#------------------------------------------------------------------------------ #$Date: 2024-03-05 21:42:17 +0100 (Tue, 05 Mar 2024) $ #$Revision: 290326 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/30/2023004.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_2023004 loop_ _publ_author_name 'Traoré, Bocar' 'Diouf, Ngoné' 'Kébé, Momath' 'Guéye-Sylla, Rokhaya' 'Thiam, Ibrahima Elhadji' 'Diouf, Ousmane' 'Retailleau, Pascal' 'Gaye, Mohamed' _publ_section_title ; Crystal structure of poly[hexa-μ-bro-mido-bis{2-[1-(py-ri-din-2-yl)ethyl-idene-amino]ethanol-ato}tetracopper(II)]. ; _journal_coeditor_code EX2076 _journal_issue 'Pt 2' _journal_name_full 'Acta crystallographica. Section E, Crystallographic communications' _journal_page_first 133 _journal_page_last 136 _journal_paper_doi 10.1107/S2056989023011040 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac '[Cu4 Br6 (C9 H11 N2 O1)2]' _chemical_formula_moiety 'C18 H22 Br6 Cu4 N4 O2' _chemical_formula_sum 'C18 H22 Br6 Cu4 N4 O2' _chemical_formula_weight 1060 _chemical_name_systematic ; Poly[hexa-\m-bromido-bis{2-[1-(pyridin-2-yl)ethylideneamino]ethanolato}\ tetracopper(II)] ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408) ; _cell_angle_alpha 90 _cell_angle_beta 110.896(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 23.1656(12) _cell_length_b 7.7041(3) _cell_length_c 16.5664(8) _cell_measurement_reflns_used 8413 _cell_measurement_temperature 291.80(11) _cell_measurement_theta_max 28.6150 _cell_measurement_theta_min 2.6310 _cell_volume 2762.1(2) _computing_cell_refinement ; CrysAlisPro 1.171.41.108a (Rigaku OD, 2021) ; _computing_data_collection ; CrysAlisPro 1.171.41.108a (Rigaku OD, 2021) ; _computing_data_reduction ; CrysAlisPro 1.171.41.108a (Rigaku OD, 2021) ; _computing_molecular_graphics ; Olex2 1.3 (Dolomanov et al., 2009) ; _computing_publication_material ; Olex2 1.3 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015) ; _computing_structure_solution ; olex2.solve 1.3 (Bourhis et al., 2015) ; _diffrn_ambient_temperature 292.15 _diffrn_detector_area_resol_mean 5.8140 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB AFC12 (RINC): Kappa single' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0563 _diffrn_reflns_av_unetI/netI 0.0340 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 40718 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.022 _diffrn_reflns_theta_min 2.459 _exptl_absorpt_coefficient_mu 11.742 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.47856 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2021) ; _exptl_crystal_colour 'metallic greenish green' _exptl_crystal_density_diffrn 2.551 _exptl_crystal_description block _exptl_crystal_F_000 2004 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.952 _refine_diff_density_min -0.969 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 344 _refine_ls_number_reflns 5446 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.021 _refine_ls_R_factor_all 0.0350 _refine_ls_R_factor_gt 0.0293 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0406P)^2^+3.9895P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0732 _refine_ls_wR_factor_ref 0.0761 _reflns_number_gt 4912 _reflns_number_total 5446 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ex2076sup1.cif _cod_data_source_block I _cod_depositor_comments 'Adding full bibliography for 2023004.cif.' _cod_database_code 2023004 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.202 _shelx_estimated_absorpt_t_max 0.386 _shelx_hkl_file ; 0 0 -2 56.03 3.63 0 0 -2 61.35 3.63 0 0 3 0.78 0.51 0 0 -3 -0.31 0.75 0 0 3 0.37 0.67 0 0 -3 0.16 0.56 0 0 3 1.16 0.56 0 0 -3 0.68 0.56 0 0 3 0.72 0.55 0 0 -3 0.18 0.71 0 0 4 3.18 0.75 0 0 -4 2.32 1.02 0 0 4 2.48 1.02 0 0 -4 3.83 0.78 0 0 4 2.78 0.76 0 0 4 1.97 0.75 0 0 -4 4.17 0.90 0 0 5 -0.08 1.25 0 0 -5 0.94 1.24 0 0 -5 -0.15 1.04 0 0 5 0.60 1.07 0 0 5 0.50 0.79 0 0 5 0.74 0.87 0 0 6 861.34 53.16 0 0 6 841.46 53.31 0 0 -6 890.63 53.24 0 0 6 936.04 53.26 0 0 -6 915.22 53.26 0 0 7 1.02 1.24 0 0 7 0.21 1.50 0 0 -7 -0.10 1.46 0 0 7 0.48 1.79 0 0 8 670.37 42.09 0 0 8 705.10 42.22 0 0 -8 725.29 42.23 0 0 8 718.37 42.32 0 0 9 0.20 1.62 0 0 -9 -1.22 1.96 0 0 9 -2.93 1.96 0 0 9 -0.48 2.52 0 0 10 1831.21 107.94 0 0 10 1773.09 107.67 0 0 -10 1743.68 107.82 0 0 10 1865.02 107.81 0 0 11 2.28 2.09 0 0 11 -0.20 3.23 0 0 11 -0.33 2.56 0 0 12 42.29 3.90 0 0 12 49.88 4.95 0 0 12 51.56 4.27 0 0 13 2.46 2.61 0 0 13 0.19 3.00 0 0 14 1.10 4.31 0 0 14 4.09 2.96 0 0 14 4.68 3.21 0 0 15 1.18 4.57 0 0 15 -1.71 3.04 0 0 15 -0.87 3.44 0 0 16 168.24 12.05 0 0 16 177.13 11.39 0 0 16 156.91 11.07 0 0 17 -5.32 5.51 0 0 17 -3.10 3.87 0 0 17 7.27 3.61 0 0 18 289.39 17.72 0 0 18 250.98 18.41 0 0 19 -2.51 6.28 0 -1 -1 151.96 9.25 0 1 2 370.62 22.46 0 -1 -2 353.22 22.47 0 1 -2 385.38 22.37 0 -1 3 61.64 4.65 0 1 -3 59.54 4.66 0 1 -3 87.47 4.52 0 -1 3 57.44 4.46 0 1 -3 65.45 4.75 0 -1 4 466.02 27.95 0 -1 4 446.86 28.20 0 1 -4 505.24 28.23 0 1 -4 475.84 28.01 0 1 -4 467.87 28.15 0 -1 -4 488.01 28.11 0 1 4 415.39 28.16 0 1 5 81.14 6.02 0 -1 5 96.33 6.45 0 1 -5 103.12 6.45 0 1 -5 90.23 6.34 0 -1 5 114.83 6.11 0 1 -5 103.94 6.08 0 1 5 84.13 6.31 0 1 5 124.11 6.51 0 -1 -5 103.07 6.26 0 1 6 82.40 4.95 0 -1 6 83.14 5.37 0 1 -6 82.94 5.40 0 1 -6 83.04 5.29 0 -1 6 72.99 4.99 0 -1 6 68.90 5.31 0 1 -6 77.12 4.91 0 1 6 83.19 5.30 0 1 6 75.64 5.37 0 -1 -6 80.33 5.17 0 1 7 80.48 5.32 0 -1 7 85.67 5.78 0 1 -7 77.44 5.75 0 1 -7 91.37 5.73 0 -1 7 89.41 5.43 0 -1 7 95.79 5.81 0 -1 -7 80.59 5.54 0 1 -7 76.81 5.26 0 1 7 83.41 5.65 0 1 7 84.65 5.89 0 1 8 418.51 23.93 0 -1 8 403.86 24.24 0 1 -8 403.81 24.22 0 1 -8 426.91 24.13 0 -1 8 357.91 23.97 0 -1 8 393.74 24.25 0 -1 -8 403.65 24.05 0 1 8 408.62 24.15 0 1 -8 395.25 23.85 0 1 8 343.44 24.25 0 1 9 171.24 11.92 0 -1 9 177.21 11.52 0 -1 9 205.02 11.95 0 -1 -9 185.08 11.63 0 1 9 180.60 11.68 0 1 9 195.02 11.46 0 1 -9 177.21 11.84 0 -1 9 183.15 11.91 0 1 10 254.78 16.95 0 -1 10 256.96 16.54 0 -1 -10 262.36 16.61 0 -1 10 282.99 16.85 0 1 10 276.01 16.68 0 1 10 279.54 16.48 0 -1 10 270.50 16.86 0 1 -10 263.09 16.84 0 -1 11 118.52 8.44 0 1 11 121.09 8.68 0 -1 11 116.23 7.92 0 -1 -11 122.62 8.15 0 1 11 129.35 8.18 0 1 11 120.31 7.92 0 -1 11 125.15 8.48 0 1 -11 114.01 8.44 0 -1 12 463.60 28.30 0 1 12 489.34 28.48 0 1 12 458.70 28.26 0 -1 12 468.30 28.66 0 -1 12 467.83 28.76 0 1 12 441.23 28.80 0 -1 13 35.11 4.61 0 1 13 30.32 4.81 0 -1 13 20.86 3.07 0 1 13 24.31 3.70 0 1 13 30.67 3.31 0 -1 13 34.59 4.23 0 -1 14 24.14 4.75 0 1 14 31.68 5.08 0 1 14 28.38 3.85 0 -1 14 25.52 3.00 0 1 14 24.10 3.35 0 -1 14 22.00 4.19 0 -1 15 18.27 4.56 0 1 15 14.20 2.05 0 -1 15 8.63 4.76 0 1 15 18.97 