#------------------------------------------------------------------------------ #$Date: 2024-09-25 04:06:36 +0200 (Wed, 25 Sep 2024) $ #$Revision: 294884 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/32/2023258.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2023258 loop_ _publ_author_name 'Magwa, Nomampondo Penelope' 'Rashamuse, Thompho Jason' _publ_section_title ; Synthesis, characterization, and crystal structure of hexakis(1-methyl-1H-imidazole-\kN 3)zinc(II) dinitrate ; _journal_coeditor_code YY2011 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989024008806 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac '[Zn (C4 H6 N2)6] (N O3)2' _chemical_formula_moiety 'C24 H36 N12 Zn 2+, 2(N O3 -)' _chemical_formula_sum 'C24 H36 N14 O6 Zn' _chemical_formula_weight 682.04 _chemical_name_systematic ; Hexakis(1-methyl-1H-imidazole-\kN^3^)zinc(II) dinitrate ; _space_group_crystal_system trigonal _space_group_IT_number 147 _space_group_name_Hall '-P 3' _space_group_name_H-M_alt 'P -3' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary 'dual - dual-space method e.g. SHELXD' _atom_sites_solution_secondary 'dual - dual-space method e.g. SHELXD' _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.4.5 _audit_creation_method 'WinGX routine CIF_UPDATE' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 19.1227(10) _cell_length_b 19.1227(10) _cell_length_c 7.4770(5) _cell_measurement_reflns_used 9720 _cell_measurement_temperature 173(2) _cell_measurement_theta_max 26.19 _cell_measurement_theta_min 3.25 _cell_volume 2367.9(2) _computing_cell_refinement ; SAINT-Plus (Bruker, 2016) ; _computing_data_collection ; APEX3 (Bruker, 2016) ; _computing_data_reduction ; SAINT-Plus and XPREP (Bruker 2016) ; _computing_molecular_graphics ; Ortep for Windows (Farrugia, 2012) ; _computing_publication_material ; WinGX publication routines (Farrugia, 2012) and PLATON (Spek, 2020) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 173(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Bruker D8 Venture Photon CCD area detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0395 _diffrn_reflns_av_unetI/netI 0.0092 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 119969 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.405 _diffrn_reflns_theta_min 2.724 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.84 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_correction_T_min 0.6596 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.435 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1068 _exptl_crystal_size_max 0.446 _exptl_crystal_size_mid 0.336 _exptl_crystal_size_min 0.23 _refine_diff_density_max 0.506 _refine_diff_density_min -0.362 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.121 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 208 _refine_ls_number_reflns 3247 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.121 _refine_ls_R_factor_all 0.036 _refine_ls_R_factor_gt 0.0315 _refine_ls_shift/su_max 0 _refine_ls_shift/su_mean 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0449P)^2^+1.2961P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0829 _refine_ls_wR_factor_ref 0.0904 _reflns_number_gt 3073 _reflns_number_total 3247 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file yy2011.cif _cod_data_source_block I _cod_original_cell_volume 2367.9(3) _cod_database_code 2023258 _shelx_hkl_file ; 1 2 0 1.54 0.17 1 2 0 2.11 0.16 1 2 0 2.16 0.17 1 2 0 2.30 0.16 2 -3 0 2.24 0.16 2 -3 0 2.04 0.15 2 -3 0 1.46 0.14 2 -3 0 2.07 0.15 -3 1 0 2.17 0.12 -3 1 0 1.71 0.15 -3 1 0 2.01 0.15 -3 1 0 1.95 0.14 -3 1 0 1.95 0.16 -3 1 0 1.59 0.17 3 -1 0 2.14 0.15 3 -1 0 2.15 0.10 -1 -2 0 1.89 0.16 3 -1 0 2.18 0.17 3 -1 0 2.09 0.10 3 -1 0 2.24 0.15 3 -1 0 2.15 0.16 -2 3 0 1.52 0.17 -2 3 0 2.21 0.16 -2 3 0 1.83 0.15 -2 3 0 2.31 0.16 -2 3 0 2.11 0.15 -1 -2 0 1.91 0.14 -1 -2 0 1.54 0.16 -1 -2 0 2.45 0.16 -3 2 0 2.69 0.17 1 -3 0 2.74 0.17 -3 2 0 2.39 0.15 2 1 0 2.96 0.18 2 1 0 2.27 0.16 2 1 0 2.46 0.16 2 1 0 2.92 0.19 1 -3 0 2.93 0.17 1 -3 0 2.37 0.15 1 -3 0 3.17 0.17 -3 2 0 2.69 0.17 2 1 0 2.69 0.14 -1 3 0 2.40 0.16 -1 3 0 2.90 0.18 -1 3 0 2.88 0.17 -2 -1 0 2.88 0.16 -2 -1 0 2.85 0.17 -2 -1 0 2.86 0.17 -2 -1 0 2.58 0.17 -1 3 0 2.78 0.17 -2 -1 0 2.90 0.18 3 -2 0 3.03 0.17 3 -2 0 2.87 0.17 3 0 0 271.67 6.89 -3 3 0 270.99 6.89 -3 3 0 289.27 10.18 3 0 0 256.52 9.93 0 -3 0 270.10 10.03 0 -3 0 249.21 6.85 3 -3 0 274.75 10.06 -3 0 0 266.35 6.95 0 3 0 276.08 6.97 -3 0 0 278.55 10.32 3 -3 0 258.20 6.94 0 3 0 271.45 10.30 3 -4 0 4.67 0.26 3 -4 0 4.66 0.26 -4 1 0 5.09 0.26 -4 1 0 4.77 0.25 -4 1 0 5.01 0.26 1 3 0 4.79 0.28 1 3 0 4.76 0.27 -4 1 0 4.86 0.25 3 -4 0 4.65 0.25 3 -4 0 4.63 0.27 3 -4 0 5.03 0.31 3 -4 0 4.91 0.25 -4 1 0 4.47 0.25 1 3 0 4.66 0.25 -4 1 0 4.54 0.18 -4 1 0 5.10 0.28 -4 1 0 4.70 0.18 -4 1 0 4.82 0.22 1 3 0 5.13 0.27 4 -1 0 6.13 0.38 4 -1 0 4.46 0.20 -1 -3 0 5.23 0.28 -1 -3 0 5.32 0.26 -3 4 0 4.77 0.27 -1 -3 0 5.27 0.27 -1 -3 0 5.15 0.27 4 -1 0 4.75 0.22 4 -1 0 5.07 0.26 -1 -3 0 4.86 0.27 -3 4 0 4.84 0.26 4 -1 0 4.64 0.18 4 -1 0 5.07 0.27 4 -1 0 4.64 0.25 -3 4 0 4.48 0.25 -1 -3 0 5.00 0.26 4 -1 0 4.85 0.19 4 -1 0 4.99 0.37 4 -1 0 4.68 0.25 -3 4 0 4.76 0.25 -3 4 0 4.52 0.27 -4 2 0 5.33 0.27 2 -4 0 5.62 0.26 -4 2 0 5.37 0.27 2 -4 0 5.30 0.26 -4 2 0 5.38 0.22 -4 2 0 5.67 0.26 2 -4 0 5.64 0.28 2 -4 0 5.37 0.27 2 2 0 5.50 0.27 2 2 0 5.72 0.29 -4 2 0 5.71 0.26 2 -4 0 5.48 0.26 2 -4 0 5.34 0.26 -2 -2 0 5.71 0.28 -2 4 0 5.58 0.27 4 -2 0 5.49 0.27 4 -2 0 5.47 0.29 4 -2 0 5.13 0.26 4 -2 0 5.52 0.26 4 -2 0 5.26 0.25 -2 4 0 5.66 0.30 -2 -2 0 5.52 0.26 -2 -2 0 5.49 0.27 -2 -2 0 5.28 0.27 -2 4 0 5.43 0.27 -2 4 0 5.25 0.26 -2 4 0 5.13 0.39 -2 4 0 5.23 0.27 -2 -2 0 5.39 0.27 -2 -2 0 5.55 0.27 -2 -2 0 5.46 0.21 -2 -2 0 5.29 0.27 1 -4 0 0.76 0.12 -4 3 0 0.97 0.13 -4 3 0 0.91 0.13 3 1 0 1.00 0.12 3 1 0 1.07 0.14 -4 3 0 0.97 0.13 3 1 0 0.84 0.13 1 -4 0 0.93 0.13 3 1 0 0.79 0.13 1 -4 0 1.06 0.15 1 -4 0 0.86 0.13 1 -4 0 0.79 0.12 3 1 0 0.64 0.13 3 1 0 0.96 0.14 1 -4 0 0.88 0.13 -4 3 0 0.94 0.17 -4 3 0 1.34 0.19 -4 3 0 1.05 0.14 3 1 0 0.74 0.21 3 1 0 0.94 0.11 -3 -1 0 0.89 0.14 -1 4 0 1.01 0.13 -1 4 0 0.74 0.13 -3 -1 0 0.87 0.12 -3 -1 0 0.87 0.13 -3 -1 0 1.00 0.11 -3 -1 0 1.29 0.14 -1 4 0 0.76 0.13 -3 -1 0 0.80 0.14 4 -3 0 0.85 0.13 4 -3 0 1.19 0.14 -3 -1 0 1.11 0.14 4 -3 0 1.10 0.14 -1 4 0 1.26 0.20 4 -3 0 1.05 0.22 4 -3 0 0.80 0.12 -3 -1 0 0.96 0.13 -1 4 0 1.15 0.23 4 -3 0 1.11 0.14 -1 4 0 0.80 0.14 4 0 0 51.60 1.40 -4 4 0 51.89 1.43 4 0 0 52.85 1.37 4 0 0 52.01 1.38 4 0 0 52.65 1.38 4 0 0 50.56 1.40 0 -4 0 53.35 1.40 0 -4 0 53.88 1.38 -4 4 0 53.02 1.38 0 -4 0 53.49 1.38 0 -4 0 52.86 1.39 -4 4 0 51.84 1.38 -4 4 0 53.78 1.38 4 0 0 52.07 1.33 4 0 0 52.16 1.39 4 0 0 52.51 1.38 -4 4 0 51.16 1.39 0 -4 0 53.98 1.39 -4 0 0 52.59 1.40 0 4 0 53.88 1.39 0 4 0 53.61 1.40 -4 0 0 51.70 1.37 -4 0 0 52.58 1.37 -4 0 0 52.73 1.33 -4 0 0 52.57 1.38 -4 0 0 53.01 1.38 -4 0 0 50.52 1.38 4 -4 0 52.26 1.38 4 -4 0 51.66 1.37 4 -4 0 50.23 1.39 4 -4 0 52.51 1.37 4 -4 0 51.34 1.38 0 4 0 54.67 1.38 -5 1 0 19.28 0.61 -5 1 0 19.72 0.63 1 4 0 20.24 0.62 -5 1 0 19.30 0.61 -5 1 0 19.46 0.64 -5 1 0 19.08 0.54 -5 1 0 20.06 0.65 1 4 0 20.48 0.65 -5 1 0 19.41 0.54 4 -5 0 19.63 0.62 4 -5 0 18.96 0.62 4 -5 0 19.25 0.62 4 -5 0 18.72 0.62 1 4 0 20.05 0.64 1 4 0 20.17 0.65 1 4 0 19.94 0.64 4 -5 0 19.62 0.64 1 4 0 20.00 0.64 -5 1 0 19.21 0.61 -4 5 0 19.06 0.61 -1 -4 0 20.08 0.64 -1 -4 0 19.48 0.61 -1 -4 0 19.70 0.63 5 -1 0 19.86 0.61 5 -1 0 18.49 0.62 5 -1 0 18.60 0.67 -1 -4 0 20.39 0.62 -4 5 0 18.03 0.63 5 -1 0 18.85 0.62 -4 5 0 19.24 0.63 -4 5 0 19.18 0.61 -4 5 0 19.76 0.61 -1 -4 0 19.92 0.62 -4 5 0 18.85 0.61 5 -1 0 19.67 0.61 5 -1 0 19.08 0.55 5 -1 0 19.00 0.64 5 -1 0 19.53 0.58 -5 2 0 0.42 0.13 2 3 0 0.24 0.15 -5 2 0 0.64 0.15 3 -5 0 0.22 0.14 -5 2 0 0.44 0.24 2 3 0 0.45 0.15 -5 2 0 0.42 0.14 2 3 0 0.31 0.15 3 -5 0 0.20 0.18 2 3 0 0.50 0.20 2 3 0 0.42 0.21 3 -5 0 0.52 0.15 -5 2 0 0.36 0.14 3 -5 0 0.27 0.13 3 -5 0 0.32 0.13 2 3 0 0.40 0.14 -5 2 0 0.60 0.12 3 -5 0 0.27 0.14 -5 2 0 0.49 0.15 -3 5 0 0.24 0.14 -2 -3 0 0.33 0.15 5 -2 0 0.43 0.09 -2 -3 0 0.83 0.21 -2 -3 0 0.29 0.14 5 -2 0 0.32 0.14 -2 -3 0 0.69 0.16 5 -2 0 0.49 0.10 5 -2 0 0.59 0.12 5 -2 0 0.36 0.14 -3 5 0 0.14 0.13 -3 5 0 0.21 0.19 -3 5 0 0.31 0.14 -2 -3 0 0.35 0.15 5 -2 0 0.38 0.15 5 -2 0 0.48 0.14 5 -2 0 0.29 0.13 5 -2 0 0.18 0.14 -3 5 0 0.15 0.14 5 -2 0 0.26 0.16 -3 5 0 0.38 0.15 -2 -3 0 0.51 0.14 2 -5 0 47.70 1.26 -5 3 0 46.06 1.28 3 2 0 48.26 1.27 3 2 0 47.97 1.29 3 2 0 47.34 1.29 2 -5 0 46.03 1.25 2 -5 0 46.82 1.28 3 2 0 48.31 1.26 3 2 0 45.66 1.29 -5 3 0 47.61 1.27 -5 3 0 46.91 1.25 2 -5 0 46.13 1.28 2 -5 0 46.37 1.26 -5 3 0 48.48 1.26 2 -5 0 47.41 1.27 -3 -2 0 47.62 1.27 5 -3 0 45.45 1.27 -3 -2 0 46.46 1.22 -3 -2 0 46.45 1.28 -3 -2 0 46.24 1.28 -3 -2 0 46.69 1.20 -3 -2 0 47.96 1.27 -3 -2 0 47.40 1.26 -3 -2 0 47.23 1.25 -2 5 0 46.32 1.27 -2 5 0 47.29 1.25 -3 -2 0 47.65 1.26 5 -3 0 46.82 1.27 5 -3 0 46.45 1.24 5 -3 0 48.54 1.27 5 -3 0 47.38 1.25 5 -3 0 45.93 1.25 -2 5 0 46.49 1.25 5 -3 0 45.10 1.27 -2 5 0 46.27 1.27 -2 5 0 48.70 1.26 -2 5 0 46.43 1.26 -5 4 0 170.46 4.36 4 1 0 176.99 4.32 -5 4 0 176.07 4.38 -5 4 0 170.94 4.38 -5 4 0 174.75 4.35 4 1 0 176.63 4.37 1 -5 0 178.51 4.37 4 1 0 178.16 4.38 4 1 0 175.51 4.36 -5 4 0 173.45 4.37 1 -5 0 179.99 4.36 4 1 0 182.05 4.38 1 -5 0 180.04 4.37 4 1 0 177.07 4.31 4 1 0 171.21 4.38 -5 4 0 176.82 4.36 4 1 0 178.02 4.36 4 1 0 172.36 4.39 5 -4 0 176.67 4.35 5 -4 0 175.56 4.34 -4 -1 0 181.25 4.36 5 -4 0 171.01 4.41 -1 5 0 170.14 4.35 -1 5 0 174.30 4.35 -1 5 0 180.26 4.35 -4 -1 0 171.83 4.35 5 -4 0 174.21 4.34 -4 -1 0 174.91 4.34 -4 -1 0 170.24 4.37 -4 -1 0 177.25 4.31 -1 5 0 174.99 4.34 -4 -1 0 177.14 4.35 -1 5 0 181.40 4.38 -1 5 0 172.94 4.37 -4 -1 0 181.48 4.38 5 -4 0 172.51 4.37 0 -5 0 26.25 0.79 -5 5 0 25.98 0.77 -5 5 0 25.55 0.77 -5 5 0 25.28 0.79 5 0 0 26.06 0.78 0 -5 0 25.92 0.85 0 -5 0 26.93 0.77 -5 5 0 26.24 0.77 5 0 0 25.23 0.78 5 0 0 24.88 0.79 5 0 0 25.07 0.80 0 -5 0 26.17 0.77 0 -5 0 25.55 0.78 5 0 0 25.90 0.77 5 0 0 24.74 0.77 -5 5 0 24.63 0.78 5 0 0 26.25 0.76 5 0 0 25.63 0.73 5 0 0 25.63 0.77 5 0 0 25.05 0.71 -5 5 0 25.03 0.77 0 5 0 26.20 0.79 0 5 0 27.21 0.79 -5 0 0 25.53 0.78 5 -5 0 24.90 0.93 0 5 0 25.35 0.80 -5 0 0 25.45 0.79 -5 0 0 26.06 0.80 -5 0 0 25.82 0.78 -5 0 0 25.78 0.72 -5 0 0 26.38 0.80 0 5 0 26.50 0.79 5 -5 0 25.50 0.77 5 -5 0 25.99 0.81 5 -5 0 25.20 0.78 5 -5 0 26.82 0.78 0 5 0 25.34 0.80 -5 0 0 26.09 0.78 1 5 0 1.02 0.19 5 -6 0 1.09 0.20 -6 1 0 0.95 0.18 -6 1 0 1.46 0.20 5 -6 0 1.38 0.26 5 -6 0 1.54 0.32 1 5 0 0.79 0.20 -6 1 0 1.11 0.19 5 -6 0 0.95 0.19 5 -6 0 0.86 0.18 1 5 0 1.04 0.21 -6 1 0 1.34 0.20 1 5 0 1.65 0.29 -6 1 0 0.90 0.19 -6 1 0 1.36 0.20 -6 1 0 1.28 0.13 -6 1 0 1.12 0.13 -6 1 0 1.17 0.18 1 5 0 0.86 0.20 5 -6 0 0.99 0.19 1 5 0 0.81 0.19 6 -1 0 1.07 0.14 6 -1 0 1.10 0.20 6 -1 0 1.08 0.17 -5 6 0 0.90 0.19 -1 -5 0 0.88 0.18 6 -1 0 1.13 0.19 6 -1 0 0.91 0.20 -5 6 0 0.93 0.19 6 -1 0 1.09 0.20 -1 -5 0 1.12 0.20 6 -1 0 0.72 0.17 6 -1 0 0.95 0.19 -1 -5 0 1.00 0.20 6 -1 0 0.99 0.20 -1 -5 0 1.03 0.20 -1 -5 0 1.53 0.33 -5 6 0 1.06 0.20 -1 -5 0 1.13 0.20 -5 6 0 0.85 0.18 -5 6 0 0.84 0.21 2 4 0 8.84 0.43 2 4 0 9.00 0.42 2 4 0 9.53 0.45 4 -6 0 9.09 0.40 2 4 0 8.57 0.43 -6 2 0 9.69 0.41 -6 2 0 9.36 0.41 -6 2 0 8.63 0.34 4 -6 0 9.30 0.44 4 -6 0 8.42 0.41 4 -6 0 8.49 0.42 -6 2 0 8.87 0.39 4 -6 0 9.94 0.47 -6 2 0 8.70 0.40 2 4 0 8.93 0.41 -2 -4 0 8.91 0.48 -2 -4 0 9.03 0.41 6 -2 0 8.80 0.30 6 -2 0 9.20 0.41 -4 6 0 8.30 0.41 -4 6 0 8.48 0.42 -2 -4 0 8.85 0.40 6 -2 0 9.08 0.35 6 -2 0 9.31 0.45 6 -2 0 9.07 0.41 6 -2 0 8.54 0.40 -4 6 0 8.82 0.41 6 -2 0 10.05 0.45 6 -2 0 8.73 0.41 6 -2 0 8.78 0.31 -2 -4 0 8.68 0.41 -4 6 0 8.94 0.43 6 -2 0 9.02 0.40 -4 6 0 8.69 0.41 -3 6 0 502.71 12.32 2 -6 0 160.01 3.65 2 -6 0 146.29 3.61 -6 4 0 142.47 3.62 -6 4 0 139.23 3.61 2 -6 0 146.38 3.61 2 -6 0 146.77 3.62 4 2 0 143.04 3.63 -6 4 0 138.68 3.63 4 2 0 138.73 3.64 4 2 0 142.25 3.62 -6 4 0 142.31 3.60 4 2 0 145.43 3.54 4 2 0 142.49 3.61 4 2 0 142.25 3.62 -6 4 0 143.88 3.60 6 -4 0 138.41 3.59 -4 -2 0 140.43 3.54 -4 -2 0 144.25 3.57 6 -4 0 142.96 3.58 -4 -2 0 140.10 3.60 -4 -2 0 143.15 3.51 -2 6 0 144.35 3.57 -4 -2 0 139.76 3.57 -2 6 0 141.24 3.60 6 -4 0 145.97 3.57 -4 -2 0 143.77 3.59 -2 6 0 144.08 3.58 -2 6 0 145.45 3.57 -2 6 0 141.31 3.60 -2 6 0 139.98 3.58 -4 -2 0 143.49 3.59 6 -4 0 139.28 3.57 6 -4 0 147.72 3.59 -4 -2 0 142.87 3.60 -4 -2 0 141.29 3.61 -6 5 0 10.14 0.48 5 1 0 10.43 0.37 5 1 0 10.53 0.45 -6 5 0 10.07 0.48 5 1 0 10.24 0.43 -6 5 0 10.13 0.45 5 1 0 10.99 0.48 5 1 0 11.08 0.46 -6 5 0 11.24 0.46 -6 5 0 10.63 0.45 5 1 0 10.53 0.50 1 -6 0 11.26 0.45 1 -6 0 10.75 0.44 1 -6 0 10.72 0.47 1 -6 0 11.49 0.47 5 1 0 10.44 0.45 -6 5 0 10.47 0.45 5 1 0 10.54 0.46 -1 6 0 10.70 0.46 -5 -1 0 9.75 0.48 -5 -1 0 10.53 0.45 -1 6 0 10.54 0.48 6 -5 0 11.04 0.47 -5 -1 0 10.58 0.46 -5 -1 0 10.69 0.38 -5 -1 0 10.49 0.46 6 -5 0 11.17 0.49 6 -5 0 9.97 0.45 -1 6 0 10.47 0.48 6 -5 0 10.30 0.44 6 -5 0 10.80 0.45 -5 -1 0 10.78 0.44 -5 -1 0 10.40 0.48 -5 -1 0 10.34 0.44 -1 6 0 10.60 0.45 -1 6 0 10.78 0.47 0 -6 0 539.26 20.04 6 0 0 507.93 13.54 -6 6 0 522.09 13.56 -6 6 0 510.47 19.55 6 0 0 532.45 20.26 0 -6 0 542.44 13.59 6 -6 0 525.06 13.47 0 6 0 505.64 19.80 -6 0 0 528.68 13.48 0 6 0 524.57 13.49 -6 0 0 533.82 20.16 6 -6 0 500.10 19.48 1 6 0 2.99 0.32 -7 1 0 3.39 0.43 6 -7 0 2.84 0.27 -7 1 0 2.20 0.24 -7 1 0 3.38 0.29 6 -7 0 2.60 0.25 1 6 0 2.16 0.26 -7 1 0 1.99 0.24 -7 1 0 2.42 0.20 -7 1 0 2.80 0.27 -7 1 0 2.81 0.27 1 6 0 2.43 0.27 1 6 0 1.87 0.24 6 -7 0 2.67 0.26 6 -7 0 3.02 0.29 1 6 0 3.47 0.37 6 -7 0 2.35 0.25 -7 1 0 2.42 0.20 -7 1 0 2.92 0.27 7 -1 0 2.71 0.27 -1 -6 0 2.49 0.26 -6 7 0 3.03 0.30 -6 7 0 2.49 0.26 7 -1 0 3.12 0.28 -1 -6 0 2.70 0.33 -6 7 0 3.34 0.36 -1 -6 0 3.24 0.28 -1 -6 0 2.99 0.28 7 -1 0 1.80 0.23 -6 7 0 2.15 0.24 7 -1 0 2.56 0.27 7 -1 0 2.23 0.24 -1 -6 0 3.75 0.37 -1 -6 0 2.32 0.25 -6 7 0 2.14 0.24 7 -1 0 2.83 0.28 -6 7 0 2.83 0.27 7 -1 0 2.61 0.23 7 -1 0 2.51 0.28 -7 2 0 98.18 2.69 5 -7 0 103.40 2.69 2 5 0 105.42 2.66 5 -7 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1.96 7 1 0 74.83 2.09 -8 7 0 76.22 2.06 1 -8 0 77.38 2.05 7 1 0 78.72 2.08 7 1 0 76.46 1.97 7 1 0 77.96 2.08 -8 7 0 79.38 2.14 -8 7 0 76.69 2.08 7 1 0 72.41 2.13 -8 7 0 76.14 2.05 7 1 0 77.41 2.07 -8 7 0 76.73 2.09 -8 7 0 74.65 2.03 1 -8 0 75.27 2.06 1 -8 0 76.32 2.13 1 -8 0 76.54 2.06 7 1 0 75.39 2.04 -1 8 0 76.18 2.06 8 -7 0 75.78 2.08 8 -7 0 73.14 2.06 8 -7 0 70.31 2.25 -1 8 0 78.49 2.06 -1 8 0 76.79 2.04 -7 -1 0 74.97 