#============================================================================= data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 17 _journal_issue 2 _journal_year 2026 _journal_page_first 168 _journal_page_last 175 #============================================================================= ####################################################################### # # This file contains crystal structure data downloaded from the # Cambridge Structural Database (CSD) hosted by the Cambridge # Crystallographic Data Centre (CCDC). # # Full information about CCDC data access policies and citation # guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 # # Audit and citation data items may have been added by the CCDC. # Please retain this information to preserve the provenance of # this file and to allow appropriate attribution of the data. # ####################################################################### data_uio _audit_block_doi 10.5517/ccdc.csd.cc2n0nmz _database_code_depnum_ccdc_archive 'CCDC 2443501' loop_ _audit_author_name _audit_author_address 'DR DHRUBAJYOTI MAJUMDAR' ;TAMRALIPTA MAHAVIDYALAYA India ; _audit_update_record ; 2025-04-14 deposited with the CCDC. 2026-05-22 downloaded from the CCDC. ; _audit_creation_date 2024-07-06 _audit_creation_method ; Olex2 1.5 (compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817) ; _shelx_SHELXL_version_number 2019/1 _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C8 H7 Br O3' _chemical_formula_sum 'C8 H7 Br O3' _chemical_formula_weight 231.05 _chemical_melting_point ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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. ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' 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' _cell_length_a 13.154(3) _cell_length_b 9.4175(18) _cell_length_c 6.9853(14) _cell_angle_alpha 90 _cell_angle_beta 103.834(5) _cell_angle_gamma 90 _cell_volume 840.2(3) _cell_formula_units_Z 4 _cell_measurement_reflns_used 4884 _cell_measurement_temperature 296.15 _cell_measurement_theta_max 23.58 _cell_measurement_theta_min 3.19 _shelx_estimated_absorpt_T_max ? _shelx_estimated_absorpt_T_min ? _exptl_absorpt_coefficient_mu 4.853 _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.3465 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1250 before and 0.0825 after correction. The Ratio of minimum to maximum transmission is 0.4650. The \l/2 correction factor is Not present. ; _exptl_absorpt_special_details ? _exptl_crystal_colour ? _exptl_crystal_density_diffrn 1.827 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description ? _exptl_crystal_F_000 456 _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.1011 _diffrn_reflns_av_unetI/netI 0.0419 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_number 25414 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_theta_full 25.059 _diffrn_reflns_theta_max 25.059 _diffrn_reflns_theta_min 1.594 _diffrn_ambient_temperature 296.15 _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source ? _diffrn_source_current 30.0 _diffrn_source_power 1.5 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 1099 _reflns_number_total 1474 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_collection ? _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _refine_diff_density_max 0.901 _refine_diff_density_min -0.834 _refine_diff_density_rms 0.154 _refine_ls_extinction_coef 0.015(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2019/1 (Sheldrick 2019)' _refine_ls_goodness_of_fit_ref 1.197 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 112 _refine_ls_number_reflns 1474 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0888 _refine_ls_R_factor_gt 0.0660 _refine_ls_restrained_S_all 1.197 _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^)+(0.0827P)^2^+6.9984P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2133 _refine_ls_wR_factor_ref 0.2259 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2.a Aromatic/amide H refined with riding coordinates: C6(H6), C2(H2A), C8(H8) 2.b Idealised Me refined as rotating group: C7(H7A,H7B,H7C) 2.c Idealised tetrahedral OH refined as rotating group: O2(H2) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? 