3.94 0 -1 15 18.19 2.79 0 1 15 19.99 3.41 0 1 15 38.06 5.63 0 1 16 106.41 6.87 0 -1 16 101.87 7.29 0 -1 16 119.92 9.20 0 1 16 108.05 8.01 0 -1 16 124.18 8.59 0 1 16 109.12 7.69 0 1 16 114.91 9.18 0 -1 17 62.58 6.44 0 1 17 61.92 4.16 0 -1 17 67.54 4.80 0 -1 17 48.94 7.04 0 1 17 68.82 5.95 0 1 17 49.98 7.27 0 1 17 64.18 5.47 0 1 18 9.53 4.17 0 -1 18 -3.38 4.80 0 1 18 -5.75 5.87 0 -1 18 -4.54 5.72 0 -1 19 4.14 4.65 0 -1 19 6.18 6.01 0 2 0 6272.91 367.76 0 -2 0 6257.62 367.75 0 2 0 5968.48 367.75 0 2 1 89.84 5.14 0 2 -1 64.57 5.21 0 2 1 81.41 5.09 0 -2 -1 69.14 5.08 0 -2 1 86.03 5.25 0 -2 -1 102.77 5.42 0 2 2 3447.51 209.09 0 2 2 3464.76 209.22 0 -2 -2 3264.35 209.23 0 -2 -2 3570.76 209.04 0 -2 2 3466.94 209.25 0 2 2 3620.40 209.05 0 2 3 975.12 52.97 0 -2 -3 1027.53 53.05 0 2 3 838.76 52.74 0 2 -3 822.49 52.80 0 -2 -4 78.78 5.47 0 2 4 81.78 5.35 0 -2 -4 83.06 4.97 0 2 -4 80.76 5.42 0 2 4 78.34 4.97 0 2 -4 81.59 5.06 0 2 -5 579.88 41.90 0 2 -5 556.09 41.82 0 2 5 732.77 41.87 0 2 -5 712.19 41.60 0 2 -6 58.87 4.17 0 -2 6 49.16 4.13 0 2 -6 50.94 3.51 0 2 -6 51.20 4.00 0 2 6 49.81 4.04 0 -2 -6 51.77 3.87 0 -2 7 626.24 36.30 0 2 -7 596.10 36.30 0 2 -7 577.23 36.19 0 -2 7 555.12 35.77 0 2 -7 637.14 35.88 0 2 7 617.35 36.24 0 -2 -7 623.14 36.05 0 2 -8 3335.86 197.41 0 -2 8 3311.01 197.42 0 2 -8 3386.81 197.32 0 -2 8 3223.55 196.90 0 -2 8 3366.15 197.37 0 2 -8 3369.36 196.93 0 2 8 3174.75 197.34 0 2 8 3397.61 197.37 0 -2 -8 3244.91 197.12 0 2 9 216.64 13.54 0 2 -9 230.23 14.41 0 -2 9 233.68 14.40 0 2 -9 221.32 14.21 0 -2 9 226.48 13.59 0 -2 9 258.88 14.49 0 2 -9 206.39 13.62 0 2 9 260.20 14.53 0 2 9 243.47 14.32 0 -2 -9 235.11 14.00 0 -2 10 362.39 21.95 0 2 -10 345.24 21.94 0 2 10 384.51 22.03 0 -2 -10 356.75 21.56 0 -2 10 346.14 21.20 0 -2 10 374.95 21.99 0 2 10 378.41 21.88 0 2 -10 351.22 21.23 0 2 10 340.88 21.19 0 -2 11 8.95 3.33 0 2 -11 8.37 3.72 0 -2 11 6.99 1.39 0 2 11 3.26 3.59 0 -2 -11 3.31 2.65 0 -2 11 15.82 3.86 0 2 11 6.21 3.14 0 2 11 6.13 1.45 0 -2 12 6.19 3.84 0 2 -12 2.29 3.65 0 2 12 8.20 4.14 0 -2 12 3.50 1.39 0 -2 12 -0.25 4.12 0 -2 -12 6.18 2.95 0 2 12 12.28 3.43 0 2 12 8.36 1.63 0 -2 13 89.58 6.37 0 -2 13 116.67 8.33 0 -2 -13 106.68 7.37 0 2 13 125.80 7.75 0 -2 13 119.68 8.21 0 2 13 98.97 6.59 0 2 13 132.45 8.42 0 -2 14 124.64 8.06 0 -2 -14 138.18 9.04 0 -2 14 140.62 9.82 0 2 14 129.45 8.32 0 2 14 141.43 9.79 0 -2 14 136.72 9.87 0 2 14 144.83 9.41 0 -2 15 133.01 8.84 0 2 15 185.53 10.51 0 2 15 164.87 9.28 0 -2 15 155.33 10.69 0 2 15 164.15 10.90 0 -2 15 158.70 11.10 0 -2 16 104.31 8.56 0 -2 16 99.75 8.26 0 2 16 86.27 7.61 0 2 16 91.47 6.38 0 2 16 101.55 8.29 0 2 17 75.15 6.85 0 -2 17 81.04 7.39 0 -2 17 62.86 7.63 0 2 17 74.25 7.36 0 2 18 41.77 5.59 0 -2 18 35.33 6.60 0 2 18 30.46 6.02 0 -2 18 34.44 6.00 0 -2 19 4.53 5.99 0 -2 19 13.87 6.10 0 -2 20 -7.00 5.59 0 3 0 0.11 1.48 0 3 0 0.98 1.59 0 -3 0 -0.43 1.47 0 -3 -1 467.39 25.98 0 3 -1 451.70 25.84 0 3 1 457.21 25.75 0 3 -1 431.04 25.84 0 -3 -1 402.54 25.69 0 -3 1 403.07 25.82 0 3 1 389.49 25.69 0 -3 -2 111.73 7.46 0 3 2 111.64 7.12 0 3 -2 106.71 7.37 0 -3 -2 115.48 7.06 0 -3 2 115.61 7.39 0 3 2 112.05 7.05 0 3 3 376.74 19.92 0 3 -3 339.73 20.23 0 -3 3 326.78 20.21 0 -3 -3 411.27 20.33 0 -3 -3 271.73 19.77 0 3 -4 425.61 24.76 0 3 4 421.06 24.67 0 -3 4 345.63 25.00 0 3 4 384.31 24.91 0 -3 -4 383.26 24.98 0 -3 -4 425.74 24.55 0 3 -5 59.36 4.62 0 -3 -5 60.31 3.92 0 3 5 61.44 3.92 0 3 5 61.88 4.54 0 -3 -5 53.13 4.79 0 3 -5 58.14 4.08 0 3 -6 14.58 2.85 0 3 6 17.25 1.54 0 -3 -6 21.73 1.59 0 3 6 15.95 2.59 0 -3 -6 18.08 2.98 0 3 -6 19.18 1.87 0 3 -7 26.97 3.74 0 -3 7 37.61 3.85 0 3 -7 34.64 3.70 0 3 7 24.82 3.38 0 -3 -7 43.27 3.71 0 3 -7 37.04 2.76 0 3 -8 149.82 9.48 0 -3 8 122.61 9.39 0 3 -8 131.85 8.74 0 3 -8 144.72 9.33 0 3 8 141.79 9.13 0 -3 -8 146.66 9.15 0 -3 -9 12.82 2.91 0 3 -9 11.74 3.30 0 3 -9 7.61 1.80 0 3 9 10.55 3.26 0 3 9 6.32 2.83 0 -3 9 5.97 3.45 0 3 -9 12.44 3.46 0 3 10 6.39 3.10 0 3 -10 9.49 3.38 0 3 -10 4.61 1.49 0 -3 10 2.65 3.52 0 3 -10 7.01 3.45 0 3 10 8.08 3.45 0 -3 10 10.59 3.92 0 -3 -10 7.32 2.92 0 -3 11 228.45 13.17 0 3 -11 202.09 12.94 0 -3 11 210.15 12.97 0 3 -11 174.43 11.61 0 3 11 196.09 12.73 0 3 11 194.61 12.47 0 -3 -11 208.08 12.26 0 -3 -12 246.46 15.63 0 -3 12 255.43 16.43 0 3 -12 250.07 16.27 0 3 12 250.64 16.11 0 3 12 239.50 15.86 0 -3 12 256.76 16.35 0 -3 -13 173.41 11.64 0 -3 13 205.20 12.90 0 3 -13 170.59 12.37 0 3 13 184.57 12.31 0 3 13 176.60 11.95 0 -3 13 169.60 12.51 0 -3 -14 -0.51 3.56 0 -3 14 -0.33 5.32 0 3 14 5.86 4.56 0 3 14 2.61 3.69 0 -3 14 0.33 4.55 0 -3 -15 84.37 6.26 0 -3 15 77.05 7.70 0 3 15 70.27 6.91 0 3 15 56.71 6.44 0 -3 15 78.46 7.21 0 -3 16 -2.52 5.85 0 -3 -16 -0.37 3.92 0 -3 16 -5.92 5.15 0 3 16 -3.31 4.43 0 3 16 4.16 4.41 0 3 17 9.08 5.13 0 -3 17 2.32 5.50 0 3 17 8.26 4.53 0 -3 17 18.63 6.23 0 -3 18 4.79 6.56 0 -3 18 -2.43 5.72 0 3 18 0.32 4.93 0 -3 19 -5.35 6.87 0 -3 19 -2.54 6.09 0 -3 20 28.71 6.96 0 -4 0 1650.68 101.88 0 4 0 1657.24 101.70 0 4 0 1693.42 101.67 0 -4 0 1775.79 101.70 0 -4 -1 4367.78 245.65 0 4 -1 3917.22 245.43 0 4 1 4208.44 245.40 0 -4 1 3957.25 245.44 0 4 -1 4271.84 245.47 0 4 1 4197.75 245.34 0 -4 -1 3941.26 245.32 0 4 -2 94.12 6.74 0 4 2 99.34 6.56 0 -4 -2 97.20 7.01 0 -4 -2 100.34 6.38 0 4 -2 98.51 6.77 0 4 2 96.98 6.39 0 -4 2 90.15 6.81 0 4 -3 668.98 44.69 0 4 3 740.33 44.51 0 4 -3 756.35 44.80 0 -4 3 766.52 44.83 0 -4 -3 825.79 44.94 0 -4 -3 722.28 44.39 0 4 -4 124.20 8.06 0 4 4 124.66 7.89 0 4 -4 123.14 8.45 0 -4 4 129.53 8.53 0 -4 -4 113.86 8.52 0 -4 -4 122.86 7.72 0 4 -5 622.71 38.52 0 4 5 654.63 38.44 0 -4 5 701.24 39.02 0 4 -5 593.72 38.90 0 -4 -5 648.96 38.95 0 -4 -5 632.44 38.26 0 4 6 191.57 12.35 0 -4 -6 181.13 12.50 0 -4 -6 198.38 11.80 0 4 -6 165.55 12.41 0 4 6 195.89 11.79 0 4 -6 195.44 11.95 0 4 -7 488.61 29.01 0 -4 -7 487.24 28.29 0 4 7 446.12 28.79 0 -4 -7 453.87 29.03 0 4 -7 456.04 28.43 0 -4 -8 23.27 4.07 0 4 8 36.40 3.87 0 4 -8 38.42 4.45 0 4 -8 34.72 4.23 0 4 -8 33.40 2.94 0 4 -9 689.43 40.91 0 -4 9 703.75 40.99 0 4 -9 649.85 40.22 0 4 -9 689.66 40.77 0 4 9 640.01 40.51 0 -4 -9 668.38 40.58 0 -4 -10 64.77 5.40 0 4 -10 62.31 5.77 0 4 -10 58.71 4.58 0 4 10 69.98 5.88 0 4 10 60.20 5.41 0 4 -10 65.15 6.14 0 -4 10 59.22 6.02 0 4 -11 381.80 24.21 0 -4 -11 393.37 23.63 0 4 -11 397.82 24.05 0 -4 11 406.98 24.37 0 4 -11 372.53 23.09 0 4 11 391.29 24.11 0 4 11 348.83 23.58 0 -4 11 405.87 24.29 0 -4 12 37.60 5.51 0 4 -12 28.97 5.19 0 4 -12 31.24 2.57 0 4 12 45.92 5.16 0 4 12 39.69 4.56 0 -4 -12 41.75 4.50 0 -4 12 42.62 5.92 0 -4 -13 94.52 7.65 0 4 13 119.22 8.68 0 4 13 95.25 7.82 0 -4 13 109.98 9.38 0 -4 13 117.27 8.89 0 -4 14 35.61 5.81 0 -4 14 33.00 6.51 0 -4 -14 33.20 4.32 0 4 14 