2.07 8 -7 0 75.60 2.03 -7 -1 0 75.06 2.03 -7 -1 0 75.21 1.96 -7 -1 0 77.53 2.05 -7 -1 0 75.39 2.05 -7 -1 0 76.30 2.09 8 -7 0 75.93 2.05 -1 8 0 75.42 2.09 8 -7 0 75.36 2.05 -7 -1 0 76.63 2.05 -1 8 0 78.24 2.05 0 -8 0 -0.01 0.22 -8 8 0 0.10 0.21 8 0 0 0.13 0.21 -8 8 0 0.22 0.20 -8 8 0 -0.16 0.22 8 0 0 0.30 0.16 8 0 0 0.17 0.17 0 -8 0 -0.04 0.21 0 -8 0 0.36 0.24 -8 8 0 -0.07 0.23 -8 8 0 0.13 0.22 -8 8 0 0.13 0.22 8 0 0 0.04 0.23 8 0 0 -0.07 0.25 8 0 0 -0.07 0.24 8 0 0 -0.10 0.22 0 -8 0 0.22 0.22 0 -8 0 0.11 0.40 8 0 0 -0.13 0.22 0 -8 0 0.06 0.21 8 0 0 0.05 0.21 8 0 0 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1.00 0.32 -10 2 0 129.49 3.38 2 8 0 131.41 3.41 8 -10 0 133.13 3.40 -10 2 0 127.35 3.41 8 -10 0 122.82 3.40 8 -10 0 128.43 3.35 8 -10 0 131.95 3.37 8 -10 0 126.07 3.37 -10 2 0 129.24 3.37 -10 2 0 130.27 3.36 2 8 0 132.85 3.39 8 -10 0 130.31 3.42 2 8 0 123.68 3.40 -10 2 0 122.76 3.35 2 8 0 130.77 3.45 2 8 0 132.27 3.37 -2 -8 0 126.95 3.37 10 -2 0 126.96 3.25 -8 10 0 130.77 3.33 -2 -8 0 128.62 3.32 10 -2 0 123.17 3.21 10 -2 0 126.34 3.34 -2 -8 0 126.62 3.36 -8 10 0 124.58 3.33 10 -2 0 125.39 3.33 -8 10 0 125.78 3.33 -2 -8 0 125.71 3.46 10 -2 0 126.35 3.37 -2 -8 0 132.38 3.32 10 -2 0 127.07 3.31 -2 -8 0 125.76 3.34 10 -2 0 129.55 3.33 -8 10 0 126.58 3.31 10 -2 0 127.02 3.31 3 7 0 6.56 0.58 7 -10 0 6.92 0.53 -10 3 0 7.52 0.54 -10 3 0 8.36 0.58 -10 3 0 8.39 0.55 3 7 0 7.86 0.60 7 -10 0 7.59 0.56 3 7 0 7.57 0.58 7 -10 0 8.63 0.53 -10 3 0 8.20 0.53 -10 3 0 8.15 0.52 7 -10 0 7.59 0.56 3 7 0 7.98 0.57 3 7 0 7.31 0.56 -10 3 0 8.29 0.56 7 -10 0 7.08 0.52 7 -10 0 7.88 0.55 -7 10 0 10.20 0.75 -7 10 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0.90 -10 0 0 21.81 0.94 -10 0 0 23.32 0.91 0 10 0 21.52 0.93 -10 0 0 22.16 1.24 0 10 0 21.97 0.96 -10 0 0 22.10 0.71 10 -10 0 21.17 0.92 -10 0 0 22.22 0.72 10 -10 0 23.25 0.90 0 10 0 21.39 0.92 -10 0 0 22.68 0.89 -10 0 0 22.15 0.87 10 -10 0 21.35 0.88 -10 0 0 20.87 0.93 0 10 0 24.30 0.95 0 10 0 21.68 0.92 -11 1 0 121.44 3.21 -11 1 0 116.25 3.02 1 10 0 116.09 3.23 10 -11 0 120.93 3.25 10 -11 0 123.38 3.22 -11 1 0 117.45 3.02 -11 1 0 122.20 3.20 -11 1 0 121.02 3.22 1 10 0 119.31 3.23 -11 1 0 119.76 3.18 1 10 0 119.08 3.27 10 -11 0 118.14 3.18 1 10 0 120.45 3.19 10 -11 0 123.80 3.20 -11 1 0 115.92 3.17 10 -11 0 120.60 3.21 1 10 0 122.93 3.22 -11 1 0 118.03 3.24 -10 11 0 120.22 3.14 -1 -10 0 116.33 3.20 -1 -10 0 118.59 3.21 -10 11 0 114.97 3.15 11 -1 0 120.62 3.18 11 -1 0 115.72 3.09 -1 -10 0 121.82 3.18 -1 -10 0 118.09 3.14 11 -1 0 114.19 3.07 -1 -10 0 119.98 3.17 -10 11 0 121.68 3.22 -10 11 0 120.10 3.18 -10 11 0 119.84 3.16 11 -1 0 117.99 3.14 11 -1 0 118.39 3.17 -10 11 0 117.29 3.20 11 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13.24 0.76 -11 3 0 14.32 0.71 -3 -8 0 13.54 0.73 11 -3 0 14.14 0.69 -3 -8 0 13.90 0.70 11 -3 0 16.12 0.93 11 -3 0 14.21 0.60 -8 11 0 12.91 0.75 -8 11 0 14.41 0.71 -3 -8 0 13.93 0.72 11 -3 0 14.11 0.75 -8 11 0 13.05 0.75 11 -3 0 14.82 0.78 -3 -8 0 14.46 0.73 -3 -8 0 14.35 0.73 11 -3 0 14.28 0.70 -8 11 0 14.85 0.73 11 -3 0 13.53 0.80 -8 11 0 13.43 0.72 -3 -8 0 14.69 0.75 11 -3 0 14.50 0.73 11 -3 0 13.53 0.56 -8 11 0 13.77 0.78 -11 4 0 278.35 6.91 7 -11 0 270.59 6.86 4 7 0 289.57 6.90 -11 4 0 271.13 6.86 7 -11 0 274.97 6.97 4 7 0 271.51 6.94 7 -11 0 281.82 6.88 -11 4 0 269.13 6.92 4 7 0 269.32 6.91 7 -11 0 259.45 6.88 -11 4 0 284.85 6.88 4 7 0 271.21 6.95 4 7 0 273.18 6.91 -11 4 0 278.18 6.90 -4 -7 0 285.35 6.94 11 -4 0 268.72 6.81 -7 11 0 276.24 6.85 11 -4 0 270.81 6.81 -4 -7 0 278.83 6.83 11 -4 0 267.35 6.71 11 -4 0 278.60 6.83 -4 -7 0 274.61 6.76 11 -4 0 262.81 6.66 11 -4 0 272.02 6.88 11 -4 0 267.13 6.66 -7 11 0 261.59 6.87 11 -4 0 274.06 6.84 -4 -7 0 275.38 6.85 -4 -7 0 270.91 6.82 -4 -7 0 274.76 6.88 11 -4 0 273.17 6.85 -4 -7 0 272.98 6.85 -7 11 0 277.55 6.82 -7 11 0 276.37 6.82 -7 11 0 269.84 6.88 -7 11 0 261.80 6.82 -11 5 0 0.02 0.30 5 6 0 -0.44 0.31 6 -11 0 -0.29 0.29 6 -11 0 0.79 0.32 -11 5 0 0.47 0.28 6 -11 0 -0.37 0.27 -11 5 0 0.48 0.31 6 -11 0 -0.63 0.49 5 6 0 0.43 0.30 5 6 0 0.81 0.37 5 6 0 0.44 0.33 6 -11 0 0.97 0.42 -11 5 0 0.51 0.29 6 -11 0 0.41 0.32 5 6 0 0.45 0.31 -11 5 0 0.56 0.30 5 6 0 -0.29 0.32 -11 5 0 0.56 0.30 11 -5 0 0.16 0.19 -6 11 0 -0.27 0.30 -6 11 0 0.29 0.31 -5 -6 0 0.82 0.32 -5 -6 0 0.58 0.32 -6 11 0 0.20 0.32 -5 -6 0 0.46 0.29 -5 -6 0 0.49 0.51 -5 -6 0 -0.07 0.26 -5 -6 0 0.27 0.29 11 -5 0 0.55 0.31 11 -5 0 -0.02 0.27 -5 -6 0 0.17 0.21 -6 11 0 0.04 0.32 11 -5 0 0.49 0.43 -6 11 0 0.20 0.33 11 -5 0 0.85 0.42 11 -5 0 -0.08 0.28 11 -5 0 0.39 0.28 11 -5 0 -0.10 0.30 -6 11 0 -0.09 0.30 -5 -6 0 0.98 0.30 -11 6 0 4.04 0.38 6 5 0 4.24 0.66 6 5 0 3.42 0.40 5 -11 0 3.60 0.40 5 -11 0 3.66 0.39 6 5 0 2.56 0.39 -11 6 0 3.58 0.38 6 5 0 2.91 0.41 -11 6 0 4.04 0.43 -11 6 0 3.37 0.39 6 5 0 4.14 0.41 5 -11 0 5.12 0.48 -11 6 0 3.76 0.39 5 -11 0 3.11 0.34 -11 6 0 4.27 0.43 5 -11 0 4.67 0.43 6 5 0 4.23 0.44 -11 6 0 3.18 0.39 -5 11 0 2.85 0.38 -6 -5 0 4.19 0.42 11 -6 0 3.36 0.36 -6 -5 0 3.05 0.33 -5 11 0 3.38 0.41 -5 11 0 3.36 0.40 -5 11 0 2.83 0.38 -5 11 0 2.93 0.38 11 -6 0 3.86 0.38 11 -6 0 4.31 0.33 11 -6 0 4.54 0.42 -6 -5 0 3.60 0.38 -6 -5 0 4.17 0.41 11 -6 0 4.55 0.42 11 -6 0 4.20 0.43 11 -6 0 4.15 0.60 11 -6 0 4.22 0.43 -6 -5 0 3.29 0.36 -6 -5 0 5.47 0.64 -5 11 0 2.44 0.35 4 -11 0 287.49 7.04 7 4 0 291.94 7.04 -11 7 0 281.11 7.01 -11 7 0 284.18 7.04 7 4 0 281.04 7.01 4 -11 0 285.84 7.02 4 -11 0 280.02 7.01 -11 7 0 269.82 6.94 4 -11 0 278.90 7.07 4 -11 0 279.07 7.07 7 4 0 279.80 7.05 7 4 0 273.95 7.08 -11 7 0 275.37 7.03 -11 7 0 279.46 7.01 7 4 0 278.68 7.08 -11 7 0 281.01 7.08 7 4 0 278.16 7.05 4 -11 0 282.64 7.04 -4 11 0 287.24 7.02 11 -7 0 267.14 7.05 -7 -4 0 276.94 7.01 -4 11 0 275.83 7.07 -4 11 0 275.12 7.03 -7 -4 0 282.96 7.01 11 -7 0 277.35 6.99 -4 11 0 287.76 7.04 -4 11 0 287.20 7.02 11 -7 0 276.93 7.00 -4 11 0 273.77 7.07 -7 -4 0 278.25 7.07 -7 -4 0 291.94 7.05 11 -7 0 275.92 7.02 -7 -4 0 278.77 6.95 11 -7 0 285.77 7.01 11 -7 0 283.90 7.05 -7 -4 0 280.48 7.04 -7 -4 0 282.09 7.08 -11 8 0 2.45 0.39 8 3 0 1.98 0.39 3 -11 0 2.32 0.37 3 -11 0 2.01 0.34 -11 8 0 2.12 0.35 3 -11 0 3.04 0.62 3 -11 0 2.17 0.37 8 3 0 2.04 0.37 -11 8 0 2.13 0.35 3 -11 0 2.35 0.34 -11 8 0 2.13 0.35 -11 8 0 2.54 0.36 -11 8 0 2.30 0.35 8 3 0 1.80 0.39 8 3 0 1.70 0.34 8 3 0 2.20 0.38 3 -11 0 1.99 0.33 8 3 0 1.84 0.37 11 -8 0 2.87 0.37 11 -8 0 1.98 0.35 -3 11 0 2.07 0.37 -3 11 0 1.72 0.37 -8 -3 0 3.10 0.39 11 -8 0 2.67 0.42 11 -8 0 1.96 0.35 -3 11 0 1.48 0.35 -8 -3 0 2.40 0.35 -8 -3 0 3.35 0.60 -8 -3 0 2.51 0.37 -3 11 0 2.03 0.40 -3 11 0 1.65 0.35 -8 -3 0 2.43 0.28 -8 -3 0 2.00 0.33 -3 11 0 1.26 0.35 11 -8 0 2.72 0.54 -8 -3 0 3.64 0.51 -8 -3 0 3.72 0.49 11 -8 0 1.45 0.56 -11 9 0 5.58 0.56 9 2 0 5.26 0.59 9 2 0 5.91 0.37 9 2 0 5.85 0.60 -11 9 0 6.22 0.56 -11 9 0 5.94 0.56 2 -11 0 5.98 0.56 9 2 0 5.33 0.60 9 2 0 6.43 0.60 -11 9 0 7.81 0.80 2 -11 0 5.37 0.55 2 -11 0 5.95 0.55 -11 9 0 6.53 0.55 9 2 0 5.83 0.54 2 -11 0 5.62 0.55 -11 9 0 5.79 0.65 2 -11 0 6.08 0.58 9 2 0 4.76 0.47 9 2 0 6.03 0.61 2 -11 0 5.68 0.56 9 2 0 5.86 0.59 -2 11 0 6.10 0.64 -2 11 0 5.32 0.59 11 -9 0 5.60 0.54 11 -9 0 6.43 0.60 -2 11 0 4.36 0.45 -2 11 0 5.50 0.62 11 -9 0 6.74 0.64 11 -9 0 5.23 0.55 -9 -2 0 6.35 0.58 -9 -2 0 5.23 0.55 -9 -2 0 4.83 0.44 -9 -2 0 