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 0.81756(10) 0.35719(11) 0.52107(19) 0.0676(6) Uani 1 1 d . . . . . O2 O 0.7007(6) 0.9742(8) 0.4348(13) 0.063(2) Uani 1 1 d . . . . . H2 H 0.752143 1.024031 0.478647 0.094 Uiso 1 1 calc R U . . . O3 O 0.5540(5) 0.7813(8) 0.3149(12) 0.067(2) Uani 1 1 d . . . . . O1 O 0.8975(7) 1.0316(8) 0.5900(13) 0.069(2) Uani 1 1 d . . . . . C4 C 0.7281(8) 0.8380(10) 0.4556(14) 0.046(2) Uani 1 1 d . . . . . C1 C 0.7836(8) 0.5528(10) 0.4951(14) 0.048(2) Uani 1 1 d . . . . . C3 C 0.8324(7) 0.7970(10) 0.5338(13) 0.044(2) Uani 1 1 d . . . . . C6 C 0.6799(8) 0.5897(11) 0.4111(15) 0.051(2) Uani 1 1 d . . . . . H6 H 0.629740 0.519687 0.368046 0.061 Uiso 1 1 calc R U . . . C2 C 0.8587(9) 0.6518(10) 0.5560(14) 0.048(2) Uani 1 1 d . . . . . H2A H 0.927263 0.624303 0.612264 0.058 Uiso 1 1 calc R U . . . C5 C 0.6521(8) 0.7333(11) 0.3924(15) 0.050(2) Uani 1 1 d . . . . . C8 C 0.9129(9) 0.9038(12) 0.6006(17) 0.058(3) Uani 1 1 d . . . . . H8 H 0.980721 0.872527 0.655000 0.069 Uiso 1 1 calc R U . . . C7 C 0.4717(9) 0.6776(15) 0.250(2) 0.086(4) Uani 1 1 d . . . . . H7A H 0.471427 0.646794 0.119177 0.129 Uiso 1 1 calc R U . . . H7B H 0.405334 0.719669 0.251003 0.129 Uiso 1 1 calc R U . . . H7C H 0.483817 0.597536 0.337930 0.129 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 0.0771(9) 0.0324(7) 0.0862(10) 0.0024(5) 0.0058(6) 0.0017(5) O2 0.058(5) 0.037(4) 0.090(6) 0.006(4) 0.012(4) 0.006(3) O3 0.041(4) 0.052(5) 0.100(6) 0.004(4) -0.001(4) -0.003(3) O1 0.075(5) 0.041(5) 0.092(6) -0.004(4) 0.021(4) -0.014(4) C4 0.052(6) 0.037(5) 0.049(5) 0.004(4) 0.012(4) 0.002(4) C1 0.061(6) 0.035(5) 0.047(5) -0.003(4) 0.010(5) 0.001(5) C3 0.052(6) 0.037(5) 0.045(5) 0.001(4) 0.014(4) -0.004(4) C6 0.051(6) 0.048(6) 0.051(5) -0.003(5) 0.006(5) -0.012(5) C2 0.055(6) 0.039(5) 0.046(5) 0.004(4) 0.004(4) 0.000(5) C5 0.047(5) 0.050(6) 0.050(5) 0.007(5) 0.008(4) 0.006(5) C8 0.054(6) 0.050(6) 0.068(7) -0.005(5) 0.009(5) -0.007(5) C7 0.047(7) 0.073(9) 0.128(12) 0.031(8) 0.002(7) -0.009(6) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 1.894(10) . ? O2 H2 0.8200 . ? O2 C4 1.331(11) . ? O3 C5 1.352(12) . ? O3 C7 1.447(14) . ? O1 C8 1.220(14) . ? C4 C3 1.404(13) . ? C4 C5 1.399(14) . ? C1 C6 1.394(15) . ? C1 C2 1.351(14) . ? C3 C2 1.410(13) . ? C3 C8 1.454(14) . ? C6 H6 0.9300 . ? C6 C5 1.399(15) . ? C2 H2A 0.9300 . ? C8 H8 0.9300 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? 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 C4 O2 H2 109.5 . . ? C5 O3 C7 118.1(9) . . ? O2 C4 C3 121.4(9) . . ? O2 C4 C5 119.4(9) . . ? C5 C4 C3 119.2(9) . . ? C6 C1 Br1 117.9(8) . . ? C2 C1 Br1 120.2(8) . . ? C2 C1 C6 122.0(9) . . ? C4 C3 C2 120.0(9) . . ? C4 C3 C8 120.2(9) . . ? C2 C3 C8 119.7(10) . . ? C1 C6 H6 120.4 . . ? C1 C6 C5 119.2(9) . . ? C5 C6 H6 120.4 . . ? C1 C2 C3 119.5(10) . . ? C1 C2 H2A 120.2 . . ? C3 C2 H2A 120.2 . . ? O3 C5 C4 115.7(9) . . ? O3 C5 C6 124.3(9) . . ? C4 C5 C6 120.1(9) . . ? O1 C8 C3 124.5(11) . . ? O1 C8 H8 117.8 . . ? C3 C8 H8 117.8 . . ? O3 C7 H7A 109.5 . . ? O3 C7 H7B 109.5 . . ? O3 C7 H7C 109.5 . . ? H7A C7 H7B 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? 