22.83 4.39 0 4 14 28.58 5.16 0 -4 15 31.14 5.76 0 4 15 29.92 4.70 0 4 15 34.25 5.85 0 -4 15 23.89 6.67 0 -4 -15 25.54 4.47 0 4 16 155.03 10.91 0 4 16 132.31 10.19 0 -4 16 162.97 12.07 0 -4 16 142.05 11.49 0 4 17 77.12 7.53 0 -4 17 69.08 8.91 0 -4 17 70.30 8.39 0 4 18 0.73 6.02 0 -4 18 11.10 7.37 0 -4 18 -9.00 6.54 0 -4 19 22.62 8.07 0 -5 0 0.52 3.78 0 5 0 -1.93 2.60 0 5 0 0.18 2.61 0 -5 0 -0.18 2.56 0 5 1 97.23 6.70 0 5 -1 100.56 6.87 0 -5 -1 93.17 7.33 0 -5 -1 84.94 6.60 0 5 1 96.57 6.60 0 -5 1 94.67 6.89 0 5 -1 85.44 6.71 0 5 -2 238.73 14.95 0 5 2 228.10 14.73 0 -5 -2 229.00 15.17 0 -5 -2 240.15 14.62 0 5 -2 229.43 14.87 0 -5 2 235.24 14.95 0 5 -3 54.76 5.05 0 5 3 58.59 4.65 0 -5 3 48.69 5.04 0 5 -3 55.01 5.11 0 -5 -3 63.97 5.53 0 -5 -3 55.52 4.34 0 5 -4 382.66 22.22 0 5 -4 317.24 22.43 0 5 4 346.71 22.06 0 5 -4 371.27 22.52 0 -5 4 370.91 22.57 0 -5 -4 348.44 22.59 0 -5 -4 373.59 21.93 0 5 5 14.72 2.60 0 -5 5 21.81 3.82 0 5 -5 16.04 3.69 0 5 -5 16.09 2.94 0 -5 -5 17.81 2.14 0 -5 -5 15.67 4.13 0 -5 -6 4.30 2.25 0 -5 6 2.26 3.62 0 5 -6 2.52 3.50 0 5 -6 7.01 2.61 0 5 6 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7.31 -8 -7 7 15.88 5.36 8 7 -7 21.02 5.39 -8 -7 7 21.35 5.29 8 7 -7 21.69 5.54 8 -7 -7 23.30 3.98 8 7 -7 11.63 4.33 8 -7 -7 19.34 7.20 -8 -7 6 17.17 5.26 -8 7 6 19.63 5.15 8 7 -6 15.64 4.86 -8 -7 6 18.63 4.94 8 -7 -6 18.47 4.06 8 7 -6 20.65 5.45 8 7 -6 28.00 4.43 8 -7 -6 23.69 7.13 -8 -7 5 86.25 7.72 -8 7 5 87.83 7.44 8 7 -5 74.36 7.59 -8 -7 5 90.95 7.82 8 -7 -5 83.24 7.09 8 7 -5 98.75 7.94 8 7 -5 86.85 7.39 8 -7 -5 86.97 8.77 -8 -7 4 9.65 4.75 -8 -7 4 19.28 5.20 -8 7 4 23.69 4.83 8 7 -4 18.26 4.68 8 -7 -4 21.34 4.46 8 7 -4 20.01 5.04 8 -7 -4 33.26 6.90 -8 -7 3 145.07 10.89 -8 7 3 142.72 10.84 8 7 -3 155.94 10.95 8 -7 -3 158.50 10.83 8 7 -3 160.07 11.23 8 -7 -3 151.61 12.10 -8 -7 3 148.95 10.90 -8 -7 2 49.36 5.66 -8 7 2 43.65 5.58 -8 -7 2 40.95 5.68 8 7 -2 43.25 5.48 8 -7 -2 46.68 5.89 8 7 -2 53.59 6.05 8 -7 -2 45.32 7.27 -8 -7 1 37.13 5.21 8 7 -1 26.43 4.84 8 -7 -1 25.88 4.93 -8 7 1 30.61 5.16 8 -7 -1 31.74 6.90 8 7 -1 28.21 5.67 -8 -7 1 23.02 4.86 -8 -7 0 0.56 4.10 8 7 0 0.76 3.87 8 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3.33 10 -3 7 62.91 5.88 10 -3 7 59.10 5.48 10 -3 7 47.18 5.37 10 3 7 58.48 5.07 10 3 7 52.24 5.82 -10 3 -7 60.78 5.84 10 -3 7 46.46 5.88 10 3 7 45.01 4.74 10 -3 8 39.42 5.16 10 -3 8 37.56 4.74 10 3 8 37.80 4.50 10 -3 8 29.21 4.98 -10 3 -8 47.68 5.32 10 3 8 50.52 5.69 10 -3 8 46.50 5.60 10 3 8 38.11 4.27 10 -3 9 8.84 4.69 10 3 9 6.59 3.28 10 -3 9 4.51 3.94 10 -3 9 4.52 4.12 -10 3 -9 11.08 4.60 10 3 9 8.58 4.94 10 -3 9 11.23 4.78 10 3 9 2.86 3.03 10 -3 10 191.33 13.00 10 3 10 205.15 12.42 10 -3 10 197.84 12.95 10 3 10 145.02 12.17 10 3 10 202.34 13.41 -10 3 -10 183.59 13.07 10 -3 10 228.97 13.43 10 3 10 199.48 12.29 10 -3 10 181.19 13.38 10 -3 11 5.88 5.30 10 3 11 6.66 3.22 10 3 11 5.16 3.33 10 -3 11 6.52 4.61 10 -3 11 5.79 4.34 -10 3 -11 5.86 4.52 10 3 11 16.89 5.69 10 -3 11 6.35 5.57 10 3 11 0.80 3.24 10 3 12 -0.31 3.09 10 -3 12 7.42 5.34 10 -3 12 6.76 4.88 10 3 12 6.67 3.31 10 -3 12 3.48 4.27 10 -3 12 2.23 4.75 10 3 12 2.36 5.54 -10 3 -12 2.63 4.34 10 -3 12 0.98 5.79 10 3 12 2.69 3.27 10 -3 13 19.93 5.61 10 -3 13 11.24 4.50 10 3 13 8.62 6.23 10 -3 13 15.09 6.03 -10 3 -13 14.75 4.75 10 -3 13 14.15 5.70 10 -3 13 17.13 4.99 10 -3 14 14.75 5.24 10 -3 14 19.50 5.75 10 3 14 21.13 6.58 10 -3 14 19.34 6.31 10 -3 14 28.99 6.57 10 -3 15 118.27 10.57 10 3 15 111.17 10.64 10 -3 16 0.99 6.72 10 3 16 -0.97 6.81 10 -4 -20 4.92 7.00 -10 -4 20 -4.71 6.25 10 4 -20 8.49 5.69 -10 4 20 -1.71 8.57 -10 -4 19 85.58 9.00 10 4 -19 77.47 7.88 -10 -4 19 85.13 8.03 -10 4 19 79.13 7.50 -10 -4 19 79.96 9.97 10 -4 -19 74.95 8.98 -10 4 19 63.91 6.96 -10 4 19 67.46 10.39 10 4 -18 6.74 5.32 -10 -4 18 1.72 5.38 -10 4 18 4.83 4.74 10 4 -18 0.90 6.33 10 -4 -18 3.00 6.85 -10 -4 18 1.40 7.31 -10 -4 18 10.79 6.17 -10 4 18 11.23 8.25 10 4 -17 20.92 5.92 -10 -4 17 27.55 5.63 -10 4 17 15.25 4.92 10 4 -17 22.07 6.45 10 -4 -17 8.94 6.57 -10 -4 17 29.03 6.77 -10 -4 17 23.69 6.13 -10 4 17 23.71 7.97 -10 -4 16 54.44 6.74 10 4 -16 64.97 6.74 -10 4 16 48.00 6.36 10 4 -16 64.83 7.28 10 -4 -16 76.12 7.84 -10 -4 16 60.30 8.16 -10 -4 16 66.38 7.40 -10 4 16 48.09 8.75 -10 -4 15 58.96 6.69 10 4 -15 74.41 6.89 -10 4 15 60.83 6.50 10 4 -15 83.41 7.55 10 -4 -15 66.64 4.71 -10 -4 15 67.58 7.98 10 -4 -15 46.53 7.64 -10 -4 15 56.85 7.17 -10 4 15 70.38 8.84 10 4 -14 21.48 5.05 -10 -4 14 21.33 4.95 -10 4 14 13.11 4.30 10 4 -14 15.52 5.63 10 -4 -14 13.81 2.59 -10 -4 14 25.71 6.16 10 -4 -14 16.79 5.97 -10 -4 14 15.47 5.32 -10 4 14 21.86 7.23 -10 4 13 71.29 6.44 -10 -4 13 74.09 6.51 10 -4 -13 60.90 4.34 10 4 -13 71.72 7.10 10 -4 -13 66.77 4.94 -10 -4 13 83.16 6.98 10 -4 -13 71.15 7.86 -10 4 13 85.81 8.70 -10 4 12 152.83 10.51 10 -4 -12 144.20 9.26 10 -4 -12 145.97 9.29 -10 -4 12 147.42 10.61 10 4 -12 161.35 10.90 -10 4 12 132.79 11.92 10 -4 -12 139.23 11.35 10 -4 -12 157.50 9.58 -10 -4 12 150.84 10.82 -10 -4 11 287.45 20.08 10 -4 -11 290.33 19.13 10 4 -11 328.78 20.13 10 -4 -11 306.53 19.00 -10 -4 11 356.71 20.04 10 4 -11 312.09 18.75 -10 4 11 344.06 19.91 -10 4 11 291.35 20.86 10 -4 -11 301.80 20.47 -10 -4 10 37.05 4.74 -10 4 10 47.69 4.84 10 -4 -10 33.42 3.27 -10 -4 10 41.71 5.58 10 4 -10 35.80 3.31 -10 4 10 27.60 6.40 10 -4 -10 37.76 6.19 10 -4 -10 37.02 3.70 -10 -4 9 252.17 15.26 -10 4 9 235.88 15.14 -10 -4 9 244.28 15.47 10 -4 -9 227.09 14.81 10 4 -9 242.47 14.57 -10 4 9 214.99 16.11 10 -4 -9 190.67 15.74 -10 -4 8 188.93 12.78 -10 -4 8 196.98 12.71 -10 4 8 192.19 12.57 10 -4 -8 196.50 12.53 -10 -4 8 204.80 12.95 10 4 -8 190.10 12.04 -10 4 8 168.75 13.42 10 -4 -8 179.53 13.38 10 -4 -7 150.22 9.55 -10 4 7 102.87 8.03 10 -4 -7 124.83 8.22 -10 -4 7 110.93 8.39 10 4 -7 111.00 7.56 -10 4 7 132.60 9.42 -10 -4 7 94.35 8.17 10 4 -7 96.35 8.23 10 4 -6 7.61 3.25 10 -4 -6 2.10 4.63 -10 4 6 10.53 3.26 -10 -4 6 -0.46 3.67 10 4 -6 6.44 2.66 -10 4 6 11.59 4.66 -10 -4 6 8.58 3.50 10 4 -5 -0.97 3.27 -10 -4 5 3.63 3.61 -10 -4 5 0.93 3.27 10 4 -5 -0.85 2.76 -10 -4 5 -3.60 3.34 10 -4 -5 9.60 4.51 -10 -4 4 75.68 6.50 -10 -4 4 89.53 6.60 10 4 -4 88.08 6.21 10 4 -4 80.19 6.34 -10 -4 4 86.85 6.47 -10 -4 3 41.81 4.27 -10 4 3 33.62 4.30 -10 -4 3 42.36 4.22 10 4 -3 32.31 4.10 -10 -4 3 46.10 4.42 10 4 -3 37.72 4.15 -10 -4 2 120.26 8.86 -10 4 2 132.52 8.99 10 4 -2 131.50 8.92 -10 -4 2 145.21 8.84 -10 4 2 119.53 9.64 -10 -4 2 121.61 8.86 10 4 -2 128.93 8.79 -10 -4 1 760.30 45.30 -10 -4 1 731.11 45.03 -10 -4 1 740.07 45.22 10 4 -1 750.51 45.32 10 -4 -1 764.81 45.58 10 4 -1 738.14 45.18 -10 -4 0 325.71 20.11 -10 4 0 323.85 20.15 10 -4 0 294.88 20.06 10 -4 0 305.06 