6.32 0.59 11 -9 0 6.44 0.59 -9 -2 0 6.57 0.56 -9 -2 0 6.10 0.60 -9 -2 0 6.11 0.57 -9 -2 0 6.09 0.41 -2 11 0 6.12 0.66 -2 11 0 5.41 0.47 10 1 0 117.06 3.15 10 1 0 120.58 3.15 10 1 0 117.36 3.16 -11 10 0 117.95 3.14 10 1 0 116.12 3.13 1 -11 0 115.66 3.18 -11 10 0 116.04 3.12 1 -11 0 116.02 3.18 1 -11 0 121.52 3.14 1 -11 0 119.51 3.14 10 1 0 116.32 3.17 10 1 0 113.83 3.01 10 1 0 114.54 3.14 10 1 0 114.46 3.21 -11 10 0 116.59 3.19 -11 10 0 119.90 3.14 1 -11 0 120.11 3.16 1 -11 0 118.26 3.15 -11 10 0 116.07 3.15 11 -10 0 120.24 3.13 11 -10 0 118.81 3.16 -1 11 0 116.15 3.21 -10 -1 0 113.80 3.01 -10 -1 0 116.84 3.00 -10 -1 0 116.90 3.15 -10 -1 0 118.01 3.13 -10 -1 0 116.94 3.00 -10 -1 0 118.32 3.15 -1 11 0 116.98 3.21 -1 11 0 121.58 3.15 -1 11 0 119.93 3.14 -1 11 0 112.12 3.16 11 -10 0 114.96 3.18 -10 -1 0 115.93 3.16 -10 -1 0 116.99 3.18 -1 11 0 119.63 3.18 11 -10 0 118.81 3.20 -10 -1 0 117.25 3.13 11 -10 0 118.01 3.16 11 -10 0 117.23 3.12 -11 11 0 43.14 1.45 11 0 0 43.40 1.50 0 -11 0 43.09 1.41 11 0 0 43.38 1.37 11 0 0 41.10 1.26 11 0 0 42.65 1.41 11 0 0 42.11 1.25 11 0 0 41.95 1.45 11 0 0 41.99 1.38 0 -11 0 43.76 1.39 11 0 0 44.27 1.40 -11 11 0 44.36 1.41 -11 11 0 42.78 1.39 -11 11 0 41.75 1.39 0 -11 0 43.35 1.38 11 0 0 42.72 1.41 0 -11 0 43.59 1.41 -11 11 0 42.34 1.45 -11 11 0 42.79 1.43 -11 0 0 42.50 1.22 0 11 0 45.76 1.44 0 11 0 41.59 1.41 11 -11 0 45.90 1.43 11 -11 0 45.18 1.47 0 11 0 40.46 1.47 0 11 0 43.60 1.48 11 -11 0 43.72 1.40 -11 0 0 43.03 1.22 -11 0 0 44.28 1.42 -11 0 0 43.87 1.39 0 11 0 42.56 1.45 -11 0 0 43.95 1.39 -11 0 0 41.74 1.46 -11 0 0 43.86 1.41 11 -11 0 42.62 1.39 -11 0 0 44.33 1.42 11 -11 0 43.59 1.41 1 11 0 19.68 0.95 -12 1 0 21.37 0.92 -12 1 0 21.89 0.90 1 11 0 21.53 1.03 -12 1 0 19.57 0.96 -12 1 0 19.74 0.68 11 -12 0 19.43 0.95 11 -12 0 21.15 0.91 1 11 0 20.12 0.95 11 -12 0 20.57 0.91 11 -12 0 21.38 0.93 -12 1 0 21.61 0.93 -12 1 0 20.12 0.68 1 11 0 20.64 0.99 -12 1 0 22.38 0.93 -12 1 0 20.47 0.89 -12 1 0 20.69 0.98 1 11 0 21.20 0.98 11 -12 0 22.95 0.94 12 -1 0 21.59 0.96 -11 12 0 20.90 0.92 -11 12 0 21.34 0.93 -1 -11 0 19.56 0.91 -1 -11 0 21.36 0.93 -1 -11 0 21.57 0.93 12 -1 0 19.47 0.74 -11 12 0 22.83 0.94 12 -1 0 20.16 0.91 -11 12 0 21.21 0.99 -1 -11 0 20.81 0.95 12 -1 0 20.00 0.97 -11 12 0 21.67 0.99 -1 -11 0 21.84 0.90 -11 12 0 24.40 1.34 12 -1 0 19.51 0.79 12 -1 0 21.74 0.97 12 -1 0 19.17 0.88 12 -1 0 21.92 0.95 -12 2 0 23.22 0.95 -12 2 0 21.86 0.91 -12 2 0 22.12 0.97 2 10 0 21.77 1.00 10 -12 0 22.06 0.93 10 -12 0 22.12 0.97 10 -12 0 21.88 0.92 -12 2 0 22.31 0.93 10 -12 0 21.56 0.92 -12 2 0 21.47 0.98 2 10 0 20.80 0.96 2 10 0 21.95 0.96 10 -12 0 23.35 0.95 -12 2 0 21.72 0.92 2 10 0 21.67 0.99 12 -2 0 22.46 0.97 -2 -10 0 22.14 0.94 12 -2 0 21.90 0.90 12 -2 0 20.83 0.83 -10 12 0 20.01 0.97 -2 -10 0 23.22 0.97 12 -2 0 21.36 0.76 12 -2 0 21.41 1.02 -10 12 0 22.69 0.95 -10 12 0 22.41 0.94 -10 12 0 22.93 1.00 -2 -10 0 22.58 0.91 12 -2 0 22.96 0.95 -10 12 0 21.11 0.92 12 -2 0 21.66 0.92 -10 12 0 22.79 0.93 -2 -10 0 24.04 0.95 12 -2 0 22.97 0.95 -2 -10 0 21.61 0.91 12 -2 0 21.50 0.99 12 -2 0 22.87 0.83 3 9 0 120.18 3.33 9 -12 0 120.31 3.31 -12 3 0 123.20 3.25 -12 3 0 125.13 3.29 3 9 0 121.90 3.25 9 -12 0 120.87 3.30 3 9 0 118.90 3.29 3 9 0 124.88 3.27 9 -12 0 120.11 3.26 -12 3 0 118.50 3.23 9 -12 0 131.20 3.26 -12 3 0 120.93 3.27 -12 3 0 121.80 3.25 3 9 0 119.34 3.29 -12 3 0 118.23 3.29 9 -12 0 120.26 3.24 3 9 0 123.22 3.35 9 -12 0 125.84 3.28 12 -3 0 125.53 3.32 -9 12 0 120.34 3.25 -9 12 0 119.54 3.29 -3 -9 0 121.47 3.25 -9 12 0 121.92 3.24 -3 -9 0 118.24 3.27 12 -3 0 130.00 3.44 -3 -9 0 117.81 3.22 12 -3 0 119.92 3.30 -3 -9 0 121.90 3.22 -9 12 0 122.03 3.23 12 -3 0 121.49 3.24 -3 -9 0 123.34 3.26 12 -3 0 121.18 3.22 -9 12 0 115.96 3.23 12 -3 0 117.75 3.10 12 -3 0 120.86 3.22 12 -3 0 120.94 3.13 12 -3 0 120.98 3.25 -12 4 0 0.73 0.42 4 8 0 0.00 0.33 8 -12 0 -0.30 0.31 4 8 0 0.43 0.51 -12 4 0 0.52 0.34 8 -12 0 -0.17 0.29 4 8 0 -0.15 0.31 8 -12 0 0.06 0.31 4 8 0 -0.26 0.33 -12 4 0 0.07 0.29 -12 4 0 0.20 0.30 -12 4 0 0.14 0.29 8 -12 0 0.41 0.33 -12 4 0 0.70 0.31 4 8 0 -0.01 0.32 8 -12 0 0.20 0.30 8 -12 0 0.69 0.30 4 8 0 -0.56 0.35 12 -4 0 0.09 0.53 12 -4 0 0.49 0.31 12 -4 0 0.32 0.31 12 -4 0 -0.26 0.29 -8 12 0 -0.03 0.33 -4 -8 0 -0.15 0.29 12 -4 0 0.12 0.28 -4 -8 0 0.08 0.31 -4 -8 0 0.06 0.32 12 -4 0 0.00 0.29 -4 -8 0 0.02 0.30 -4 -8 0 0.86 0.32 -8 12 0 -0.49 0.31 -4 -8 0 0.41 0.24 -4 -8 0 0.28 0.30 12 -4 0 0.12 0.23 -8 12 0 0.32 0.47 -8 12 0 -0.02 0.32 -4 -8 0 -0.47 0.28 12 -4 0 0.71 0.35 -8 12 0 0.35 0.32 -8 12 0 0.32 0.33 7 -12 0 0.55 0.32 7 -12 0 0.96 0.31 5 7 0 0.07 0.33 -12 5 0 0.63 0.29 5 7 0 0.50 0.37 5 7 0 -0.26 0.33 7 -12 0 -0.08 0.29 5 7 0 0.52 0.37 7 -12 0 0.57 0.33 -12 5 0 1.35 0.46 7 -12 0 0.31 0.29 7 -12 0 0.56 0.33 -12 5 0 0.79 0.32 -12 5 0 0.36 0.30 -12 5 0 0.93 0.30 5 7 0 0.47 0.35 5 7 0 0.41 0.31 -12 5 0 0.83 0.35 12 -5 0 0.25 0.56 -7 12 0 0.40 0.34 12 -5 0 0.45 0.33 -7 12 0 0.66 0.45 -7 12 0 0.54 0.46 -7 12 0 0.40 0.32 -5 -7 0 0.56 0.33 12 -5 0 0.53 0.31 -5 -7 0 0.56 0.32 -5 -7 0 0.44 0.31 -5 -7 0 0.78 0.33 -7 12 0 0.16 0.32 -5 -7 0 0.87 0.23 -5 -7 0 0.31 0.31 12 -5 0 1.21 0.31 12 -5 0 0.72 0.36 -5 -7 0 0.93 0.31 -5 -7 0 1.04 0.43 -5 -7 0 0.56 0.30 12 -5 0 0.59 0.23 12 -5 0 0.94 0.25 12 -5 0 0.16 0.30 -7 12 0 0.74 0.34 12 -5 0 0.03 0.20 12 -5 0 0.92 0.33 6 6 0 157.02 4.18 6 6 0 162.19 4.12 -12 6 0 158.09 4.08 -12 6 0 158.43 4.12 6 -12 0 159.74 4.09 6 -12 0 160.58 4.10 -12 6 0 154.13 3.99 6 6 0 154.50 4.13 -12 6 0 154.18 4.14 -12 6 0 157.50 4.16 6 6 0 156.54 4.14 6 -12 0 157.51 4.15 -12 6 0 163.72 4.10 6 -12 0 160.82 4.12 -12 6 0 157.20 4.23 6 6 0 154.54 4.09 6 -12 0 155.22 4.15 6 -12 0 160.43 4.12 -6 -6 0 160.07 4.11 12 -6 0 154.72 4.14 -6 12 0 150.62 4.12 12 -6 0 157.36 4.08 12 -6 0 160.16 4.07 -6 -6 0 165.63 4.12 12 -6 0 158.58 4.10 12 -6 0 145.77 3.92 -6 12 0 159.75 4.08 -6 12 0 154.19 4.09 -6 -6 0 159.71 4.03 12 -6 0 166.10 4.27 -6 -6 0 155.63 4.06 12 -6 0 153.63 3.91 -6 -6 0 153.33 4.12 12 -6 0 155.55 4.06 -6 -6 0 156.18 3.94 -6 12 0 154.55 4.09 -6 -6 0 156.70 4.14 -6 -6 0 160.62 4.08 -6 12 0 158.32 4.08 -12 7 0 42.74 1.34 5 -12 0 42.82 1.35 7 5 0 41.06 1.44 7 5 0 40.02 1.38 -12 7 0 41.75 1.40 -12 7 0 41.29 1.34 7 5 0 41.98 1.38 5 -12 0 40.21 1.38 -12 7 0 42.73 1.39 5 -12 0 41.73 1.38 5 -12 0 42.08 1.35 -12 7 0 40.55 1.21 5 -12 0 45.05 1.37 5 -12 0 42.32 1.35 7 5 0 39.61 1.37 -12 7 0 40.53 1.33 7 5 0 40.65 1.33 12 -7 0 40.45 1.36 -7 -5 0 42.22 1.33 -7 -5 0 41.31 1.35 -5 12 0 40.81 1.35 -7 -5 0 41.76 1.35 -5 12 0 39.34 1.34 -7 -5 0 41.52 1.35 12 -7 0 42.64 1.33 12 -7 0 41.69 1.32 12 -7 0 40.41 1.38 -7 -5 0 40.11 1.31 -5 12 0 40.63 1.35 -7 -5 0 40.97 1.38 -5 12 0 41.76 1.39 -7 -5 0 40.30 1.14 -5 12 0 39.79 1.33 12 -7 0 40.02 1.28 12 -7 0 40.03 1.16 4 -12 0 20.53 0.87 4 -12 0 20.89 0.92 8 4 0 21.63 0.93 -12 8 0 20.89 0.96 8 4 0 21.57 1.01 4 -12 0 20.22 0.90 -12 8 0 21.94 0.91 -12 8 0 22.04 0.89 4 -12 0 20.76 0.88 -12 8 0 22.61 0.93 8 4 0 20.49 0.94 8 4 0 21.10 0.88 4 -12 0 20.34 0.88 8 4 0 20.41 0.94 -12 8 0 20.80 0.86 8 4 0 20.74 0.94 -12 8 0 20.45 0.75 -4 12 0 21.30 0.90 -4 12 0 20.45 0.96 -8 -4 0 20.24 0.89 -8 -4 0 21.97 0.89 12 -8 0 22.04 0.89 12 -8 0 20.75 0.96 -4 12 0 20.16 0.92 -4 12 0 20.85 0.91 12 -8 0 21.14 0.85 -4 12 0 21.22 0.93 -8 -4 0 22.56 0.78 -8 -4 0 20.04 0.91 12 -8 0 20.64 0.91 12 -8 0 19.99 0.89 -8 -4 0 20.06 0.85 12 -8 0 20.53 0.88 -8 -4 0 22.37 0.89 -12 9 0 58.94 1.77 9 3 0 61.66 1.81 9 3 0 58.91 1.88 3 -12 0 61.26 1.78 3 -12 0 58.77 1.77 -12 9 0 61.25 1.94 -12 9 0 58.54 1.83 3 -12 0 61.75 1.80 9 3 0 61.37 1.85 -12 9 0 59.19 1.77 9 3 0 60.52 1.82 3 -12 0 61.02 1.81 9 3 0 56.23 1.83 -12 9 0 59.64 1.79 12 -9 0 58.52 1.79 12 -9 0 61.06 1.78 12 -9 0 60.22 1.77 -9 -3 0 59.36 1.83 -3 12 0 60.63 1.86 -9 -3 0 60.94 1.80 -3 12 0 61.87 1.80 -9 -3 0 60.77 1.81 12 -9 0 55.31 1.81 -3 12 0 55.89 1.84 -3 12 0 60.06 1.80 -3 12 0 60.69 1.82 -3 12 0 57.83 1.81 -9 -3 0 61.02 1.67 -9 -3 0 59.15 1.78 12 -9 0 61.68 1.81 -9 -3 0 65.23 1.82 12 -9 0 60.76 1.86 -9 -3 0 59.31 1.77 -12 10 0 28.94 1.06 10 2 0 27.04 1.05 -12 10 0 26.10 1.10 10 2 0 27.77 1.09 -12 10 0 27.84 1.05 -12 10 0 26.52 1.09 10 2 0 31.94 1.46 2 -12 0 26.75 1.04 10 2 0 24.96 0.84 10 2 0 27.06 1.06 2 -12 0 27.32 1.05 2 -12 0 27.33 1.05 10 2 0 28.39 1.08 2 -12 0 28.05 1.05 2 -12 0 27.56 1.08 -12 10 0 28.67 1.05 2 -12 0 27.10 1.09 10 2 0 28.13 1.10 -10 -2 0 26.85 1.05 -10 -2 0 28.04 1.06 -10 -2 0 25.92 1.01 12 -10 0 28.39 1.06 -2 12 0 27.49 1.08 12 -10 0 28.04 1.07 12 -10 0 25.68 1.08 -10 -2 0 26.11 1.07 -10 -2 0 28.48 1.07 12 -10 0 29.53 1.07 -10 -2 0 28.27 0.90 -2 12 0 27.12 1.07 -10 -2 0 27.99 1.06 12 -10 0 27.27 1.04 -2 12 0 25.76 1.13 -2 12 0 27.55 1.09 -10 -2 0 27.84 1.11 1 -12 0 9.55 0.69 11 1 0 8.54 0.73 11 1 0 9.62 0.69 -12 11 0 10.29 0.72 -12 11 0 9.51 0.68 -12 11 0 9.29 0.75 -12 11 0 9.79 0.75 11 1 0 10.20 0.83 11 1 0 8.71 0.68 -12 11 0 10.20 0.70 11 1 0 8.40 0.64 -12 11 0 8.57 0.66 11 1 0 10.54 0.73 1 -12 0 10.83 0.68 1 -12 0 8.14 0.68 11 1 0 8.33 0.49 11 1 0 10.43 0.75 11 1 0 10.10 0.73 1 -12 0 8.61 0.67 -11 -1 0 8.94 0.48 -1 12 0 9.29 0.78 -11 -1 0 9.04 0.67 -11 -1 0 8.96 0.68 12 -11 0 8.61 0.69 12 -11 0 10.51 0.75 -1 12 0 9.09 0.73 -11 -1 0 12.77 1.08 -11 -1 0 11.92 0.90 -1 12 0 9.27 0.76 -11 -1 0 9.38 0.71 -11 -1 0 9.66 0.67 -11 -1 0 9.22 0.50 12 -11 0 10.20 0.68 -1 12 0 9.44 0.78 -11 -1 0 8.78 0.68 -1 12 0 8.92 0.74 12 -11 0 9.59 0.69 12 -11 0 10.88 0.74 -11 -1 0 9.01 0.48 0 -12 0 121.40 3.32 -12 12 0 121.47 3.34 0 -12 0 121.88 3.28 12 0 0 117.16 3.27 0 -12 0 122.35 3.29 12 0 0 121.08 3.23 -12 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0.32 -13 4 0 0.06 0.31 -13 4 0 -0.11 0.29 9 -13 0 0.18 0.53 4 9 0 0.46 0.35 9 -13 0 -0.11 0.28 -13 4 0 -0.06 0.31 -9 13 0 0.14 0.34 13 -4 0 0.43 0.32 -4 -9 0 -0.02 0.56 -9 13 0 -0.01 0.34 -4 -9 0 0.05 0.32 -9 13 0 0.38 0.36 13 -4 0 -0.48 0.23 -9 13 0 0.27 0.35 13 -4 0 0.44 0.35 -4 -9 0 0.21 0.30 -4 -9 0 0.04 0.32 13 -4 0 0.04 0.32 13 -4 0 0.14 0.34 -4 -9 0 0.01 0.57 -4 -9 0 -0.07 0.29 13 -4 0 0.23 0.35 -4 -9 0 -0.11 0.31 13 -4 0 0.10 0.33 13 -4 0 0.25 0.31 -9 13 0 0.14 0.34 -9 13 0 0.02 0.39 -13 5 0 128.87 3.52 8 -13 0 129.46 3.55 -13 5 0 132.41 3.49 8 -13 0 133.83 3.50 -13 5 0 133.71 3.57 8 -13 0 133.55 3.53 8 -13 0 132.22 3.49 5 8 0 126.60 3.57 5 8 0 134.18 3.60 5 8 0 126.04 3.53 5 8 0 137.97 3.54 5 8 0 128.46 3.56 -13 5 0 126.58 3.54 -13 5 0 138.48 3.55 -13 5 0 134.34 3.50 8 -13 0 131.35 3.56 8 -13 0 130.47 3.51 -5 -8 0 132.92 3.54 -8 13 0 133.31 3.51 -8 13 0 132.84 3.58 13 -5 0 129.66 3.52 -5 -8 0 129.28 3.56 -8 13 0 128.53 3.53 -5 -8 0 130.23 3.46 13 -5 0 134.01 3.55 13 -5 0 128.01 3.37 -5 -8 0 141.01 3.55 -5 -8 0 129.36 3.50 13 -5 0 132.32 3.49 -8 13 0 136.21 3.52 13 -5 0 131.40 3.50 -5 -8 0 127.47 3.39 -5 -8 0 138.25 3.53 -5 -8 0 133.87 3.54 13 -5 0 135.12 3.52 -8 13 0 127.06 3.51 13 -5 0 127.73 3.57 7 -13 0 -0.47 0.28 7 -13 0 -0.32 0.29 6 7 0 -0.36 0.32 -13 6 0 -0.02 0.20 6 7 0 0.01 0.37 -13 6 0 0.35 0.32 6 7 0 0.81 0.67 6 7 0 0.01 0.31 -13 6 0 0.12 0.30 7 -13 0 0.32 0.32 7 -13 0 0.08 0.31 6 7 0 -0.39 0.35 -13 6 0 -0.02 0.30 -13 6 0 -0.09 0.31 -13 6 0 0.22 0.31 -13 6 0 -0.34 0.30 7 -13 0 -0.36 0.29 6 7 0 -0.56 0.34 7 -13 0 -0.69 0.40 -6 -7 0 0.23 0.59 13 -6 0 0.13 0.33 -6 -7 0 0.10 0.29 13 -6 0 0.06 0.34 -6 -7 0 0.21 0.28 -6 -7 0 -0.07 0.30 -7 13 0 -0.45 0.33 -7 13 0 -0.28 0.30 -7 13 0 0.11 0.33 13 -6 0 0.38 0.33 -6 -7 0 -0.19 0.31 13 -6 0 0.05 0.56 -6 -7 0 0.02 0.27 -6 -7 0 0.15 0.20 -6 -7 0 0.07 0.33 13 -6 0 0.02 0.31 -7 13 0 0.18 0.30 13 -6 0 -0.39 0.18 -6 -7 0 0.15 0.31 -7 13 0 0.21 0.34 13 -6 0 -0.11 0.19 13 -6 0 0.22 0.36 -7 13 0 -0.35 0.35 13 -6 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0 105.06 3.02 15 -6 0 109.00 3.04 -9 15 0 110.40 3.05 15 -6 0 106.20 3.00 15 -6 0 106.33 2.85 -6 -9 0 108.37 2.96 -6 -9 0 104.33 2.84 15 -6 0 115.69 3.07 -6 -9 0 108.00 3.03 15 -6 0 112.58 3.03 -9 15 0 114.90 3.04 -9 15 0 103.06 3.08 -6 -9 0 111.59 3.05 7 8 0 3.31 0.55 -15 7 0 4.12 0.48 7 8 0 3.81 0.57 8 -15 0 4.19 0.49 -15 7 0 4.68 0.52 8 -15 0 3.46 0.46 -15 7 0 4.00 0.47 7 8 0 2.40 0.50 -15 7 0 4.78 0.55 -15 7 0 3.22 0.38 8 -15 0 4.17 0.48 7 8 0 2.68 0.48 -15 7 0 3.04 0.47 7 8 0 3.38 0.51 8 -15 0 3.94 0.47 8 -15 0 4.08 0.52 8 -15 0 3.37 0.46 15 -7 0 3.29 0.46 -7 -8 0 3.73 0.47 15 -7 0 3.22 0.44 -7 -8 0 3.10 0.43 -8 15 0 3.10 0.49 -8 15 0 5.29 0.70 -8 15 0 3.12 0.49 -8 15 0 2.59 0.46 -7 -8 0 4.77 0.55 -7 -8 0 3.98 0.50 15 -7 0 5.19 0.79 -7 -8 0 4.15 0.49 -7 -8 0 3.36 0.46 15 -7 0 3.17 0.37 15 -7 0 3.49 0.48 15 -7 0 3.60 0.50 15 -7 0 3.07 0.30 -7 -8 0 4.67 0.53 -7 -8 0 2.84 0.39 15 -7 0 3.43 0.37 15 -7 0 3.71 0.46 -8 15 0 3.54 0.64 15 -7 0 3.70 0.63 -7 -8 0 4.02 0.45 -8 15 0 3.21 0.49 7 -15 0 0.31 0.35 7 -15 0 0.55 0.35 -15 8 0 0.09 0.24 -15 8 0 0.11 0.36 8 7 0 0.05 0.43 7 -15 0 0.38 0.37 7 -15 0 0.09 0.31 -15 8 0 0.44 0.42 8 7 0 0.68 0.53 8 7 0 1.10 0.44 -15 8 0 0.41 0.36 -15 8 0 0.06 0.34 -15 8 0 0.69 0.37 7 -15 0 1.29 0.39 7 -15 0 0.48 0.38 8 7 0 -0.10 0.35 8 7 0 0.47 0.44 8 7 0 0.34 0.41 15 -8 0 0.05 0.24 -8 -7 0 0.47 0.37 -8 -7 0 0.39 0.33 15 -8 0 0.20 0.36 15 -8 0 0.38 0.40 -7 15 0 0.23 0.54 15 -8 0 0.11 0.35 15 -8 0 0.52 0.37 -7 15 0 0.28 0.40 15 -8 0 0.13 0.23 -7 15 0 0.50 0.40 -7 15 0 0.42 0.41 -8 -7 0 0.56 0.36 -8 -7 0 0.07 0.35 -8 -7 0 0.39 0.36 -7 15 0 0.36 0.41 -7 15 0 0.60 0.46 15 -8 0 0.19 0.41 -8 -7 0 -0.01 0.21 15 -8 0 0.69 0.61 -8 -7 0 0.51 0.35 15 -8 0 0.07 0.36 -8 -7 0 0.32 0.33 -8 -7 0 0.36 0.35 -15 9 0 78.11 2.53 -15 9 0 81.15 2.31 6 -15 0 78.77 2.38 9 6 0 78.88 2.44 -15 9 0 79.73 2.40 6 -15 0 82.54 2.35 6 -15 0 78.87 2.31 -15 9 0 79.31 2.35 -15 9 0 82.02 2.36 9 6 0 80.49 2.31 9 6 0 83.58 2.36 9 6 0 77.22 2.37 6 -15 0 79.74 2.33 9 6 0 76.59 2.38 -15 9 0 82.23 2.33 6 -15 0 78.57 2.38 9 6 0 77.31 2.41 -15 9 0 77.02 2.15 -9 -6 0 75.11 2.36 15 -9 0 81.31 2.37 -6 15 0 82.78 2.35 15 -9 0 76.74 2.11 -9 -6 0 80.43 2.35 -9 -6 0 78.17 2.39 -6 15 0 80.09 2.37 15 -9 0 79.64 2.33 15 -9 0 81.90 2.51 -9 -6 0 82.21 2.32 -6 15 0 78.20 2.37 15 -9 0 78.90 2.34 -9 -6 0 80.32 2.35 -6 15 0 80.67 2.33 15 -9 0 78.58 2.30 -9 -6 0 77.66 2.30 15 -9 0 85.44 2.30 15 -9 0 77.90 2.12 -6 15 0 77.33 2.40 -9 -6 0 79.95 2.35 -9 -6 0 79.05 2.22 -15 10 0 4.19 0.50 10 5 0 5.53 0.78 5 -15 0 4.03 0.48 -15 10 0 4.03 0.45 -15 10 0 4.79 0.74 10 5 0 3.64 0.47 5 -15 0 4.29 0.50 -15 10 0 4.01 0.51 5 -15 0 2.96 0.43 5 -15 0 5.47 0.60 10 5 0 2.69 0.49 10 5 0 4.36 0.54 5 -15 0 4.10 0.48 -15 10 0 4.43 0.56 -15 10 0 3.87 0.51 -15 10 0 4.06 0.49 10 5 0 3.36 0.51 10 5 0 4.15 0.57 -10 -5 0 3.74 0.47 15 -10 0 4.36 0.53 15 -10 0 3.97 0.49 -10 -5 0 3.86 