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 C6 C5 179.1(7) . . . . ? Br1 C1 C2 C3 179.3(7) . . . . ? O2 C4 C3 C2 179.3(9) . . . . ? O2 C4 C3 C8 2.1(14) . . . . ? O2 C4 C5 O3 -0.6(14) . . . . ? O2 C4 C5 C6 179.2(9) . . . . ? C4 C3 C2 C1 2.4(14) . . . . ? C4 C3 C8 O1 -1.8(16) . . . . ? C1 C6 C5 O3 -179.5(9) . . . . ? C1 C6 C5 C4 0.7(15) . . . . ? C3 C4 C5 O3 -178.6(9) . . . . ? C3 C4 C5 C6 1.3(14) . . . . ? C6 C1 C2 C3 -0.4(15) . . . . ? C2 C1 C6 C5 -1.2(15) . . . . ? C2 C3 C8 O1 -179.0(11) . . . . ? C5 C4 C3 C2 -2.8(14) . . . . ? C5 C4 C3 C8 -180.0(9) . . . . ? C8 C3 C2 C1 179.5(9) . . . . ? C7 O3 C5 C4 -178.9(10) . . . . ? C7 O3 C5 C6 1.2(16) . . . . ? _shelx_res_file ; TITL uio_a.res in P2(1)/c uio.res created by SHELXL-2019/1 at 00:56:52 on 06-Jul-2024 REM Old TITL uio in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.231, Rweak 0.022, Alpha 0.057 REM 0.691 for 104 systematic absences, Orientation as input REM Formula found by SHELXT: C8 N O2 Br CELL 0.71073 13.1536 9.4175 6.9853 90 103.834 90 ZERR 4 0.0027 0.0018 0.0014 0 0.005 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Br O UNIT 32 28 4 12 L.S. 4 0 0 PLAN 5 TEMP 23 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.082700 6.998400 EXTI 0.014846 FVAR 0.41248 BR1 3 0.817558 0.357187 0.521075 11.00000 0.07713 0.03238 = 0.08619 0.00240 0.00575 0.00173 O2 4 0.700736 0.974179 0.434801 11.00000 0.05826 0.03707 = 0.08994 0.00586 0.01223 0.00556 AFIX 147 H2 2 0.752143 1.024031 0.478647 11.00000 -1.50000 AFIX 0 O3 4 0.554017 0.781258 0.314924 11.00000 0.04091 0.05192 = 0.10023 0.00393 -0.00057 -0.00277 O1 4 0.897532 1.031582 0.590046 11.00000 0.07501 0.04092 = 0.09159 -0.00368 0.02118 -0.01373 C4 1 0.728148 0.837962 0.455636 11.00000 0.05170 0.03723 = 0.04861 0.00415 0.01234 0.00193 C1 1 0.783567 0.552824 0.495066 11.00000 0.06075 0.03505 = 0.04661 -0.00267 0.00958 0.00085 C3 1 0.832428 0.796962 0.533808 11.00000 0.05203 0.03721 = 0.04491 0.00113 0.01367 -0.00439 C6 1 0.679858 0.589694 0.411105 11.00000 0.05051 0.04825 = 0.05079 -0.00253 0.00585 -0.01215 AFIX 43 H6 2 0.629740 0.519687 0.368046 11.00000 -1.20000 AFIX 0 C2 1 0.858709 0.651768 0.556041 11.00000 0.05500 0.03942 = 0.04626 0.00395 0.00398 0.00021 AFIX 43 H2A 2 0.927263 0.624303 0.612264 11.00000 -1.20000 AFIX 0 C5 1 0.652105 0.733296 0.392416 11.00000 0.04720 0.04971 = 0.05029 0.00676 0.00809 0.00609 C8 1 0.912896 0.903778 0.600561 11.00000 0.05366 0.04951 = 0.06783 -0.00504 0.00929 -0.00695 AFIX 43 H8 2 0.980721 0.872527 0.655000 11.00000 -1.20000 AFIX 0 C7 1 0.471720 0.677586 0.250320 11.00000 0.04702 0.07293 = 0.12758 0.03145 0.00197 -0.00887 AFIX 137 H7A 2 0.471427 0.646794 0.119177 11.00000 -1.50000 H7B 2 0.405334 0.719669 0.251003 11.00000 -1.50000 H7C 2 0.483817 0.597536 0.337930 11.00000 -1.50000 AFIX 0 HKLF 4 REM uio_a.res in P2(1)/c REM wR2 = 0.2259, GooF = S = 1.197, Restrained GooF = 1.197 for all data REM R1 = 0.0660 for 1099 Fo > 4sig(Fo) and 0.0888 for all 1474 data REM 112 parameters refined using 0 restraints END WGHT 0.0831 6.9695 REM Highest difference peak 0.901, deepest hole -0.834, 1-sigma level 0.154 Q1 1 0.8153 0.3574 0.3515 11.00000 0.05 0.90 Q2 1 0.4657 0.6467 0.0430 11.00000 0.05 0.80 Q3 1 0.8049 1.1443 0.5901 11.00000 0.05 0.62 Q4 1 0.5016 0.4396 0.3731 11.00000 0.05 0.49 Q5 1 0.7213 0.3876 0.4363 11.00000 0.05 0.43 ; _shelx_res_checksum 9639 _shelx_hkl_file ; 0 0 1 6.00 1.30 0 0 1 2.10 0.90 0 0 -1 6.60 1.30 0 0 2 3702.83 378.56 0 0 -2 3809.02 378.56 0 0 -2 3519.55 378.66 0 0 -2 3836.42 378.46 0 0 2 3636.24 378.36 0 0 2 3676.53 378.26 0 0 2 3921.01 378.26 0 0 2 3427.26 378.46 0 0 -2 3765.02 378.56 0 0 2 3992.30 378.76 0 0 3 -0.80 2.00 0 0 -3 -1.20 3.00 0 0 -3 -1.50 1.40 0 0 -3 1.10 2.40 0 0 3 2.60 3.60 0 0 3 -1.70 1.90 0 0 3 1.90 2.10 0 0 3 0.10 3.20 0 0 3 4.00 2.60 0 0 3 -2.20 2.60 0 0 3 -0.50 1.80 0 0 -3 -2.00 2.10 0 0 -3 -2.40 2.10 0 0 4 296.37 27.90 0 0 -4 251.37 26.60 0 0 -4 232.38 25.60 0 0 -4 243.18 26.80 0 0 4 226.68 26.60 0 0 4 228.98 25.50 0 0 4 242.38 26.30 0 0 4 228.68 26.20 0 0 4 241.28 26.30 0 0 -4 250.67 27.00 0 0 4 252.87 26.50 0 0 -4 271.57 27.30 0 0 4 267.87 26.50 0 0 4 247.78 26.80 0 0 5 3.70 3.80 0 0 5 3.30 6.00 0 0 -5 -7.30 5.20 0 0 5 11.60 5.90 0 0 5 -2.90 3.00 0 0 -5 1.70 6.00 0 0 5 -3.90 4.30 0 0 5 1.60 4.80 0 0 -5 1.40 5.10 0 0 5 -6.90 5.80 0 0 -5 -1.80 5.30 0 0 -5 -0.10 4.20 0 0 -6 13.70 6.80 0 0 6 7.50 6.80 0 0 -6 1.20 5.80 0 0 6 11.20 6.50 0 0 -6 13.00 6.20 0 0 6 12.70 6.90 0 0 6 -3.40 6.00 0 0 -6 48.10 