20.15 -10 -4 0 354.02 19.83 -10 -4 0 324.23 20.03 10 4 0 339.64 20.24 10 -4 0 319.91 20.46 10 4 0 298.38 19.95 10 -4 1 322.72 19.14 -10 4 -1 306.24 18.92 10 -4 1 289.08 18.92 -10 -4 -1 310.94 18.84 -10 -4 -1 287.26 18.48 10 4 1 302.98 19.11 10 -4 1 302.69 19.28 10 4 1 297.01 18.72 10 -4 2 223.96 14.65 10 -4 2 193.59 14.50 -10 4 -2 220.01 14.45 10 -4 2 230.92 14.56 -10 -4 -2 225.00 14.36 -10 -4 -2 249.08 13.94 10 4 2 196.85 14.65 10 -4 2 225.54 14.85 10 4 2 223.07 14.14 10 4 3 554.71 32.99 -10 4 -3 561.51 33.27 10 -4 3 552.78 33.31 -10 -4 -3 592.94 33.25 -10 -4 -3 502.57 32.63 10 4 3 530.92 33.44 -10 -4 -3 566.59 32.82 10 -4 3 546.29 33.52 10 -4 3 502.98 33.43 10 4 4 71.91 5.54 10 -4 4 80.02 6.27 10 4 4 63.58 5.65 -10 4 -4 77.65 6.24 10 -4 4 74.38 6.80 -10 -4 -4 70.61 5.05 -10 -4 -4 76.87 4.89 10 -4 5 61.50 5.65 10 -4 5 69.30 5.92 10 4 5 60.89 5.11 -10 4 -5 53.55 5.68 10 -4 5 57.04 6.44 10 4 5 53.05 4.79 10 -4 6 73.12 6.67 10 -4 6 79.63 6.50 10 -4 6 71.03 6.55 10 4 6 60.20 5.74 -10 4 -6 75.89 6.63 10 4 6 82.51 6.84 10 -4 6 84.40 7.16 10 4 6 69.85 5.48 10 -4 7 257.12 16.68 10 -4 7 259.69 16.35 10 4 7 241.67 15.82 10 -4 7 269.13 16.55 10 4 7 292.76 16.85 -10 4 -7 217.48 16.40 10 -4 7 262.57 16.86 10 4 7 235.65 15.59 10 -4 8 234.73 17.14 10 -4 8 262.13 16.76 10 -4 8 255.65 16.99 10 4 8 249.19 16.21 -10 4 -8 250.10 16.98 10 4 8 272.56 17.24 10 -4 8 274.61 17.40 10 4 8 263.26 16.02 10 -4 9 99.30 8.49 10 -4 9 108.21 8.14 10 -4 9 102.74 8.39 10 4 9 102.63 8.77 -10 4 -9 87.22 8.15 10 -4 9 100.70 9.07 10 4 9 93.04 6.73 10 -4 10 13.47 5.78 10 4 10 17.56 2.81 10 -4 10 20.69 4.84 10 -4 10 15.40 5.03 -10 4 -10 22.32 5.14 10 4 10 10.99 6.01 10 -4 10 16.36 6.46 10 4 10 17.59 2.76 10 4 11 74.07 5.29 10 -4 11 84.21 8.34 10 -4 11 89.98 7.18 10 -4 11 73.07 7.41 10 4 11 90.71 8.25 -10 4 -11 88.79 7.46 10 -4 11 73.47 8.80 10 4 11 68.67 5.25 10 -4 12 4.83 5.03 10 -4 12 7.36 4.62 10 4 12 8.12 6.37 -10 4 -12 2.68 4.80 10 -4 12 9.25 6.68 10 -4 12 8.47 5.94 10 -4 13 116.43 9.90 10 -4 13 111.67 9.11 10 -4 13 113.99 9.95 10 -4 13 120.21 10.72 10 -4 13 113.97 10.53 10 4 13 126.78 10.66 10 -4 14 8.29 6.19 10 4 14 3.24 6.61 10 -4 14 7.77 6.95 10 -4 14 4.45 7.24 10 4 15 10.59 6.90 -10 5 19 11.35 5.80 -10 5 19 -6.52 8.67 10 5 -19 0.82 6.24 10 -5 -19 -2.01 7.24 -10 5 18 61.94 7.43 10 -5 -18 69.33 8.67 -10 5 18 64.34 9.98 10 5 -18 67.18 8.03 -10 -5 18 64.18 7.81 10 5 -17 11.79 5.83 -10 -5 17 10.62 6.03 -10 5 17 22.70 5.90 10 5 -17 15.25 6.40 10 -5 -17 15.20 7.23 -10 -5 17 17.60 7.64 -10 5 17 23.03 8.22 -10 -5 17 12.78 6.52 10 5 -16 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10 -5 -10 8.95 2.99 10 -5 -10 3.68 2.81 -10 -5 10 8.29 4.29 -10 5 10 8.33 4.26 -10 -5 10 4.59 5.40 10 5 -10 5.73 2.60 -10 5 10 6.29 5.94 10 -5 -10 10.04 5.86 -10 -5 9 48.10 5.80 10 -5 -9 47.84 4.88 10 5 -9 45.01 5.69 -10 -5 9 41.91 5.41 10 -5 -9 41.00 4.26 -10 5 9 52.48 5.36 -10 -5 9 51.85 6.39 10 5 -9 46.56 4.23 -10 5 9 44.80 7.12 10 -5 -9 49.46 7.02 -10 -5 8 54.75 5.57 10 5 -8 37.11 5.30 10 -5 -8 43.48 4.40 -10 5 8 49.81 5.32 10 -5 -8 45.57 5.13 -10 -5 8 51.72 5.97 10 5 -8 51.03 4.34 -10 5 8 53.89 7.20 10 -5 -8 37.98 6.74 -10 -5 7 7.02 3.97 10 5 -7 6.03 3.95 10 -5 -7 11.10 3.33 -10 5 7 12.92 3.88 -10 -5 7 14.09 4.66 10 5 -7 9.41 3.09 -10 5 7 12.01 5.67 10 -5 -7 13.47 5.89 -10 -5 6 12.04 4.05 -10 -5 6 20.79 4.04 10 -5 -6 8.10 3.29 -10 -5 6 9.86 4.42 10 5 -6 14.89 3.95 10 5 -6 12.51 3.33 -10 5 6 18.76 5.76 10 -5 -6 5.44 5.44 -10 -5 5 97.13 7.03 10 5 -5 78.72 6.70 -10 -5 5 81.09 6.71 10 -5 -5 75.01 6.38 -10 -5 5 72.96 6.93 10 5 -5 86.34 6.45 -10 5 5 85.98 8.08 10 -5 -5 88.40 7.96 10 -5 -4 357.60 20.71 -10 -5 4 329.39 20.81 -10 5 4 294.44 20.71 -10 -5 4 342.13 20.75 10 5 -4 340.20 20.67 10 -5 -4 299.93 21.25 -10 -5 4 346.27 20.85 10 5 -4 318.62 20.76 -10 5 3 203.42 12.71 -10 -5 3 187.77 12.66 10 5 -3 209.04 12.73 10 -5 -3 187.82 12.73 -10 -5 3 170.89 12.70 10 5 -3 180.25 12.63 -10 -5 3 200.61 12.82 10 -5 -2 91.89 7.37 -10 -5 2 103.32 7.48 -10 5 2 100.88 7.46 -10 -5 2 96.79 7.31 10 5 -2 112.84 7.59 10 -5 -2 85.94 7.51 10 5 -2 97.50 7.25 -10 -5 2 91.35 7.38 -10 -5 1 79.91 6.32 10 -5 -1 65.37 6.27 -10 -5 1 85.10 6.38 -10 5 1 64.87 6.41 10 5 -1 74.83 6.10 10 -5 -1 75.60 6.53 -10 -5 1 72.56 5.97 10 5 -1 87.14 6.57 10 -5 -1 66.67 7.32 10 -5 0 7.75 3.94 10 5 0 10.95 3.53 -10 5 0 22.10 3.90 10 -5 0 24.71 3.99 -10 -5 0 18.94 4.06 -10 -5 0 16.31 3.39 10 -5 0 7.87 4.86 10 5 0 15.79 4.12 -10 -5 0 17.58 3.70 10 -5 1 35.07 4.90 10 5 1 30.04 3.98 -10 5 -1 37.76 4.50 10 -5 1 39.09 4.77 -10 -5 -1 29.50 4.60 -10 -5 -1 28.47 3.87 10 -5 1 31.64 5.38 10 5 1 40.18 4.99 -10 -5 -1 32.69 4.13 10 -5 2 90.16 6.86 10 5 2 68.91 5.77 10 -5 2 72.90 6.53 -10 5 -2 63.37 6.32 -10 -5 -2 79.76 5.66 -10 -5 -2 73.38 6.09 10 -5 2 76.82 7.15 10 5 2 86.33 6.90 -10 -5 -2 70.20 6.11 10 -5 3 132.62 8.88 10 -5 3 101.16 8.64 -10 5 -3 115.58 8.45 -10 -5 -3 109.89 7.59 -10 -5 -3 107.32 8.15 10 5 3 139.77 8.94 10 -5 3 127.40 9.32 -10 -5 -3 106.87 7.94 10 5 3 102.73 7.77 -10 5 -4 9.70 4.02 10 -5 4 1.03 4.22 10 5 4 4.73 2.80 -10 -5 -4 8.10 3.04 10 5 4 0.33 4.56 10 -5 4 2.42 5.09 -10 -5 -4 2.60 2.50 -10 -5 -5 93.65 5.91 10 -5 5 82.02 7.71 -10 5 -5 81.95 7.13 -10 -5 -5 82.71 6.11 10 -5 5 98.14 8.20 10 5 5 82.28 6.25 10 -5 6 46.47 5.89 -10 -5 -6 53.62 3.40 -10 5 -6 36.17 5.15 -10 -5 -6 40.57 3.45 10 -5 6 43.01 6.56 10 5 6 43.75 4.04 -10 5 -7 97.56 8.24 10 -5 7 103.02 8.43 10 -5 7 104.41 9.24 10 5 7 104.94 8.73 10 5 7 95.21 6.75 10 -5 8 105.86 9.23 -10 5 -8 103.05 8.69 10 5 8 129.65 9.49 10 -5 8 113.45 8.94 10 -5 8 132.51 9.99 10 5 8 103.13 7.14 10 -5 9 5.24 5.01 10 -5 9 7.30 6.59 10 5 9 1.36 1.83 10 -5 9 1.71 5.23 -10 5 -9 0.66 4.71 10 5 9 1.22 5.28 10 -5 10 6.94 5.03 10 -5 10 -2.51 6.67 10 -5 10 2.67 5.39 10 5 10 3.80 6.14 -10 5 -10 -1.92 5.07 10 -5 11 5.94 5.54 10 -5 11 7.32 7.00 10 -5 11 4.62 5.84 -10 5 -11 2.18 5.26 10 5 11 0.88 6.53 10 -5 12 25.76 8.11 10 -5 12 35.04 6.77 10 5 12 26.54 6.92 10 5 13 8.57 7.35 10 -5 13 9.54 7.87 10 -5 14 12.08 6.80 10 -5 14 7.86 7.96 -10 6 18 5.79 7.85 10 -6 -17 22.22 8.01 -10 6 17 31.88 8.79 -10 6 17 28.29 6.48 10 -6 -16 19.20 7.59 -10 6 16 5.20 8.00 10 6 -16 3.01 6.66 -10 6 16 15.34 6.13 -10 -6 15 24.65 6.45 -10 6 15 9.65 5.79 10 6 -15 14.83 6.73 -10 -6 15 22.10 6.34 -10 6 15 22.64 8.15 10 -6 -15 17.23 7.69 -10 -6 14 18.34 5.73 10 6 -14 2.33 5.96 -10 -6 14 1.17 5.86 10 6 -14 20.49 6.07 -10 6 14 4.07 7.63 10 -6 -14 15.21 7.34 -10 6 14 20.42 5.59 -10 -6 13 22.79 6.28 10 6 -13 35.78 6.45 -10 6 13 31.77 5.98 -10 6 13 32.16 7.94 10 -6 -13 39.79 8.07 10 -6 -12 125.46 8.04 10 -6 -12 134.65 8.15 10 6 -12 112.34 10.01 -10 -6 12 134.91 10.17 -10 6 12 128.99 9.98 10 6 -12 125.99 7.91 -10 -6 12 116.28 