0.40 15 -10 0 5.76 0.80 -5 15 0 2.77 0.50 15 -10 0 2.36 0.69 -5 15 0 3.64 0.50 -5 15 0 2.42 0.46 -10 -5 0 3.10 0.46 -5 15 0 3.47 0.50 -10 -5 0 3.95 0.47 -10 -5 0 3.46 0.46 15 -10 0 4.43 0.50 -10 -5 0 3.77 0.48 -5 15 0 3.26 0.53 -5 15 0 3.43 0.54 15 -10 0 3.41 0.43 -10 -5 0 3.25 0.46 -10 -5 0 5.07 0.58 -15 11 0 0.56 0.41 4 -15 0 -0.16 0.67 11 4 0 0.46 0.66 -15 11 0 0.49 0.37 11 4 0 -0.01 0.42 11 4 0 0.68 0.48 -15 11 0 0.22 0.38 4 -15 0 -0.02 0.36 -15 11 0 0.15 0.39 -15 11 0 0.11 0.38 11 4 0 -0.68 0.43 4 -15 0 0.45 0.38 11 4 0 0.34 0.37 4 -15 0 1.07 0.44 11 4 0 -0.11 0.45 -15 11 0 0.62 0.42 4 -15 0 0.46 0.37 11 4 0 0.71 0.39 4 -15 0 0.47 0.37 -15 11 0 1.08 0.31 15 -11 0 0.16 0.36 -4 15 0 0.19 0.45 15 -11 0 0.51 0.38 15 -11 0 0.37 0.37 -11 -4 0 0.95 0.39 -4 15 0 0.33 0.43 -11 -4 0 0.77 0.42 15 -11 0 0.27 0.36 -4 15 0 0.82 0.47 -11 -4 0 0.17 0.52 -4 15 0 0.52 0.45 -4 15 0 0.29 0.44 -11 -4 0 0.61 0.40 -4 15 0 -0.02 0.40 -11 -4 0 0.58 0.37 -11 -4 0 1.01 0.31 -11 -4 0 0.60 0.37 -11 -4 0 0.24 0.39 15 -11 0 0.09 0.65 15 -11 0 -0.21 0.40 -15 12 0 6.83 0.75 12 3 0 5.21 0.56 12 3 0 6.44 0.61 12 3 0 6.09 0.64 12 3 0 6.77 0.64 3 -15 0 7.00 0.69 3 -15 0 9.19 0.98 -15 12 0 7.19 0.74 -15 12 0 7.55 0.63 3 -15 0 7.17 0.72 3 -15 0 6.20 0.59 12 3 0 6.08 0.58 3 -15 0 6.74 0.71 -15 12 0 7.65 0.65 -15 12 0 6.32 0.60 -15 12 0 7.57 0.79 12 3 0 7.16 0.81 -12 -3 0 6.29 0.72 -12 -3 0 7.63 0.53 15 -12 0 6.85 0.75 15 -12 0 7.02 0.82 -12 -3 0 7.28 0.53 15 -12 0 8.29 0.71 15 -12 0 7.22 0.73 -12 -3 0 7.67 0.77 15 -12 0 7.70 0.72 -3 15 0 6.35 0.63 -12 -3 0 6.29 0.68 -3 15 0 6.12 0.65 15 -12 0 6.32 0.65 -3 15 0 8.13 0.97 15 -12 0 7.33 0.64 -12 -3 0 7.46 0.53 -12 -3 0 7.66 0.72 -3 15 0 6.72 0.66 -3 15 0 7.36 0.79 -12 -3 0 8.05 0.74 -12 -3 0 6.67 0.61 -15 13 0 -0.55 0.40 -15 13 0 -0.11 0.38 -15 13 0 -0.82 0.37 13 2 0 -0.43 0.47 -15 13 0 -0.27 0.39 13 2 0 0.03 0.41 13 2 0 -0.72 0.41 2 -15 0 -0.39 0.41 13 2 0 -0.16 0.39 2 -15 0 -0.26 0.38 13 2 0 -0.61 0.43 13 2 0 -0.32 0.42 -15 13 0 -0.26 0.41 13 2 0 -0.10 0.46 -15 13 0 0.24 0.43 2 -15 0 -0.16 0.37 2 -15 0 -0.39 0.36 2 -15 0 0.03 0.39 2 -15 0 -0.01 0.37 -13 -2 0 -0.59 0.36 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-0.26 0.43 -14 -1 0 -0.38 0.38 -14 -1 0 0.18 0.39 -1 15 0 -0.48 0.51 15 -14 0 -0.31 0.40 15 -14 0 -0.40 0.37 15 -14 0 -0.60 0.38 -14 -1 0 -0.14 0.38 -14 -1 0 -0.32 0.37 -14 -1 0 -0.60 0.30 15 0 0 25.39 1.22 -15 15 0 25.14 1.17 15 0 0 26.58 1.24 15 0 0 24.01 1.13 0 -15 0 21.35 1.11 0 -15 0 24.87 1.14 15 0 0 21.81 0.87 15 0 0 22.77 1.22 -15 15 0 23.23 1.15 0 -15 0 24.47 1.20 -15 15 0 24.11 1.15 -15 15 0 23.43 1.24 -15 15 0 25.45 1.19 0 -15 0 23.36 1.16 15 0 0 24.71 1.18 0 -15 0 24.35 1.13 0 -15 0 22.76 1.10 15 0 0 24.95 1.05 0 15 0 26.28 1.24 -15 0 0 27.37 1.40 15 -15 0 22.82 1.21 -15 0 0 24.91 1.15 0 15 0 22.01 1.21 15 -15 0 25.53 1.14 0 15 0 21.78 1.27 -15 0 0 23.88 0.84 15 -15 0 25.17 1.17 -15 0 0 24.93 1.17 15 -15 0 24.11 1.12 -15 0 0 23.18 1.13 15 -15 0 26.29 1.22 0 15 0 26.36 1.23 -15 0 0 25.16 1.24 -15 0 0 24.44 0.83 -15 0 0 23.68 1.11 -15 0 0 27.87 1.16 0 15 0 29.48 1.59 15 -15 0 24.69 1.23 0 15 0 24.20 1.24 15 -16 0 5.12 0.60 1 15 0 4.35 0.63 1 15 0 3.56 0.66 15 -16 0 5.59 0.60 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0.50 -14 16 0 4.62 0.81 -14 16 0 3.16 0.57 16 -2 0 3.03 0.58 16 -2 0 4.04 0.48 -2 -14 0 3.08 0.50 16 -2 0 4.57 0.77 -14 16 0 3.09 0.56 -14 16 0 4.29 0.58 -2 -14 0 3.07 0.53 16 -2 0 3.55 0.39 -2 -14 0 3.88 0.54 16 -2 0 3.71 0.59 16 -2 0 4.71 0.86 -14 16 0 3.51 0.59 -2 -14 0 3.24 0.54 16 -2 0 3.72 0.91 -2 -14 0 3.82 0.53 13 -16 0 -0.23 0.42 13 -16 0 -0.96 0.39 13 -16 0 0.15 0.43 13 -16 0 0.13 0.37 3 13 0 -0.58 0.48 -16 3 0 0.08 0.43 3 13 0 -0.27 0.45 -16 3 0 0.10 0.41 -16 3 0 -0.23 0.38 -16 3 0 0.30 0.42 -16 3 0 -0.03 0.41 13 -16 0 0.23 0.41 3 13 0 0.18 0.45 3 13 0 -0.29 0.47 -16 3 0 -0.27 0.38 3 13 0 0.35 0.56 3 13 0 -0.61 0.49 13 -16 0 0.14 0.39 -13 16 0 0.30 0.46 16 -3 0 0.17 0.37 -13 16 0 0.10 0.51 16 -3 0 -0.22 0.46 -13 16 0 -0.55 0.43 16 -3 0 -0.67 0.40 -13 16 0 0.27 0.49 16 -3 0 0.05 0.28 16 -3 0 -0.25 0.60 -3 -13 0 0.02 0.40 16 -3 0 0.30 0.32 16 -3 0 0.01 0.42 -3 -13 0 -0.07 0.37 -13 16 0 -0.31 0.43 -13 16 0 -0.20 0.43 -3 -13 0 -0.13 0.38 -3 -13 0 -0.09 0.41 -3 -13 0 0.21 0.45 16 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100.64 2.87 -16 5 0 98.72 2.97 -16 5 0 94.88 2.94 5 11 0 105.36 2.94 -16 5 0 105.17 2.94 -16 5 0 97.81 2.86 11 -16 0 105.07 2.94 16 -5 0 97.78 2.94 -11 16 0 103.32 2.88 16 -5 0 103.29 2.87 16 -5 0 101.40 2.85 -5 -11 0 96.82 2.82 -11 16 0 106.24 2.87 -5 -11 0 99.64 2.91 -5 -11 0 100.59 2.89 -5 -11 0 103.76 2.89 -5 -11 0 97.21 2.80 -11 16 0 96.05 2.94 16 -5 0 98.54 2.88 -5 -11 0 96.67 2.72 16 -5 0 97.70 2.82 16 -5 0 97.46 2.65 -5 -11 0 100.15 2.87 16 -5 0 100.32 2.95 -11 16 0 98.37 2.87 16 -5 0 101.96 2.89 -5 -11 0 100.63 2.92 -5 -11 0 101.89 2.85 6 10 0 1.08 0.47 6 10 0 1.27 0.47 -16 6 0 1.24 0.65 6 10 0 0.64 0.43 -16 6 0 1.07 0.41 10 -16 0 1.34 0.71 10 -16 0 1.03 0.40 10 -16 0 1.88 0.45 10 -16 0 0.19 0.36 6 10 0 1.36 0.46 6 10 0 2.33 0.89 16 -6 0 0.86 0.40 -6 -10 0 1.48 0.44 16 -6 0 0.24 0.29 -6 -10 0 1.05 0.40 -6 -10 0 0.67 0.42 -6 -10 0 0.37 0.39 -10 16 0 2.54 0.85 16 -6 0 0.47 0.36 -6 -10 0 0.72 0.40 16 -6 0 1.35 0.44 -10 16 0 1.38 0.46 16 -6 0 0.76 0.41 -10 16 0 1.15 0.45 16 -6 0 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-9 6.15 0.71 3 1 -9 8.74 0.99 1 -4 -9 5.94 0.84 3 1 -9 6.88 0.66 1 -4 -9 5.83 0.67 3 1 -9 6.28 0.80 -3 -1 9 8.38 1.45 4 -3 9 8.03 1.30 -1 4 9 9.17 1.31 4 0 -9 2.50 0.39 -4 4 -9 2.06 0.39 0 -4 -9 3.17 0.66 4 0 -9 2.72 0.77 4 0 -9 2.66 0.50 0 -4 -9 2.42 0.52 0 -4 -9 3.79 0.77 -4 4 -9 3.06 0.67 -4 4 -9 1.69 0.39 4 0 -9 2.05 0.42 4 -4 9 3.29 1.11 -4 0 9 2.65 1.08 0 4 9 3.53 1.08 5 -1 -9 4.36 0.59 5 -1 -9 4.55 0.53 -1 -4 -9 7.82 1.27 -1 -4 -9 6.55 1.03 -4 5 -9 3.18 0.47 5 -1 -9 5.00 0.57 -1 -4 -9 4.68 0.51 -1 -4 -9 4.13 0.64 -4 5 -9 4.35 0.48 4 -5 9 4.92 1.20 1 4 9 7.37 1.20 -5 1 9 6.17 1.27 -4 6 -9 0.63 0.43 6 -2 -9 0.27 0.51 6 -2 -9 1.79 0.45 6 -2 -9 1.31 0.38 -2 -4 -9 1.41 0.70 -2 -4 -9 0.46 1.12 -4 6 -9 0.55 0.41 -2 -4 -9 1.66 0.40 -2 -4 -9 1.18 0.55 -6 2 9 2.44 1.13 4 -6 9 1.57 0.71 2 4 9 3.14 1.06 4 -6 9 1.87 1.02 6 -5 -9 2.38 0.39 6 -5 -9 2.86 0.56 -5 -1 -9 2.58 0.38 -5 -1 -9 3.23 0.56 -1 6 -9 4.32 0.72 1 -6 9 3.65 1.20 1 -6 9 3.77 0.84 1 -6 9 4.62 0.82 5 1 9 4.67 1.08 5 1 9 3.23 1.21 5 -5 -9 1.75 0.32 -5 0 -9 2.06 0.32 5 -5 -9 4.27 0.79 0 5 -9 1.75 0.47 0 5 -9 2.82 0.72 5 -5 -9 2.54 0.70 0 5 -9 1.68 0.47 5 -5 -9 1.64 0.52 -5 0 -9 1.97 0.36 5 -5 -9 1.77 0.29 -5 0 -9 2.38 0.56 0 -5 9 2.95 0.75 0 -5 9 2.67 0.69 5 0 9 3.11 1.03 0 -5 9 3.29 1.17 1 4 -9 6.80 0.83 4 -5 -9 6.08 0.65 1 4 -9 5.63 0.55 -5 1 -9 6.15 0.52 4 -5 -9 4.96 0.79 4 -5 -9 6.17 0.82 -5 1 -9 5.68 0.56 -5 1 -9 5.75 0.66 -1 -4 9 6.84 0.96 5 -1 9 6.35 1.13 -1 -4 9 4.30 1.07 2 3 -9 1.29 0.66 -5 2 -9 2.43 0.33 2 3 -9 1.47 0.45 -5 2 -9 2.50 0.60 2 3 -9 2.58 0.45 3 -5 -9 2.54 0.51 3 -5 -9 2.11 0.65 3 -5 -9 3.08 0.84 2 3 -9 1.32 0.47 -2 -3 9 3.03 1.18 -3 5 9 2.92 0.94 5 -2 9 2.35 1.02 -2 -3 9 3.25 0.78 3 2 -9 2.68 0.62 3 2 -9 1.24 0.45 3 2 -9 1.26 0.42 -5 3 -9 1.43 0.55 2 -5 -9 2.25 0.68 2 -5 -9 1.54 0.65 -5 3 -9 1.02 0.33 -5 3 -9 1.06 0.36 3 2 -9 1.58 0.73 2 -5 -9 1.46 0.47 -3 -2 9 2.16 1.05 -2 5 9 2.39 1.02 5 -3 9 1.08 0.95 -5 4 -9 5.75 0.60 4 1 -9 5.42 0.53 -5 4 -9 6.22 0.61 1 -5 -9 6.82 0.93 1 -5 -9 7.86 0.97 4 1 -9 5.53 0.57 4 1 -9 7.86 1.35 4 1 -9 6.34 0.71 1 -5 -9 5.79 0.59 -4 -1 9 9.96 1.47 -1 5 9 7.44 1.14 5 -4 9 5.62 1.10 0 -5 -9 2.58 0.48 -5 5 -9 1.73 0.42 0 -5 -9 2.95 0.75 -5 5 -9 2.01 0.41 5 0 -9 2.73 0.52 5 0 -9 2.27 0.46 0 -5 -9 2.66 0.58 5 0 -9 1.97 0.44 5 -5 9 3.15 1.07 -5 0 9 3.22 1.06 0 5 9 2.22 0.99 6 -1 -9 2.37 0.56 6 -1 -9 2.26 0.51 -5 6 -9 1.59 0.43 -1 -5 -9 3.21 0.63 -5 6 -9 2.05 0.47 -1 -5 -9 2.50 0.74 5 -6 9 3.33 0.74 1 5 9 3.28 1.09 5 -6 9 3.91 1.19 -6 1 9 3.18 1.17 5 -6 -9 4.68 0.84 1 5 -9 3.48 0.87 -6 1 -9 3.64 0.42 -6 1 -9 4.50 0.60 5 -6 -9 3.21 0.59 -1 -5 9 4.80 0.88 -1 -5 9 5.56 1.28 -1 -5 9 5.32 0.83 6 -1 9 5.46 1.06 4 -6 -9 1.47 0.53 4 -6 -9 2.06 0.69 4 -6 -9 1.65 0.63 2 4 -9 2.79 0.97 -6 2 -9 1.82 0.40 -6 2 -9 2.18 0.54 2 4 -9 1.11 0.51 2 4 -9 0.89 0.45 -6 2 -9 1.47 0.35 -4 6 9 2.78 0.96 6 -2 9 1.70 0.99 -2 -4 9 2.73 1.03 -2 -4 9 2.71 0.76 3 -6 -9 7.16 0.80 3 3 -9 7.99 0.77 -6 3 -9 7.76 0.60 3 -6 -9 6.80 0.79 3 3 -9 10.22 1.05 -6 3 -9 6.60 0.65 3 -6 -9 7.79 0.98 3 3 -9 6.65 0.76 6 -3 9 7.64 1.16 -3 -3 9 10.14 1.47 -3 -3 9 9.67 1.07 -3 6 9 11.88 1.63 4 2 -9 7.16 0.69 -6 4 -9 7.73 0.62 2 -6 -9 9.93 1.03 2 -6 -9 9.30 0.99 2 -6 -9 7.05 0.67 -6 4 -9 7.15 0.67 4 2 -9 5.67 0.58 4 2 -9 8.12 0.74 6 -4 9 8.24 1.26 -4 -2 9 6.12 1.19 -2 6 9 7.51 1.13 5 1 -9 2.91 0.51 5 1 -9 3.62 0.55 1 -6 -9 4.07 0.84 -6 5 -9 2.57 0.45 -6 5 -9 2.49 0.41 6 -5 9 3.13 1.07 -1 6 9 3.55 1.10 -5 -1 9 3.90 1.19 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 29184 _shelx_res_file ; TITL 22av_mg1_zn1mim_0P 3 R = 0.06 New:P-3 shelx.res created by SHELXL-2018/3 at 14:50:47 on 02-Nov-2022 CELL 0.71073 19.1227 19.1227 7.4770 90.000 90.000 120.000 ZERR 3.00 0.0010 0.0010 0.0005 0.000 0.000 0.000 LATT 1 SYMM - Y, X - Y, Z SYMM - X + Y, - X, Z SFAC C H N O ZN UNIT 72 108 42 18 3 MERG 2 OMIT -2.00 56.00 OMIT -4 5 0 OMIT -1 1 1 OMIT 0 1 1 TWIN -1.00 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 1.00 2 MORE -1 FMAP 2 PLAN 1 ACTA BOND $H CONF L.S. 5 TEMP -100.00 WGHT 0.044900 1.296100 BASF 0.37602 FVAR 0.18082 MOLE 1 C1 1 0.353190 0.561584 0.843158 11.00000 0.04320 0.03991 = 0.03206 0.00146 0.00131 0.02388 AFIX 43 H1 2 0.397348 0.608195 0.894545 11.00000 -1.20000 AFIX 0 C2 1 0.325247 0.484834 0.899819 11.00000 0.05525 0.05223 = 0.03185 0.00653 0.00821 0.03954 AFIX 43 H2 2 0.345852 0.467857 0.995698 11.00000 -1.20000 AFIX 0 C3 1 0.254027 0.485490 0.674926 11.00000 0.05295 0.03316 = 0.03781 0.00435 -0.00373 0.01674 AFIX 43 H3 2 0.214048 0.466944 0.583882 11.00000 -1.20000 AFIX 0 C4 1 0.215539 0.348692 0.794520 11.00000 0.09913 0.03144 = 0.08009 0.01136 -0.01283 0.02374 AFIX 137 H4A 2 0.221478 0.328911 0.911228 11.00000 -1.50000 H4B 2 0.235574 0.327455 0.700603 11.00000 -1.50000 H4C 2 0.158422 0.330563 0.773011 11.00000 -1.50000 AFIX 0 C5 1 0.311913 0.770166 0.230883 11.00000 0.04636 0.05114 = 0.03350 -0.00001 -0.00397 0.03089 AFIX 43 H5 2 0.266360 0.723578 0.183396 11.00000 -1.20000 AFIX 0 C6 1 0.341535 0.846106 0.167925 11.00000 0.05869 0.06211 = 0.03419 0.01114 0.00657 0.04492 AFIX 43 H6 2 0.321104 0.862707 0.071015 11.00000 -1.20000 AFIX 0 C7 1 0.414325 0.845517 0.392434 11.00000 0.05964 0.03176 = 0.04740 0.00621 -0.01149 0.01923 AFIX 43 H7 2 0.455942 0.864052 0.479686 11.00000 -1.20000 AFIX 0 C8 1 0.455265 0.981187 0.260652 11.00000 0.12617 0.04346 = 0.08180 0.02497 0.00348 0.03750 AFIX 137 H8A 2 0.510363 0.998228 0.300205 11.00000 -1.50000 H8B 2 0.431985 1.005728 0.337839 11.00000 -1.50000 H8C 2 0.456463 0.998554 0.136826 11.00000 -1.50000 AFIX 0 N1 3 0.308476 0.562023 0.701230 11.00000 0.03337 0.03323 = 0.03039 0.00263 0.00503 0.01709 N2 3 0.262147 0.437203 0.792599 11.00000 0.05541 0.03392 = 0.04263 0.00871 0.00643 0.02298 N3 3 0.357251 0.770131 0.373547 11.00000 0.03562 0.03524 = 0.03066 0.00312 0.00128 0.01969 N4 3 0.406154 0.893498 0.271195 11.00000 0.07269 0.04202 = 0.04671 0.01301 0.00489 0.03505 ZN1 5 0.333333 0.666667 0.538401 10.33330 0.02969 0.02969 = 0.02981 0.00000 0.00000 0.01484 MOLE 2 C9 1 0.115652 0.124007 0.296027 11.00000 0.04108 0.03656 = 0.03706 -0.00424 -0.00336 0.01601 AFIX 3 H9 2 0.129642 0.086107 0.340727 11.00000 -1.20000 AFIX 0 C10 1 0.149467 0.201664 0.349786 11.00000 0.05297 0.04225 = 0.03853 -0.00236 -0.00331 0.01791 AFIX 3 H10 2 0.192987 0.227884 0.431476 11.00000 -1.20000 AFIX 0 C11 1 0.060164 0.176770 0.142471 11.00000 0.04067 0.03277 = 0.04329 -0.00679 0.00005 0.01734 AFIX 43 H11 2 0.027212 0.184470 0.058845 11.00000 -1.20000 AFIX 0 C12 1 0.127663 0.317476 0.261661 11.00000 0.08256 0.03138 = 0.08111 -0.01533 -0.00646 0.02419 AFIX 137 H12A 2 0.101449 0.327601 0.160283 11.00000 -1.50000 H12B 2 0.185931 0.355400 0.257408 11.00000 -1.50000 H12C 2 0.105592 0.324868 0.373768 11.00000 -1.50000 AFIX 0 N5 3 0.059520 0.108580 0.164164 11.00000 0.03396 0.03110 = 0.03954 -0.00147 0.00154 0.01533 N6 3 0.112683 0.234273 0.251942 11.00000 0.04974 0.02929 = 0.04934 -0.00581 0.00284 0.01413 ZN2 5 0.000000 0.000000 0.000000 10.16667 0.02708 0.02708 = 0.03724 0.00000 0.00000 0.01354 MOLE 3 N7 3 0.655316 0.661362 0.737767 11.00000 0.04787 0.05843 = 0.06919 0.02253 0.00877 0.02750 O1 4 0.674073 0.610622 0.694395 11.00000 0.10780 0.08766 = 0.14738 -0.01818 -0.00388 0.05944 O2 4 0.661811 0.680731 0.892509 11.00000 0.15615 0.14972 = 0.06530 0.01650 0.02885 0.09108 O3 4 0.635416 0.690277 0.618066 11.00000 0.13095 0.11325 = 0.13265 0.01589 -0.05076 0.07051 HKLF 4 REM 22av_mg1_zn1mim_0P 3 R = 0.06 New:P-3 REM wR2 = 0.0904, GooF = S = 1.121, Restrained GooF = 1.121 for all data REM R1 = 0.0315 for 3073 Fo > 4sig(Fo) and 0.0360 for all 3247 data REM 208 parameters refined using 0 restraints END WGHT 0.0449 1.2961 REM Highest difference peak 0.506, deepest hole -0.362, 1-sigma level 0.049 Q1 1 0.6673 0.6438 0.5876 11.00000 0.05 0.51 ; _shelx_res_checksum 77790 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C C1 0.35319(17) 0.56158(16) 0.8432(4) 0.0370(5) Uani d 1 . . H H1 0.397348 0.608195 0.894545 0.044 Uiso calc 1 . . C C2 0.32525(18) 0.48483(17) 0.8998(4) 0.0408(6) Uani d 1 . . H H2 0.345852 0.467857 0.995698 0.049 Uiso calc 1 . . C C3 0.25403(19) 0.48549(16) 0.6749(4) 0.0434(6) Uani d 1 . . H H3 0.214048 0.466944 0.583882 0.052 Uiso calc 1 . . C C4 0.2155(3) 0.3487(2) 0.7945(6) 0.0742(12) Uani d 1 . . H H4A 0.221478 0.328911 0.911228 0.111 Uiso calc 1 . . H H4B 0.235574 0.327455 0.700603 0.111 Uiso calc 1 . . H H4C 0.158422 0.330563 0.773011 0.111 Uiso calc 1 . . C C5 0.31191(18) 0.77017(19) 0.2309(4) 0.0408(6) Uani d 1 . . H H5 0.26636 0.723578 0.183396 0.049 Uiso calc 1 . . C C6 0.34153(19) 0.84611(19) 0.1679(4) 0.0451(7) Uani d 1 . . H H6 0.321104 0.862707 0.071015 0.054 Uiso calc 1 . . C C7 0.41433(19) 0.84552(17) 0.3924(4) 0.0479(7) Uani d 1 . . H H7 0.455942 0.864052 0.479686 0.057 Uiso calc 1 . . C C8 0.4553(3) 0.9812(2) 0.2607(6) 0.0860(15) Uani d 1 . . H H8A 0.510363 0.998228 0.300205 0.129 Uiso calc 1 . . H H8B 0.431985 1.005728 0.337839 0.129 Uiso calc 1 . . H H8C 0.456463 0.998554 0.136826 0.129 Uiso calc 1 . . N N1 0.30848(13) 0.56202(13) 0.7012(3) 0.0321(4) Uani d 1 . . N N2 0.26215(16) 0.43720(15) 0.7926(3) 0.0437(6) Uani d 1 . . N N3 0.35725(12) 0.77013(12) 0.3735(3) 