10.30 0 0 6 16.70 6.50 0 0 -6 12.90 7.80 0 0 7 -6.50 4.30 0 0 -7 4.50 8.50 0 0 -7 9.30 9.90 0 0 7 1.90 9.40 0 0 7 -19.20 7.40 0 0 7 -2.40 9.60 0 0 -7 0.60 9.40 0 0 -7 -6.40 8.60 0 0 7 2.60 6.00 0 0 -8 4.10 9.00 0 0 -8 -2.30 7.70 0 0 -8 5.90 10.90 0 1 0 0.60 0.60 0 1 0 0.70 0.40 0 -1 0 2.00 0.70 0 1 1 225.18 26.90 0 1 -1 246.38 26.20 0 1 -1 239.58 26.20 0 1 1 259.37 26.10 0 1 1 249.38 26.30 0 1 1 263.37 26.30 0 -1 1 242.98 26.80 0 -1 1 288.17 26.30 0 -1 -1 251.07 26.30 0 -1 1 283.67 26.40 0 -1 -1 231.78 26.50 0 -1 -1 250.77 26.60 0 -1 1 279.97 26.30 0 -1 1 245.98 26.40 0 1 -2 280.77 32.00 0 1 -2 313.77 31.90 0 1 2 273.17 31.70 0 1 2 318.57 31.70 0 1 -2 290.07 31.70 0 1 -2 319.97 31.90 0 1 2 296.87 31.90 0 1 2 302.87 31.90 0 1 -2 292.07 31.90 0 1 2 333.67 32.30 0 1 2 291.27 31.50 0 1 2 295.67 31.80 0 -1 -2 314.57 32.00 0 -1 -2 280.87 31.90 0 -1 -2 314.77 32.20 0 -1 2 314.17 32.00 0 -1 -2 320.57 32.00 0 -1 2 334.37 31.80 0 -1 2 336.87 32.00 0 -1 2 324.97 31.90 0 -1 2 302.97 31.70 0 -1 2 294.17 31.70 0 -1 2 291.67 31.70 0 -1 2 318.77 31.90 0 -1 2 319.77 31.90 0 1 -3 308.87 35.40 0 1 3 337.17 36.00 0 1 3 332.57 35.20 0 1 -3 355.56 35.90 0 1 3 337.07 35.90 0 1 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23.50 9.90 -2 -8 4 28.10 10.00 2 -8 -4 18.50 8.90 2 -8 -4 42.00 10.20 -2 8 3 10.80 10.90 2 8 -3 8.40 7.90 2 8 -3 30.50 9.90 2 8 -3 38.20 10.60 -2 8 3 40.00 9.70 2 8 -3 7.60 7.30 -2 8 3 17.40 8.60 -2 -8 3 23.90 7.40 -2 -8 3 30.30 9.40 2 -8 -3 27.80 9.60 -2 -8 3 35.30 9.00 -2 -8 3 17.90 7.90 2 -8 -3 10.30 6.80 -2 -8 3 30.80 9.80 2 8 -2 76.99 12.60 2 8 -2 59.59 12.10 -2 8 2 45.90 12.40 2 8 -2 69.29 10.40 -2 8 2 48.70 10.80 -2 8 2 66.19 11.70 2 8 -2 68.59 10.50 2 -8 -2 74.39 11.70 -2 -8 2 52.19 11.40 -2 -8 2 40.40 11.10 2 -8 -2 52.69 10.60 -2 -8 2 65.99 12.80 -2 -8 2 44.90 11.00 -2 -8 2 64.39 12.00 -2 -8 2 58.69 10.00 2 -8 -2 60.69 10.70 2 8 -1 62.79 9.80 -2 8 1 47.40 8.80 -2 8 1 50.49 9.30 -2 8 1 43.00 8.70 -2 8 1 55.79 9.80 2 8 -1 78.19 11.80 2 8 -1 73.89 10.90 2 8 -1 68.59 11.60 -2 8 1 39.00 10.90 -2 -8 1 66.69 11.80 -2 -8 1 46.00 10.40 2 -8 -1 64.89 9.80 -2 -8 1 78.19 11.90 2 -8 -1 55.99 10.40 -2 -8 1 68.19 11.30 2 -8 -1 43.40 8.60 -2 -8 1 36.70 9.50 2 -8 -1 42.70 10.30 2 -8 -1 48.00 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9.30 9.70 -5 4 -5 7.60 9.60 -5 4 -5 17.20 10.00 -5 4 -5 0.50 8.10 5 4 5 4.80 7.40 5 4 5 13.50 8.20 -5 -4 -5 6.20 7.10 -5 -4 -5 10.80 7.30 5 -4 5 3.10 7.70 5 -4 5 -5.40 6.30 -5 -4 -5 4.60 9.00 5 -4 5 16.50 7.30 5 -4 5 11.80 8.50 -5 -4 -5 5.30 6.90 5 -4 5 -1.40 7.70 -5 -4 -5 4.20 7.70 5 4 6 -0.20 8.40 -5 4 -6 -0.60 8.20 5 4 6 4.50 8.50 5 4 6 -7.40 5.70 -5 4 -6 8.20 8.50 -5 4 -6 1.10 6.90 -5 4 -6 4.90 8.20 5 -4 6 -11.90 4.70 5 -4 6 -11.80 8.10 -5 -4 -6 -3.40 7.00 5 -4 6 8.00 7.40 -5 -4 -6 -7.60 7.40 -5 -4 -6 1.40 7.60 -5 -4 -6 2.70 12.10 5 -4 6 -4.10 8.30 -5 5 7 1.50 9.70 5 5 -7 -3.20 7.90 5 5 -7 0.30 8.90 5 5 -7 12.10 9.00 -5 5 7 5.40 10.40 -5 5 7 14.00 9.80 -5 5 7 12.00 10.80 5 5 -7 8.90 9.30 -5 5 7 -5.40 11.40 5 -5 -7 -4.40 9.90 5 -5 -7 9.20 11.30 -5 -5 7 6.70 7.80 -5 -5 7 -2.60 7.40 -5 -5 7 7.90 7.90 5 -5 -7 6.60 10.20 5 -5 -7 15.40 11.90 -5 -5 7 4.90 7.40 -5 5 6 7.00 8.30 5 5 -6 12.50 8.10 5 5 -6 -0.30 7.40 5 5 -6 1.80 5.90 -5 5 6 -8.30 10.20 5 5 -6 2.30 7.30 5 5 -6 5.90 7.90 -5 5 6 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5 47.50 13.40 5 7 -5 38.60 10.70 5 7 -5 51.09 11.70 -5 7 5 53.59 11.40 -5 7 5 60.19 12.00 -5 7 5 54.49 12.20 5 7 -5 58.19 11.70 5 -7 -5 44.10 12.00 -5 -7 5 67.29 13.00 -5 -7 5 43.10 10.30 5 -7 -5 28.80 10.30 -5 -7 5 32.70 10.60 -5 -7 5 54.19 10.80 -5 -7 5 61.79 11.30 5 -7 -5 61.19 13.80 5 -7 -5 39.40 9.90 5 7 -4 5.70 6.50 -5 7 4 14.00 8.50 -5 7 4 8.70 7.20 5 7 -4 2.20 7.50 -5 7 4 1.20 6.90 5 7 -4 12.10 8.30 5 7 -4 4.20 6.30 -5 7 4 -1.60 7.10 -5 7 4 10.20 7.60 -5 -7 4 -3.40 6.80 -5 -7 4 4.80 7.70 5 -7 -4 2.00 7.10 -5 -7 4 6.50 6.60 5 -7 -4 -1.70 5.60 -5 -7 4 -10.80 6.90 5 -7 -4 1.50 8.00 -5 -7 4 5.30 9.00 -5 -7 4 4.50 