125.00 -60.00 112 10 \w 46.00 105.00 0.50 0.20 -- 115.25-125.00-150.00 118 11 \w 50.00 76.00 0.50 0.20 -- 115.25 -87.00 -45.65 52 12 \w 65.00 91.00 0.50 0.20 -- 115.25 -95.00 -60.00 52 13 \w 73.00 99.00 0.50 0.20 -- 115.25 -95.00 -30.00 52 14 \w 87.00 113.00 0.50 0.20 -- 115.25 -87.00 -45.65 52 15 \w 65.00 102.00 0.50 0.20 -- 115.25 -95.00 90.00 74 16 \w 86.00 115.00 0.50 0.20 -- 115.25 -85.00 81.16 58 17 \w -21.00 72.00 0.50 0.05 -- 44.88 -80.00-132.00 186 18 \w 43.00 138.00 0.50 0.20 -- 115.25 -80.00-132.00 190 19 \w 113.00 139.00 0.50 0.20 -- 115.25 -80.00-132.00 52 20 \w 44.00 71.00 0.50 0.20 -- 115.25 -61.00-180.00 54 21 \w 43.00 68.00 0.50 0.20 -- 115.25 -61.00 -90.00 50 22 \w 46.00 71.00 0.50 0.20 -- 115.25 -61.00 0.00 50 23 \w 46.00 72.00 0.50 0.20 -- 115.25 -77.00 60.00 52 24 \w 49.00 104.00 0.50 0.20 -- 115.25 -77.00 90.00 110 25 \w 48.00 104.00 0.50 0.20 -- 115.25 -77.00 150.00 112 26 \w 43.00 68.00 0.50 0.20 -- 115.25 -61.00 60.00 50 27 \w -24.00 2.00 0.50 0.05 -- 44.88 -19.00-180.00 52 28 \w 90.00 139.00 0.50 0.20 -- 115.25 15.00-120.00 98 29 \w 146.00 172.00 0.50 0.20 -- 115.25 77.00 -60.00 52 30 \w 101.00 129.00 0.50 0.20 -- 115.25 80.00 -9.00 56 31 \w 98.00 124.00 0.50 0.20 -- 115.25 61.00 -60.00 52 32 \w 97.00 123.00 0.50 0.20 -- 115.25 77.00 -60.00 52 33 \w 102.00 127.00 0.50 0.20 -- 115.25 61.00-120.00 50 34 \w 146.00 177.00 0.50 0.20 -- 115.25 61.00-120.00 62 35 \w 133.00 169.00 0.50 0.20 -- 115.25 30.00-180.00 72 36 \w 98.00 171.00 0.50 0.20 -- 115.25 45.00 -60.00 146 37 \w 101.00 157.00 0.50 0.20 -- 115.25 30.00 -60.00 112 38 \w 107.00 156.00 0.50 0.20 -- 115.25 45.00 -30.00 98 39 \w 93.00 150.00 0.50 0.20 -- 115.25 15.00 90.00 114 40 \w 101.00 176.00 0.50 0.20 -- 115.25 61.00 120.00 150 41 \w 140.00 173.00 0.50 0.20 -- 115.25 125.00 60.00 66 42 \w 96.00 123.00 0.50 0.20 -- 115.25 125.00 -60.00 54 43 \w 144.00 170.00 0.50 0.20 -- 115.25 125.00 -60.00 52 44 \w -167.00 -79.00 0.50 0.20 -- -93.75 -80.00-132.00 176 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.1448128000 _diffrn_orient_matrix_UB_12 -0.0261042000 _diffrn_orient_matrix_UB_13 -0.0771731000 _diffrn_orient_matrix_UB_21 -0.0971855000 _diffrn_orient_matrix_UB_22 0.0745630000 _diffrn_orient_matrix_UB_23 0.0336128000 _diffrn_orient_matrix_UB_31 0.0729415000 _diffrn_orient_matrix_UB_32 0.0474351000 _diffrn_orient_matrix_UB_33 -0.0951766000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0440 _diffrn_reflns_av_unetI/netI 0.0264 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 19247 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 80.103 _diffrn_reflns_theta_min 4.505 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 3.534 _exptl_absorpt_correction_T_max 0.664 _exptl_absorpt_correction_T_min 0.351 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.43.117a (Rigaku Oxford Diffraction, 2024) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.560 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 792 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: Hexane, Ethyl Acetate' _exptl_crystal_size_max 0.537 _exptl_crystal_size_mid 0.35 _exptl_crystal_size_min 0.205 _refine_diff_density_max 0.714 _refine_diff_density_min -0.914 _refine_diff_density_rms 0.093 _refine_ls_extinction_coef 0.0061(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.097 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 221 _refine_ls_number_reflns 3602 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.097 _refine_ls_R_factor_all 0.0340 _refine_ls_R_factor_gt 0.0337 _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^)+(0.0542P)^2^+1.3750P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0908 _refine_ls_wR_factor_ref 0.0910 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3575 _reflns_number_total 3602 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ob00391h2.cif _cod_data_source_block AL538 _cod_depositor_comments ; The following automatic conversions were performed: data item '_chemical_melting_point' value '394-396' was changed to '395.0(10)' -- the average value was taken and precision was estimated. Automatic conversion script Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas ; _cod_database_code 7159889 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula C19H18BrNO3 _chemical_oxdiff_usercomment AL538 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.531 _shelx_estimated_absorpt_t_min 0.253 _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 Secondary CH2 refined with riding coordinates: C9(H9A,H9B) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C14(H14), C15(H15), C17(H17), C18(H18) 2.c Idealised Me refined as rotating group: C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C19(H19A,H19B,H19C) ; _shelx_res_file ; TITL 24vdb_r25_faces_a.res in P2(1)/c 24vdb_r25_faces.res created by SHELXL-2018/3 at 18:04:34 on 05-Apr-2024 REM Old TITL 24vdb_r25_faces_a.res in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.064, Rweak 0.005, Alpha 0.031 REM 2.002 for 131 systematic absences, Orientation as input REM Formula found by SHELXT: Br C19 N O3 CELL 1.54184 8.15719 16.7171 12.13404 90 92.339 90 ZERR 4 0.00007 0.00015 0.00008 0 0.0007 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Br N O UNIT 76 72 4 4 12 L.S. 5 PLAN 5 SIZE 0.205 0.35 0.537 TEMP -173.15(10) CONF list 4 MORE -1 BOND $H fmap 2 acta REM REM REM WGHT 0.054200 1.375000 EXTI 0.006143 FVAR 0.64616 BR1 3 0.856611 0.467982 1.109814 11.00000 0.01468 0.01653 = 0.01588 -0.00362 -0.00062 -0.00197 O1 5 0.534857 0.301589 0.815657 11.00000 0.01103 0.01811 = 0.01612 -0.00204 0.00020 -0.00371 N1 4 0.946015 0.358121 0.893196 11.00000 0.01366 0.01471 = 0.01266 -0.00139 0.00113 0.00050 C1 1 0.663975 0.416588 1.055200 11.00000 0.01263 0.01372 = 0.01461 0.00248 -0.00149 0.00041 O2 5 1.027114 0.329019 0.798719 11.00000 0.01379 0.01551 = 0.01605 -0.00481 0.00349 -0.00191 C2 1 0.519303 0.423942 1.111504 11.00000 0.01592 0.01552 = 0.01627 0.00070 0.00240 0.00103 AFIX 43 H2 2 0.518325 0.451593 1.179873 11.00000 -1.20000 AFIX 0 O3 5 0.661714 0.488717 0.377517 11.00000 0.02089 0.02267 = 0.01342 0.00295 -0.00042 -0.00120 C3 1 0.375390 0.389881 1.065587 11.00000 0.01396 0.01926 = 0.02133 0.00349 0.00414 0.00201 AFIX 43 H3 2 0.276786 0.395208 1.103981 11.00000 -1.20000 AFIX 0 C4 1 0.370906 0.348491 0.965878 11.00000 0.01228 0.01705 = 0.02119 0.00284 -0.00071 -0.00110 AFIX 43 H4 2 0.271977 0.326087 0.935572 11.00000 -1.20000 AFIX 0 C5 1 0.517868 0.341541 0.912914 11.00000 0.01382 0.01187 = 0.01519 0.00265 -0.00165 -0.00048 C6 1 0.665135 0.374851 0.956310 11.00000 0.01206 0.01319 = 0.01408 0.00192 -0.00096 -0.00016 C7 1 0.789426 0.354542 0.878426 11.00000 0.01377 0.01128 = 0.01248 0.00059 -0.00093 0.00055 C8 1 0.703051 0.315159 0.780062 11.00000 0.00933 0.01525 = 0.01431 0.00012 0.00057 -0.00209 C9 1 0.790558 0.235112 0.765469 11.00000 0.01543 0.01217 = 0.01780 -0.00009 -0.00019 -0.00137 AFIX 23 H9A 2 0.746349 0.208130 0.697976 11.00000 -1.20000 H9B 2 0.771224 0.199979 0.829322 11.00000 -1.20000 AFIX 0 C10 1 0.976675 0.249738 0.756322 11.00000 0.01509 0.01358 = 0.01421 -0.00217 -0.00069 0.00089 C11 1 1.028135 0.252295 0.637618 11.00000 0.01922 0.01902 = 0.01531 -0.00091 0.00110 0.00003 AFIX 137 H11A 2 1.005898 0.200383 0.602587 11.00000 -1.50000 H11B 2 1.145703 0.264076 0.636020 11.00000 -1.50000 H11C 2 0.966044 0.294078 0.597576 11.00000 -1.50000 AFIX 0 C12 1 1.074214 0.186507 0.822793 11.00000 0.02251 0.01896 = 0.01810 0.00008 -0.00226 0.00488 AFIX 137 H12A 2 1.040744 0.133020 0.797637 11.00000 -1.50000 H12B 2 1.052590 0.192267 0.901250 11.00000 -1.50000 H12C 2 1.191681 0.193798 0.812000 11.00000 -1.50000 AFIX 0 C13 1 0.693030 0.365737 0.676298 11.00000 0.01159 0.01461 = 0.01350 -0.00060 -0.00073 0.00201 C14 1 0.771334 0.439091 0.667625 11.00000 0.01575 0.01582 = 0.01471 -0.00142 -0.00255 -0.00074 AFIX 43 H14 2 0.830143 0.460473 0.730078 11.00000 -1.20000 AFIX 0 C15 1 0.765238 0.482055 0.568712 11.00000 0.01594 0.01436 = 0.01854 0.00037 -0.00130 -0.00227 AFIX 43 H15 2 0.821127 0.531701 0.563758 11.00000 -1.20000 AFIX 0 C16 1 0.676666 0.451628 0.477370 11.00000 0.01419 0.01781 = 0.01238 0.00060 0.00073 0.00307 C17 1 0.594830 0.378393 0.485873 11.00000 0.01294 0.01823 = 0.01370 -0.00301 -0.00176 0.00151 AFIX 43 H17 2 0.532777 0.357867 0.424231 11.00000 -1.20000 AFIX 0 C18 1 0.603983 0.335859 0.583593 11.00000 0.01340 0.01465 = 0.01590 -0.00293 0.00010 0.00028 AFIX 43 H18 2 0.549441 0.285830 0.588166 11.00000 -1.20000 AFIX 0 C19 1 0.751297 0.561369 0.364597 11.00000 0.01963 0.02129 = 0.01952 0.00515 0.00226 0.00128 AFIX 137 H19A 2 0.727982 0.583014 0.290552 11.00000 -1.50000 H19B 2 0.869065 0.550597 0.374544 11.00000 -1.50000 H19C 2 0.718263 0.600309 0.419838 11.00000 -1.50000 AFIX 0 HKLF 4 REM 24vdb_r25_faces_a.res in P2(1)/c REM wR2 = 0.0910, GooF = S = 1.097, Restrained GooF = 1.097 for all data REM R1 = 0.0337 for 3575 Fo > 4sig(Fo) and 0.0340 for all 3602 data REM 221 parameters refined using 0 restraints END WGHT 0.0542 1.3750 REM Highest difference peak 0.714, deepest hole -0.914, 1-sigma level 0.093 Q1 1 0.8184 0.4702 1.2062 11.00000 0.05 0.71 Q2 1 0.8766 0.4888 1.0227 11.00000 0.05 0.71 Q3 1 0.8871 0.4503 1.0186 11.00000 0.05 0.62 Q4 1 0.8398 0.4399 1.1860 11.00000 0.05 0.60 Q5 1 0.8201 0.5416 1.0998 11.00000 0.05 0.50 ; _shelx_res_checksum 29593 _shelx_hkl_file ; 0 0 -1 0.74 0.44 0 0 -2 259.83 12.18 0 0 -3 