10.78 10 6 -12 117.19 8.15 -10 6 12 122.85 11.47 10 -6 -12 103.38 10.84 -10 -6 11 69.72 7.83 10 -6 -11 71.23 5.70 10 6 -11 72.95 7.77 10 6 -11 77.95 7.73 -10 -6 11 74.29 7.60 -10 6 11 77.56 7.53 10 -6 -11 77.38 5.81 -10 -6 11 117.07 8.92 10 6 -11 83.32 5.87 -10 6 11 93.51 9.38 10 -6 -11 66.83 8.77 -10 -6 10 15.80 5.26 10 -6 -10 23.00 3.63 10 -6 -10 12.57 3.17 10 6 -10 21.11 5.43 -10 -6 10 16.26 4.99 -10 6 10 10.90 4.81 -10 -6 10 14.24 6.27 10 6 -10 13.48 3.28 -10 6 10 10.10 6.72 10 -6 -10 17.52 6.69 -10 -6 9 227.36 15.25 10 -6 -9 212.75 14.22 10 6 -9 236.84 15.48 10 -6 -9 238.88 14.38 -10 6 9 234.59 15.10 -10 -6 9 245.93 15.74 10 -6 -9 184.07 14.57 10 6 -9 229.14 14.29 -10 6 9 220.69 16.26 10 -6 -9 228.19 16.27 -10 -6 8 237.84 15.92 10 6 -8 222.96 15.94 10 -6 -8 237.55 15.14 10 -6 -8 252.83 15.24 -10 6 8 233.59 15.73 -10 -6 8 255.84 16.23 10 6 -8 228.57 15.14 -10 6 8 242.20 16.98 10 -6 -8 222.94 16.73 -10 -6 7 94.98 7.76 10 6 -7 88.06 7.62 10 -6 -7 81.98 6.69 -10 -6 7 77.62 7.40 10 -6 -7 80.22 6.81 -10 -6 7 87.94 7.85 10 6 -7 76.35 6.74 -10 6 7 93.78 9.31 10 -6 -7 100.98 9.05 -10 -6 6 73.63 6.91 10 -6 -6 72.84 6.13 10 6 -6 60.64 6.66 10 -6 -6 60.74 6.10 -10 -6 6 74.99 6.68 -10 -6 6 69.55 7.00 10 6 -6 77.09 6.23 -10 6 6 86.80 8.34 10 -6 -6 62.66 7.93 10 -6 -5 211.38 13.17 10 6 -5 198.31 13.48 10 -6 -5 215.82 13.21 -10 -6 5 181.86 13.35 -10 6 5 169.00 13.21 -10 -6 5 191.61 13.54 10 6 -5 208.59 13.23 10 -6 -5 190.08 14.46 -10 -6 5 198.76 13.46 -10 -6 4 101.97 7.67 -10 -6 4 94.73 7.66 10 -6 -4 91.59 7.31 -10 6 4 84.34 7.63 10 6 -4 90.87 7.48 10 -6 -4 95.22 7.53 -10 -6 4 88.02 7.63 10 6 -4 99.22 7.60 10 -6 -4 74.05 8.30 -10 -6 3 94.79 7.37 10 6 -3 77.11 7.19 10 -6 -3 83.63 7.25 -10 -6 3 85.63 7.45 10 -6 -3 87.99 7.28 -10 6 3 86.69 7.42 -10 -6 3 81.44 7.37 10 6 -3 101.22 7.62 10 -6 -3 82.44 8.32 -10 6 2 170.41 11.58 10 -6 -2 162.53 11.54 -10 -6 2 164.48 11.60 10 6 -2 177.63 11.76 10 6 -2 168.26 11.40 10 -6 -2 160.18 11.60 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12.18 3.81 -11 -3 4 8.16 2.44 -11 -3 4 6.12 2.89 11 3 -4 4.41 2.70 11 3 -3 115.80 7.98 -11 -3 3 98.61 7.98 -11 -3 3 114.05 8.16 -11 -3 3 117.52 7.93 11 3 -3 111.39 7.90 11 -3 -3 117.56 8.63 -11 3 3 112.19 8.74 -11 -3 3 121.37 7.97 11 3 -3 128.89 8.09 11 3 -2 53.53 4.85 -11 -3 2 60.92 4.96 11 3 -2 62.42 4.90 -11 3 2 48.20 4.89 -11 -3 2 67.65 4.70 11 3 -2 62.58 4.96 -11 -3 2 60.57 4.95 -11 3 2 56.16 5.82 11 -3 -2 51.96 5.48 11 3 -1 129.44 8.58 11 3 -1 121.17 8.57 11 -3 -1 117.77 8.60 -11 3 1 117.91 8.58 -11 -3 1 123.27 8.60 11 3 -1 133.92 8.71 -11 3 1 120.64 9.35 -11 -3 1 130.76 8.67 11 -3 -1 121.29 9.03 -11 -3 1 131.60 8.23 11 3 0 372.15 24.16 11 3 0 388.35 24.21 -11 3 0 394.83 24.22 11 -3 0 384.50 24.26 -11 -3 0 407.67 24.28 11 3 0 394.97 24.30 -11 3 0 376.98 24.62 11 -3 0 376.61 24.38 -11 -3 0 381.98 24.31 -11 -3 0 416.32 23.84 11 3 1 14.33 3.03 11 3 1 15.59 3.24 11 -3 1 15.30 3.07 -11 -3 -1 14.74 3.35 -11 -3 -1 8.84 2.08 11 3 1 11.44 3.28 -11 3 -1 8.58 3.14 -11 -3 -1 14.32 3.47 11 -3 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169.76 11.33 11 -3 8 170.27 11.18 11 -3 8 150.81 11.05 11 -3 9 8.89 4.83 11 -3 9 1.23 4.38 11 -3 9 9.15 4.48 11 3 9 7.74 3.65 -11 3 -9 8.04 4.53 11 3 9 10.49 5.07 11 -3 9 -2.97 5.02 11 3 9 -1.84 3.38 11 3 10 8.58 3.41 11 -3 10 7.82 5.20 11 -3 10 7.48 4.23 11 3 10 9.49 3.71 11 -3 10 11.80 4.73 -11 3 -10 8.16 4.94 11 3 10 9.46 5.73 11 -3 10 9.22 5.40 11 3 10 2.96 3.48 11 3 11 25.51 3.97 11 -3 11 29.63 5.95 11 3 11 27.23 4.11 11 -3 11 31.64 5.33 11 -3 11 16.94 4.80 -11 3 -11 15.67 5.23 11 3 11 26.50 5.98 11 -3 11 25.08 6.22 11 3 11 18.93 3.87 11 -3 12 20.74 6.03 11 3 12 10.78 3.75 11 3 12 11.84 3.69 11 -3 12 17.07 5.26 11 -3 12 14.09 4.63 11 -3 12 13.37 4.77 11 3 12 3.73 5.74 11 -3 12 6.85 5.65 -11 3 -12 17.23 4.85 11 3 12 11.17 3.66 11 -3 13 2.93 5.35 11 -3 13 4.04 4.51 11 3 13 4.78 6.23 11 -3 13 4.08 6.72 11 -3 13 1.34 6.03 -11 3 -13 6.55 4.78 11 -3 13 -1.91 4.68 11 3 14 131.71 10.60 11 -3 14 99.67 9.43 11 -3 14 103.80 10.29 11 -3 15 33.44 7.26 11 3 15 11.19 6.92 11 3 16 27.60 7.77 11 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9.46 6.10 -11 -4 14 14.52 5.18 -11 4 14 12.84 7.29 11 -4 -13 20.67 2.50 -11 -4 13 36.16 5.11 11 -4 -13 18.90 2.47 11 4 -13 26.87 5.49 -11 4 13 22.28 4.35 11 -4 -13 22.08 3.21 -11 -4 13 24.97 5.17 11 -4 -13 21.23 6.25 -11 4 13 21.65 7.09 11 -4 -12 167.81 10.66 -11 -4 12 179.02 11.87 11 -4 -12 166.81 10.59 -11 4 12 185.10 11.63 11 4 -12 167.86 11.94 11 -4 -12 171.22 12.68 -11 4 12 159.65 13.09 11 -4 -12 162.92 10.84 -11 -4 12 162.60 11.90 -11 -4 11 359.57 25.59 11 -4 -11 403.16 24.84 -11 -4 11 420.37 25.48 11 4 -11 408.89 24.47 -11 4 11 422.79 25.36 11 4 -11 408.31 25.61 -11 -4 11 404.67 25.61 -11 4 11 382.89 26.61 11 -4 -11 405.72 26.10 -11 -4 10 75.88 6.63 -11 4 10 74.12 6.44 11 4 -10 75.37 5.53 -11 -4 10 92.24 7.32 -11 4 10 88.69 8.32 11 -4 -10 67.03 7.58 11 -4 -10 73.90 5.97 -11 -4 9 168.00 10.49 -11 4 9 151.74 10.34 -11 -4 9 153.64 10.80 11 -4 -9 134.77 9.99 11 4 -9 151.28 9.73 -11 4 9 151.62 11.59 11 -4 -9 123.55 11.07 -11 -4 8 2.28 3.81 -11 -4 8 3.44 3.74 -11 4 8 4.00 3.32 11 -4 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8.95 4.77 12 -2 8 0.23 4.25 12 -2 8 -0.34 4.54 12 -2 9 7.28 4.63 12 -2 9 8.76 4.21 12 2 9 20.18 4.63 12 2 9 13.71 4.88 -12 2 -9 15.61 4.70 12 -2 9 11.08 4.59 -12 -2 -9 10.32 4.96 12 -2 9 14.21 4.86 12 -2 10 33.99 5.00 12 -2 10 26.35 5.43 12 2 10 30.26 5.34 -12 2 -10 30.98 5.64 12 2 10 37.26 5.84 12 -2 10 30.42 5.24 12 -2 10 31.71 5.77 12 2 10 40.95 4.95 12 -2 11 17.28 4.89 12 -2 11 1.68 4.76 12 -2 11 9.15 3.92 12 2 11 6.76 4.71 12 2 11 14.18 5.81 -12 2 -11 7.67 5.00 12 -2 11 7.02 4.79 12 2 11 11.85 4.37 12 -2 11 15.97 5.45 12 -2 12 12.88 5.02 12 -2 12 21.52 5.14 12 -2 12 14.16 4.13 12 2 12 14.13 5.06 12 2 12 20.89 6.11 -12 2 -12 16.59 5.14 12 -2 12 22.37 5.32 12 -2 12 24.80 6.31 12 2 12 12.97 4.84 12 -2 13 16.75 5.00 12 -2 13 21.61 6.58 12 2 13 28.98 6.52 -12 2 -13 21.24 5.33 12 -2 13 22.94 5.45 12 2 14 58.59 7.83 12 -2 14 71.78 7.79 12 -2 14 47.51 6.57 12 -2 14 75.49 8.27 12 2 15 20.28 6.59 12 -2 15 21.51 6.16 12 -2 15 23.40 7.07 12 -2 16 101.23 9.99 12 2 16 79.23 9.64 -12 -3 21 13.68 6.58 -12 3 21 -0.68 9.85 12 3 -20 38.97 6.00 -12 -3 20 28.61 5.62 12 3 -20 30.27 7.12 12 -3 -20 25.11 7.71 -12 -3 20 50.97 6.98 -12 3 20 32.20 9.94 -12 -3 19 -6.13 5.45 12 3 -19 5.92 5.28 -12 3 19 2.01 4.24 12 3 -19 8.16 6.09 12 -3 -19 9.51 6.96 -12 -3 19 -3.31 7.59 -12 -3 19 2.90 6.04 -12 3 19 4.62 8.85 -12 -3 18 55.43 6.52 12 3 -18 53.03 6.68 -12 3 18 50.65 5.65 12 3 -18 51.57 7.22 12 -3 -18 62.39 7.99 -12 -3 18 46.16 7.87 -12 -3 18 64.21 7.58 -12 3 18 42.54 9.80 -12 -3 17 10.52 