7.80 -5 7 3 194.58 23.70 -5 7 3 205.58 24.40 5 7 -3 190.08 23.90 -5 7 3 187.18 23.50 -5 7 3 202.58 24.20 5 7 -3 217.68 24.10 5 7 -3 209.18 22.90 5 7 -3 203.28 24.00 -5 7 3 174.68 25.10 5 -7 -3 187.78 23.40 5 -7 -3 205.98 24.70 -5 -7 3 214.98 25.30 -5 -7 3 199.28 23.90 -5 -7 3 180.08 24.40 5 -7 -3 203.18 23.50 -5 -7 3 200.88 23.80 -5 -7 3 195.58 23.40 5 -7 -3 231.08 24.60 5 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32.20 7.90 -7 -7 1 33.30 9.50 -7 -7 1 10.40 6.80 7 -7 -1 16.20 8.10 7 7 0 24.30 6.80 7 7 0 -6.30 4.70 7 7 0 10.20 7.60 -7 7 0 0.50 5.60 7 7 0 -9.50 6.90 -7 7 0 -4.10 6.60 -7 7 0 -3.40 5.60 -7 7 0 -6.60 5.20 -7 -7 0 -4.60 7.70 -7 -7 0 1.10 8.10 7 -7 0 9.60 6.30 7 -7 0 6.60 6.20 -7 -7 0 7.40 6.90 7 -7 0 3.50 5.60 -7 -7 0 -2.70 5.50 7 -7 0 -1.00 5.60 -7 7 -1 5.40 5.90 7 7 1 5.70 6.90 7 7 1 26.70 9.30 -7 7 -1 12.00 5.20 -7 7 -1 21.60 6.40 -7 7 -1 6.70 6.00 -7 7 -1 11.40 7.30 7 7 1 13.60 7.70 7 7 1 9.40 7.70 7 7 1 16.20 8.70 -7 -7 -1 11.00 7.40 7 -7 1 21.00 7.80 -7 -7 -1 2.10 8.70 -7 -7 -1 18.40 9.10 7 -7 1 25.40 10.30 7 -7 1 19.60 7.80 7 -7 1 25.90 8.50 -7 -7 -1 20.30 7.70 7 -7 1 22.10 6.20 7 7 2 -4.90 7.10 7 7 2 3.20 8.00 -7 7 -2 -2.70 6.20 -7 7 -2 2.80 5.40 7 7 2 2.90 7.60 -7 7 -2 0.80 5.60 7 7 2 -13.00 8.40 -7 7 -2 -4.10 5.40 -7 7 -2 -2.20 6.80 -7 -7 -2 24.10 10.70 7 -7 2 7.20 6.00 -7 -7 -2 -11.60 8.20 7 -7 2 10.70 6.50 7 -7 2 1.80 5.40 7 -7 2 1.80 8.80 -7 -7 -2 17.40 10.80 -7 7 -3 0.50 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7.80 8 6 2 62.29 11.70 -8 6 -2 52.19 8.80 -8 6 -2 58.59 10.20 -8 6 -2 38.80 8.90 8 -6 2 36.90 10.40 -8 -6 -2 71.19 13.10 -8 -6 -2 40.70 12.20 8 -6 2 32.20 8.70 8 -6 2 50.99 11.20 8 -6 2 48.60 10.70 -8 6 -3 11.70 7.50 -8 6 -3 -0.80 6.20 8 6 3 11.70 9.60 8 6 3 -0.90 8.30 -8 6 -3 9.20 7.90 -8 6 -3 8.20 7.40 8 6 3 5.60 8.20 -8 -6 -3 -11.70 10.80 8 -6 3 2.50 9.00 8 -6 3 0.70 8.00 -8 -6 -3 12.70 8.40 8 -6 3 7.10 8.90 8 -6 3 14.10 7.50 8 -6 3 1.70 7.00 -8 6 -4 16.10 10.20 -8 6 -4 13.20 10.40 8 6 4 10.50 13.60 8 6 4 -4.50 9.10 8 6 4 -7.60 7.10 -8 6 -4 -0.80 7.60 8 6 4 -3.60 9.40 -8 6 -4 22.10 9.60 8 -6 4 14.70 10.30 -8 -6 -4 27.20 10.40 8 -6 4 5.40 8.50 8 -6 4 13.30 8.30 8 -6 4 -6.00 9.30 8 -6 4 24.10 10.70 -8 -6 -4 4.50 9.10 -8 7 5 50.89 13.50 -8 7 5 51.09 13.50 8 7 -5 50.89 11.50 -8 7 5 58.39 16.40 8 7 -5 63.39 12.30 -8 7 5 53.79 14.00 8 7 -5 87.69 13.10 8 7 -5 71.39 15.60 -8 7 5 38.60 13.20 -8 -7 5 62.19 15.10 -8 -7 5 89.09 15.50 8 -7 -5 60.99 13.50 -8 -7 5 79.19 12.80 8 -7 -5 46.20 13.70 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113.09 16.20 -8 7 1 116.39 17.10 8 -7 -1 146.79 19.20 -8 -7 1 165.38 20.70 8 -7 -1 160.18 18.90 -8 -7 1 145.09 20.80 -8 -7 1 138.09 19.30 -8 -7 1 153.78 19.00 -8 7 0 29.10 8.60 8 7 0 51.89 9.60 8 7 0 38.90 10.80 -8 7 0 38.30 10.00 8 7 0 50.09 11.30 8 7 0 42.90 9.70 -8 7 0 41.70 9.00 -8 7 0 54.49 9.40 -8 -7 0 63.59 12.20 -8 -7 0 38.70 11.20 8 -7 0 37.60 10.30 8 -7 0 29.10 9.60 -8 -7 0 53.89 12.20 8 -7 0 52.69 10.50 8 -7 0 43.30 9.50 -8 -7 0 51.89 10.90 8 7 1 85.99 14.60 -8 7 -1 97.19 13.80 8 7 1 52.29 13.20 -8 7 -1 64.49 12.20 8 7 1 71.59 13.00 -8 7 -1 94.59 12.90 -8 7 -1 77.99 12.10 8 7 1 73.99 13.40 -8 -7 -1 62.09 13.70 -8 -7 -1 146.19 17.30 -8 -7 -1 89.29 15.80 8 -7 1 110.69 15.10 8 -7 1 96.99 14.30 8 -7 1 77.39 15.30 -8 -7 -1 107.59 15.60 8 -7 1 98.09 14.30 8 7 2 -5.10 8.60 -8 7 -2 10.50 6.60 -8 7 -2 -6.70 7.30 -8 7 -2 -5.80 6.90 -8 7 -2 3.20 6.40 -8 7 -2 6.50 6.40 8 7 2 7.60 8.90 8 7 2 7.70 8.70 -8 -7 -2 -8.50 10.20 8 -7 2 16.60 7.10 8 -7 2 3.70 6.30 8 -7 2 4.90 9.40 8 -7 2 11.80 8.70 -8 -7 -2 18.70 11.10 8 7 3 21.40 11.50 -8 7 -3 10.10 6.30 8 7 3 19.60 10.20 -8 7 -3 16.40 9.50 -8 7 -3 8.00 7.30 8 7 3 12.20 10.10 -8 7 -3 13.80 7.80 8 -7 3 -1.80 6.60 8 -7 3 17.70 8.50 8 -7 3 24.70 10.30 8 -7 3 1.40 10.80 -8 -7 -3 19.40 13.00 -8 -7 -3 23.00 12.70 -8 8 4 -3.60 8.50 8 8 -4 6.70 9.80 8 8 -4 7.00 9.00 8 8 -4 4.40 10.70 8 8 -4 -1.40 9.20 -8 8 4 9.60 13.10 -8 8 4 4.70 8.80 -8 8 4 28.10 11.90 8 -8 -4 3.10 