15.03 3.16 0 0 -4 8003.45 219.10 0 0 -5 1.54 1.46 0 0 -6 1639.31 63.17 0 0 -7 -0.22 0.82 0 0 -7 0.69 1.08 0 0 -7 1.48 1.57 0 0 -8 788.47 28.81 0 0 -8 754.68 43.77 0 0 -8 752.48 27.95 0 0 -8 738.56 34.92 0 0 -9 0.91 1.49 0 0 -9 1.24 1.33 0 0 -9 1.12 2.25 0 0 -10 1562.66 49.33 0 0 -10 1532.43 48.05 0 0 -10 1510.71 50.55 0 0 -10 1453.64 51.14 0 0 -10 1546.34 47.20 0 0 -10 1624.06 52.13 0 0 -11 3.22 3.05 0 0 -11 0.68 1.53 0 0 -11 2.30 1.59 0 0 -11 1.86 1.75 0 0 -11 0.74 1.21 0 0 -11 3.97 3.76 0 0 -11 0.22 0.97 0 0 -11 3.74 1.70 0 0 -11 2.01 1.35 0 0 -12 377.63 16.26 0 0 -12 377.31 17.34 0 0 -12 392.97 19.40 0 0 -12 379.48 15.79 0 0 -12 336.92 17.84 0 0 -12 381.37 15.81 0 0 -12 367.60 16.57 0 0 -13 -0.16 0.89 0 0 -13 2.96 1.51 0 0 -13 1.55 1.04 0 0 -13 0.54 1.16 0 0 -13 2.91 1.26 0 0 -13 1.07 1.19 0 0 -14 1322.21 41.16 0 0 -14 1298.34 39.04 0 0 -14 1326.30 41.17 0 0 -14 1316.52 38.50 0 0 -14 1378.96 39.22 0 0 -15 0.61 0.58 0 0 -15 0.84 0.60 0 0 -15 0.97 0.60 0 0 -15 0.74 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2.97 0 7 11 22.21 3.37 0 -7 -11 33.01 4.92 0 -7 -12 353.71 16.85 0 7 -12 403.39 15.84 0 7 12 398.88 15.62 0 -7 -12 404.02 16.25 0 -7 -12 387.00 13.96 0 -7 -12 380.02 14.23 0 -7 -12 428.13 16.36 0 -7 -13 26.92 2.84 0 7 13 23.80 2.68 0 7 13 26.32 2.53 0 7 -13 23.16 2.77 0 7 -13 30.12 3.07 0 -7 -13 24.91 2.22 0 -7 -13 22.83 2.21 0 -7 -13 23.70 3.12 0 7 14 17.17 1.63 0 7 -14 19.90 1.98 0 7 -14 17.12 1.90 0 7 14 15.34 1.51 0 -7 -14 16.64 1.89 0 -7 -14 18.19 1.60 0 -8 0 4.51 2.10 0 -8 -1 12.61 3.80 0 -8 1 15.27 3.39 0 -8 -2 534.46 29.07 0 -8 2 560.50 22.59 0 8 -2 576.62 27.45 0 8 -2 573.01 27.56 0 -8 -3 409.39 26.20 0 8 -3 405.63 23.01 0 8 -3 430.82 24.69 0 -8 -4 28.98 7.17 0 8 -4 18.53 5.11 0 8 -4 34.85 6.28 0 8 -5 1078.94 42.29 0 -8 -5 1223.36 56.23 0 8 -5 1182.72 52.42 0 8 -5 1116.59 46.56 0 8 -6 354.00 22.15 0 8 -6 375.34 28.13 0 8 -6 333.75 22.48 0 8 -7 1215.32 60.71 0 -8 -7 1324.05 65.10 0 8 -7 1343.45 39.94 0 8 7 1182.33 41.20 0 8 -7 1260.18 40.50 0 8 -8 361.44 16.49 0 8 -8 364.10 17.80 0 8 -8 323.00 30.08 0 -8 -8 355.85 18.02 0 8 8 360.02 17.41 0 8 -8 345.88 15.35 0 8 8 337.21 16.79 0 -8 -8 335.00 30.91 0 8 -9 48.72 11.75 0 8 -9 39.57 4.52 0 -8 -9 52.65 5.30 0 8 -9 50.05 6.08 0 8 -9 50.75 5.71 0 -8 -9 64.84 13.47 0 8 9 44.77 5.39 0 8 -9 53.83 5.31 0 8 9 49.48 5.67 0 8 -9 51.49 5.66 0 -8 -9 47.32 6.00 0 -8 -10 181.60 10.28 0 8 -10 173.89 11.57 0 8 10 177.36 10.73 0 8 10 152.80 9.87 0 -8 -10 170.64 11.82 0 8 -10 169.75 9.85 0 8 10 157.38 10.08 0 8 -10 173.89 11.01 0 -8 -11 1088.99 34.21 0 8 11 1065.46 34.35 0 8 11 1022.25 33.48 0 -8 -11 982.42 36.60 0 8 -11 1123.64 36.39 0 8 -11 1034.07 33.76 0 8 11 1037.12 34.43 0 8 12 2.82 1.20 0 -8 -12 5.35 1.55 0 8 12 0.70 0.66 0 8 -12 2.28 1.18 0 8 -12 4.22 1.53 0 8 -12 4.13 1.78 0 -8 -12 2.23 1.31 0 8 -13 170.25 7.95 0 8 -13 170.82 7.87 0 -8 -13 172.76 7.53 0 -8 -13 145.39 8.10 0 8 13 170.87 7.78 0 8 13 166.97 7.27 0 -8 -14 2.51 0.73 0 8 -14 1.08 0.61 0 8 14 1.95 0.55 0 -9 0 1.40 1.33 0 -9 -1 207.05 16.24 0 -9 1 181.24 13.06 0 9 -1 185.38 14.74 0 9 -2 1378.41 52.09 0 -9 -2 1254.49 53.47 0 9 -2 1425.42 52.71 0 9 -3 207.57 17.17 0 -9 -3 193.43 18.31 0 9 -3 237.40 17.64 0 -9 -4 485.89 32.27 0 9 -4 489.37 29.97 0 9 -4 510.20 28.23 0 -9 -5 87.70 13.68 0 9 -5 79.76 10.32 0 9 -5 81.32 12.09 0 -9 -6 582.80 39.45 0 9 -6 513.16 29.54 0 9 -6 528.46 34.98 0 9 -7 13.03 2.76 0 9 -7 15.01 2.94 0 9 -7 13.06 3.07 0 9 7 15.25 3.16 0 9 -7 13.42 2.57 0 9 -7 4.28 3.42 0 -9 -7 11.23 2.91 0 9 7 17.73 3.46 0 9 -8 463.86 19.71 0 9 -8 428.42 20.75 0 9 -8 468.62 21.45 0 9 8 472.64 20.90 0 9 -8 491.30 19.15 0 -9 -8 456.20 21.45 0 9 -8 419.35 34.74 0 -9 -8 457.00 37.55 0 9 8 484.07 21.22 0 -9 -9 725.16 29.80 0 9 -9 801.52 30.35 0 9 -9 708.36 28.53 0 9 -9 806.14 28.64 0 9 -9 732.90 48.59 0 9 9 730.57 28.53 0 9 -9 784.12 27.09 0 9 9 737.99 28.70 0 -9 -9 769.87 26.87 0 -9 -9 685.81 47.79 0 -9 -10 17.12 2.88 0 9 -10 20.56 3.83 0 9 -10 16.65 3.17 0 9 10 21.32 3.53 0 9 10 14.01 2.90 0 9 -10 20.01 3.15 0 9 10 22.21 3.56 0 -9 -10 13.11 3.12 0 -9 -11 5.66 2.11 0 9 -11 13.53 2.85 0 9 11 8.33 1.97 0 9 -11 5.95 1.83 0 9 11 6.90 1.90 0 9 11 9.00 2.20 0 -9 -11 7.07 1.84 0 9 12 576.69 19.59 0 9 12 524.69 19.08 0 9 -12 561.83 20.70 0 9 -12 513.41 18.97 0 9 12 537.73 18.61 0 -9 -12 583.92 18.93 0 -9 -13 91.27 4.65 0 9 -13 97.11 5.39 0 -9 -13 82.81 5.39 0 9 -13 111.13 6.22 0 9 13 107.64 5.51 0 9 13 104.78 5.59 0 9 -14 20.62 1.61 0 -10 0 2052.89 70.65 0 -10 -1 1716.02 64.84 0 -10 1 1744.91 59.96 0 10 -1 1820.28 65.03 0 -10 -2 23.08 5.94 0 10 -2 42.92 7.60 0 10 -3 441.26 27.55 0 -10 -3 431.29 29.55 0 10 -3 512.42 28.83 0 10 -4 433.57 28.63 0 -10 -4 412.79 30.68 0 10 -4 468.54 28.18 0 10 -5 97.37 13.50 0 -10 -5 78.86 13.66 0 10 -5 86.58 11.43 0 10 -6 169.06 11.42 0 -10 -6 167.67 21.41 0 10 6 180.89 11.73 0 10 -6 189.97 10.21 0 10 -6 189.55 10.26 0 10 -6 143.80 17.85 0 10 -6 175.04 10.25 0 10 6 171.93 11.03 0 -10 -6 169.13 11.17 0 10 -7 1758.55 51.44 0 10 7 1626.71 53.12 0 10 -7 1666.15 50.16 0 10 -7 1654.16 50.07 0 -10 -7 1612.81 53.13 0 10 -7 1654.35 53.56 0 10 7 1535.10 51.84 0 10 -7 1632.33 50.90 0 10 -7 1529.48 72.99 0 10 -8 1056.44 35.54 0 10 -8 984.77 56.35 0 10 -8 1011.76 37.61 0 10 -8 1084.54 38.11 0 10 8 1034.32 37.06 0 10 -8 1025.81 34.28 0 10 -8 1108.02 34.93 0 10 8 1012.72 36.56 0 -10 -8 952.12 36.96 0 -10 -8 984.23 59.05 0 10 -9 17.07 3.58 0 10 -9 16.23 3.37 0 10 -9 11.53 2.76 0 10 -9 17.43 3.06 0 -10 -9 12.47 3.13 0 -10 -9 22.61 3.21 0 10 9 19.22 3.39 0 10 9 20.50 3.68 0 10 9 19.12 3.57 0 10 -10 32.51 4.63 0 10 -10 37.79 4.71 0 10 10 31.26 4.14 0 10 -10 25.44 3.61 0 -10 -10 27.51 3.39 0 10 10 32.22 4.30 0 10 10 36.22 4.41 0 -10 -10 25.30 4.16 0 10 11 931.47 30.61 0 10 11 965.48 31.11 0 -10 -11 994.88 29.59 0 10 11 978.88 31.40 0 10 -11 919.30 30.34 0 10 -11 977.59 32.05 0 10 -12 26.68 3.29 0 -10 -12 18.39 2.76 0 10 12 29.50 3.12 0 10 12 22.81 2.81 0 10 12 23.50 2.61 0 -10 -13 88.02 4.97 0 10 13 99.54 4.99 0 10 13 104.29 5.19 0 -11 0 0.58 1.16 0 -11 -1 320.61 22.87 0 11 -1 359.76 24.12 0 -11 -2 511.33 32.50 0 11 -2 683.89 35.08 0 -11 -3 75.36 12.04 0 11 -3 73.31 10.79 0 11 -4 838.49 43.38 0 11 -4 867.20 41.93 0 -11 -5 2281.84 94.10 0 11 -5 2415.14 67.65 0 11 5 2119.08 68.04 0 11 5 2167.60 68.49 0 11 -5 2447.71 68.06 0 11 -5 2237.51 88.10 0 11 -5 2460.40 71.24 0 11 -6 225.49 13.87 0 -11 -6 211.52 24.27 0 11 6 217.35 13.49 0 -11 -6 235.77 13.70 0 11 -6 242.77 12.34 0 11 -6 236.76 12.24 0 11 -6 229.18 12.31 0 11 -6 218.96 22.42 0 11 -7 135.21 10.36 0 11 -7 130.42 10.55 0 -11 -7 132.97 19.58 0 11 7 117.40 9.66 0 11 -7 137.75 8.94 0 11 -7 133.14 8.78 0 11 -7 128.68 17.83 0 11 -7 130.16 9.02 0 -11 -7 126.16 9.91 0 11 7 132.58 9.81 0 -11 -8 1119.48 41.61 0 11 8 1275.09 42.30 0 11 -8 1229.38 39.34 0 11 -8 1230.39 39.34 0 11 -8 1234.58 40.14 0 11 8 1198.17 41.27 0 11 -8 1245.80 42.92 0 11 -8 1155.23 42.37 0 11 -9 480.78 21.29 0 11 -9 443.29 20.44 0 11 -9 451.40 18.48 0 11 -9 445.64 18.38 0 -11 -9 422.94 20.27 0 11 9 453.93 20.11 0 11 9 451.63 19.87 0 11 -9 475.85 19.56 0 11 9 444.04 19.10 0 11 -10 106.40 7.42 0 11 -10 131.18 8.63 0 -11 -10 102.47 8.18 0 11 10 118.00 8.10 0 11 10 147.73 9.07 0 11 10 125.46 8.52 0 11 -11 13.55 2.55 0 11 11 21.56 2.97 0 11 11 16.53 2.63 0 11 11 15.88 2.54 0 11 12 228.09 9.21 0 11 12 245.85 9.81 0 11 12 242.74 9.87 0 11 13 405.20 12.71 0 11 13 438.38 12.71 0 12 0 415.60 27.74 0 -12 -1 824.31 42.51 0 12 -1 1040.93 46.93 0 -12 -2 247.96 22.08 0 12 -2 318.00 24.22 0 12 -3 3010.97 100.69 0 12 3 2650.90 82.10 0 -12 -3 3181.79 85.50 0 -12 -3 2442.99 100.16 0 12 4 411.64 19.31 0 12 -4 423.94 17.91 0 12 -4 409.01 18.66 0 12 4 396.41 18.92 0 12 4 406.76 18.30 0 12 4 399.97 17.13 0 12 4 415.37 16.41 0 -12 -4 393.02 31.52 0 -12 -5 514.67 39.27 0 12 5 605.97 25.12 0 12 5 581.94 23.83 0 12 5 564.83 23.79 0 12 -5 636.02 26.10 0 12 -5 615.62 23.25 0 12 5 571.09 22.46 0 12 -6 74.44 13.16 0 12 -6 89.33 7.26 0 12 -6 79.19 8.14 0 12 -6 80.48 7.99 0 -12 -6 81.28 7.74 0 12 -6 82.32 6.91 0 12 6 78.89 7.31 0 12 6 71.01 6.42 0 -12 -6 71.26 14.17 0 12 -7 593.99 26.57 0 12 -7 654.53 26.81 0 -12 -7 615.17 25.90 0 12 7 611.20 25.73 0 12 -7 583.30 24.69 0 12 -7 575.92 40.13 0 12 -7 657.03 24.47 0 12 -7 629.85 23.84 0 12 7 604.10 23.84 0 -12 -8 163.58 11.42 0 12 8 187.36 11.99 0 12 8 180.01 11.44 0 12 -8 188.23 11.00 0 12 -8 183.63 10.57 0 12 -8 192.76 12.47 0 12 -8 182.52 12.50 0 12 -9 7.43 2.36 0 12 9 10.52 2.25 0 12 9 12.04 2.62 0 12 9 7.53 2.26 0 12 -9 7.47 2.07 0 -12 -9 7.08 2.29 0 12 9 7.88 2.30 0 12 -9 7.19 2.12 0 12 10 343.06 14.64 0 12 10 315.32 13.57 0 12 -10 319.14 13.89 0 12 10 349.31 14.91 0 12 10 331.67 14.77 0 -12 -10 290.58 14.42 0 12 -11 313.16 13.03 0 12 11 362.79 13.94 0 12 11 339.59 13.58 0 12 11 348.53 13.48 0 12 12 47.76 3.08 0 -12 -12 38.74 3.19 0 13 0 4.90 3.08 0 13 0 -0.28 0.88 0 13 1 257.11 14.31 0 13 -1 291.35 15.72 0 13 1 270.78 15.21 0 13 -1 269.13 14.80 0 13 -2 423.63 20.30 0 13 -2 531.91 32.77 0 13 2 433.47 19.15 0 13 2 450.78 18.57 0 -13 -2 411.92 29.92 0 13 -2 442.59 20.64 0 13 2 416.35 20.26 0 13 2 431.05 19.43 0 -13 -2 508.40 21.33 0 13 -3 729.12 30.07 0 13 3 774.20 28.12 0 13 3 702.68 28.38 0 -13 -3 902.94 31.84 0 13 -3 794.18 30.08 0 13 3 763.92 29.89 0 -13 -3 652.01 41.51 0 13 3 791.44 26.92 0 13 4 1389.44 41.15 0 13 4 1352.34 42.12 0 13 4 1322.32 44.53 0 13 4 1329.18 43.41 0 13 -4 1321.50 44.33 0 13 4 1265.24 44.33 0 13 -4 1269.77 45.62 