5.11 12 3 -17 13.34 4.62 -12 3 17 22.68 4.39 12 -3 -17 11.55 3.44 12 3 -17 9.85 5.52 -12 -3 17 15.82 6.52 12 -3 -17 18.79 6.66 -12 -3 17 2.33 5.43 -12 3 17 11.89 8.08 -12 -3 16 86.92 7.10 -12 3 16 56.63 6.28 12 -3 -16 67.70 5.64 12 3 -16 69.73 7.49 -12 -3 16 68.95 8.01 12 -3 -16 65.12 8.15 -12 -3 16 71.07 7.22 -12 3 16 59.83 9.38 -12 -3 15 216.21 13.96 -12 3 15 197.99 13.58 12 3 -15 206.88 14.24 12 -3 -15 209.58 13.15 -12 -3 15 205.20 14.19 12 -3 -15 192.20 14.70 -12 3 15 174.24 15.63 -12 -3 15 201.84 14.60 -12 -3 14 75.86 6.99 -12 3 14 69.66 6.45 12 3 -14 78.88 7.25 12 -3 -14 82.61 7.98 -12 -3 14 71.37 7.74 -12 3 14 64.46 8.93 12 -3 -14 85.15 5.99 -12 -3 14 72.69 7.24 12 -3 -13 172.60 10.71 -12 -3 13 194.11 11.78 -12 3 13 160.46 11.20 -12 -3 13 171.59 11.49 12 -3 -13 137.69 10.28 12 3 -13 173.06 11.75 -12 3 13 174.90 13.33 12 -3 -13 159.94 12.29 12 -3 -12 283.30 17.52 12 3 -12 280.71 18.18 -12 -3 12 288.26 18.23 -12 -3 12 302.04 18.01 12 -3 -12 277.71 17.26 12 3 -12 275.78 16.82 -12 3 12 303.39 17.86 -12 3 12 281.95 19.27 12 -3 -12 236.78 18.47 12 3 -11 58.50 5.91 12 3 -11 58.60 4.09 -12 3 11 67.28 5.51 -12 -3 11 60.60 5.69 12 -3 -11 52.52 4.79 -12 -3 11 60.28 6.57 -12 -3 11 63.20 5.88 12 -3 -11 51.41 5.08 12 -3 -11 58.24 7.04 -12 3 11 62.04 7.73 12 3 -10 63.49 5.73 -12 -3 10 61.03 5.74 12 3 -10 63.27 4.49 -12 3 10 67.84 5.54 -12 -3 10 56.17 6.16 12 -3 -10 55.69 6.68 -12 3 10 53.05 7.25 12 -3 -10 64.98 5.25 -12 -3 10 56.46 5.95 12 -3 -9 53.07 4.98 12 3 -9 54.11 5.40 -12 -3 9 62.71 5.26 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399.53 24.07 12 -3 -3 387.72 24.48 -12 3 3 363.76 24.51 -12 -3 3 386.89 23.88 12 3 -2 22.32 3.50 -12 -3 2 25.39 3.47 12 3 -2 18.63 3.32 -12 3 2 16.59 3.24 -12 -3 2 21.84 3.07 12 3 -2 14.19 3.27 -12 -3 2 12.93 3.27 -12 3 2 10.79 4.16 12 -3 -2 19.64 4.21 12 3 -1 19.95 3.31 -12 -3 1 18.24 3.69 12 3 -1 14.63 3.23 12 -3 -1 13.19 3.26 -12 3 1 14.69 3.36 -12 -3 1 17.41 2.79 12 3 -1 17.74 3.19 -12 3 1 12.28 4.19 -12 -3 1 18.03 3.41 12 -3 -1 15.32 3.96 12 3 0 -3.98 3.08 12 3 0 3.67 3.03 12 -3 0 6.61 3.03 -12 -3 0 -3.13 3.39 -12 -3 0 -0.77 2.17 -12 3 0 -1.35 3.08 12 3 0 -0.24 3.13 -12 -3 0 5.04 3.22 -12 3 0 2.74 4.14 12 -3 0 -1.26 3.51 12 3 1 88.51 6.58 12 3 1 90.90 6.76 -12 3 -1 91.74 6.68 12 -3 1 86.01 6.79 -12 -3 -1 90.40 6.88 12 3 1 75.24 6.77 12 -3 1 92.24 7.04 -12 -3 -1 109.38 6.93 -12 -3 -1 74.94 5.76 12 3 2 222.16 13.14 -12 3 -2 199.84 13.22 12 -3 2 228.88 13.36 12 3 2 216.47 13.18 12 3 2 175.65 13.26 12 -3 2 213.74 13.38 -12 -3 -2 187.38 12.30 12 3 3 105.01 7.77 12 -3 3 105.49 7.91 -12 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4.74 -12 -4 12 51.05 6.95 12 -4 -12 60.50 5.02 -12 -4 12 65.37 6.32 -12 4 12 66.43 8.17 12 -4 -12 46.15 6.97 12 4 -11 112.19 8.59 -12 -4 11 108.99 8.37 12 4 -11 108.56 6.91 -12 4 11 93.96 8.06 -12 -4 11 103.60 8.92 12 -4 -11 99.80 7.49 12 -4 -11 117.22 9.69 -12 4 11 85.25 9.77 -12 -4 10 -0.58 3.96 -12 4 10 5.06 4.06 -12 -4 10 -1.19 4.90 12 4 -10 5.42 2.77 12 -4 -10 -0.40 5.36 -12 4 10 14.13 5.94 12 -4 -10 8.33 3.62 -12 -4 9 408.75 24.75 -12 4 9 409.00 24.62 -12 -4 9 404.86 24.87 12 -4 -9 354.41 24.47 12 4 -9 394.87 24.26 -12 4 9 418.56 25.72 12 -4 -9 381.13 25.35 12 4 -8 314.00 19.19 -12 -4 8 316.56 19.27 -12 -4 8 267.52 19.08 -12 4 8 321.41 19.04 -12 -4 8 319.27 19.27 12 -4 -8 299.80 19.11 12 4 -8 282.86 18.66 -12 4 8 309.90 19.98 12 -4 -8 268.39 19.68 -12 4 7 90.12 6.95 12 -4 -7 96.64 7.40 -12 -4 7 89.74 7.32 12 4 -7 87.14 6.45 12 4 -7 86.41 6.98 -12 -4 7 85.85 7.26 12 -4 -7 71.96 8.00 12 4 -6 451.53 27.89 -12 -4 6 450.17 28.16 -12 4 6 479.00 28.19 -12 -4 6 454.93 28.26 12 4 -6 441.18 28.20 -12 -4 5 1.30 3.57 -12 -4 5 10.35 3.60 12 4 -5 3.20 2.88 -12 -4 5 15.10 3.73 12 4 -5 1.80 3.33 -12 -4 4 105.98 7.27 -12 -4 4 106.14 7.08 12 4 -4 87.66 6.97 -12 4 4 69.44 8.12 12 4 -4 88.32 7.02 -12 -4 4 94.51 7.25 -12 -4 3 377.08 22.82 -12 4 3 316.49 22.67 -12 -4 3 401.66 22.92 -12 -4 3 360.56 22.51 12 4 -3 381.57 22.76 -12 4 3 359.94 23.54 12 -4 -3 345.40 23.22 12 4 -3 369.09 22.74 -12 -4 2 104.03 8.24 -12 4 2 124.31 8.39 12 -4 -2 110.84 8.30 -12 -4 2 115.71 8.10 -12 -4 2 114.56 8.45 12 4 -2 120.14 8.37 12 -4 -2 115.62 9.03 -12 4 2 108.92 9.37 12 4 -2 120.53 8.33 12 -4 -1 456.68 29.63 -12 4 1 485.17 29.67 -12 -4 1 480.53 29.61 -12 -4 1 465.75 29.27 12 4 -1 495.29 29.71 -12 4 1 512.85 30.38 12 -4 -1 468.62 29.91 12 4 -1 492.18 29.56 12 4 0 148.46 11.24 12 -4 0 162.96 11.48 -12 4 0 154.55 11.33 -12 -4 0 178.46 11.47 -12 -4 0 184.26 10.94 12 4 0 170.86 11.59 12 -4 0 188.26 11.98 12 4 0 169.84 11.27 12 4 1 781.84 46.79 12 4 1 792.96 46.90 -12 4 -1 750.15 46.90 12 -4 1 808.53 47.05 -12 -4 -1 719.89 46.88 12 4 1 784.84 47.09 12 -4 1 754.11 47.16 -12 -4 -1 773.42 46.42 12 4 2 48.06 4.96 12 -4 2 37.51 5.02 -12 -4 -2 52.85 3.96 -12 -4 -2 55.54 5.21 -12 4 -2 48.70 5.10 12 4 2 54.24 5.55 12 -4 2 41.40 5.69 12 4 2 41.65 4.63 12 4 3 124.40 8.68 12 -4 3 125.48 9.08 -12 4 -3 119.68 8.99 12 4 3 130.05 8.90 12 4 3 107.91 9.22 12 -4 3 118.56 9.42 -12 -4 -3 138.03 7.98 -12 -4 -3 111.40 7.72 12 -4 4 30.42 4.79 12 -4 4 19.75 4.66 12 4 4 28.89 4.38 -12 4 -4 33.84 4.96 12 -4 4 30.04 5.44 12 4 4 31.23 4.14 -12 4 -5 196.83 12.73 12 -4 5 168.68 12.54 12 -4 5 172.53 12.40 12 4 5 180.45 12.04 12 -4 5 188.81 12.80 12 4 5 170.47 11.80 12 -4 6 9.18 4.58 12 -4 6 13.00 4.55 12 -4 6 5.68 4.35 12 4 6 20.80 4.05 -12 4 -6 14.08 4.91 12 4 6 18.50 5.12 12 -4 6 18.03 5.43 12 4 6 17.32 3.58 12 -4 7 195.98 14.23 12 -4 7 202.66 14.09 12 -4 7 214.30 14.16 12 4 7 206.87 13.61 -12 4 -7 198.26 14.18 12 4 7 226.99 14.48 12 -4 7 204.65 14.47 12 4 7 201.04 13.35 12 -4 8 153.57 12.02 12 -4 8 167.06 11.86 12 -4 8 141.07 11.93 12 4 8 169.74 11.26 12 4 8 185.77 12.45 -12 4 -8 169.66 12.05 12 -4 8 195.99 12.49 12 4 8 156.43 10.98 12 -4 9 324.48 23.22 12 -4 9 400.60 23.07 12 4 9 343.62 22.33 12 -4 9 371.40 23.07 12 4 9 365.22 23.41 -12 4 -9 362.13 23.05 12 -4 9 356.95 23.24 12 4 9 346.67 22.13 12 4 10 0.33 3.33 12 -4 10 0.45 6.07 12 -4 10 0.68 4.74 12 -4 10 4.56 5.35 12 4 10 -3.06 3.74 -12 4 -10 3.01 5.04 12 4 10 2.16 5.96 12 -4 10 5.87 6.32 12 4 10 2.67 3.18 12 -4 11 28.77 6.21 -12 4 -11 30.39 5.71 12 4 11 23.34 7.04 12 -4 11 27.84 5.46 12 -4 11 30.45 6.74 12 -4 11 31.19 6.59 12 -4 12 19.43 5.97 12 -4 12 4.03 5.14 -12 4 -12 13.06 5.34 12 4 12 13.56 7.06 12 -4 12 8.09 6.70 12 -4 12 -1.95 6.79 12 -4 13 19.45 6.09 12 4 13 22.86 7.29 12 -4 13 20.88 6.20 12 -4 13 13.68 6.98 -12 5 19 16.89 5.87 -12 5 19 23.73 9.37 12 5 -19 3.75 6.10 12 -5 -18 37.76 8.22 -12 5 18 37.04 6.51 -12 5 18 37.13 9.83 -12 -5 18 52.27 7.07 12 5 -18 43.04 7.10 -12 -5 17 42.45 6.83 12 5 -17 30.12 6.86 -12 5 17 33.15 6.19 -12 -5 17 33.91 8.24 12 -5 -17 