9.40 8 -8 -4 -6.50 8.60 -8 -8 4 2.00 9.50 -8 -8 4 2.40 8.00 -8 -8 4 14.10 10.80 -8 -8 4 6.20 10.10 -8 8 3 2.70 9.00 -8 8 3 -3.90 7.70 8 8 -3 29.20 10.70 8 8 -3 16.40 9.00 -8 8 3 2.40 9.50 8 8 -3 2.80 6.10 8 8 -3 18.80 10.20 -8 8 3 -1.70 8.60 -8 -8 3 0.00 8.90 8 -8 -3 -0.50 8.10 -8 -8 3 11.00 10.10 -8 -8 3 -3.10 6.80 -8 -8 3 2.10 9.30 8 -8 -3 8.30 9.30 8 -8 -3 6.80 8.10 8 8 -2 36.50 11.30 -8 8 2 48.20 11.30 8 8 -2 30.10 11.60 8 8 -2 49.50 10.80 -8 8 2 37.60 10.90 8 8 -2 56.09 12.60 -8 -8 2 27.00 11.20 8 -8 -2 10.60 9.70 -8 -8 2 15.80 10.70 -8 -8 2 20.80 10.20 8 -8 -2 41.70 9.70 8 8 -1 35.10 10.40 -8 8 1 1.60 8.70 8 8 -1 20.80 7.20 -8 8 1 1.00 7.30 8 8 -1 7.60 9.10 8 8 -1 15.10 8.00 -8 -8 1 14.40 7.10 8 -8 -1 0.20 8.70 -8 -8 1 19.80 8.00 -8 -8 1 17.10 10.30 8 -8 -1 12.00 9.40 8 8 0 36.90 11.10 8 8 0 28.20 10.70 -8 8 0 33.20 8.40 8 8 0 33.70 10.90 8 8 0 30.80 10.80 -8 8 0 42.00 8.80 8 -8 0 20.40 11.10 -8 -8 0 59.99 12.60 8 -8 0 50.79 11.80 -8 -8 0 28.10 10.10 -8 -8 0 40.00 10.40 -8 -8 0 16.10 10.80 -8 8 -1 20.90 7.40 8 8 1 12.00 9.60 8 8 1 10.60 10.00 8 8 1 9.70 9.40 -8 8 -1 20.50 8.80 -8 -8 -1 1.80 10.80 8 -8 1 30.30 10.40 8 -8 1 22.20 8.60 8 -8 1 18.10 11.00 8 -8 1 16.50 8.70 -8 -8 -1 17.30 8.30 -8 -8 -1 26.40 11.50 8 8 2 16.80 9.00 -8 8 -2 17.60 6.00 -8 8 -2 16.40 8.70 8 8 2 8.40 9.70 -8 8 -2 8.20 7.40 8 8 2 12.90 9.70 8 -8 2 7.10 9.30 8 -8 2 10.80 9.00 -8 -8 -2 0.80 11.60 8 -8 2 1.70 6.60 -8 -8 -2 3.20 11.70 8 -8 2 15.50 11.10 -8 9 3 -1.20 7.50 8 9 -3 6.70 10.10 -8 9 3 -6.30 11.60 8 9 -3 -2.00 9.70 8 9 -3 -6.80 6.60 8 9 -3 -18.60 9.30 8 -9 -3 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5.40 -10 2 2 11.00 8.80 10 2 -2 0.50 4.50 10 2 -2 8.80 6.00 -10 -2 2 6.30 5.20 10 -2 -2 8.00 6.40 10 -2 -2 4.60 4.60 -10 -2 2 4.50 7.20 10 -2 -2 5.90 5.10 10 -2 -2 4.70 4.60 10 -2 -2 -1.60 5.70 -10 -2 2 2.00 5.30 -10 -2 2 3.70 4.60 -10 -2 2 1.20 7.00 10 2 -1 235.38 26.50 10 2 -1 237.08 25.50 -10 2 1 211.58 25.90 10 2 -1 196.48 25.60 10 2 -1 274.87 26.20 -10 2 1 213.88 26.40 -10 2 1 195.68 25.40 -10 2 1 237.38 26.10 -10 2 1 190.78 25.50 10 2 -1 233.58 24.80 -10 -2 1 174.18 25.90 -10 -2 1 206.78 25.80 -10 -2 1 232.18 26.50 10 -2 -1 236.48 26.30 10 -2 -1 244.38 25.50 10 -2 -1 221.08 25.30 -10 -2 1 240.58 25.90 10 -2 -1 269.17 26.40 10 -2 -1 220.38 25.80 -10 -2 1 268.27 26.10 -10 2 0 83.49 13.40 -10 2 0 121.39 13.00 10 2 0 105.09 14.40 10 2 0 102.99 13.10 -10 2 0 98.99 12.60 10 2 0 102.69 13.00 -10 2 0 71.39 13.10 10 2 0 75.79 13.80 -10 2 0 87.79 12.80 10 2 0 75.39 13.70 -10 -2 0 114.89 14.40 -10 -2 0 104.79 14.00 10 -2 0 107.09 13.70 -10 -2 0 104.79 13.40 10 -2 0 83.09 13.50 10 -2 0 109.49 13.30 -10 -2 0 82.19 13.90 -10 -2 0 82.49 13.50 10 -2 0 106.69 13.20 -10 2 -1 278.37 31.20 10 2 1 272.07 32.00 -10 2 -1 276.87 31.00 -10 2 -1 259.07 31.00 10 2 1 238.28 31.60 -10 2 -1 242.98 31.20 10 2 1 290.67 31.70 10 2 1 309.47 32.60 10 -2 1 295.17 32.70 10 -2 1 290.87 31.00 -10 -2 -1 322.07 32.60 -10 -2 -1 321.67 31.80 10 -2 1 292.57 32.50 -10 -2 -1 329.17 31.80 10 -2 1 325.37 32.70 -10 -2 -1 294.67 32.10 -10 2 -2 7.20 8.10 10 2 2 -7.40 6.40 -10 2 -2 10.80 6.20 -10 2 -2 -2.40 6.80 -10 2 -2 6.50 6.50 10 2 2 -3.40 7.20 10 2 2 -4.10 5.60 10 2 2 -6.80 7.10 10 -2 2 15.20 8.40 10 -2 2 -1.30 5.10 10 -2 2 5.10 7.50 -10 -2 -2 10.30 7.70 10 -2 2 -3.00 5.10 -10 -2 -2 7.80 8.80 -10 -2 -2 4.70 5.70 -10 -2 -2 4.50 7.30 -10 2 -3 112.59 14.30 -10 2 -3 87.09 14.10 10 2 3 85.59 15.00 10 2 3 79.29 14.60 -10 2 -3 98.19 14.30 -10 2 -3 94.69 14.80 10 2 3 110.49 16.70 -10 -2 -3 121.49 16.40 -10 -2 -3 120.09 16.40 10 -2 3 76.29 14.00 10 -2 3 95.79 15.00 -10 -2 -3 130.69 16.50 10 -2 3 77.89 15.10 10 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1.90 6.10 10 3 -2 -3.20 4.80 10 3 -2 -1.10 4.40 -10 -3 2 4.90 6.80 10 -3 -2 9.40 4.80 10 -3 -2 7.00 6.40 10 -3 -2 5.10 5.00 10 -3 -2 10.90 6.90 -10 -3 2 -1.40 5.80 10 -3 -2 -15.60 5.40 -10 -3 2 -7.60 4.80 -10 -3 2 6.90 6.90 -10 -3 2 9.60 7.20 -10 -3 2 5.80 5.50 10 3 -1 93.99 14.80 -10 3 1 90.89 12.90 -10 3 1 82.79 13.70 10 3 -1 95.09 14.40 -10 3 1 92.59 14.30 10 3 -1 105.09 14.50 -10 3 1 90.59 14.20 -10 3 1 111.39 15.00 10 3 -1 83.19 14.70 10 3 -1 97.69 12.50 -10 -3 1 88.09 12.60 -10 -3 1 89.59 14.40 10 -3 -1 103.59 13.10 -10 -3 1 119.59 15.30 -10 -3 1 99.59 14.80 10 -3 -1 100.29 14.30 10 -3 -1 95.89 13.30 -10 -3 1 132.79 16.10 10 -3 -1 78.89 13.20 10 -3 -1 113.59 13.20 10 3 0 33.40 8.20 10 3 0 31.50 8.40 10 3 0 68.39 10.70 -10 3 0 31.70 8.60 10 3 0 33.70 9.00 10 3 0 35.50 8.60 -10 3 0 37.00 8.40 -10 3 0 36.80 8.00 -10 3 0 48.20 9.30 -10 -3 0 37.30 9.70 -10 -3 0 57.89 9.60 10 -3 0 51.69 9.00 -10 -3 0 40.40 9.00 10 -3 0 45.00 8.90 -10 -3 0 36.20 7.90 -10 -3 0 52.19 9.00 10 -3 0 62.29 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19.30 7.70 -10 -4 4 5.90 6.10 -10 -4 4 17.80 11.90 10 -4 -4 12.60 7.30 10 -4 -4 10.70 6.90 -10 -4 4 2.20 7.50 10 -4 -4 15.70 7.40 -10 -4 4 24.70 8.70 10 4 -3 11.70 7.70 -10 4 3 -1.60 6.60 -10 4 3 -2.60 6.40 10 4 -3 6.30 7.60 10 4 -3 -2.90 6.90 -10 4 3 1.90 6.80 -10 4 3 12.60 7.80 -10 4 3 19.10 8.10 10 4 -3 -1.90 7.30 10 -4 -3 11.50 6.20 -10 -4 3 -4.20 4.90 10 -4 -3 5.90 7.20 -10 -4 3 11.40 5.60 10 -4 -3 4.10 6.50 -10 -4 3 8.20 8.00 -10 4 2 16.10 9.50 -10 4 2 -0.90 5.40 10 4 -2 15.20 6.00 10 4 -2 16.00 6.60 -10 4 2 7.00 6.70 -10 4 2 16.60 6.80 10 4 -2 11.20 6.60 -10 4 2 9.40 6.70 10 4 -2 5.10 6.00 10 4 -2 23.60 8.00 10 -4 -2 16.50 6.00 10 -4 -2 9.00 5.90 10 -4 -2 1.00 6.10 -10 -4 2 7.40 6.10 -10 -4 2 16.70 6.60 -10 -4 2 5.70 6.50 -10 -4 2 14.90 9.20 -10 4 1 -1.80 6.70 10 4 -1 12.40 6.20 -10 4 1 6.10 9.30 10 4 -1 14.50 7.70 -10 4 1 2.90 5.80 -10 4 1 -8.90 6.00 10 4 -1 8.20 7.20 10 4 -1 1.40 6.90 10 4 -1 -0.50 6.60 -10 4 1 1.70 7.00 10 -4 -1 16.90 7.90 10 -4 -1 2.70 5.10 -10 -4 1 3.10 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5.60 -10 -4 -2 -0.40 9.50 -10 -4 -2 0.20 7.40 10 -4 2 11.80 6.40 10 -4 2 -0.30 8.20 10 4 3 18.30 9.90 -10 4 -3 7.90 6.70 -10 4 -3 16.80 9.90 10 4 3 6.50 9.50 -10 4 -3 15.70 9.30 -10 4 -3 13.80 9.50 10 4 3 10.90 7.80 10 -4 3 10.80 9.80 10 -4 3 10.10 7.10 -10 -4 -3 30.00 10.60 10 -4 3 -5.40 8.70 -10 -4 -3 22.90 10.80 10 -4 3 18.80 10.30 -10 -4 -3 28.00 13.00 -10 -4 -3 18.30 10.40 10 -4 3 20.90 7.80 10 4 4 3.80 9.70 -10 4 -4 -15.80 10.90 -10 4 -4 -4.50 10.30 10 4 4 2.20 10.20 10 4 4 -8.00 9.70 -10 4 -4 8.30 8.20 -10 4 -4 4.60 11.40 10 -4 4 -3.60 9.40 10 -4 4 2.20 9.90 10 -4 4 10.40 8.20 -10 -4 -4 8.70 11.00 -10 -4 -4 -20.60 10.60 10 -4 4 1.50 7.50 -10 -4 -4 15.20 11.80 10 -4 4 8.60 8.00 -10 5 6 3.90 8.40 -10 5 6 12.40 10.80 10 5 -6 3.80 8.20 10 5 -6 -10.30 8.20 -10 5 6 -16.70 10.10 10 5 -6 -6.80 7.70 10 5 -6 1.40 7.90 -10 5 6 -12.70 7.20 -10 -5 6 -7.20 7.00 10 -5 -6 -11.40 8.50 -10 -5 6 -7.90 9.40 -10 -5 6 0.00 7.90 -10 -5 6 -0.20 11.40 -10 -5 6 -7.70 8.60 10 -5 -6 8.20 10.80 10 -5 -6 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10.30 7.30 10 5 -2 18.50 8.70 10 5 -2 19.60 7.30 -10 5 2 29.80 10.10 -10 -5 2 24.00 7.60 -10 -5 2 23.50 6.90 10 -5 -2 16.20 8.40 10 -5 -2 20.50 7.50 -10 -5 2 7.10 8.40 -10 -5 2 5.70 7.10 10 -5 -2 18.10 8.40 10 5 -1 -3.80 6.70 10 5 -1 18.40 7.10 10 5 -1 2.10 7.50 -10 5 1 -6.10 6.90 10 5 -1 11.80 6.80 -10 5 1 13.70 7.70 -10 5 1 1.80 7.50 -10 -5 1 -0.30 7.70 10 -5 -1 4.90 6.00 -10 -5 1 2.50 5.60 10 -5 -1 1.50 6.20 10 -5 -1 6.00 5.90 10 -5 -1 1.20 7.00 -10 -5 1 0.00 7.30 -10 -5 1 -9.10 6.40 10 5 0 64.29 11.70 -10 5 0 62.79 10.80 10 5 0 90.59 13.80 -10 5 0 60.79 10.60 -10 5 0 67.79 11.00 10 5 0 64.59 11.70 10 5 0 63.89 12.80 -10 -5 0 83.09 13.20 10 -5 0 71.09 11.90 10 -5 0 75.49 12.30 10 -5 0 72.09 13.30 -10 -5 0 73.69 13.00 -10 -5 0 84.59 12.80 10 -5 0 64.89 11.90 -10 -5 0 53.79 12.10 -10 5 -1 -2.50 4.40 -10 5 -1 1.60 4.80 -10 5 -1 7.90 5.30 10 5 1 1.90 7.60 10 5 1 -12.50 7.00 -10 5 -1 -0.60 4.60 10 5 1 14.10 8.90 10 5 1 7.40 7.20 10 -5 1 -4.40 7.00 -10 -5 -1 0.90 6.80 -10 -5 -1 10.80 9.50 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40.00 10.60 -11 -4 0 41.00 10.70 -11 -4 0 34.50 10.50 -11 -4 0 58.89 10.90 11 -4 0 40.60 9.10 11 4 1 3.70 8.50 -11 4 -1 1.90 6.50 -11 4 -1 2.50 6.80 11 4 1 7.00 7.40 11 4 1 2.90 6.10 -11 4 -1 -7.50 6.00 11 4 1 2.40 7.00 -11 -4 -1 -0.80 6.50 -11 -4 -1 9.30 7.30 -11 -4 -1 -2.80 7.20 -11 -4 -1 2.40 6.60 11 -4 1 4.40 7.50 11 -4 1 8.70 8.60 11 -4 1 -3.10 7.10 11 4 2 32.00 10.60 -11 4 -2 45.20 9.70 11 4 2 16.70 10.10 -11 4 -2 26.80 8.80 11 4 2 41.20 9.70 -11 4 -2 31.90 9.70 11 -4 2 49.99 11.90 -11 -4 -2 36.70 9.70 -11 -4 -2 29.80 9.50 11 -4 2 34.10 10.90 -11 -4 -2 31.40 10.80 11 -4 2 16.90 8.90 -11 -4 -2 36.60 12.40 11 4 3 -5.60 10.00 11 4 3 18.20 10.40 -11 4 -3 -5.50 8.80 11 4 3 2.10 9.50 -11 4 -3 0.90 6.70 -11 4 -3 -1.10 8.60 11 -4 3 -2.90 9.50 11 -4 3 10.90 7.40 -11 -4 -3 -12.40 9.40 11 -4 3 0.00 7.20 11 -4 3 -3.50 7.20 -11 -4 -3 -2.40 8.90 -11 -4 -3 -5.50 9.80 -11 5 5 5.90 12.40 -11 5 5 11.10 9.80 11 5 -5 0.40 8.60 11 5 -5 22.60 9.70 -11 5 5 18.70 12.40 11 5 -5 0.70 8.50 11 5 -5 -6.90 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12.40 -15 0 3 -16.20 7.90 -15 0 3 8.10 12.80 15 0 -3 -8.70 8.80 15 0 -3 3.60 9.50 15 0 -3 12.80 8.60 -15 0 3 3.60 9.00 -15 0 3 -6.10 10.90 15 0 -2 7.00 8.60 15 0 -2 -0.20 10.10 -15 0 2 2.50 8.40 -15 0 2 -6.00 9.80 15 0 -2 -2.00 9.00 -15 0 2 -6.50 10.20 -15 0 2 -6.30 8.30 15 0 -2 -7.20 8.00 15 0 -2 -12.10 7.90 15 0 -1 -3.20 11.20 -15 0 1 6.30 9.20 15 0 -1 -0.10 8.80 15 0 -1 -7.10 8.20 -15 0 1 -6.00 8.90 -15 0 1 -1.50 8.10 15 0 -1 -6.60 9.60 15 0 0 1.40 10.20 -15 0 0 -5.20 7.70 -15 0 0 7.40 9.00 15 0 0 -2.10 9.80 15 0 0 9.60 7.70 -15 0 0 4.30 8.50 -15 1 4 -17.10 11.90 -15 1 4 5.10 13.30 -15 -1 4 6.70 10.00 -15 -1 4 7.40 13.50 -15 1 3 -1.00 9.10 -15 1 3 9.10 11.80 15 1 -3 0.50 8.60 -15 1 3 0.20 9.30 -15 1 3 -0.30 11.60 15 1 -3 -8.90 9.40 15 1 -3 8.90 8.50 15 1 -3 -7.00 9.00 15 -1 -3 -12.90 8.50 -15 -1 3 2.40 9.00 -15 -1 3 -5.60 10.30 15 -1 -3 -5.10 8.50 -15 -1 3 9.10 9.40 -15 -1 3 5.40 7.80 -15 -1 3 13.10 12.60 15 -1 -3 -17.70 8.80 15 1 -2 7.30 9.50 15 1 -2 17.00 10.00 -15 1 2 17.90 11.00 -15 1 2 -5.50 10.50 -15 1 2 12.30 9.30 -15 1 2 30.50 9.90 15 1 -2 10.70 7.80 15 1 -2 4.90 7.80 -15 -1 2 -2.60 10.30 15 -1 -2 -3.40 8.70 15 -1 -2 11.80 9.00 -15 -1 2 16.70 11.40 -15 -1 2 10.00 9.20 -15 -1 2 15.20 9.70 -15 -1 2 22.10 7.60 15 -1 -2 15.30 8.50 15 -1 -2 7.00 9.00 15 -1 -2 6.50 9.90 15 1 -1 17.00 10.90 15 1 -1 4.10 9.40 -15 1 1 -3.80 6.30 15 1 -1 3.40 9.60 -15 1 1 -3.20 5.70 -15 1 1 -1.60 9.30 15 1 -1 -0.30 7.80 -15 -1 1 1.80 8.60 -15 -1 1 3.20 9.40 -15 -1 1 -0.10 7.90 15 -1 -1 -1.30 10.00 15 -1 -1 -0.30 8.90 15 -1 -1 -2.90 8.10 -15 -1 1 2.00 9.30 -15 -1 1 13.20 9.70 15 -1 -1 5.30 8.70 -15 1 0 3.60 8.50 15 1 0 3.70 10.50 -15 1 0 14.00 9.30 15 1 0 13.20 8.80 15 1 0 1.70 7.50 -15 1 0 -1.40 5.90 15 -1 0 -6.00 10.00 15 -1 0 3.40 10.00 -15 -1 0 6.30 7.10 15 -1 0 12.20 10.00 -15 -1 0 -3.40 8.50 -15 -1 0 0.90 8.30 15 2 -3 18.50 10.20 -15 2 3 -13.50 8.00 15 2 -3 1.60 10.90 15 2 -3 -0.80 9.80 -15 2 3 -0.20 11.90 15 2 -3 17.40 9.90 -15 2 3 -2.10 11.60 -15 2 3 -2.70 8.40 -15 -2 3 13.70 8.10 -15 -2 3 4.30 9.10 15 -2 -3 31.20 10.80 15 -2 -3 20.10 10.50 15 -2 -3 6.50 7.90 -15 -2 3 -8.30 10.70 -15 -2 3 13.10 12.10 -15 -2 3 12.00 8.60 15 2 -2 6.70 10.20 -15 2 2 1.50 10.30 15 2 -2 11.50 10.30 -15 2 2 -6.30 6.80 15 2 -2 -7.00 8.60 15 2 -2 4.00 8.80 -15 2 2 -2.00 5.80 -15 -2 2 5.80 8.80 -15 -2 2 1.90 9.50 15 -2 -2 -11.60 9.10 -15 -2 2 -1.00 8.60 -15 -2 2 10.30 10.90 15 -2 -2 -3.80 9.00 -15 -2 2 8.20 8.20 15 2 -1 -0.20 10.00 15 2 -1 -3.00 9.60 15 2 -1 6.00 10.30 -15 2 1 3.10 7.00 -15 2 1 -1.00 7.60 -15 2 1 3.40 8.80 15 2 -1 -3.40 9.60 -15 -2 1 4.70 9.50 -15 -2 1 5.30 9.30 -15 -2 1 15.00 8.50 -15 -2 1 -9.00 6.00 -15 -2 1 6.00 9.10 15 -2 -1 8.00 9.20 15 -2 -1 6.80 9.00 15 -2 -1 5.60 7.80 15 -2 -1 9.10 15.10 -15 3 2 -8.40 9.70 -15 3 2 -7.70 9.50 15 3 -2 13.40 10.40 15 3 -2 0.00 9.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 39293 _olex2_submission_special_instructions 'No special instructions were received'