0 -13 -4 1255.77 63.76 0 13 5 641.76 26.45 0 13 -5 673.70 25.04 0 13 5 650.31 25.60 0 13 5 634.49 25.90 0 -13 -5 572.28 41.47 0 13 5 645.77 24.26 0 13 5 662.42 23.42 0 -13 -6 226.53 13.51 0 13 6 207.63 12.43 0 13 -6 199.06 13.62 0 13 6 199.66 11.32 0 13 6 198.92 10.57 0 13 -6 219.24 11.99 0 13 -6 182.05 12.33 0 -13 -7 22.94 4.10 0 13 7 19.47 3.77 0 13 -7 19.47 3.37 0 13 7 15.49 2.77 0 13 7 19.77 3.34 0 13 -7 22.44 3.88 0 13 -7 19.26 3.99 0 -13 -8 87.59 7.82 0 13 -8 91.69 7.05 0 13 8 94.71 7.70 0 13 8 103.14 8.24 0 13 -8 90.32 8.32 0 13 8 85.69 6.39 0 13 8 98.35 7.37 0 -13 -9 473.59 20.64 0 13 -9 510.41 19.73 0 13 -9 493.87 20.81 0 13 9 559.23 21.21 0 13 9 540.22 21.28 0 13 -9 552.22 22.28 0 13 9 548.21 19.54 0 13 10 45.95 4.54 0 13 10 53.77 4.85 0 13 -10 61.26 4.78 0 -13 -10 42.10 4.38 0 13 10 51.01 4.28 0 13 10 49.04 4.55 0 13 11 4.92 1.39 0 13 11 2.49 0.99 0 13 11 2.53 1.14 0 13 11 5.84 1.35 0 13 11 3.75 1.28 0 -13 -12 120.42 5.42 0 13 12 147.11 5.75 0 14 0 1162.93 41.14 0 14 0 1194.79 40.79 0 14 1 280.67 15.97 0 14 -1 299.37 16.44 0 14 1 272.94 13.80 0 14 1 288.61 15.49 0 14 -1 269.63 15.19 0 14 1 332.73 25.77 0 -14 -2 21.46 3.94 0 14 2 20.24 3.28 0 14 2 16.99 3.40 0 14 -2 21.78 4.11 0 14 2 17.33 3.68 0 14 -2 16.77 3.63 0 14 3 3.60 1.72 0 -14 -3 3.97 3.16 0 14 3 7.59 2.04 0 14 3 2.95 1.53 0 14 3 4.27 2.04 0 14 -3 7.13 2.44 0 14 -3 3.11 1.91 0 14 4 125.51 9.53 0 14 4 143.76 9.54 0 -14 -4 112.52 16.49 0 14 4 140.94 8.81 0 14 4 137.85 8.14 0 14 -4 121.82 10.29 0 14 -4 133.69 9.94 0 14 4 123.95 9.77 0 14 -5 153.87 10.27 0 14 5 154.09 10.52 0 14 -5 152.66 11.68 0 14 -5 133.39 10.55 0 14 5 154.46 9.44 0 14 5 160.09 8.94 0 14 5 143.48 10.29 0 14 5 144.34 9.91 0 14 6 339.90 16.23 0 14 -6 355.15 17.81 0 14 6 354.60 14.95 0 14 6 348.56 15.75 0 -14 -6 365.76 18.01 0 14 6 343.02 16.60 0 14 6 346.56 17.18 0 14 -7 121.54 9.86 0 14 -7 110.09 8.44 0 14 -7 112.26 8.73 0 14 7 118.23 7.41 0 14 7 122.32 8.18 0 -14 -7 114.01 8.95 0 14 7 116.27 8.65 0 14 8 281.80 14.12 0 -14 -8 242.50 13.50 0 14 8 276.38 12.24 0 14 8 298.02 13.45 0 14 -8 282.76 15.11 0 14 9 18.00 2.98 0 14 9 19.35 3.03 0 -14 -9 20.40 3.11 0 14 -9 20.05 3.42 0 14 -9 20.02 3.21 0 14 9 14.97 2.59 0 14 9 22.28 2.78 0 14 10 247.92 10.29 0 14 10 260.27 11.32 0 14 10 259.02 10.58 0 14 10 272.62 11.49 0 14 11 14.26 1.65 0 14 11 18.61 1.92 0 14 11 16.24 1.81 0 14 11 16.49 1.97 0 15 0 0.88 1.10 0 15 0 0.32 1.11 0 15 -1 790.41 30.77 0 15 1 742.56 30.22 0 15 -1 749.49 29.52 0 15 -1 704.01 29.28 0 15 1 769.53 29.47 0 15 -2 5.35 2.23 0 15 2 0.87 1.09 0 15 -2 4.07 2.10 0 15 2 3.89 1.57 0 15 2 2.35 1.66 0 15 -2 1.31 1.62 0 15 2 4.36 1.83 0 15 2 -0.88 1.25 0 15 3 534.19 19.95 0 15 3 496.53 21.15 0 15 3 525.98 20.63 0 15 -3 512.99 22.84 0 15 3 484.47 22.49 0 15 -3 504.23 23.29 0 15 -4 4.17 2.10 0 15 4 7.54 2.05 0 15 4 4.90 1.90 0 15 -4 9.37 2.74 0 15 4 3.14 1.58 0 15 -4 4.78 2.08 0 15 4 1.55 1.47 0 15 -5 592.13 26.06 0 15 5 647.32 22.92 0 15 5 611.30 23.57 0 15 5 569.94 23.81 0 15 -5 557.30 24.92 0 15 5 581.89 24.10 0 15 5 646.92 21.72 0 15 6 462.58 19.32 0 15 6 466.84 17.56 0 15 6 491.04 18.90 0 -15 -6 461.39 20.70 0 15 -6 478.80 20.99 0 15 6 474.46 19.61 0 15 6 464.41 20.14 0 15 7 71.52 6.28 0 15 -7 70.09 6.33 0 15 -7 70.03 7.16 0 15 7 76.92 5.40 0 15 7 75.71 5.98 0 -15 -7 69.46 6.54 0 15 -7 66.00 6.31 0 15 8 22.82 3.45 0 -15 -8 24.39 3.47 0 15 -8 24.15 3.62 0 15 8 28.79 3.07 0 15 8 29.09 3.47 0 15 -8 30.12 4.22 0 15 9 439.51 15.46 0 15 9 409.55 15.82 0 15 9 411.12 15.59 0 15 -9 382.67 15.85 0 15 10 9.45 1.66 0 15 10 9.06 1.59 0 -15 -11 75.58 3.46 0 16 0 280.52 14.49 0 16 0 227.25 13.87 0 16 -1 34.39 4.85 0 16 -1 34.08 5.14 0 16 1 26.24 4.61 0 16 -1 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15 -3 1102.43 39.12 -1 15 3 1011.19 38.78 1 15 -3 1119.89 38.85 -1 15 3 1054.43 37.57 -1 15 3 1064.18 36.42 -1 15 2 3.86 1.85 1 15 -2 5.49 2.30 1 15 -2 7.31 2.48 1 15 -2 4.51 2.20 -1 15 2 6.74 2.48 -1 15 2 4.66 1.84 1 -15 -2 8.48 2.63 1 15 -1 85.82 8.09 -1 15 1 92.30 8.30 -1 15 1 84.22 8.55 1 15 -1 106.47 9.00 1 15 -1 106.69 8.74 -1 15 1 95.23 14.37 1 -15 -1 87.21 8.01 1 15 0 114.65 9.26 -1 15 0 113.05 9.82 -1 15 0 99.23 8.55 -1 15 0 133.83 17.04 1 -15 0 104.71 8.55 -1 15 -1 1715.01 57.98 1 15 1 1766.08 57.08 -1 15 -1 1669.14 56.40 1 15 1 1847.49 56.72 -1 15 -2 15.21 3.52 1 15 2 24.46 3.98 1 15 2 21.79 3.31 1 15 2 23.51 3.49 1 15 2 19.73 3.93 -1 15 -2 20.32 4.12 1 15 3 6.59 2.07 1 15 3 15.38 3.37 -1 15 -3 9.21 2.71 1 15 3 6.53 2.04 -1 15 -3 7.50 2.65 1 15 4 430.04 18.36 1 15 4 465.83 19.29 1 15 4 454.51 17.23 -1 15 -4 466.45 20.79 1 15 4 419.45 19.46 -1 15 -5 296.15 17.42 1 15 5 347.46 15.12 1 15 5 346.21 15.54 1 15 5 326.98 15.67 -1 -15 -5 320.92 16.58 1 15 5 337.46 14.08 1 15 5 333.18 15.86 1 15 6 234.73 11.55 1 15 6 206.58 11.76 1 15 6 225.27 11.84 -1 15 -6 196.38 12.77 1 15 6 216.92 10.46 1 15 6 220.98 11.33 -1 15 -7 324.72 17.25 1 15 7 339.00 14.47 1 15 7 332.27 13.53 1 15 7 350.06 15.09 -1 15 -7 321.59 16.02 1 15 8 12.66 2.51 1 15 8 11.76 2.04 -1 -15 -8 10.23 2.39 -1 15 -8 14.46 3.16 1 15 9 163.11 7.40 -1 15 -9 147.80 8.65 -1 -15 -9 144.54 8.36 -1 15 -9 162.94 9.47 1 15 9 159.36 8.16 1 15 9 164.11 8.38 1 15 10 106.83 5.50 1 15 10 113.98 5.62 1 -16 -10 13.83 1.38 -1 16 10 19.00 1.81 -1 16 10 16.99 1.69 -1 16 9 5.87 1.44 1 16 -9 3.11 1.10 -1 16 8 790.81 24.44 1 16 -8 716.23 25.40 -1 16 8 770.47 25.29 1 16 -7 187.69 10.02 -1 16 7 199.22 10.75 -1 16 7 194.43 10.14 1 -16 -7 173.28 9.53 1 -16 -6 66.38 6.08 -1 16 6 73.99 6.58 -1 16 6 78.48 6.33 1 16 -6 77.97 6.67 1 16 -6 70.39 6.36 1 16 -6 85.30 6.91 -1 16 6 78.50 6.39 1 -16 -5 13.31 2.85 -1 16 5 14.25 3.01 1 16 -5 18.19 3.33 1 16 -5 14.98 3.11 1 16 -5 17.81 3.65 -1 16 5 13.73 2.97 -1 16 5 12.66 2.61 1 16 -5 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2.60 1.51 1 16 5 0.23 1.03 1 16 5 0.20 1.05 -1 16 -5 2.17 1.59 -1 16 -5 0.65 1.39 -1 16 -6 273.85 15.20 1 16 6 280.07 12.87 1 16 6 280.25 13.12 -1 16 -6 261.44 14.26 1 16 7 564.03 20.74 1 16 7 592.10 20.73 -1 16 -7 547.72 21.78 -1 16 -8 7.42 2.04 -1 16 -8 14.01 2.77 1 16 8 10.72 1.99 -1 -16 -8 11.00 2.25 -1 -16 -9 37.89 3.38 1 16 9 42.16 3.44 1 16 10 1369.80 37.15 -1 17 9 446.47 13.87 -1 17 9 446.04 13.59 1 17 -8 42.36 3.62 -1 17 8 44.40 3.49 1 17 -7 140.34 8.16 -1 17 7 158.55 8.40 -1 17 7 159.39 7.94 -1 17 6 47.20 4.60 -1 17 6 48.98 4.32 1 17 -6 44.71 4.53 1 17 -6 51.00 4.82 -1 17 6 46.13 4.30 1 -17 -6 39.50 4.16 1 -17 -5 510.70 20.40 -1 17 5 549.62 20.58 1 17 -5 504.30 20.23 1 17 -5 533.72 20.94 -1 17 5 527.01 20.93 1 17 -5 569.01 21.61 1 17 -4 0.44 0.94 1 17 -4 1.30 1.34 -1 17 4 1.08 1.27 -1 17 4 1.05 1.08 -1 17 3 939.46 33.91 1 17 -3 891.26 31.17 1 17 -3 974.37 32.93 1 17 -2 29.18 3.74 -1 17 2 27.18 4.48 1 17 -2 38.96 5.06 -1 17 2 35.12 4.42 1 17 -2 36.77 4.90 1 17 -2 33.27 4.40 1 17 -1 3.64 1.44 1 17 -1 1.24 1.22 1 17 -1 0.28 1.14 -1 17 1 2.82 1.60 1 17 -1 1.75 1.71 -1 17 1 2.93 1.91 1 17 0 58.04 5.67 -1 17 0 62.15 6.46 1 17 0 61.71 6.28 -1 17 0 61.85 6.86 1 17 1 458.28 18.90 -1 17 -1 487.26 20.60 -1 17 -1 461.99 21.14 1 17 1 489.25 21.17 -1 17 -1 478.58 21.73 1 17 2 17.40 2.81 -1 17 -2 18.05 3.51 -1 17 -2 16.42 3.50 1 17 2 14.94 3.28 -1 17 -2 19.59 3.81 -1 17 -3 95.07 8.13 -1 17 -3 89.27 8.10 -1 17 -3 98.45 8.15 1 17 3 110.96 8.21 -1 17 -4 105.84 8.58 1 17 4 97.14 7.43 1 17 4 102.80 6.86 -1 -17 -4 101.57 7.89 -1 17 -5 591.42 23.82 1 17 5 593.65 20.61 1 17 5 604.55 21.14 -1 -17 -5 567.87 22.37 -1 17 -5 541.84 22.92 -1 17 -6 73.25 6.28 1 17 6 73.13 5.24 1 17 6 75.06 5.44 -1 17 -6 64.24 5.71 -1 17 -6 65.25 6.30 1 17 7 44.16 3.88 1 17 7 40.44 3.59 1 17 8 183.10 7.63 -1 -17 -8 162.22 7.88 -1 17 -8 161.78 8.18 -1 -17 -9 49.66 2.97 -1 18 8 519.58 14.92 1 18 -8 442.23 14.25 -1 18 7 22.37 2.38 1 18 -7 24.03 2.56 1 18 -6 50.84 4.24 1 18 -6 49.76 4.19 -1 18 6 54.56 4.16 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111.89 4.86 1 19 -6 80.55 4.46 1 19 -6 78.03 4.39 1 19 -5 96.83 5.73 1 19 -5 91.30 5.21 1 19 -4 252.65 10.41 1 -19 -4 257.41 11.08 -1 19 4 278.04 11.75 -1 19 3 294.89 13.18 1 19 -3 274.01 11.08 1 19 -3 301.26 12.63 -1 19 2 124.87 8.10 1 19 -2 121.21 7.35 -1 19 2 121.55 6.43 1 19 -2 118.70 6.06 -1 19 1 1.57 1.14 -1 19 1 1.26 0.98 1 19 -1 0.83 0.94 -1 19 0 131.56 8.62 -1 19 0 139.90 8.34 1 19 0 120.87 7.10 -1 19 -1 290.91 13.51 -1 19 -1 290.90 13.28 1 19 1 260.67 11.04 -1 19 -2 167.13 8.37 -1 19 -2 183.78 10.13 -1 -19 -3 124.18 7.42 -1 19 -3 111.02 6.59 -1 19 -3 130.41 8.02 -1 19 -3 123.96 7.66 -1 -19 -4 119.91 6.90 -1 19 -4 108.64 6.39 -1 19 -5 207.84 9.32 -1 19 -5 196.29 8.89 -1 19 -5 211.45 9.67 -1 -19 -5 191.59 8.91 -1 19 -6 3.62 1.03 1 20 -5 439.43 13.34 1 20 -5 413.15 12.74 1 20 -4 117.57 5.76 1 20 -3 52.62 3.79 1 -20 -3 49.44 3.61 -1 20 3 51.46 4.04 1 20 -2 305.65 11.67 1 -20 -2 302.44 11.86 -1 20 2 321.78 12.81 1 20 -1 948.64 26.87 -1 20 1 829.87 25.71 -1 20 0 39.21 3.35 1 20 0 36.59 2.96 -1 20 0 47.09 4.15 -1 20 -1 91.77 5.61 -1 -20 -1 92.74 5.60 -1 20 -1 106.31 6.37 -1 -20 -2 307.14 12.01 -1 20 -2 333.73 12.85 -1 20 -2 305.44 12.19 -1 -20 -3 83.06 4.90 -1 20 -3 97.93 5.68 -1 20 -3 82.28 5.05 -1 20 -4 1.12 0.53 -1 -20 -4 0.75 0.68 -1 -20 -5 98.81 4.47 1 -21 -2 36.61 2.34 1 -21 -1 6.39 1.07 -1 -21 0 291.57 9.62 -1 -21 -1 81.27 3.88 -1 -21 -2 6.43 0.92 2 0 -15 1.36 0.59 2 0 -15 1.19 0.57 2 0 -14 49.41 4.06 2 0 -14 53.55 4.30 2 0 -14 50.97 4.12 2 0 -14 47.49 4.11 2 0 -13 0.40 0.95 2 0 -13 0.63 1.08 2 0 -13 3.39 1.56 2 0 -13 0.86 