40.42 7.97 -12 5 17 26.85 9.37 -12 -5 17 36.24 7.28 -12 -5 16 60.33 6.98 12 5 -16 40.23 7.20 -12 5 16 54.00 6.44 12 5 -16 47.65 7.50 12 -5 -16 45.37 8.31 -12 -5 16 40.79 7.62 -12 5 16 61.17 9.89 -12 -5 16 55.05 7.44 -12 -5 15 14.65 5.91 -12 5 15 11.70 5.17 12 5 -15 36.29 6.37 -12 -5 15 14.04 5.78 12 5 -15 9.73 5.81 -12 5 15 2.93 8.13 12 -5 -15 21.32 7.58 -12 -5 14 16.15 5.85 12 -5 -14 22.36 3.19 12 -5 -14 26.26 2.58 -12 -5 14 24.12 5.75 -12 5 14 26.91 5.64 12 5 -14 12.25 5.43 -12 5 14 37.65 8.30 12 -5 -14 29.51 7.10 -12 -5 13 17.11 5.50 12 -5 -13 17.92 3.23 12 5 -13 28.68 5.71 -12 -5 13 22.76 5.44 12 -5 -13 16.70 2.85 12 -5 -13 20.71 3.05 -12 5 13 23.13 5.32 -12 -5 13 16.47 6.24 -12 5 13 15.49 7.54 12 -5 -13 26.74 6.94 12 -5 -12 9.83 3.23 -12 -5 12 -1.02 4.61 12 -5 -12 1.03 2.73 -12 5 12 5.68 4.70 -12 -5 12 8.71 6.10 12 5 -12 6.73 2.22 -12 5 12 5.90 6.96 12 -5 -12 8.17 6.49 12 -5 -11 1.71 3.43 12 -5 -11 7.07 3.07 -12 -5 11 0.33 4.46 -12 5 11 11.10 4.65 -12 -5 11 11.71 5.43 12 5 -11 2.24 2.84 -12 5 11 -4.15 6.80 12 -5 -11 0.45 6.25 -12 -5 10 8.06 4.72 12 -5 -10 2.48 3.56 12 5 -10 7.45 4.78 -12 -5 10 11.88 4.41 12 -5 -10 6.25 3.00 -12 5 10 3.32 4.19 -12 -5 10 4.26 5.50 12 5 -10 0.18 3.27 -12 5 10 5.51 6.60 12 -5 -10 3.08 5.65 12 -5 -9 54.51 6.27 -12 -5 9 65.75 6.71 12 5 -9 59.30 6.43 -12 -5 9 72.19 6.54 -12 5 9 69.49 6.42 12 -5 -9 71.25 5.59 -12 -5 9 77.01 7.41 12 5 -9 68.87 5.53 -12 5 9 58.81 8.16 12 -5 -9 71.35 7.94 -12 -5 8 316.03 19.76 12 5 -8 294.68 19.72 12 -5 -8 300.50 19.14 -12 5 8 294.79 19.50 12 -5 -8 304.37 19.68 -12 -5 8 313.56 19.81 12 5 -8 305.94 19.08 -12 5 8 321.53 20.67 12 -5 -8 312.51 20.50 12 5 -7 13.37 4.24 12 -5 -7 14.50 6.00 -12 5 7 13.24 4.13 12 -5 -7 22.96 3.96 -12 -5 7 25.14 5.14 12 5 -7 14.91 3.58 -12 5 7 28.26 6.18 -12 -5 7 16.31 4.50 12 5 -6 17.90 4.23 -12 -5 6 23.24 4.49 12 -5 -6 27.96 4.18 -12 -5 6 24.30 4.83 12 5 -6 23.01 3.81 -12 -5 6 22.73 4.47 12 -5 -6 16.57 5.55 -12 -5 5 86.76 7.07 12 -5 -5 69.53 6.66 -12 -5 5 88.49 7.17 12 5 -5 90.10 6.82 12 5 -5 75.41 6.83 -12 -5 5 78.15 6.95 -12 5 4 107.20 9.03 -12 -5 4 123.81 9.14 12 5 -4 126.57 9.01 12 -5 -4 129.15 8.93 -12 -5 4 131.91 9.18 -12 -5 4 130.51 9.29 12 5 -4 118.58 9.08 12 -5 -3 177.78 12.45 -12 -5 3 173.23 12.47 -12 5 3 205.73 12.59 -12 -5 3 186.01 12.37 12 5 -3 188.27 12.48 -12 5 3 181.32 13.77 12 5 -3 173.99 12.39 -12 -5 3 189.92 12.55 12 5 -2 72.73 6.33 -12 -5 2 78.11 6.56 -12 5 2 85.49 6.69 12 -5 -2 76.55 6.64 -12 -5 2 80.72 6.46 12 5 -2 69.74 6.62 -12 -5 2 68.72 6.54 12 -5 -2 79.26 7.49 12 5 -1 6.83 3.54 -12 -5 1 5.09 4.06 -12 5 1 7.78 3.97 12 -5 -1 4.98 4.10 -12 -5 1 4.13 3.56 12 5 -1 4.04 4.08 12 -5 -1 1.75 5.08 -12 -5 1 -0.25 3.96 12 -5 0 5.22 4.71 -12 5 0 5.85 4.13 12 -5 0 2.45 4.10 -12 -5 0 -1.36 3.33 12 5 0 -4.85 4.40 -12 -5 0 4.99 3.77 12 5 0 2.12 3.48 12 -5 0 2.26 4.44 -12 -5 -1 35.04 4.92 -12 5 -1 46.98 5.22 12 -5 1 47.25 5.39 -12 -5 -1 31.76 4.15 12 5 1 53.19 5.63 12 -5 1 33.93 5.80 12 5 1 40.02 4.58 12 -5 1 32.95 5.24 12 -5 2 162.52 12.31 12 -5 2 190.43 12.35 -12 5 -2 177.05 12.06 -12 -5 -2 188.77 12.01 -12 -5 -2 189.24 11.31 12 5 2 165.84 12.38 -12 -5 -2 165.64 11.60 12 -5 2 164.69 12.59 12 5 2 167.75 11.63 12 -5 3 71.48 7.07 12 -5 3 89.65 7.24 -12 -5 -3 72.50 5.62 -12 5 -3 84.67 6.98 12 5 3 75.52 7.31 12 -5 3 88.13 7.85 -12 -5 -3 74.81 5.96 12 -5 3 79.98 7.23 12 5 3 78.60 6.26 -12 -5 -4 81.22 5.10 12 -5 4 77.06 6.78 12 -5 4 48.62 6.91 -12 5 -4 62.97 6.62 12 5 4 77.87 7.33 12 -5 4 83.94 7.80 -12 -5 -4 66.55 5.29 12 5 4 69.94 5.84 12 -5 5 7.85 4.57 -12 -5 -5 4.83 1.53 -12 -5 -5 17.77 1.27 -12 5 -5 7.51 4.50 12 -5 5 11.98 6.04 12 5 5 7.26 3.31 12 -5 6 14.38 5.14 12 -5 6 15.21 5.20 -12 5 -6 12.51 4.98 12 -5 6 22.57 6.17 12 5 6 10.27 3.25 12 -5 7 68.02 7.17 -12 5 -7 67.12 7.12 12 5 7 65.02 7.55 12 -5 7 67.06 7.01 12 -5 7 71.76 8.13 12 5 7 64.30 5.40 12 -5 7 66.04 7.24 12 -5 8 52.58 6.71 12 5 8 54.77 6.91 -12 5 -8 47.91 6.38 12 -5 8 60.86 6.67 12 -5 8 66.40 7.95 12 5 8 48.98 4.66 12 -5 8 46.66 6.69 12 -5 9 30.94 6.25 12 5 9 38.75 6.64 -12 5 -9 23.09 5.62 12 -5 9 29.91 5.84 12 -5 9 39.30 7.45 12 -5 9 40.24 6.63 12 -5 10 38.34 6.60 12 5 10 38.44 7.37 -12 5 -10 30.14 5.95 12 -5 10 45.26 5.94 12 -5 10 30.58 7.67 12 -5 10 33.25 6.98 12 -5 11 3.00 6.05 12 -5 11 2.76 5.11 12 -5 11 14.33 7.37 12 -5 11 12.03 6.48 12 5 11 5.76 6.71 12 -5 12 114.29 11.09 -12 6 18 27.86 9.54 -12 6 17 24.67 9.90 12 -6 -17 43.11 9.10 12 6 -16 49.88 7.56 -12 6 16 32.16 9.14 12 -6 -16 34.97 8.61 -12 6 16 47.11 6.74 -12 -6 15 81.33 8.90 -12 6 15 88.48 8.36 12 6 -15 90.18 8.86 -12 -6 15 69.42 8.48 -12 6 15 58.12 10.41 12 -6 -15 101.53 10.37 12 6 -14 -4.21 6.38 -12 -6 14 7.61 6.07 12 6 -14 14.84 6.15 -12 -6 14 12.72 7.29 -12 6 14 1.49 5.97 -12 6 14 7.51 8.49 12 -6 -14 1.50 7.50 12 6 -13 15.13 5.80 -12 -6 13 7.40 5.64 -12 6 13 12.40 5.35 -12 -6 13 22.95 6.83 -12 6 13 8.52 7.86 12 -6 -13 28.18 7.67 -12 -6 12 23.37 5.69 12 -6 -12 20.46 3.52 12 -6 -12 17.50 3.43 -12 -6 12 18.17 5.68 -12 6 12 25.67 5.58 -12 -6 12 32.33 6.78 12 6 -12 21.84 3.47 -12 6 12 32.38 8.39 12 -6 -12 15.02 7.10 -12 -6 11 165.43 12.08 12 -6 -11 149.89 10.62 12 6 -11 150.24 12.09 -12 -6 11 154.70 11.89 12 -6 -11 147.89 10.66 -12 6 11 157.32 11.70 12 -6 -11 178.52 10.99 -12 -6 11 171.87 12.68 12 6 -11 155.19 10.74 -12 6 11 189.37 13.97 12 -6 -11 197.73 13.50 -12 -6 10 34.20 5.93 12 -6 -10 42.72 5.04 12 -6 -10 43.04 4.54 12 6 -10 31.77 5.76 12 -6 -10 33.88 4.46 -12 6 10 44.02 5.86 -12 -6 10 37.49 6.75 12 6 -10 37.32 4.52 -12 6 10 31.23 7.67 12 -6 -10 35.90 7.64 -12 -6 9 131.11 10.08 12 -6 -9 128.85 8.98 12 6 -9 142.47 10.03 12 -6 -9 117.34 9.01 -12 6 9 119.59 9.70 -12 -6 9 141.12 10.44 12 -6 -9 121.28 9.48 12 6 -9 124.37 8.90 -12 6 9 119.82 11.48 12 -6 -9 108.00 11.30 -12 -6 8 264.34 17.14 12 -6 -8 258.12 16.49 12 6 -8 240.99 17.03 -12 -6 8 234.30 16.82 12 -6 -8 251.88 16.34 -12 6 8 266.74 16.84 12 -6 -8 245.46 16.99 -12 -6 8 275.21 17.36 12 6 -8 268.40 16.36 -12 6 8 244.42 18.15 12 -6 -8 246.67 18.03 -12 -6 7 259.08 16.93 12 -6 -7 259.18 16.42 -12 -6 7 253.34 16.92 -12 -6 7 256.41 17.05 12 -6 -7 259.97 16.56 12 6 -7 247.77 16.91 12 6 -7 260.59 16.45 -12 6 7 210.92 17.97 12 -6 -7 253.46 18.13 12 -6 -6 641.55 38.92 12 6 -6 599.20 39.11 12 -6 -6 607.57 38.80 -12 -6 6 605.83 39.12 -12 -6 6 668.51 39.20 12 6 -6 670.09 38.85 12 -6 -6 643.53 39.85 -12 6 6 622.20 40.02 -12 -6 6 646.05 39.19 12 -6 -5 261.63 17.28 12 6 -5 256.97 17.44 12 -6 -5 258.24 17.23 -12 -6 5 276.68 17.52 -12 6 5 230.14 17.28 -12 -6 5 277.34 17.55 12 6 -5 269.55 17.15 -12 6 5 288.38 19.08 12 -6 -5 267.83 18.53 -12 -6 5 279.88 17.48 -12 -6 4 121.32 9.30 12 -6 -4 120.18 9.12 -12 6 4 134.16 9.28 -12 -6 4 120.75 9.39 12 6 -4 114.70 9.14 