0.0330(4) Uani d 1 . . N N4 0.40615(19) 0.89350(16) 0.2712(4) 0.0510(7) Uani d 1 . . Zn Zn1 0.333333 0.666667 0.53840(6) 0.02973(13) Uani d 1 . . C C9 0.11565(17) 0.12401(17) 0.2960(4) 0.0397(6) Uani d 1 . . H H9 0.129642 0.086107 0.340727 0.048 Uiso d 1 . . C C10 0.14947(19) 0.20166(17) 0.3498(4) 0.0472(7) Uani d 1 . . H H10 0.192987 0.227884 0.431476 0.057 Uiso d 1 . . C C11 0.06016(17) 0.17677(16) 0.1425(4) 0.0394(6) Uani d 1 . . H H11 0.027212 0.18447 0.058845 0.047 Uiso calc 1 . . C C12 0.1277(3) 0.31748(19) 0.2617(6) 0.0669(10) Uani d 1 . . H H12A 0.101449 0.327601 0.160283 0.1 Uiso calc 1 . . H H12B 0.185931 0.3554 0.257408 0.1 Uiso calc 1 . . H H12C 0.105592 0.324868 0.373768 0.1 Uiso calc 1 . . N N5 0.05952(13) 0.10858(12) 0.1642(3) 0.0353(5) Uani d 1 . . N N6 0.11268(16) 0.23427(14) 0.2519(4) 0.0453(6) Uani d 1 . . Zn Zn2 0 0 0 0.03046(17) Uani d 1 . . N N7 0.65532(18) 0.6614(2) 0.7378(5) 0.0581(7) Uani d 1 . . O O1 0.6741(2) 0.6106(2) 0.6944(6) 0.1096(13) Uani d 1 . . O O2 0.6618(3) 0.6807(3) 0.8925(5) 0.1172(14) Uani d 1 . . O O3 0.6354(3) 0.6903(2) 0.6181(6) 0.1214(15) Uani d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 0.0432(14) 0.0399(13) 0.0321(13) 0.0239(11) 0.0013(11) 0.0015(11) C2 0.0552(16) 0.0522(15) 0.0319(12) 0.0395(14) 0.0082(12) 0.0065(11) C3 0.0529(16) 0.0332(13) 0.0378(14) 0.0167(12) -0.0037(12) 0.0044(11) C4 0.099(3) 0.0314(16) 0.080(3) 0.0237(18) -0.013(2) 0.0114(16) C5 0.0464(15) 0.0511(16) 0.0335(13) 0.0309(14) -0.0040(12) 0.0000(13) C6 0.0587(17) 0.0621(18) 0.0342(13) 0.0449(15) 0.0066(13) 0.0111(12) C7 0.0596(18) 0.0318(13) 0.0474(16) 0.0192(13) -0.0115(13) 0.0062(11) C8 0.126(4) 0.043(2) 0.082(3) 0.037(2) 0.003(3) 0.0250(19) N1 0.0334(10) 0.0332(11) 0.0304(10) 0.0171(9) 0.0050(8) 0.0026(8) N2 0.0554(15) 0.0339(12) 0.0426(13) 0.0230(11) 0.0064(11) 0.0087(10) N3 0.0356(10) 0.0352(11) 0.0307(10) 0.0197(9) 0.0013(8) 0.0031(8) N4 0.0727(19) 0.0420(14) 0.0467(14) 0.0351(14) 0.0049(13) 0.0130(11) Zn1 0.02969(16) 0.02969(16) 0.0298(2) 0.01484(8) 0 0 C9 0.0411(14) 0.0366(13) 0.0371(15) 0.0160(12) -0.0034(11) -0.0042(11) C10 0.0530(16) 0.0423(15) 0.0385(14) 0.0179(13) -0.0033(13) -0.0024(12) C11 0.0407(13) 0.0328(12) 0.0433(14) 0.0173(11) 0.0000(12) -0.0068(11) C12 0.083(3) 0.0314(16) 0.081(3) 0.0242(17) -0.006(2) -0.0153(16) N5 0.0340(11) 0.0311(10) 0.0395(12) 0.0153(9) 0.0015(9) -0.0015(9) N6 0.0497(14) 0.0293(12) 0.0493(14) 0.0141(11) 0.0028(11) -0.0058(10) Zn2 0.0271(2) 0.0271(2) 0.0372(4) 0.01354(10) 0 0 N7 0.0479(16) 0.0584(17) 0.0692(19) 0.0275(14) 0.0088(14) 0.0225(14) O1 0.108(3) 0.088(2) 0.147(4) 0.059(2) -0.004(3) -0.018(2) O2 0.156(4) 0.150(4) 0.0653(18) 0.091(3) 0.029(2) 0.016(2) O3 0.131(3) 0.113(3) 0.133(3) 0.071(3) -0.051(3) 0.016(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 '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 0 1 0.208 0 0 -1 0.223 1 1 0 0.115 -1 -1 0 0.091 1 -1 0 0.124 -1 1 0 0.168 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C2 C1 N1 . . 109.9(2) ? C2 C1 H1 . . 125 ? N1 C1 H1 . . 125 ? N2 C2 C1 . . 106.3(2) ? N2 C2 H2 . . 126.9 ? C1 C2 H2 . . 126.9 ? N1 C3 N2 . . 111.6(3) ? N1 C3 H3 . . 124.2 ? N2 C3 H3 . . 124.2 ? N2 C4 H4A . . 109.5 ? N2 C4 H4B . . 109.5 ? H4A C4 H4B . . 109.5 ? N2 C4 H4C . . 109.5 ? H4A C4 H4C . . 109.5 ? H4B C4 H4C . . 109.5 ? C6 C5 N3 . . 110.2(3) ? C6 C5 H5 . . 124.9 ? N3 C5 H5 . . 124.9 ? N4 C6 C5 . . 105.8(2) ? N4 C6 H6 . . 127.1 ? C5 C6 H6 . . 127.1 ? N3 C7 N4 . . 111.0(3) ? N3 C7 H7 . . 124.5 ? N4 C7 H7 . . 124.5 ? N4 C8 H8A . . 109.5 ? N4 C8 H8B . . 109.5 ? H8A C8 H8B . . 109.5 ? N4 C8 H8C . . 109.5 ? H8A C8 H8C . . 109.5 ? H8B C8 H8C . . 109.5 ? C3 N1 C1 . . 105.0(2) ? C3 N1 Zn1 . . 128.56(18) ? C1 N1 Zn1 . . 126.11(18) ? C3 N2 C2 . . 107.3(2) ? C3 N2 C4 . . 126.1(3) ? C2 N2 C4 . . 126.5(3) ? C7 N3 C5 . . 105.2(2) ? C7 N3 Zn1 . . 128.32(18) ? C5 N3 Zn1 . . 126.43(19) ? C6 N4 C7 . . 107.8(3) ? C6 N4 C8 . . 126.0(3) ? C7 N4 C8 . . 126.1(3) ? N3 Zn1 N3 . 2_665 91.09(8) ? N3 Zn1 N3 . 3_565 91.09(8) ? N3 Zn1 N3 2_665 3_565 91.09(8) ? N3 Zn1 N1 . 3_565 88.28(8) ? N3 Zn1 N1 2_665 3_565 88.73(8) ? N3 Zn1 N1 3_565 3_565 179.34(8) ? N3 Zn1 N1 . 2_665 88.74(8) ? N3 Zn1 N1 2_665 2_665 179.34(8) ? N3 Zn1 N1 3_565 2_665 88.28(8) ? N1 Zn1 N1 3_565 2_665 91.89(8) ? N3 Zn1 N1 . . 179.34(9) ? N3 Zn1 N1 2_665 . 88.28(8) ? N3 Zn1 N1 3_565 . 88.73(8) ? N1 Zn1 N1 3_565 . 91.89(8) ? N1 Zn1 N1 2_665 . 91.89(8) ? C10 C9 N5 . . 110.0(3) ? C10 C9 H9 . . 124.8 ? N5 C9 H9 . . 125.1 ? C9 C10 N6 . . 105.7(3) ? C9 C10 H10 . . 125.7 ? N6 C10 H10 . . 128.4 ? N5 C11 N6 . . 111.9(3) ? N5 C11 H11 . . 124 ? N6 C11 H11 . . 124 ? N6 C12 H12A . . 109.5 ? N6 C12 H12B . . 109.5 ? H12A C12 H12B . . 109.5 ? N6 C12 H12C . . 109.5 ? H12A C12 H12C . . 109.5 ? H12B C12 H12C . . 109.5 ? C11 N5 C9 . . 104.9(2) ? C11 N5 Zn2 . . 128.3(2) ? C9 N5 Zn2 . . 125.97(18) ? C11 N6 C10 . . 107.5(2) ? C11 N6 C12 . . 125.5(3) ? C10 N6 C12 . . 127.1(3) ? N5 Zn2 N5 6 3 180.00(9) ? N5 Zn2 N5 6 . 88.61(8) ? N5 Zn2 N5 3 . 91.39(8) ? N5 Zn2 N5 6 4 91.39(8) ? N5 Zn2 N5 3 4 88.61(8) ? N5 Zn2 N5 . 4 180 ? N5 Zn2 N5 6 2 88.61(8) ? N5 Zn2 N5 3 2 91.39(8) ? N5 Zn2 N5 . 2 91.39(8) ? N5 Zn2 N5 4 2 88.61(8) ? N5 Zn2 N5 6 5 91.39(8) ? N5 Zn2 N5 3 5 88.61(8) ? N5 Zn2 N5 . 5 88.61(8) ? N5 Zn2 N5 4 5 91.39(8) ? N5 Zn2 N5 2 5 180.00(8) ? O2 N7 O3 . . 125.4(4) ? O2 N7 O1 . . 118.0(4) ? O3 N7 O1 . . 116.5(4) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag C1 C2 . 1.355(4) ? C1 N1 . 1.365(3) ? C1 H1 . 0.95 ? C2 N2 . 1.352(4) ? C2 H2 . 0.95 ? C3 N1 . 1.319(3) ? C3 N2 . 1.339(4) ? C3 H3 . 0.95 ? C4 N2 . 1.467(4) ? C4 H4A . 0.98 ? C4 H4B . 0.98 ? C4 H4C . 0.98 ? C5 C6 . 1.352(4) ? C5 N3 . 1.375(3) ? C5 H5 . 0.95 ? C6 N4 . 1.351(4) ? C6 H6 . 0.95 ? C7 N3 . 1.310(3) ? C7 N4 . 1.353(4) ? C7 H7 . 0.95 ? C8 N4 . 1.458(4) ? C8 H8A . 0.98 ? C8 H8B . 0.98 ? C8 H8C . 0.98 ? N1 Zn1 . 2.182(2) ? N3 Zn1 . 2.177(2) ? C9 C10 . 1.351(4) ? C9 N5 . 1.376(4) ? C9 H9 . 0.95 ? C10 N6 . 1.363(4) ? C10 H10 . 0.9486 ? C11 N5 . 1.308(3) ? C11 N6 . 1.335(4) ? C11 H11 . 0.95 ? C12 N6 . 1.471(4) ? C12 H12A . 0.98 ? C12 H12B . 0.98 ? C12 H12C . 0.98 ? N5 Zn2 . 2.179(2) ? N7 O2 . 1.202(5) ? N7 O3 . 1.209(4) ? N7 O1 . 1.234(5) ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA C12 H12B O1 4_666 0.98 2.44 3.339(7) 152 C12 H12C O3 3_565 0.98 2.36 3.333(7) 169 C12 H12A O2 3_564 0.98 2.62 3.596(8) 174 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag N1 C1 C2 N2 . . . . -0.4(3) ? N3 C5 C6 N4 . . . . 0.5(3) ? N2 C3 N1 C1 . . . . 0.1(3) ? N2 C3 N1 Zn1 . . . . 173.38(18) ? C2 C1 N1 C3 . . . . 0.2(3) ? C2 C1 N1 Zn1 . . . . -173.31(17) ? N1 C3 N2 C2 . . . . -0.3(3) ? N1 C3 N2 C4 . . . . -175.6(3) ? C1 C2 N2 C3 . . . . 0.4(3) ? C1 C2 N2 C4 . . . . 175.7(3) ? N4 C7 N3 C5 . . . . 1.4(4) ? N4 C7 N3 Zn1 . . . . -175.52(19) ? C6 C5 N3 C7 . . . . -1.2(3) ? C6 C5 N3 Zn1 . . . . 175.81(18) ? C5 C6 N4 C7 . . . . 0.3(3) ? C5 C6 N4 C8 . . . . -176.3(4) ? N3 C7 N4 C6 . . . . -1.1(4) ? N3 C7 N4 C8 . . . . 175.5(4) ? N5 C9 C10 N6 . . . . 1.0(3) ? N6 C11 N5 C9 . . . . -0.2(3) ? N6 C11 N5 Zn2 . . . . -170.42(18) ? C10 C9 N5 C11 . . . . -0.6(3) ? C10 C9 N5 Zn2 . . . . 170.0(2) ? N5 C11 N6 C10 . . . . 0.8(3) ? N5 C11 N6 C12 . . . . -179.7(3) ? C9 C10 N6 C11 . . . . -1.1(3) ? C9 C10 N6 C12 . . . . 179.4(3) ?