1.07 2 0 -12 609.51 23.87 2 0 -12 561.15 23.36 2 0 -12 626.60 24.44 2 0 -12 621.51 24.27 2 0 -12 587.89 23.37 2 0 -12 600.94 24.04 2 0 -12 575.43 22.11 2 0 -11 -0.29 1.26 2 0 -11 1.85 1.35 2 0 -11 7.11 2.20 2 0 -11 1.44 1.59 2 0 -11 6.16 2.24 2 0 -11 3.61 1.96 2 0 -10 85.01 7.56 2 0 -10 88.79 15.02 2 0 -10 70.62 11.62 2 0 -10 86.36 7.68 2 0 -10 88.02 8.16 2 0 -10 77.82 7.06 2 0 -9 1.90 1.35 2 0 -9 1.09 2.19 2 0 -9 0.27 1.17 2 0 -9 1.14 1.28 2 0 -8 203.35 21.89 2 0 -8 185.21 20.50 2 0 -8 188.98 17.72 2 0 -8 204.75 11.43 2 0 -7 1.79 1.81 2 0 -7 0.80 1.97 2 0 -7 0.43 0.86 2 0 -7 1.46 1.19 2 0 -6 761.57 25.61 2 0 -6 818.83 35.44 2 0 -6 738.86 39.74 2 0 -6 759.13 38.29 2 0 -6 752.18 31.27 2 0 -5 2.04 1.42 2 0 -5 0.53 0.76 2 0 -5 -0.33 0.95 2 0 -5 0.65 0.92 2 0 -4 49.47 6.84 2 0 -4 37.25 5.01 2 0 -4 42.63 7.17 2 0 -4 50.52 6.04 2 0 -3 0.78 0.91 2 0 -3 0.44 0.89 2 0 -3 -0.33 0.67 2 0 -3 2.40 1.42 2 0 -2 7751.68 206.55 2 0 -2 7234.00 201.65 2 0 -2 7719.56 202.83 2 0 -1 8.71 2.32 -2 0 1 0.97 0.53 -2 0 0 377.53 14.62 -2 0 -1 5.52 1.74 -2 0 -2 3263.70 94.30 -2 0 -3 1.15 1.22 -2 0 -4 220.74 16.32 -2 0 -4 230.16 17.34 -2 0 -5 3.36 2.70 -2 0 -6 601.26 22.85 -2 0 -6 596.54 35.75 -2 0 -7 8.33 2.35 -2 0 -7 9.04 4.52 -2 0 -8 1109.19 59.89 -2 0 -8 1150.23 40.74 -2 0 -9 3.46 2.12 -2 0 -9 0.34 1.28 -2 0 -9 -1.35 2.71 -2 0 -9 0.20 0.93 -2 0 -9 1.42 1.01 -2 0 -9 0.69 0.95 -2 0 -10 1506.11 43.28 -2 0 -10 1422.91 41.95 -2 0 -10 1381.39 41.79 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121.57 10.15 -2 10 -5 2194.08 71.37 2 10 5 2278.71 71.89 2 10 5 2263.69 65.85 -2 10 -5 2412.75 93.97 -2 -10 -5 2455.88 69.60 -2 10 -5 2395.09 67.02 -2 10 -6 930.33 53.45 -2 10 -6 879.59 51.21 -2 10 -6 923.92 37.32 -2 10 -6 1005.46 33.12 -2 10 -6 982.48 33.36 2 10 6 998.61 33.55 -2 -10 -6 1086.62 36.38 2 10 6 1020.07 34.90 2 10 6 1002.89 34.37 2 10 7 226.63 12.78 2 10 7 226.57 12.58 -2 10 -7 211.34 11.66 -2 -10 -7 212.20 26.94 -2 10 -7 187.47 22.65 -2 10 -7 208.10 23.83 2 10 7 225.79 12.08 -2 10 -7 231.79 11.77 -2 -10 -7 222.21 13.51 2 10 8 22.98 3.74 2 10 8 17.93 3.36 -2 -10 -8 21.16 4.01 -2 10 -8 21.82 3.44 2 10 8 21.46 3.45 2 10 8 22.82 3.34 -2 10 -8 18.89 3.10 -2 10 -8 19.57 4.37 2 10 9 1985.04 58.62 2 10 9 1973.44 58.35 -2 10 -9 1865.41 57.20 2 10 9 2021.95 58.15 2 10 9 1898.47 56.86 -2 10 -9 1868.87 56.51 -2 10 -9 1962.20 63.69 2 10 10 24.16 3.43 2 10 10 27.06 3.54 2 10 10 30.12 3.83 -2 10 -10 27.01 4.75 -2 10 -10 29.59 3.64 2 10 10 24.20 3.24 2 10 10 29.42 3.71 -2 10 -10 30.52 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2215.30 65.54 2 13 3 2171.42 65.11 -2 13 -3 2334.03 92.85 2 13 3 2194.01 66.91 2 13 3 2231.50 63.70 -2 -13 -4 87.11 15.42 2 13 4 104.40 7.23 -2 13 -4 83.15 8.13 2 13 4 88.34 7.67 2 13 4 105.47 8.10 2 13 4 98.47 6.69 2 13 4 98.19 7.67 -2 13 -4 86.44 9.08 2 13 4 89.78 7.16 -2 13 -4 94.34 15.46 -2 -13 -5 14.84 6.68 2 13 5 25.49 4.07 2 13 5 25.95 3.44 2 13 5 24.02 3.90 -2 -13 -5 27.69 4.48 2 13 5 21.86 3.27 2 13 5 24.36 3.75 2 13 5 28.56 3.93 -2 13 -5 22.24 4.57 -2 -13 -6 6.41 2.38 2 13 6 4.48 1.75 2 13 6 3.46 1.51 2 13 6 3.35 1.35 -2 13 -6 4.39 2.34 -2 -13 -7 524.82 22.38 2 13 7 479.45 19.11 2 13 7 540.86 21.52 2 13 7 502.18 20.75 2 13 7 507.04 19.39 2 13 8 13.12 2.75 2 13 8 15.73 2.68 -2 -13 -8 7.87 2.39 2 13 8 9.04 2.28 2 13 8 9.66 2.11 -2 13 -8 7.40 2.80 -2 13 -9 196.47 12.39 2 13 9 199.12 10.15 2 13 9 190.03 10.25 2 13 9 184.66 9.36 2 13 10 66.42 4.87 2 13 10 73.21 5.10 2 13 10 71.95 4.82 2 13 11 480.79 15.32 -2 -13 -11 452.23 16.53 -2 14 11 0.54 0.47 -2 14 11 1.39 0.68 -2 14 10 703.49 23.72 -2 14 10 727.57 23.98 -2 14 10 726.97 23.27 2 14 -9 49.16 4.56 -2 14 9 50.12 5.18 -2 14 9 49.33 5.08 -2 14 9 59.03 4.98 2 14 -8 140.70 8.95 -2 14 8 141.04 8.66 -2 14 8 140.72 10.02 -2 14 7 7.72 2.39 -2 14 7 10.52 2.40 2 14 -7 14.15 2.83 2 14 -6 990.88 32.82 2 14 -6 1031.20 34.89 2 14 -6 895.66 32.09 2 -14 -6 828.85 30.62 -2 14 6 861.66 34.14 2 14 -6 895.08 32.20 -2 14 6 848.07 32.69 -2 14 6 858.79 32.59 -2 14 6 850.31 30.46 2 14 -6 936.48 32.38 2 14 -5 304.61 15.68 2 14 -5 291.74 15.26 2 -14 -5 329.03 18.32 -2 14 5 287.30 16.63 2 14 -5 277.11 14.79 -2 14 5 265.54 14.93 -2 14 5 280.86 13.76 2 14 -5 300.61 15.46 2 14 -4 127.18 9.80 2 14 -4 138.59 10.50 2 -14 -4 137.97 11.32 -2 14 4 122.48 10.17 2 14 -4 116.96 8.92 -2 14 4 125.96 9.48 -2 14 4 121.41 8.13 2 14 -4 126.76 9.58 2 14 -3 121.28 9.59 2 14 -3 116.25 9.13 2 14 -3 131.62 10.15 2 -14 -3 89.89 14.48 -2 14 3 120.37 9.86 2 14 -3 103.94 8.27 2 14 -3 108.55 8.98 -2 14 3 111.29 8.65 2 14 -3 138.89 10.09 2 -14 -3 128.70 10.71 2 -14 -2 2995.15 85.53 2 14 -2 2692.21 80.84 2 -14 -2 2501.89 100.28 2 14 -2 3039.58 83.33 -2 14 2 2647.63 79.53 2 14 -2 2598.84 79.12 -2 14 2 2666.68 81.86 -2 14 2 2859.48 104.06 2 14 -2 2874.05 82.15 2 14 -1 28.01 4.35 2 14 -1 25.10 3.99 -2 14 1 15.98 6.06 2 14 -1 21.01 4.00 2 14 -1 24.71 3.62 2 14 -1 22.80 4.07 -2 14 1 22.51 3.93 2 -14 -1 27.62 4.83 -2 14 0 13.65 5.79 2 14 0 14.00 3.16 2 14 0 12.46 3.13 2 -14 0 10.47 2.95 -2 14 0 10.46 2.87 2 14 0 10.77 2.55 2 14 0 6.73 2.36 2 14 1 551.09 22.87 2 14 1 614.09 24.95 2 14 1 620.15 25.53 2 -14 1 575.46 25.30 2 14 1 626.10 22.80 2 14 1 607.22 22.57 -2 14 -1 680.67 42.54 2 14 2 1142.70 39.70 2 14 2 1062.09 36.46 2 14 2 1120.38 36.96 2 14 2 1157.19 37.23 2 14 3 49.99 5.32 2 14 3 42.09 4.90 -2 14 -3 56.51 11.88 -2 14 -3 48.05 6.31 2 14 3 50.42 5.83 2 14 4 414.08 18.22 2 14 4 392.42 17.77 2 14 4 427.11 16.95 2 14 4 420.63 18.81 -2 14 -4 378.80 19.50 2 14 5 377.75 17.24 2 14 5 383.83 17.02 2 14 5 373.97 15.14 -2 -14 -5 386.81 18.29 2 14 5 344.42 15.19 2 14 6 31.07 4.24 2 14 6 33.20 4.24 2 14 6 26.82 3.29 -2 -14 -6 25.77 4.20 2 14 6 22.99 3.21 -2 -14 -7 32.49 4.48 2 14 7 36.41 3.76 -2 14 -7 29.72 5.15 2 14 7 37.12 3.87 -2 14 -8 467.48 21.99 -2 -14 -8 480.66 20.16 2 14 8 489.13 19.06 2 14 8 530.27 19.75 2 14 8 507.31 17.89 2 14 8 485.17 17.85 2 14 9 100.50 5.79 -2 14 -9 91.48 7.55 2 14 9 95.19 5.70 2 14 9 100.29 6.51 2 14 9 103.91 6.45 2 14 10 15.22 1.87 2 14 10 14.31 1.99 -2 -14 -11 2.26 0.72 2 14 11 1.65 0.50 -2 15 10 92.83 5.25 -2 15 10 101.62 5.47 -2 15 10 93.79 4.96 2 15 -9 13.24 2.12 -2 15 9 10.30 2.25 -2 15 9 12.32 2.03 2 15 -8 59.54 5.18 -2 15 8 56.93 5.60 -2 15 8 59.47 5.41 -2 15 8 57.81 4.75 -2 15 7 824.31 27.37 2 15 -7 818.29 28.06 -2 15 7 802.65 29.11 2 -15 -6 0.85 1.05 -2 15 6 0.28 0.97 -2 15 6 1.31 1.34 2 15 -6 2.01 1.56 -2 15 6 4.71 1.67 2 15 -6 1.70 1.25 -2 15 6 2.76 1.69 2 15 -5 379.26 17.55 2 15 -5 342.04 16.53 2 15 -5 357.54 16.98 -2 15 5 354.88 18.17 -2 15 5 339.22 17.74 -2 15 5 376.54 17.26 2 15 -4 53.56 6.18 2 15 -4 54.75 5.78 -2 15 4 56.69 5.89 -2 15 4 61.69 6.74 2 -15 -4 70.08 7.65 2 15 -3 426.70 19.07 2 -15 -3 457.10 21.82 2 15 -3 431.83 20.02 2 15 -3 390.23 18.14 2 15 -3 424.15 19.40 -2 15 3 421.68 19.94 -2 15 3 427.74 18.53 2 15 -2 11.23 2.79 2 -15 -2 18.41 3.89 -2 15 2 12.46 3.02 2 15 -2 9.69 2.83 2 15 -2 14.94 2.93 2 15 -2 17.24 3.40 -2 15 2 14.37 3.21 2 15 -2 12.92 3.19 2 15 -1 1384.49 45.00 2 -15 -1 1409.14 47.59 2 15 -1 1474.03 46.63 2 15 -1 1274.34 42.46 -2 15 1 1307.25 44.09 2 15 -1 1504.74 47.28 2 15 -1 1315.10 44.35 2 15 0 140.37 9.72 2 15 0 167.61 11.17 2 15 0 168.34 10.76 2 15 0 142.75 10.70 2 -15 0 151.19 11.01 2 -15 1 332.58 17.40 2 15 1 378.79 15.59 2 15 1 365.36 15.28 2 15 1 381.57 17.57 2 15 1 348.60 17.71 -2 15 -1 319.81 17.58 2 15 1 327.28 15.78 -2 15 -2 34.09 5.41 2 15 2 37.14 5.08 2 15 2 45.52 4.72 2 15 2 36.49 4.28 2 15 2 32.98 4.07 -2 15 -2 30.22 4.96 -2 15 -3 2280.93 75.08 2 15 3 2473.79 73.59 2 15 3 2545.92 71.66 2 15 3 2489.98 71.19 -2 15 -4 233.67 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16 2 445.55 20.08 2 16 -2 471.73 20.23 2 -16 -2 507.24 22.24 -2 16 2 469.89 19.92 2 16 -2 436.14 18.52 -2 16 1 1.25 1.40 2 16 -1 3.26 1.84 2 -16 -1 1.89 1.67 2 16 -1 1.53 1.69 2 16 -1 1.79 1.17 2 16 -1 3.89 1.69 -2 16 0 33.49 5.35 2 16 0 27.71 4.51 2 -16 0 28.67 4.40 2 16 0 33.30 4.28 -2 16 -1 153.36 11.79 2 16 1 165.34 11.04 2 -16 1 153.20 10.16 -2 16 -1 144.16 10.51 2 16 1 169.40 9.85 -2 16 -2 437.72 21.41 2 16 2 450.35 17.79 -2 16 -2 409.86 20.36 -2 16 -3 87.77 8.10 2 16 3 78.25 7.12 2 16 3 87.54 6.45 2 16 3 86.56 6.52 -2 16 -3 83.20 8.08 -2 -16 -4 82.85 7.18 2 16 4 91.86 6.59 2 16 4 85.44 6.50 -2 16 -4 88.23 8.33 -2 -16 -5 7.41 2.34 2 16 5 7.33 2.00 2 16 5 5.28 1.83 -2 16 -5 5.58 2.34 -2 -16 -6 903.65 30.23 -2 16 -6 801.48 30.94 2 16 6 894.92 28.49 2 16 6 873.63 28.73 -2 16 -6 825.95 31.92 -2 16 -7 28.53 3.86 -2 -16 -7 33.08 3.90 2 16 7 29.61 3.38 2 16 7 29.57 3.33 -2 -16 -8 889.63 28.97 -2 16 -8 947.26 30.95 2 16 9 35.55 2.73 -2 16 -9 31.01 3.07 -2 17 9 6.54 1.01 2 17 -8 78.23 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210.26 21.50 -4 12 3 168.53 14.08 4 12 -2 45.91 6.51 4 12 -2 44.36 5.36 4 12 -2 40.33 4.74 -4 12 2 36.05 8.97 4 12 -2 39.05 5.08 -4 12 2 38.02 6.41 4 12 -1 756.99 27.07 -4 12 1 837.66 47.42 4 12 -1 807.33 28.95 4 12 -1 761.48 33.20 4 12 -1 794.02 29.26 4 -12 -1 810.60 33.95 4 12 -1 871.19 33.48 4 12 -1 750.74 26.70 4 -12 0 1469.02 51.55 -4 12 0 1508.90 69.03 4 12 0 1404.75 51.74 4 12 0 1449.13 45.52 4 12 0 1404.36 44.13 -4 12 0 1334.20 51.91 -4 12 -1 146.21 12.93 4 12 1 150.11 8.82 4 12 1 156.47 9.63 4 12 1 158.94 11.09 4 -12 1 158.95 12.70 4 12 1 159.15 9.75 4 12 2 117.43 7.91 4 12 2 126.71 11.76 4 12 2 132.77 8.87 4 12 2 126.77 9.63 -4 -12 -2 126.08 8.60 4 -12 2 139.49 11.53 -4 12 -2 120.02 11.52 -4 12 -3 868.53 34.93 -4 12 -3 919.08 53.09 4 12 3 934.36 31.65 4 12 3 912.30 31.62 4 12 3 863.90 37.38 4 12 3 881.59 29.39 -4 -12 -3 889.23 31.45 4 -12 3 856.50 35.07 4 12 3 873.86 32.23 4 12 4 13.84 3.02 4 12 4 21.23 4.72 4 12 4 19.46 3.43 4 12 4 20.52 3.53 4 -12 4 14.78 3.55 -4 -12 -4 17.48 3.27 4 12 4 20.00 2.98 -4 12 -4 14.52 3.65 4 12 5 495.69 20.98 -4 -12 -5 543.88 22.00 4 12 5 537.26 21.76 4 12 5 551.04 20.13 4 -12 5 503.35 23.22 -4 12 -5 505.66 24.39 4 12 6 181.50 10.57 -4 -12 -6 197.40 11.52 4 12 6 194.45 10.96 4 12 6 195.39 10.13 4 -12 6 173.10 11.50 -4 12 -6 178.26 12.81 4 12 7 221.86 11.45 -4 -12 -7 246.36 12.77 4 12 7 229.34 11.79 4 12 7 237.01 11.24 -4 12 -7 231.91 14.22 -4 -12 -8 275.91 13.21 4 12 8 265.84 12.10 4 12 8 254.15 11.46 -4 12 -8 262.17 14.42 -4 -12 -9 284.23 12.74 4 12 9 282.81 11.59 4 12 9 284.15 11.42 -4 12 -9 269.75 13.68 -4 -12 -10 431.86 15.85 4 12 10 449.63 14.88 4 12 10 448.47 14.53 -4 -12 -11 105.45 4.73 -4 13 10 149.15 7.45 -4 13 10 161.52 7.35 -4 13 10 155.61 7.92 -4 13 9 556.31 22.14 4 13 -9 629.37 20.17 -4 13 9 570.27 20.57 -4 13 8 106.75 8.55 4 13 -8 128.18 7.40 4 13 -8 144.18 8.16 4 13 -8 127.54 9.06 -4 13 8 128.21 9.81 4 13 -7 60.79 5.33 4 13 -7 63.28 5.45 4 13 -7 57.60 6.56 -4 13 7 64.33 7.39 4 13 -6 17.88 3.87 4 13 -6 26.79 4.71 4 -13 -6 28.92 5.04 4 13 -6 31.70 4.18 4 13 -6 30.60 4.12 4 13 -5 1572.80 50.50 4 13 -5 1572.71 49.72 4 13 -5 1562.91 53.50 4 13 -5 1527.80 53.42 4 -13 -5 1597.65 54.48 4 13 -5 1612.13 49.47 -4 13 4 40.00 6.55 4 13 -4 36.43 4.98 4 13 -4 33.13 5.52 4 13 -4 38.00 4.69 4 13 -4 25.00 4.87 4 13 -3 1133.31 39.71 4 13 -3 1196.77 44.01 -4 13 3 1133.45 45.66 4 -13 -3 1272.30 45.79 4 13 -3 1215.14 44.43 4 13 -3 1174.92 39.01 4 13 -3 1229.96 40.51 4 13 -2 635.69 25.23 -4 13 2 636.13 30.53 4 -13 -2 640.48 29.64 4 13 -2 704.01 29.52 4 13 -2 641.25 24.10 4 13 -2 622.53 25.28 4 13 -1 164.49 10.49 4 -13 -1 166.44 13.17 -4 13 1 131.36 12.53 4 13 -1 176.40 12.85 4 13 -1 169.39 9.69 4 13 -1 169.98 10.81 4 13 0 244.91 13.03 4 -13 0 242.07 16.16 -4 13 0 255.98 17.52 4 13 0 224.33 11.76 4 13 0 278.24 16.28 4 13 0 260.36 13.74 4 13 0 255.37 12.48 4 13 1 1375.91 43.12 4 13 1 1308.93 41.49 4 13 1 1421.53 43.20 4 -13 1 1351.05 48.88 4 13 2 233.71 13.48 4 13 2 226.51 11.63 4 13 2 246.36 12.62 -4 -13 -2 248.47 12.72 4 -13 2 244.53 15.67 -4 -13 -3 15.94 2.99 4 -13 3 7.43 2.66 4 13 3 9.68 2.39 4 13 3 10.59 2.08 4 13 3 10.57 2.64 4 13 4 210.21 11.60 4 13 4 196.87 11.63 4 13 4 216.70 10.41 -4 -13 -4 220.12 12.06 4 -13 4 210.08 13.44 -4 -13 -5 2034.51 58.33 4 13 5 1806.02 56.72 4 13 5 1910.75 57.16 4 -13 5 1828.08 59.08 4 13 5 1916.92 55.09 -4 13 -5 1947.49 61.85 4 13 6 1.44 1.10 4 13 6 2.96 1.32 -4 -13 -6 2.38 1.51 -4 13 -6 2.34 1.58 -4 -13 -7 65.72 5.79 4 13 7 64.81 5.40 4 13 7 59.95 4.72 -4 13 -7 67.60 6.81 -4 -13 -8 63.61 5.31 4 13 8 62.27 4.81 4 13 8 60.21 4.40 -4 13 -8 55.81 5.73 -4 -13 -9 576.16 19.74 4 13 9 583.01 18.72 4 13 9 571.92 18.25 -4 13 -9 530.76 20.97 4 13 10 17.57 1.69 4 13 10 14.76 1.49 -4 -13 -10 16.91 1.96 -4 14 10 117.81 5.43 -4 14 10 136.07 6.11 -4 14 9 6.78 1.83 4 14 -8 402.35 14.79 4 14 -8 413.02 15.32 -4 14 8 381.25 17.40 -4 14 8 370.28 16.60 4 14 -8 421.58 16.90 -4 14 7 70.75 6.59 4 14 -7 81.23 6.97 4 14 -7 82.54 5.92 4 14 -7 79.81 5.84 4 -14 -6 54.09 6.42 -4 14 6 47.26 5.55 4 14 -6 50.92 5.03 4 14 -6 49.01 5.01 -4 14 6 48.20 6.28 4 14 -6 54.57 6.15 4 14 -5 24.59 4.47 4 14 -5 21.91 3.53 4 14 -5 24.25 3.64 -4 14 5 25.68 4.75 4 14 -5 29.33 4.65 4 14 -4 1734.58 56.90 4 14 -4 1657.20 55.67 4 14 -4 1704.19 52.29 4 14 -4 1845.27 54.47 4 -14 -4 1630.95 57.24 4 14 -3 93.27 8.77 4 14 -3 106.59 7.57 4 14 -3 91.58 7.65 4 14 -3 83.40 8.61 4 -14 -3 94.26 9.43 4 14 -2 8.41 2.81 4 14 -2 10.80 2.36 4 14 -2 8.05 2.35 4 14 -2 7.95 2.26 4 -14 -2 7.47 2.96 4 14 -2 8.34 2.91 4 14 -1 57.79 5.21 4 14 -1 63.97 6.20 4 14 -1 61.69 6.01 4 14 -1 68.35 7.55 4 -14 -1 70.29 8.14 4 -14 0 1000.64 38.49 4 14 0 957.50 31.96 4 14 0 1025.55 34.19 4 14 0 1037.07 37.53 4 14 0 950.42 32.01 4 14 0 976.19 33.44 4 14 1 20.32 3.16 4 14 1 26.05 4.56 4 14 1 19.98 3.22 4 -14 1 25.92 4.77 -4 -14 -1 23.01 3.37 4 14 2 617.03 22.59 4 -14 2 641.29 27.54 -4 -14 -2 653.16 23.99 4 14 2 656.00 23.72 4 -14 3 279.09 16.00 -4 -14 -3 298.80 14.25 4 14 3 302.27 13.93 -4 -14 -4 1018.99 33.33 4 14 4 1025.41 32.92 4 -14 5 93.17 7.45 -4 -14 -5 110.96 7.68 4 14 5 101.68 7.14 -4 -14 -6 417.18 17.13 -4 -14 -7 259.30 12.00 4 14 7 261.00 11.46 -4 14 -8 101.53 7.65 -4 -14 -8 112.08 6.60 4 14 8 114.32 6.22 -4 14 -9 238.90 10.47 -4 -14 -9 253.86 9.79 4 14 9 248.15 9.20 -4 15 9 453.29 14.97 -4 15 9 436.09 15.15 -4 15 8 42.95 4.31 -4 15 8 42.84 3.96 4 15 -8 43.32 3.34 4 15 -7 366.02 13.85 4 15 -7 379.35 14.21 4 15 -7 382.31 14.00 -4 15 7 360.73 15.14 -4 15 6 224.18 11.82 4 15 -6 240.08 11.16 4 15 -6 247.95 11.47 4 15 -6 234.52 12.44 -4 15 6 231.72 13.25 4 15 -5 331.03 14.39 4 15 -5 346.60 14.63 4 15 -5 346.59 15.14 4 15 -5 330.24 16.33 -4 15 5 339.40 17.31 4 -15 -4 37.25 5.39 4 15 -4 35.97 5.06 4 15 -4 39.36 4.25 4 15 -4 31.91 4.18 -4 15 4 39.21 5.38 4 15 -4 39.47 4.61 4 15 -3 244.05 14.41 4 15 -3 240.74 11.76 4 -15 -3 245.50 15.06 4 15 -3 257.08 12.95 -4 15 3 236.65 14.08 4 15 -2 34.49 4.42 4 15 -2 42.49 5.34 -4 15 2 37.02 5.07 4 15 -2 35.67 4.03 4 15 -2 35.26 3.92 4 15 -2 46.38 5.87 4 -15 -2 40.12 5.82 4 -15 -1 231.85 14.52 4 15 -1 214.29 12.91 4 15 -1 211.18 11.57 4 15 -1 216.21 13.45 4 15 -1 203.95 10.55 4 15 -1 212.95 10.23 4 15 0 1.99 1.34 4 -15 0 5.40 2.29 4 15 0 3.88 1.65 4 15 0 2.57 1.83 4 15 0 2.64 1.30 4 15 1 796.41 27.20 4 15 1 780.87 29.51 4 -15 1 727.86 29.96 -4 -15 -1 759.31 26.00 4 15 1 716.64 25.80 4 15 2 6.76 1.84 4 15 2 6.07 2.18 4 -15 2 3.79 1.91 -4 -15 -2 4.97 1.68 4 -15 3 39.97 5.09 -4 -15 -3 47.37 4.69 4 15 3 43.43 4.34 4 -15 4 23.76 3.59 -4 -15 -4 26.67 3.55 4 15 4 29.54 3.54 -4 -15 -5 939.60 30.68 4 15 5 949.48 30.25 4 15 6 5.24 1.51 -4 -15 -6 5.48 1.55 -4 -15 -7 79.43 5.23 -4 15 -7 71.80 6.37 4 15 8 1.68 0.78 -4 -15 -8 2.44 0.93 -4 15 -8 2.93 1.27 4 16 -8 438.27 13.62 4 16 -7 3.24 1.05 4 16 -7 2.91 1.08 -4 16 7 2.01 1.12 4 16 -6 2.02 1.11 -4 16 6 2.81 1.19 -4 16 6 2.72 1.46 4 16 -6 1.62 1.02 4 16 -5 5.18 1.65 4 16 -5 4.84 1.51 4 16 -5 4.81 1.41 -4 16 5 7.65 2.21 4 16 -4 611.94 23.62 4 -16 -4 653.45 25.59 4 16 -4 648.97 22.80 4 16 -4 615.76 21.78 4 16 -4 646.97 21.74 -4 16 4 601.65 23.95 4 16 -3 130.42 8.22 4 -16 -3 115.31 9.13 4 16 -3 99.18 7.89 4 16 -3 106.76 6.83 4 16 -3 104.71 6.54 4 16 -3 98.68 7.09 4 -16 -2 135.68 10.10 4 16 -2 129.81 9.29 4 16 -2 129.77 7.62 4 16 -2 126.46 7.16 4 16 -2 132.67 8.31 4 -16 -1 2.47 1.64 4 16 -1 2.73 1.69 4 16 -1 2.91 1.30 4 16 -1 0.59 0.98 4 -16 0 1158.79 39.86 4 16 0 1199.50 39.12 4 16 0 1114.40 34.56 4 16 0 1166.92 36.20 -4 16 -1 1.48 1.16 4 16 1 1.46 1.01 -4 -16 -1 1.42 0.98 4 -16 1 2.80 1.69 4 16 1 2.81 1.54 -4 16 -2 48.74 5.49 -4 16 -2 48.07 5.63 4 16 2 57.36 5.55 -4 -16 -2 56.54 4.67 4 -16 2 51.11 5.46 -4 -16 -3 93.43 6.21 -4 16 -3 86.84 7.64 4 16 3 101.98 6.57 4 16 3 110.71 7.58 4 -16 3 90.47 6.87 -4 -16 -4 574.12 19.73 4 16 4 586.16 20.97 4 16 4 560.44 19.32 4 16 5 1.72 1.05 -4 16 -5 0.75 1.23 -4 -16 -5 2.41 1.07 -4 -16 -6 428.96 14.92 4 16 6 433.46 14.78 -4 -16 -7 20.30 2.09 4 16 7 20.64 2.09 -4 16 -7 21.72 2.85 4 16 8 92.22 3.97 -4 17 7 130.94 5.97 4 17 -7 124.25 5.29 4 17 -6 392.63 13.25 -4 17 6 409.04 14.19 4 17 -6 390.50 13.00 4 17 -6 383.90 13.03 -4 17 5 29.94 3.58 4 17 -5 30.09 2.87 4 17 -5 22.65 2.46 4 17 -4 40.59 3.83 -4 17 4 31.04 4.15 4 17 -4 40.66 3.55 4 17 -4 34.09 3.11 4 17 -3 194.88 8.94 4 17 -3 185.34 8.36 4 -17 -3 207.17 11.35 -4 17 3 181.71 11.16 4 17 -3 202.63 9.72 4 17 -2 305.47 12.81 4 17 -2 291.30 11.83 4 17 -2 285.93 11.08 4 17 -2 327.60 13.60 4 -17 -2 303.26 14.68 4 17 -1 191.44 9.41 4 -17 -1 204.74 11.34 4 17 -1 191.52 8.58 -4 17 1 190.53 10.13 -4 17 0 67.34 6.56 4 -17 0 70.35 6.12 4 17 0 70.09 5.01 -4 17 -1 460.96 19.41 4 -17 1 430.63 17.72 4 17 1 448.77 15.58 -4 -17 -2 493.68 16.44 4 -17 2 443.14 17.60 -4 17 -2 492.06 18.58 -4 -17 -3 83.75 5.07 -4 17 -3 86.72 6.48 -4 -17 -4 106.31 5.62 -4 17 -4 97.33 6.87 -4 -17 -5 608.27 18.90 -4 17 -5 621.93 21.60 -4 17 -6 2.48 1.07 -4 -17 -6 1.83 0.60 -4 17 -6 2.00 0.89 4 17 6 2.09 0.70 4 18 -6 48.28 2.59 4 18 -5 1.70 0.66 -4 18 5 3.90 1.01 4 18 -4 473.03 15.46 4 18 -4 431.12 14.51 -4 18 4 465.04 16.95 4 18 -3 67.12 4.43 4 18 -3 63.09 3.88 -4 18 3 67.41 5.54 4 18 -2 25.49 2.69 4 18 -2 25.62 2.32 4 18 -1 191.11 7.53 4 18 -1 227.97 9.08 4 -18 -1 214.30 10.16 -4 18 1 216.20 11.14 4 -18 0 150.17 8.02 4 18 0 157.41 7.06 -4 18 0 162.20 8.30 -4 18 0 174.39 9.60 4 -18 1 25.81 2.76 -4 18 -1 30.66 3.50 -4 18 -2 81.30 6.03 -4 18 -3 49.14 3.58 -4 18 -3 57.43 4.76 -4 18 -4 96.30 5.19 -4 18 -4 108.54 6.37 -4 18 -5 42.58 2.86 4 19 -4 47.48 2.63 -4 19 3 131.49 6.41 4 19 -3 126.46 5.37 4 19 -2 322.01 10.67 -4 19 1 16.32 2.23 4 19 -1 13.73 1.40 -4 19 0 3.29 1.07 -4 19 -1 812.77 24.32 4 19 1 859.46 24.72 -4 19 -2 300.43 10.81 -4 19 -3 4.93 1.00 5 0 -13 -0.13 0.64 5 0 -13 0.63 0.61 5 0 -13 2.48 0.80 5 0 -13 0.73 0.67 5 0 -13 1.51 0.75 5 0 -12 771.09 24.43 5 0 -12 748.80 26.64 5 0 -12 729.00 26.50 5 0 -12 728.54 23.82 5 0 -12 722.30 24.40 5 0 -11 0.97 1.14 5 0 -11 0.32 1.30 5 0 -11 2.30 1.68 5 0 -11 2.33 1.30 5 0 -10 109.61 7.88 5 0 -10 105.47 9.97 5 0 -10 103.94 9.76 5 0 -10 118.40 7.74 5 0 -9 1.49 1.21 5 0 -9 1.78 1.55 5 0 -9 1.79 1.81 5 0 -9 1.38 1.39 5 0 -9 2.14 1.52 5 0 -9 1.88 0.92 5 0 -8 624.10 30.06 5 0 -8 669.27 25.06 5 0 -8 672.46 30.89 5 0 -8 715.20 28.77 5 0 -8 694.03 24.34 5 0 -7 0.88 1.66 5 0 -7 2.99 2.01 5 0 -6 2052.79 67.75 5 0 -6 2118.29 61.75 5 0 -6 2230.69 65.94 5 0 -5 1.44 2.90 5 0 -5 5.10 1.60 5 0 -4 910.71 56.94 5 0 -4 1104.23 33.73 5 0 -3 8.00 4.31 5 0 -3 7.51 1.67 5 0 -2 2284.63 96.62 5 0 -2 2673.93 72.02 5 0 -1 1.75 2.16 5 0 -1 1.59 1.96 5 0 -1 0.25 0.57 5 0 0 11.84 4.35 5 0 0 11.82 1.80 5 0 0 8.48 3.97 5 0 1 1.35 1.92 -5 0 -1 2.82 1.77 -5 0 -2 2325.07 83.02 5 0 2 2832.41 91.30 -5 0 -3 0.26 0.81 -5 0 -3 2.67 2.33 -5 0 -4 2.54 3.13 -5 0 -4 2.18 1.54 -5 0 -5 1.43 3.51 -5 0 -5 3.72 2.05 -5 0 -6 1442.81 46.24 5 0 6 1448.08 43.49 -5 0 -6 1439.93 51.34 -5 0 -7 1.73 3.49 -5 0 -7 0.29 1.09 -5 0 -7 0.46 1.97 5 0 7 0.18 0.73 -5 0 -8 808.04 36.76 -5 0 -8 942.51 35.85 -5 0 -8 920.21 33.32 5 0 8 899.89 29.01 -5 0 -8 796.39 59.60 -5 0 -9 1.48 1.40 -5 0 -9 2.11 1.55 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712.95 26.21 5 12 5 735.55 30.80 5 12 5 706.43 24.51 5 -12 5 713.69 28.57 -5 12 -5 742.55 28.39 -5 -12 -6 690.22 24.48 5 12 6 643.36 24.14 5 12 6 709.19 24.70 5 12 6 726.75 23.73 5 -12 6 664.55 26.12 -5 12 -6 713.35 26.93 -5 -12 -7 41.35 4.15 5 12 7 36.05 3.81 5 12 7 39.96 3.98 5 12 7 36.17 3.59 5 -12 7 32.80 3.89 -5 12 -7 40.16 4.71 -5 -12 -8 385.37 14.64 5 12 8 378.88 14.23 5 12 8 379.87 13.90 -5 12 -8 381.14 15.84 5 12 9 745.28 22.66 5 12 9 746.23 22.47 -5 -12 -9 764.32 23.02 5 12 10 63.35 3.13 -5 13 10 382.14 12.53 -5 13 9 105.94 6.59 -5 13 8 70.48 6.08 5 13 -8 78.02 4.81 5 13 -8 67.13 5.82 -5 13 8 63.99 6.15 5 13 -7 895.93 28.12 5 13 -7 936.17 28.40 5 13 -7 797.68 30.63 -5 13 7 794.09 31.98 5 13 -6 4.30 2.16 5 13 -6 6.00 1.89 5 13 -6 6.47 1.86 5 13 -6 5.45 1.88 5 -13 -6 6.40 2.27 5 13 -6 4.03 1.93 5 13 -5 445.47 18.85 5 13 -5 465.10 22.06 5 13 -5 430.35 21.10 5 13 -5 444.33 18.48 5 13 -5 454.34 18.24 5 -13 -5 423.01 20.80 5 -13 -4 686.99 29.26 5 13 -4 690.33 28.97 -5 13 4 680.38 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11 -5 290.08 12.98 -7 11 4 24.04 4.58 7 -11 -4 25.85 3.66 7 11 -4 24.46 3.12 7 11 -4 24.21 3.49 7 11 -4 24.48 3.94 7 11 -3 56.44 4.89 7 -11 -3 59.11 6.03 7 11 -3 55.44 5.46 7 11 -3 68.80 6.78 -7 11 3 63.12 7.63 7 11 -3 52.89 5.24 7 -11 -2 242.96 13.86 7 11 -2 238.49 12.31 7 11 -2 235.64 12.61 7 11 -2 245.96 11.36 7 11 -1 195.64 12.45 7 -11 -1 184.21 12.10 7 11 -1 171.45 10.06 -7 11 1 188.32 13.25 7 11 -1 181.61 10.76 7 11 -1 183.71 10.50 7 11 0 8.25 2.58 7 -11 0 7.34 2.46 -7 11 0 11.20 3.13 7 11 0 8.18 2.19 7 11 0 8.80 2.43 7 11 1 3.98 1.89 7 11 1 8.31 2.29 -7 11 -1 1.63 1.61 7 11 1 5.98 1.99 7 11 1 4.60 1.66 7 11 2 736.69 26.62 7 11 2 821.46 27.81 7 -11 2 784.50 29.92 7 11 2 784.43 26.44 7 11 3 158.79 11.13 7 11 3 177.23 9.55 7 11 3 187.87 10.15 7 -11 3 193.94 11.62 7 11 3 171.72 8.81 7 11 4 40.72 5.04 7 11 4 45.02 4.18 7 11 4 47.55 4.50 7 -11 4 43.73 4.96 7 11 4 37.88 3.25 7 -11 5 271.88 12.95 7 11 5 308.36 12.35 7 11 5 272.82 13.48 7 11 5 282.25 11.66 7 11 6 611.67 19.85 7 -11 6 581.82 20.45 7 11 6 615.13 19.32 7 11 7 4.70 1.04 7 11 7 4.34 0.83 7 -11 7 3.38 0.90 7 12 -7 366.26 12.35 -7 12 7 363.98 14.01 7 12 -6 2.32 0.99 7 12 -6 5.36 1.37 7 12 -5 21.68 2.89 7 12 -5 21.39 2.79 7 12 -5 20.06 3.12 7 -12 -4 566.11 21.17 -7 12 4 606.71 25.04 7 12 -4 594.10 19.90 7 12 -4 565.61 21.04 7 -12 -3 109.33 7.78 7 12 -3 95.03 6.76 -7 12 3 108.39 9.38 7 12 -3 103.90 6.32 7 12 -3 101.46 7.17 7 -12 -2 38.29 4.79 7 12 -2 40.91 4.36 7 12 -2 37.39 4.37 7 12 -1 37.49 4.37 -7 12 1 31.10 4.98 7 12 -1 33.98 4.03 7 -12 -1 33.45 4.73 7 12 0 679.02 23.16 -7 12 0 664.82 26.28 7 12 0 619.56 23.18 7 12 1 3.76 1.76 7 12 1 8.06 2.17 7 12 1 8.82 2.03 -7 12 -1 8.26 2.42 7 -12 2 77.87 6.90 7 12 2 76.53 5.98 7 12 2 69.38 5.32 7 12 2 76.83 5.74 7 -12 3 90.91 7.13 7 12 3 108.02 6.83 7 12 3 89.50 5.58 7 12 3 95.96 6.23 7 -12 4 359.83 14.85 7 12 4 352.20 13.55 7 12 4 357.22 13.29 7 12 5 29.43 2.82 7 12 5 30.37 2.98 7 -12 5 25.23 2.99 7 12 6 261.08 9.15 7 -12 6 228.81 9.28 7 12 6 245.11 9.32 -7 -12 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2 326.08 17.51 8 9 -2 359.09 14.64 8 9 -2 330.31 13.81 8 9 -2 329.97 15.24 8 9 -1 20.27 3.41 8 9 -1 23.38 3.10 8 -9 -1 22.05 3.51 -8 9 1 25.10 4.36 8 9 -1 20.79 2.95 8 9 0 553.51 20.14 8 9 0 544.16 22.75 -8 9 0 610.96 27.13 8 -9 0 554.56 22.36 -8 9 0 604.98 24.25 8 9 0 579.55 20.54 8 9 1 186.14 11.36 8 9 1 170.20 9.47 -8 9 -1 205.71 13.87 8 9 1 201.69 9.73 8 -9 1 193.19 11.24 8 9 1 188.64 9.02 -8 -9 -2 153.04 8.19 8 9 2 136.36 7.87 8 9 2 155.59 7.94 8 -9 2 136.54 9.18 8 9 2 120.98 6.45 8 9 3 5.79 1.58 8 9 3 6.46 1.54 -8 9 -3 7.75 2.61 8 9 3 6.27 1.98 8 9 4 875.54 26.78 8 9 4 878.28 26.46 8 9 4 801.11 29.26 8 9 5 69.79 4.05 -8 -9 -5 102.11 6.27 8 -9 5 91.42 6.01 8 9 5 81.66 4.38 8 -9 6 59.44 4.21 -8 -9 -6 63.01 4.66 -8 -9 -6 70.24 4.63 -8 -9 -7 34.14 2.58 -8 10 7 118.00 5.63 8 10 -7 112.21 4.87 8 -10 -6 1.83 0.87 8 10 -5 1011.66 30.59 8 10 -5 967.48 30.05 8 10 -5 946.15 28.82 8 10 -4 276.11 12.24 8 10 -4 277.17 11.08 8 10 -4 278.32 11.80 -8 10 4 303.14 15.03 8 10 -3 4.53 1.36 8 10 -3 2.47 1.27 -8 10 3 4.89 2.05 8 10 -3 7.21 1.71 -8 10 2 118.34 9.18 8 10 -2 119.65 7.17 8 10 -2 118.20 6.90 8 10 -2 125.33 8.07 8 10 -1 1248.20 38.03 8 -10 -1 1222.69 39.57 8 10 -1 1251.19 38.11 -8 10 1 1370.89 42.95 8 10 0 104.67 7.73 8 10 0 111.94 6.76 8 -10 0 110.04 7.75 8 10 0 109.77 6.59 -8 10 0 124.79 8.80 8 10 1 47.12 4.11 8 -10 1 48.32 5.03 8 10 1 43.95 3.69 8 10 1 42.94 4.83 8 10 2 36.81 3.59 8 10 2 36.73 3.45 8 -10 2 33.68 4.08 8 10 2 28.73 2.66 8 10 3 1105.00 33.46 -8 -10 -3 1184.90 34.01 8 10 3 1130.69 33.18 8 10 3 1062.48 35.83 8 10 4 15.64 2.52 8 10 4 16.19 1.92 -8 -10 -4 16.24 2.26 8 -10 4 14.75 2.46 8 10 4 16.04 1.97 -8 -10 -5 351.70 11.66 8 -10 5 310.74 11.53 8 -10 6 10.30 1.36 -8 -10 -6 12.91 1.70 8 11 -6 8.85 1.23 8 -11 -6 8.71 1.18 -8 11 6 9.60 1.62 8 11 -5 5.92 1.09 8 11 -4 42.50 3.28 8 11 -4 46.70 3.95 8 11 -4 45.73 3.68 -8 11 4 54.15 5.13 8 11 -3 345.02 12.98 8 11 -3 356.72 14.28 8 11 -3 354.57 13.54 -8 11 3 384.17 16.70 8 11 -2 238.85 10.29 8 11 -2 242.09 11.43 8 11 -2 244.00 10.56 8 11 -1 3.44 1.50 8 11 -1 1.38 0.98 8 11 -1 2.90 1.18 8 -11 -1 2.65 1.28 -8 11 1 1.64 1.33 8 11 0 464.29 16.37 8 11 0 467.35 16.67 8 -11 0 469.41 18.10 -8 11 0 489.90 18.96 8 11 1 237.96 9.96 8 -11 1 230.62 11.18 8 11 1 222.88 9.20 8 11 1 224.26 11.25 8 11 2 84.20 5.00 8 11 2 70.17 3.90 8 11 2 83.24 6.13 8 11 3 330.53 11.97 -8 -11 -3 356.04 12.60 8 11 3 331.38 12.20 -8 -11 -4 778.89 21.32 8 -11 4 708.99 21.62 -8 -11 -5 20.75 1.95 8 -11 5 16.06 1.79 -8 12 5 246.55 9.40 8 12 -4 235.55 9.18 8 12 -4 212.53 8.03 8 12 -4 239.02 8.86 8 12 -3 3.92 0.98 8 12 -3 2.49 0.94 8 12 -3 3.68 1.19 8 12 -2 254.94 10.02 8 12 -2 252.71 9.84 8 12 -2 248.82 10.68 8 12 -1 358.35 12.73 8 12 -1 357.06 13.74 8 12 -1 349.40 12.66 8 -12 -1 341.99 13.42 8 -12 0 9.32 1.82 8 12 0 5.15 1.28 8 12 0 6.94 1.37 8 12 0 4.88 1.42 8 12 1 26.42 2.30 8 -12 1 33.07 3.36 8 12 1 31.70 2.78 8 12 2 226.83 8.72 8 -12 3 115.40 5.81 8 12 3 98.70 4.63 8 -12 4 18.46 1.80 8 13 -3 479.11 14.77 8 13 -3 491.61 15.24 8 13 -2 23.18 2.02 8 13 -2 20.95 1.84 8 13 -1 13.68 1.54 8 -13 -1 11.27 1.57 8 13 -1 14.58 1.59 8 13 0 62.65 3.35 8 -13 0 66.70 4.11 8 13 0 64.16 3.58 8 13 1 630.36 18.54 8 -13 2 24.62 2.16 9 0 -8 174.34 6.90 9 0 -7 0.79 0.83 9 0 -6 385.25 15.51 9 0 -5 0.42 1.03 9 0 -5 1.88 1.29 9 0 -4 20.66 3.41 9 0 -4 28.32 3.85 -9 0 3 3.06 1.61 9 0 -3 0.48 1.08 -9 0 2 692.96 24.73 9 0 -2 608.37 24.18 -9 0 1 -0.57 1.52 -9 0 1 0.49 1.30 9 0 -1 0.96 1.36 -9 0 0 3.48 1.86 -9 0 0 1.54 1.27 9 0 0 0.91 1.07 -9 0 -1 2.27 1.96 9 0 1 0.83 0.98 -9 0 -1 1.08 1.27 -9 0 -2 343.49 15.47 -9 0 -2 374.67 18.04 -9 0 -2 339.80 16.35 -9 0 -3 1.70 1.47 -9 0 -3 0.60 1.53 9 0 3 0.28 0.69 -9 0 -3 2.35 1.66 -9 0 -4 626.06 23.97 -9 0 -4 546.87 22.35 -9 0 -4 594.37 22.62 -9 0 -5 1.05 1.03 -9 0 -5 2.06 1.47 -9 0 -6 22.73 2.96 -9 0 -6 23.17 3.05 -9 0 -7 1.08 0.75 9 -1 -8 4.17 0.88 9 -1 -7 481.04 16.17 -9 1 7 432.30 15.11 9 -1 -6 22.66 3.01 9 -1 -5 542.78 21.44 9 1 -5 634.47 22.40 9 -1 -4 79.60 6.66 9 1 -4 90.62 7.17 9 -1 -4 91.37 6.97 -9 -1 4 99.47 7.01 9 1 -3 193.53 11.30 9 -1 -3 202.90 11.25 9 1 -3 184.59 8.90 9 -1 -2 9.07 2.32 9 1 -2 6.74 2.11 -9 -1 2 6.72 2.14 -9 1 2 4.04 1.77 9 -1 -1 1212.10 39.93 9 1 -1 1204.76 40.69 -9 -1 1 1278.65 41.66 -9 1 1 1319.29 43.18 -9 -1 1 1310.55 41.30 9 -1 0 8.38 2.08 9 1 0 7.64 2.19 -9 -1 0 9.89 2.49 -9 1 0 9.55 2.86 -9 -1 0 12.67 3.00 9 -1 1 165.29 9.32 9 1 1 185.71 10.43 -9 -1 -1 202.82 12.46 -9 -1 -1 183.94 11.30 -9 1 -1 200.62 12.84 -9 1 -2 1.91 1.49 -9 -1 -2 2.69 1.50 -9 -1 -2 2.76 1.75 -9 1 -2 6.15 2.52 -9 -1 -2 3.77 1.76 9 -1 2 1.98 1.02 -9 1 -3 1004.13 34.20 -9 -1 -3 1032.82 34.05 -9 -1 -3 1019.98 35.70 -9 -1 -3 934.46 34.19 -9 1 -3 1035.39 36.24 9 1 4 36.97 3.22 -9 -1 -4 53.14 5.69 -9 -1 -4 34.31 4.39 -9 1 -4 49.68 5.59 -9 1 -4 41.87 4.77 -9 -1 -4 43.17 4.75 -9 -1 -5 23.39 3.48 -9 -1 -5 23.86 3.35 -9 1 -5 18.96 3.11 -9 -1 -5 23.90 3.38 -9 1 -6 40.10 3.99 -9 -1 -6 40.67 4.00 -9 1 -6 32.37 3.60 -9 -1 -6 41.95 3.98 -9 -1 -7 672.32 21.38 -9 -1 -7 763.49 22.24 9 -2 -8 17.48 1.59 9 2 -8 19.47 1.67 9 -2 -8 15.64 1.47 -9 2 7 8.33 1.44 9 -2 -7 11.73 1.69 9 -2 -7 12.75 1.87 9 2 -7 10.13 1.70 9 -2 -6 526.54 19.08 9 2 -6 537.09 19.20 9 2 -5 58.52 5.30 9 2 -5 61.68 4.57 9 -2 -5 51.98 4.98 9 2 -5 57.49 5.23 9 2 -4 74.49 5.20 9 2 -4 66.47 6.03 9 -2 -4 63.67 5.84 9 2 -4 82.25 6.70 9 -2 -4 75.18 6.13 -9 -2 4 93.13 6.53 -9 2 4 81.64 6.19 9 2 -3 39.65 4.76 9 -2 -3 38.34 4.39 -9 -2 3 45.08 4.66 -9 2 3 47.29 4.79 9 2 -3 38.27 3.58 9 2 -2 668.54 25.60 9 -2 -2 643.68 24.29 -9 2 2 681.73 26.12 -9 -2 2 733.75 25.46 -9 2 2 678.48 24.96 9 -2 -1 104.78 7.25 9 2 -1 97.79 7.73 -9 2 1 109.93 9.03 -9 -2 1 97.74 7.50 -9 -2 1 106.26 7.88 -9 2 1 103.20 7.76 9 -2 0 5.56 1.68 9 2 0 5.64 2.07 -9 -2 0 10.82 2.66 -9 2 0 10.73 2.57 -9 -2 0 9.65 2.64 -9 2 0 11.45 3.08 9 -2 1 212.32 10.15 -9 -2 -1 258.83 13.87 -9 -2 -1 233.06 12.76 -9 2 -1 215.80 12.36 -9 2 -1 241.75 14.52 -9 -2 -2 1536.92 48.35 -9 -2 -2 1373.42 46.37 -9 2 -2 1379.44 46.30 -9 2 -2 1567.46 49.89 -9 2 -2 1464.87 46.11 -9 -2 -2 1508.23 45.15 -9 -2 -3 37.69 4.96 -9 -2 -3 43.41 4.98 -9 2 -3 36.46 4.62 -9 2 -3 41.42 5.42 -9 2 -3 43.56 4.97 -9 -2 -3 38.76 4.50 -9 -2 -4 162.62 10.05 -9 -2 -4 136.79 9.06 -9 2 -4 130.05 8.77 -9 2 -4 138.78 9.65 -9 2 -4 147.62 9.26 -9 -2 -4 160.91 9.31 -9 -2 -5 386.11 16.19 -9 2 -5 382.16 15.80 -9 -2 -5 403.50 15.77 -9 -2 -5 336.58 15.04 -9 2 -5 321.10 14.81 -9 2 -5 380.73 16.29 -9 2 -6 275.48 11.86 -9 -2 -6 268.92 11.64 -9 -2 -7 107.78 5.40 9 -3 -7 345.97 12.53 9 3 -7 352.18 12.75 -9 -3 6 62.23 4.44 9 -3 -6 50.24 4.04 9 -3 -6 51.66 4.20 9 3 -6 52.43 4.32 9 3 -5 172.58 8.45 -9 -3 5 202.41 9.40 -9 3 5 203.19 9.51 9 -3 -5 168.72 8.61 9 -3 -5 168.58 9.21 9 3 -5 162.45 9.22 -9 -3 4 665.66 21.57 -9 3 4 624.55 21.28 9 3 -4 532.90 21.45 9 3 -4 571.36 19.70 9 3 -4 529.44 21.26 9 -3 -4 530.18 21.12 9 3 -3 351.48 14.02 9 3 -3 359.23 16.44 9 -3 -3 371.58 15.58 -9 -3 3 403.78 16.08 -9 3 3 400.08 16.01 9 -3 -2 1.90 1.18 9 3 -2 1.47 1.31 -9 -3 2 2.79 1.40 -9 3 2 1.91 1.39 -9 3 2 1.92 1.46 9 3 -2 1.05 0.90 -9 -3 1 449.85 18.62 -9 3 1 458.64 18.70 9 3 -1 453.81 19.18 -9 3 1 495.28 21.48 -9 -3 0 121.30 8.59 -9 3 0 124.85 8.68 -9 3 0 144.59 10.77 -9 -3 0 129.24 8.92 -9 -3 -1 29.07 4.07 -9 3 -1 27.57 3.93 -9 -3 -1 26.31 4.03 -9 3 -1 24.25 4.53 -9 -3 -2 18.92 3.36 -9 3 -2 16.57 3.16 -9 -3 -2 24.77 3.97 -9 3 -2 24.12 4.40 -9 -3 -3 782.70 29.16 -9 3 -3 805.50 29.29 -9 -3 -3 855.13 28.77 -9 -3 -3 928.96 31.31 -9 3 -3 895.81 32.11 -9 -3 -4 221.70 10.99 -9 -3 -4 231.58 12.03 -9 -3 -4 195.91 10.75 -9 3 -4 190.71 10.63 -9 -3 -5 10.63 2.35 -9 3 -5 8.01 2.22 -9 -3 -5 8.47 1.99 -9 3 -6 272.62 11.54 9 -3 6 258.80 10.22 -9 -3 -6 283.91 11.42 9 -4 -7 181.45 7.16 9 -4 -7 152.07 6.27 9 -4 -6 47.35 3.79 9 4 -6 52.49 3.85 9 -4 -6 44.46 3.60 9 4 -5 170.15 9.12 9 -4 -5 157.42 8.34 9 4 -5 153.85 8.40 9 -4 -5 162.64 8.28 -9 -4 5 174.15 8.29 -9 4 5 178.67 8.47 9 4 -5 172.35 8.16 -9 -4 4 57.49 4.67 -9 4 4 52.02 4.47 9 -4 -4 53.95 4.86 9 4 -4 52.83 4.88 9 4 -4 57.78 4.46 -9 -4 3 323.96 13.73 -9 4 3 334.37 13.86 9 4 -3 303.24 12.50 -9 4 2 333.57 15.95 9 4 -2 313.12 14.81 -9 -4 2 314.21 13.87 -9 4 2 321.19 13.93 9 4 -2 277.19 11.77 -9 4 1 184.06 11.89 -9 -4 1 147.82 9.23 -9 4 1 169.10 9.70 9 4 -1 169.38 10.31 -9 -4 0 62.88 5.82 -9 4 0 61.86 5.75 -9 4 0 85.86 8.13 -9 -4 0 76.64 6.23 -9 -4 -1 661.15 25.08 -9 4 -1 651.25 24.91 -9 -4 -1 704.81 25.91 -9 -4 -2 334.45 15.41 -9 4 -2 318.04 15.09 -9 -4 -2 382.59 16.73 -9 4 -2 370.70 18.13 -9 4 -3 26.30 4.31 -9 -4 -3 24.96 3.26 -9 -4 -3 25.92 3.58 -9 4 -3 27.04 3.61 -9 -4 -3 28.51 4.01 -9 -4 -4 178.86 9.32 9 4 4 162.64 9.15 -9 -4 -4 165.48 9.12 -9 4 -4 156.54 8.93 -9 -4 -5 195.39 10.06 -9 4 -5 202.20 10.43 -9 -4 -5 201.99 9.54 9 -4 5 187.74 8.82 -9 -4 -6 200.14 8.41 9 -4 6 166.90 7.43 9 -5 -7 94.26 4.59 -9 5 6 44.66 3.96 9 -5 -6 37.33 3.16 9 5 -6 40.56 3.19 9 -5 -6 33.51 2.62 9 -5 -5 7.86 1.61 9 -5 -5 14.39 2.14 -9 5 5 14.87 2.89 9 5 -5 11.87 2.17 9 5 -5 12.28 1.92 9 5 -4 220.53 9.51 9 5 -4 197.83 10.33 9 -5 -4 185.88 9.38 -9 -5 4 203.60 9.33 9 -5 -4 211.53 9.72 9 5 -3 165.94 8.01 -9 -5 3 153.99 8.23 9 -5 -3 149.55 8.43 9 5 -2 11.39 1.89 -9 5 2 11.99 2.85 -9 -5 2 10.30 2.10 9 5 -1 271.32 11.36 -9 -5 1 292.77 13.07 9 5 -1 268.54 10.87 9 5 0 960.94 33.03 -9 -5 0 992.10 32.60 9 5 0 978.40 30.54 9 5 1 2.66 1.45 -9 -5 -1 0.64 1.09 -9 5 -1 0.33 1.47 -9 -5 -1 0.20 0.81 -9 5 -2 53.89 6.14 -9 -5 -2 56.03 5.31 -9 -5 -2 43.11 4.38 -9 -5 -3 46.58 4.36 -9 -5 -3 47.83 4.12 -9 5 -3 53.31 5.79 9 5 3 37.40 4.25 -9 -5 -3 46.58 4.92 9 -5 4 197.48 9.37 -9 -5 -4 203.81 9.56 -9 5 -4 209.01 11.37 9 5 4 180.37 9.64 -9 -5 -4 224.96 10.96 -9 -5 -5 14.44 2.41 -9 -5 -5 13.52 2.08 9 -5 5 13.37 1.98 -9 5 -5 14.07 2.49 -9 -5 -6 210.09 8.12 -9 -5 -6 228.10 9.08 -9 6 6 50.22 3.84 9 6 -6 50.04 3.35 9 -6 -6 38.80 3.11 9 -6 -5 249.54 9.80 9 6 -5 263.55 9.68 9 6 -5 239.16 9.90 9 -6 -4 16.68 2.09 9 -6 -4 18.32 2.46 9 6 -4 19.05 2.40 9 6 -4 20.78 2.82 -9 6 4 23.37 3.69 9 6 -3 230.30 11.05 -9 6 3 234.04 12.80 9 6 -3 225.76 9.59 9 6 -3 215.39 8.83 -9 6 2 112.92 8.44 9 -6 -2 81.17 5.57 9 6 -2 102.39 5.72 9 6 -2 95.78 5.57 -9 -6 2 92.27 5.83 9 6 -1 264.15 10.92 -9 -6 1 243.22 11.13 -9 6 1 319.45 14.82 9 6 -1 235.45 9.87 -9 6 1 303.52 15.20 9 6 0 125.73 7.03 -9 6 0 149.74 9.25 -9 -6 0 122.58 7.32 9 6 0 125.63 8.07 -9 -6 -1 539.07 20.20 -9 -6 -1 638.52 21.37 -9 6 -1 702.91 26.10 9 6 1 539.51 21.37 -9 -6 -2 93.38 6.45 -9 6 -2 82.59 7.45 9 6 2 71.75 5.93 -9 -6 -3 43.17 4.39 9 -6 4 2.13 1.09 -9 -6 -4 1.51 1.12 -9 6 -4 1.62 1.19 -9 -6 -4 1.05 0.74 9 -6 5 995.51 30.73 -9 -6 -5 997.67 30.43 9 -7 -6 2.84 0.78 9 7 -6 2.39 0.72 9 -7 -5 59.71 4.05 9 7 -5 66.60 4.11 9 -7 -4 985.89 30.76 9 7 -4 976.84 31.10 9 7 -4 1035.15 30.50 9 7 -3 8.83 1.50 9 7 -3 11.29 1.81 9 7 -3 10.04 1.98 9 7 -2 21.85 2.50 9 7 -2 18.79 2.26 9 7 -2 24.31 3.23 -9 7 2 24.72 3.78 9 7 -1 79.08 5.12 -9 7 1 89.36 6.96 9 7 -1 69.68 4.38 9 7 -1 84.16 6.21 9 7 0 728.95 25.94 9 7 0 780.98 24.87 9 7 1 6.62 1.78 -9 7 -1 7.73 2.33 9 7 2 153.05 8.81 -9 -7 -2 174.94 8.60 -9 -7 -3 3.40 1.19 9 -7 3 3.49 1.20 -9 7 -4 739.20 23.81 -9 -7 -4 725.78 22.53 9 -7 5 22.20 2.07 -9 -7 -5 26.84 2.48 9 8 -5 513.90 16.14 9 -8 -5 477.95 16.18 9 8 -4 6.99 1.28 -9 8 4 8.39 1.94 9 -8 -4 5.88 1.28 9 8 -3 57.76 3.78 9 8 -3 48.83 3.38 9 8 -2 2.86 0.99 9 8 -2 1.18 0.94 9 8 -2 0.39 0.49 -9 8 2 1.24 1.14 9 8 -1 213.92 9.03 -9 8 1 233.68 11.17 9 8 -1 212.12 9.91 9 8 0 4.81 1.27 9 8 0 3.09 1.27 9 8 1 361.42 13.21 -9 -8 -2 48.75 3.33 -9 -8 -3 69.82 4.25 9 -8 3 78.15 4.68 9 -8 4 3.70 0.93 9 9 -4 227.82 8.39 9 -9 -4 226.60 8.64 9 9 -3 57.39 3.41 9 9 -3 53.34 3.21 9 9 -2 19.63 1.94 9 9 -2 22.86 2.23 9 9 -1 203.97 8.24 9 9 -1 208.07 8.78 9 9 0 189.45 8.61 9 9 0 183.93 7.92 9 9 1 79.98 4.60 9 9 2 101.93 5.04 9 -9 3 1.67 0.64 9 -10 -3 382.99 11.98 9 10 -2 164.41 6.29 9 10 -1 108.25 4.96 9 10 0 4.85 0.98 9 10 1 224.43 8.57 9 10 1 245.74 8.46 9 10 2 20.77 1.82 10 0 -4 570.17 18.13 10 0 -3 1.41 0.80 10 0 -2 322.43 12.59 10 0 -1 0.66 0.68 10 0 0 355.37 11.69 -10 0 -1 1.10 0.92 -10 0 -2 4.24 1.32 -10 0 -3 1.85 0.90 10 -1 -4 28.21 2.46 10 -1 -3 13.08 1.89 10 -1 -2 6.50 1.51 10 1 -2 10.49 1.72 10 1 -1 638.43 20.26 -10 1 0 50.21 3.84 10 1 0 45.01 3.25 -10 1 -1 146.93 7.66 -10 -1 -1 132.95 6.80 -10 -1 -2 45.35 3.76 -10 1 -2 52.36 4.24 -10 -1 -3 165.46 7.68 -10 1 -3 185.64 8.32 10 -2 -4 116.99 5.63 10 2 -4 125.56 5.75 10 -2 -3 15.32 1.96 10 2 -3 16.96 2.06 10 2 -3 21.27 2.28 10 -2 -2 103.62 6.11 10 2 -2 112.90 6.22 10 2 -1 14.11 1.95 -10 2 0 777.53 24.21 10 2 0 758.90 23.32 -10 2 -1 131.40 6.89 10 2 1 83.72 4.52 -10 -2 -2 50.42 3.66 -10 2 -2 56.08 4.45 -10 2 -3 258.39 10.46 -10 3 4 159.98 7.29 10 -3 -3 4.66 0.99 10 3 -3 5.38 1.21 10 -3 -2 6.52 1.29 10 3 -2 5.80 1.23 10 3 -2 9.04 1.58 10 -3 -1 5.87 1.28 10 3 -1 7.09 1.34 -10 3 1 8.90 1.76 10 3 -1 5.76 1.33 10 3 0 249.55 9.78 -10 3 -1 69.29 4.80 10 3 1 51.43 3.40 -10 3 -2 559.98 19.02 -10 3 -3 269.91 10.41 10 4 -3 392.36 13.19 -10 4 2 48.38 3.84 10 4 -2 36.31 3.03 10 -4 -1 2.01 0.69 10 4 -1 7.08 1.37 10 -4 0 139.83 6.80 10 4 0 385.52 10.22 10 4 1 88.45 4.54 -10 4 -2 4.90 1.23 10 5 -2 694.14 21.96 -10 5 2 819.49 23.37 10 5 -1 228.42 8.83 10 5 0 151.33 6.56 10 5 1 52.84 3.14 0 0 0 0.00 0.00 TITL 24VDB_R25_faces in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 1.54184 8.157194 16.717096 12.134035 90.0000 92.3390 90.0000 ZERR 4.00 0.000067 0.000147 0.000084 0.0000 0.0007 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O Br UNIT 76.00 72.00 4.00 12.00 4.00 REM CrysAlisPro recorded range (K): Min=100.0; max=100.0; aver:100.0 TEMP -173 SIZE 0.21 0.35 0.54 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 20441 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.069 _oxdiff_exptl_absorpt_empirical_full_min 0.465 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -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 Br1 Br 0.85661(2) 0.46798(2) 1.10981(2) 0.01573(11) Uani 1 1 d . . . . . O1 O 0.53486(16) 0.30159(8) 0.81566(11) 0.0151(3) Uani 1 1 d . . . . . N1 N 0.94602(19) 0.35812(9) 0.89320(13) 0.0137(3) Uani 1 1 d . . . . . C1 C 0.6640(2) 0.41659(11) 1.05520(15) 0.0137(3) Uani 1 1 d . . . . . O2 O 1.02711(16) 0.32902(8) 0.79872(11) 0.0150(3) Uani 1 1 d . . . . . C2 C 0.5193(2) 0.42394(12) 1.11150(16) 0.0159(4) Uani 1 1 d . . . . . H2 H 0.518325 0.451593 1.179873 0.019 Uiso 1 1 calc R U . . . O3 O 0.66171(18) 0.48872(10) 0.37752(11) 0.0190(3) Uani 1 1 d . . . . . C3 C 0.3754(2) 0.38988(12) 1.06559(17) 0.0181(4) Uani 1 1 d . . . . . H3 H 0.276786 0.395208 1.103981 0.022 Uiso 1 1 calc R U . . . C4 C 0.3709(2) 0.34849(12) 0.96588(16) 0.0169(4) Uani 1 1 d . . . . . H4 H 0.271977 0.326087 0.935572 0.020 Uiso 1 1 calc R U . . . C5 C 0.5179(2) 0.34154(11) 0.91291(15) 0.0137(3) Uani 1 1 d . . . . . C6 C 0.6651(2) 0.37485(11) 0.95631(15) 0.0132(3) Uani 1 1 d . . . . . C7 C 0.7894(2) 0.35454(11) 0.87843(15) 0.0125(3) Uani 1 1 d . . . . . C8 C 0.7031(2) 0.31516(11) 0.78006(15) 0.0130(3) Uani 1 1 d . . . . . C9 C 0.7906(2) 0.23511(11) 0.76547(16) 0.0152(4) Uani 1 1 d . . . . . H9A H 0.746349 0.208130 0.697976 0.018 Uiso 1 1 calc R U . . . H9B H 0.771224 0.199979 0.829322 0.018 Uiso 1 1 calc R U . . . C10 C 0.9767(2) 0.24974(11) 0.75632(15) 0.0143(4) Uani 1 1 d . . . . . C11 C 1.0281(2) 0.25230(12) 0.63762(16) 0.0178(4) Uani 1 1 d . . . . . H11A H 1.005898 0.200383 0.602587 0.027 Uiso 1 1 calc R U . . . H11B H 1.145703 0.264076 0.636020 0.027 Uiso 1 1 calc R U . . . H11C H 0.966044 0.294078 0.597576 0.027 Uiso 1 1 calc R U . . . C12 C 1.0742(3) 0.18651(12) 0.82279(16) 0.0199(4) Uani 1 1 d . . . . . H12A H 1.040744 0.133020 0.797637 0.030 Uiso 1 1 calc R U . . . H12B H 1.052590 0.192267 0.901250 0.030 Uiso 1 1 calc R U . . . H12C H 1.191681 0.193798 0.812000 0.030 Uiso 1 1 calc R U . . . C13 C 0.6930(2) 0.36574(11) 0.67630(15) 0.0133(3) Uani 1 1 d . . . . . C14 C 0.7713(2) 0.43909(12) 0.66763(15) 0.0155(4) Uani 1 1 d . . . . . H14 H 0.830143 0.460473 0.730078 0.019 Uiso 1 1 calc R U . . . C15 C 0.7652(2) 0.48205(12) 0.56871(16) 0.0163(4) Uani 1 1 d . . . . . H15 H 0.821127 0.531701 0.563758 0.020 Uiso 1 1 calc R U . . . C16 C 0.6767(2) 0.45163(12) 0.47737(15) 0.0148(4) Uani 1 1 d . . . . . C17 C 0.5948(2) 0.37839(12) 0.48587(15) 0.0150(4) Uani 1 1 d . . . . . H17 H 0.532777 0.357867 0.424231 0.018 Uiso 1 1 calc R U . . . C18 C 0.6040(2) 0.33586(11) 0.58359(15) 0.0147(4) Uani 1 1 d . . . . . H18 H 0.549441 0.285830 0.588166 0.018 Uiso 1 1 calc R U . . . C19 C 0.7513(3) 0.56137(13) 0.36460(17) 0.0201(4) Uani 1 1 d . . . . . H19A H 0.727982 0.583014 0.290552 0.030 Uiso 1 1 calc R U . . . H19B H 0.869065 0.550597 0.374544 0.030 Uiso 1 1 calc R U . . . H19C H 0.718263 0.600309 0.419838 0.030 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 Br1 0.01468(14) 0.01653(15) 0.01588(14) -0.00362(6) -0.00062(8) -0.00197(6) O1 0.0110(6) 0.0181(6) 0.0161(6) -0.0020(5) 0.0002(5) -0.0037(5) N1 0.0137(7) 0.0147(7) 0.0127(7) -0.0014(6) 0.0011(6) 0.0005(6) C1 0.0126(8) 0.0137(8) 0.0146(8) 0.0025(7) -0.0015(6) 0.0004(6) O2 0.0138(6) 0.0155(6) 0.0160(6) -0.0048(5) 0.0035(5) -0.0019(5) C2 0.0159(9) 0.0155(8) 0.0163(8) 0.0007(7) 0.0024(7) 0.0010(7) O3 0.0209(7) 0.0227(7) 0.0134(6) 0.0030(5) -0.0004(5) -0.0012(6) C3 0.0140(9) 0.0193(9) 0.0213(9) 0.0035(7) 0.0041(7) 0.0020(7) C4 0.0123(8) 0.0171(9) 0.0212(9) 0.0028(7) -0.0007(7) -0.0011(7) C5 0.0138(8) 0.0119(8) 0.0152(8) 0.0026(6) -0.0016(7) -0.0005(7) C6 0.0121(8) 0.0132(8) 0.0141(8) 0.0019(6) -0.0010(6) -0.0002(6) C7 0.0138(8) 0.0113(8) 0.0125(8) 0.0006(6) -0.0009(6) 0.0005(6) C8 0.0093(8) 0.0152(8) 0.0143(8) 0.0001(6) 0.0006(6) -0.0021(6) C9 0.0154(8) 0.0122(8) 0.0178(8) -0.0001(7) -0.0002(7) -0.0014(7) C10 0.0151(8) 0.0136(9) 0.0142(8) -0.0022(6) -0.0007(7) 0.0009(7) C11 0.0192(9) 0.0190(9) 0.0153(9) -0.0009(7) 0.0011(7) 0.0000(7) C12 0.0225(10) 0.0190(9) 0.0181(9) 0.0001(7) -0.0023(7) 0.0049(8) C13 0.0116(8) 0.0146(8) 0.0135(8) -0.0006(6) -0.0007(6) 0.0020(6) C14 0.0157(9) 0.0158(9) 0.0147(8) -0.0014(7) -0.0026(7) -0.0007(7) C15 0.0159(9) 0.0144(8) 0.0185(9) 0.0004(7) -0.0013(7) -0.0023(7) C16 0.0142(9) 0.0178(8) 0.0124(8) 0.0006(7) 0.0007(7) 0.0031(7) C17 0.0129(8) 0.0182(9) 0.0137(8) -0.0030(7) -0.0018(6) 0.0015(7) C18 0.0134(8) 0.0147(8) 0.0159(8) -0.0029(7) 0.0001(7) 0.0003(7) C19 0.0196(9) 0.0213(10) 0.0195(9) 0.0052(8) 0.0023(7) 0.0013(8) 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' Br Br -0.6763 1.2805 '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_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 -2 -1 0.1349 0 2 1 0.1980 0 1 -2 0.2029 -2 -1 -1 0.0664 1 1 0 0.0798 1 0 0 0.0552 1 -1 1 0.1848 0 1 -1 0.1843 0 2 -1 0.1847 -1 1 1 0.2557 0 -2 1 0.2301 1 0 -2 0.1717 0 1 0 0.1481 -2 0 -1 0.0675 1 -1 0 0.0467 1 1 1 0.1884 2 2 1 0.1310 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 C5 O1 C8 107.83(14) . . ? C7 N1 O2 111.22(14) . . ? C2 C1 Br1 119.84(14) . . ? C6 C1 Br1 119.82(14) . . ? C6 C1 C2 120.27(17) . . ? N1 O2 C10 116.96(13) . . ? C1 C2 H2 120.6 . . ? C1 C2 C3 118.84(18) . . ? C3 C2 H2 120.6 . . ? C16 O3 C19 117.18(15) . . ? C2 C3 H3 118.7 . . ? C4 C3 C2 122.66(18) . . ? C4 C3 H3 118.7 . . ? C3 C4 H4 121.6 . . ? C5 C4 C3 116.82(18) . . ? C5 C4 H4 121.6 . . ? O1 C5 C4 124.06(17) . . ? O1 C5 C6 113.65(16) . . ? C4 C5 C6 122.28(18) . . ? C1 C6 C5 119.12(17) . . ? C1 C6 C7 135.12(17) . . ? C5 C6 C7 105.77(16) . . ? N1 C7 C6 127.91(17) . . ? N1 C7 C8 124.01(16) . . ? C6 C7 C8 107.45(15) . . ? O1 C8 C7 104.20(14) . . ? O1 C8 C9 110.11(15) . . ? O1 C8 C13 108.07(14) . . ? C7 C8 C9 105.52(15) . . ? C7 C8 C13 114.86(15) . . ? C13 C8 C9 113.65(15) . . ? C8 C9 H9A 109.8 . . ? C8 C9 H9B 109.8 . . ? C8 C9 C10 109.51(15) . . ? H9A C9 H9B 108.2 . . ? C10 C9 H9A 109.8 . . ? C10 C9 H9B 109.8 . . ? O2 C10 C9 112.21(14) . . ? O2 C10 C11 102.82(15) . . ? O2 C10 C12 107.75(15) . . ? C11 C10 C9 112.53(15) . . ? C11 C10 C12 111.18(16) . . ? C12 C10 C9 110.08(16) . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11B 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 C8 123.10(16) . . ? C14 C13 C18 118.52(17) . . ? C18 C13 C8 118.36(17) . . ? C13 C14 H14 119.4 . . ? C13 C14 C15 121.23(17) . . ? C15 C14 H14 119.4 . . ? C14 C15 H15 120.2 . . ? C16 C15 C14 119.62(18) . . ? C16 C15 H15 120.2 . . ? O3 C16 C15 124.46(18) . . ? O3 C16 C17 115.97(17) . . ? C15 C16 C17 119.57(18) . . ? C16 C17 H17 119.9 . . ? C18 C17 C16 120.25(17) . . ? C18 C17 H17 119.9 . . ? C13 C18 H18 119.6 . . ? C17 C18 C13 120.79(18) . . ? C17 C18 H18 119.6 . . ? O3 C19 H19A 109.5 . . ? O3 C19 H19B 109.5 . . ? O3 C19 H19C 109.5 . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Br1 C1 1.8872(19) . ? O1 C5 1.368(2) . ? O1 C8 1.473(2) . ? N1 O2 1.4319(19) . ? N1 C7 1.284(2) . ? C1 C2 1.393(3) . ? C1 C6 1.388(3) . ? O2 C10 1.474(2) . ? C2 H2 0.9500 . ? C2 C3 1.400(3) . ? O3 C16 1.362(2) . ? O3 C19 1.429(3) . ? C3 H3 0.9500 . ? C3 C4 1.393(3) . ? C4 H4 0.9500 . ? C4 C5 1.388(3) . ? C5 C6 1.407(3) . ? C6 C7 1.454(3) . ? C7 C8 1.512(2) . ? C8 C9 1.530(3) . ? C8 C13 1.516(2) . ? C9 H9A 0.9900 . ? C9 H9B 0.9900 . ? C9 C10 1.546(3) . ? C10 C11 1.517(3) . ? C10 C12 1.533(3) . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C14 1.389(3) . ? C13 C18 1.406(2) . ? C14 H14 0.9500 . ? C14 C15 1.398(3) . ? C15 H15 0.9500 . ? C15 C16 1.394(3) . ? C16 C17 1.400(3) . ? C17 H17 0.9500 . ? C17 C18 1.382(3) . ? C18 H18 0.9500 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Br1 C1 C2 C3 175.71(14) . . . . ? Br1 C1 C6 C5 -175.67(13) . . . . ? Br1 C1 C6 C7 4.3(3) . . . . ? O1 C5 C6 C1 -179.67(16) . . . . ? O1 C5 C6 C7 0.4(2) . . . . ? O1 C8 C9 C10 -166.27(14) . . . . ? O1 C8 C13 C14 122.32(18) . . . . ? O1 C8 C13 C18 -59.5(2) . . . . ? N1 O2 C10 C9 36.6(2) . . . . ? N1 O2 C10 C11 157.79(14) . . . . ? N1 O2 C10 C12 -84.70(18) . . . . ? N1 C7 C8 O1 161.59(17) . . . . ? N1 C7 C8 C9 45.6(2) . . . . ? N1 C7 C8 C13 -80.4(2) . . . . ? C1 C2 C3 C4 0.3(3) . . . . ? C1 C6 C7 N1 15.1(4) . . . . ? C1 C6 C7 C8 -173.8(2) . . . . ? O2 N1 C7 C6 176.91(17) . . . . ? O2 N1 C7 C8 7.1(2) . . . . ? C2 C1 C6 C5 1.2(3) . . . . ? C2 C1 C6 C7 -178.8(2) . . . . ? C2 C3 C4 C5 0.5(3) . . . . ? O3 C16 C17 C18 179.38(17) . . . . ? C3 C4 C5 O1 178.75(17) . . . . ? C3 C4 C5 C6 -0.5(3) . . . . ? C4 C5 C6 C1 -0.4(3) . . . . ? C4 C5 C6 C7 179.64(17) . . . . ? C5 O1 C8 C7 10.17(18) . . . . ? C5 O1 C8 C9 122.91(16) . . . . ? C5 O1 C8 C13 -112.43(16) . . . . ? C5 C6 C7 N1 -164.95(19) . . . . ? C5 C6 C7 C8 6.2(2) . . . . ? C6 C1 C2 C3 -1.2(3) . . . . ? C6 C7 C8 O1 -9.98(19) . . . . ? C6 C7 C8 C9 -125.98(16) . . . . ? C6 C7 C8 C13 108.04(17) . . . . ? C7 N1 O2 C10 -51.6(2) . . . . ? C7 C8 C9 C10 -54.38(19) . . . . ? C7 C8 C13 C14 6.5(3) . . . . ? C7 C8 C13 C18 -175.32(16) . . . . ? C8 O1 C5 C4 173.79(17) . . . . ? C8 O1 C5 C6 -6.9(2) . . . . ? C8 C9 C10 O2 18.4(2) . . . . ? C8 C9 C10 C11 -96.97(18) . . . . ? C8 C9 C10 C12 138.42(16) . . . . ? C8 C13 C14 C15 176.95(18) . . . . ? C8 C13 C18 C17 -178.10(17) . . . . ? C9 C8 C13 C14 -115.2(2) . . . . ? C9 C8 C13 C18 63.0(2) . . . . ? C13 C8 C9 C10 72.34(19) . . . . ? C13 C14 C15 C16 1.1(3) . . . . ? C14 C13 C18 C17 0.2(3) . . . . ? C14 C15 C16 O3 179.53(18) . . . . ? C14 C15 C16 C17 0.0(3) . . . . ? C15 C16 C17 C18 -1.1(3) . . . . ? C16 C17 C18 C13 1.0(3) . . . . ? C18 C13 C14 C15 -1.2(3) . . . . ? C19 O3 C16 C15 3.8(3) . . . . ? C19 O3 C16 C17 -176.64(17) . . . . ? 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 0.0000 -2.0000 -1.0000 0.1294 -0.1827 0.0003 -0.0000 2.0000 1.0000 -0.1294 0.1827 -0.0003 -0.0000 1.0000 -2.0000 0.1282 0.0073 0.2378 -2.0000 -1.0000 -1.0000 0.3929 0.0862 -0.0981 1.0000 1.0000 -0.0000 -0.1709 -0.0226 0.1204 1.0000 0.0000 0.0000 -0.1448 -0.0972 0.0729 1.0000 -1.0000 1.0000 -0.1959 -0.1381 -0.0697 -0.0000 1.0000 -1.0000 0.0511 0.0410 0.1426 -0.0000 2.0000 -1.0000 0.0250 0.1155 0.1900 -1.0000 1.0000 1.0000 0.0415 0.2054 -0.1207 0.0000 -2.0000 1.0000 -0.0250 -0.1155 -0.1900 1.0000 0.0000 -2.0000 0.0095 -0.1644 0.2633 -0.0000 1.0000 -0.0000 -0.0261 0.0746 0.0474 -2.0000 0.0000 -1.0000 0.3668 0.1608 -0.0507 1.0000 -1.0000 0.0000 -0.1187 -0.1717 0.0255 1.0000 1.0000 1.0000 -0.2481 0.0110 0.0252 2.0000 2.0000 1.0000 -0.4190 -0.0116 0.1456