12 6 -4 105.25 9.21 12 -6 -4 128.54 9.25 -12 -6 4 118.26 9.29 12 -6 -3 130.96 9.60 -12 -6 3 128.02 9.68 -12 6 3 128.77 9.62 -12 -6 3 114.63 9.37 12 6 -3 140.92 9.83 12 6 -3 120.13 9.48 -12 -6 3 121.01 9.62 12 -6 -3 123.30 9.69 12 6 -2 67.43 6.90 12 -6 -2 92.29 7.83 12 -6 -2 73.50 7.27 -12 -6 2 84.86 7.49 -12 6 2 87.57 7.43 -12 -6 2 85.69 7.22 12 6 -2 97.16 7.65 -12 -6 2 95.12 7.45 12 -6 -1 354.47 21.76 12 -6 -1 351.16 21.61 -12 -6 1 342.31 21.52 -12 6 1 319.28 21.54 -12 -6 1 329.06 21.41 -12 -6 1 339.88 21.15 12 6 -1 353.46 21.68 12 -6 -1 306.37 22.13 12 6 -1 324.37 21.27 -12 -6 0 101.00 7.68 12 6 0 92.37 7.42 12 -6 0 86.07 8.13 -12 -6 0 87.07 7.83 12 -6 0 96.07 8.01 -12 6 0 95.44 8.03 -12 -6 0 97.20 7.38 12 6 0 96.66 8.26 12 -6 0 92.09 8.90 12 -6 1 271.32 18.40 12 -6 1 298.87 18.47 -12 6 -1 273.24 18.17 -12 -6 -1 276.33 17.62 -12 -6 -1 278.18 17.99 12 6 1 312.99 18.54 12 -6 1 279.15 18.68 12 6 1 253.34 17.74 12 -6 2 56.73 6.39 -12 -6 -2 52.10 4.98 -12 -6 -2 53.32 5.69 -12 6 -2 45.68 5.79 12 6 2 43.55 6.29 -12 -6 -2 54.00 5.67 12 -6 2 49.29 6.93 12 -6 2 42.94 6.34 12 6 2 45.58 5.04 12 -6 3 27.12 5.43 -12 6 -3 30.24 5.27 12 -6 3 32.22 5.59 12 6 3 18.38 4.02 12 -6 3 24.37 6.71 12 6 3 29.05 5.74 -12 -6 -3 22.82 4.35 -12 -6 -3 38.94 4.88 -12 -6 -3 19.83 3.86 -12 -6 -4 65.92 5.01 12 -6 4 44.89 6.81 12 6 4 60.34 5.41 -12 6 -4 57.41 6.59 12 6 4 65.09 7.44 -12 -6 -4 63.76 5.49 12 -6 4 53.92 7.90 12 -6 4 61.15 6.92 -12 -6 -5 30.78 3.57 -12 6 -5 45.93 5.96 12 6 5 44.58 6.75 12 6 5 35.00 4.24 12 -6 5 44.37 6.33 12 -6 5 30.13 7.12 -12 -6 -5 42.06 4.03 12 -6 6 21.05 7.13 -12 6 -6 28.24 5.70 12 6 6 20.85 3.52 12 -6 6 26.18 6.23 -12 6 -7 38.42 6.11 12 6 7 40.15 6.79 12 -6 7 38.54 6.53 12 -6 7 33.62 7.59 12 6 8 43.73 7.13 -12 6 -8 34.98 5.88 12 -6 8 44.06 8.02 12 -6 8 27.34 6.44 12 -6 9 31.04 8.24 12 -6 9 49.23 7.25 -12 6 -9 39.71 6.42 12 6 9 38.21 7.20 12 -6 10 -3.37 8.02 12 -6 11 31.49 8.66 -12 7 15 12.19 9.57 -12 7 14 72.80 10.69 12 -7 -14 86.58 10.41 -12 -7 13 27.15 7.26 12 7 -13 26.81 6.62 -12 -7 13 51.29 7.91 -12 7 13 40.85 9.32 12 -7 -13 33.75 8.34 -12 -7 12 9.63 5.92 12 7 -12 8.67 6.06 -12 7 12 3.61 5.46 12 7 -12 2.37 5.80 -12 -7 12 3.07 7.05 -12 7 12 10.69 8.40 12 -7 -12 2.20 7.74 -12 -7 11 25.54 6.51 12 7 -11 26.36 6.30 12 7 -11 20.99 6.18 -12 7 11 33.31 6.05 -12 -7 11 23.66 7.23 -12 7 11 26.43 8.75 12 -7 -11 26.18 8.22 12 -7 -10 70.93 5.61 12 7 -10 55.28 7.39 12 -7 -10 54.77 8.90 -12 7 10 69.89 6.95 -12 -7 10 56.31 8.15 12 7 -10 58.58 5.72 -12 7 10 51.69 9.41 -12 -7 10 54.54 7.47 12 -7 -10 54.76 6.07 -12 -7 9 25.17 6.06 12 -7 -9 33.16 4.68 12 7 -9 13.77 5.90 -12 -7 9 28.24 5.96 -12 7 9 23.67 5.18 -12 -7 9 32.57 6.71 12 -7 -9 29.04 5.38 12 7 -9 26.07 4.69 -12 7 9 29.28 8.13 12 -7 -9 31.94 8.55 -12 -7 8 7.40 5.66 12 -7 -8 1.73 3.91 12 7 -8 7.99 5.32 -12 -7 8 -0.38 5.07 12 -7 -8 -4.11 4.22 -12 7 8 -1.11 5.35 -12 -7 8 10.37 6.15 12 7 -8 2.71 4.27 -12 7 8 5.69 7.35 12 -7 -8 -3.79 7.48 12 -7 -7 3.75 4.36 12 7 -7 9.95 5.32 12 -7 -7 5.96 4.05 -12 -7 7 16.86 5.49 -12 -7 7 9.17 6.12 12 7 -7 7.66 4.41 -12 -7 7 10.81 5.52 12 -7 -7 7.95 7.56 12 -7 -6 73.90 6.45 12 7 -6 59.48 6.91 -12 -7 6 58.77 7.03 12 -7 -6 64.01 6.30 -12 7 6 53.16 6.94 -12 -7 6 72.39 7.56 12 7 -6 68.57 6.34 -12 -7 6 71.54 7.23 12 -7 -6 66.16 8.64 12 -7 -5 37.77 5.54 12 7 -5 28.86 5.60 12 -7 -5 32.45 5.19 -12 -7 5 41.26 6.16 -12 7 5 35.06 5.59 -12 -7 5 42.99 6.29 12 7 -5 33.85 5.67 12 -7 -5 36.70 7.63 -12 -7 5 40.20 6.00 -12 -7 4 1.32 5.22 12 -7 -4 -4.33 4.28 -12 -7 4 -3.09 4.98 -12 7 4 -1.73 4.77 12 -7 -4 -0.98 4.83 12 7 -4 7.08 4.91 -12 -7 4 -0.91 5.37 12 7 -4 4.49 5.26 12 -7 -4 -0.94 6.16 -12 -7 3 5.75 4.93 12 -7 -3 9.47 4.70 -12 7 3 12.67 4.72 12 -7 -3 9.98 5.01 12 7 -3 11.61 4.99 -12 -7 3 16.32 5.22 12 7 -3 4.73 5.31 -12 -7 3 16.86 4.84 12 -7 -2 22.29 5.39 -12 -7 2 12.95 5.22 -12 7 2 10.89 5.09 12 -7 -2 5.80 5.20 12 7 -2 8.92 4.59 -12 -7 2 25.06 5.20 12 7 -2 10.65 5.24 -12 -7 2 19.44 5.04 12 -7 -1 38.40 5.80 -12 -7 1 31.27 5.92 -12 7 1 29.18 5.64 12 -7 -1 41.86 6.23 12 7 -1 35.38 5.13 -12 -7 1 31.91 5.47 12 7 -1 37.19 6.28 -12 -7 1 29.66 5.23 -12 -7 0 0.29 4.53 12 -7 0 -3.37 5.18 -12 -7 0 11.84 4.94 -12 7 0 4.75 5.23 12 7 0 1.94 4.12 12 -7 0 12.32 5.93 -12 -7 0 1.18 4.51 12 7 0 2.32 5.44 12 -7 0 -0.45 5.98 12 7 1 33.65 5.03 12 -7 1 34.40 6.28 -12 7 -1 36.46 6.28 12 -7 1 37.71 6.30 -12 -7 -1 36.04 5.60 12 7 1 38.62 6.71 12 -7 1 38.84 7.11 -12 -7 -1 30.30 5.98 -12 -7 -1 35.03 5.33 12 7 2 19.97 4.13 12 -7 2 21.54 5.94 -12 7 -2 21.41 5.59 12 -7 2 15.31 5.52 -12 -7 -2 20.53 4.50 -12 -7 -2 16.83 5.37 12 -7 2 16.19 7.21 12 7 2 12.52 5.86 -12 -7 -2 18.98 4.89 12 -7 3 9.98 5.60 -12 -7 -3 11.09 4.07 -12 -7 -3 14.00 4.72 -12 7 -3 11.52 5.41 -12 -7 -3 5.19 4.81 12 -7 3 12.19 7.08 12 7 3 3.89 5.92 12 7 3 6.31 4.09 12 -7 3 18.77 6.25 12 -7 4 144.99 11.98 -12 7 -4 164.13 11.62 12 -7 4 143.51 12.37 12 7 4 149.37 10.64 12 7 4 167.74 12.44 12 -7 4 161.57 12.99 -12 -7 -4 167.42 10.60 12 -7 5 83.33 9.07 12 7 5 108.09 9.61 12 -7 5 104.05 10.39 12 -7 5 83.46 9.06 -12 7 -5 94.37 8.58 12 7 6 16.13 6.81 -12 7 -6 3.57 5.31 12 -7 6 11.39 6.50 12 -7 6 9.94 7.47 -12 7 -7 20.39 5.46 12 -7 7 0.51 6.58 12 -7 7 6.08 8.04 -12 7 -8 8.75 5.48 -12 -8 10 21.91 7.27 -12 -8 10 21.77 7.96 12 8 -9 20.77 6.70 -12 -8 9 24.34 7.82 12 8 -9 14.18 6.01 -12 -8 9 13.44 6.70 12 -8 -9 4.88 8.90 12 -8 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58.50 6.49 15 6 -6 50.62 6.26 -15 -6 5 0.70 5.05 -15 6 5 8.60 4.79 15 -6 -5 21.27 5.18 -15 -6 5 15.96 5.44 15 6 -5 20.74 5.17 -15 -6 5 12.95 5.10 15 6 -5 10.13 4.86 15 6 -4 29.56 5.27 -15 -6 4 36.73 6.00 15 -6 -4 39.19 5.78 -15 6 4 43.83 5.54 -15 -6 4 35.62 5.55 15 6 -4 44.82 6.05 -15 -6 4 35.10 5.91 15 -6 -4 32.32 7.73 15 6 -3 60.50 5.86 -15 -6 3 58.89 6.65 15 -6 -3 53.23 6.74 -15 6 3 51.17 6.32 -15 -6 3 55.48 6.02 15 6 -3 46.57 6.69 -15 -6 3 49.03 6.31 15 -6 -3 39.30 7.67 15 -6 -2 7.07 6.35 -15 6 2 5.96 4.99 15 -6 -2 6.35 5.07 -15 -6 2 1.85 4.42 15 6 -2 6.06 5.18 -15 -6 2 5.64 4.95 15 -6 -2 19.08 5.53 15 6 -2 3.54 4.61 15 -6 -1 40.58 6.09 15 6 -1 18.75 4.80 15 -6 -1 26.77 6.07 -15 6 1 25.98 5.46 -15 -6 1 26.18 4.88 15 6 -1 25.05 5.85 -15 -6 1 29.62 5.38 15 -6 -1 23.53 6.38 15 -6 0 4.41 5.26 -15 6 0 -2.12 5.12 15 6 0 4.69 5.69 15 6 0 3.03 4.36 15 -6 0 2.11 5.80 15 -6 0 1.31 5.87 -15 -6 0 -1.74 4.00 -15 -6 0 4.36 4.87 -15 -6 -1 36.40 4.52 -15 -6 -1 32.92 5.90 15 -6 1 52.02 6.57 15 6 1 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26.51 7.32 27 3 -6 23.54 6.50 27 -3 -6 26.34 7.34 -27 3 6 22.23 7.94 -27 -3 6 35.55 7.78 27 -3 -6 30.26 7.45 -27 -3 6 27.19 7.08 27 3 -5 19.03 6.76 -27 3 5 -3.83 7.82 -27 -3 5 -5.12 7.08 27 -3 -5 -4.03 6.93 27 3 -5 3.83 6.39 27 3 -4 6.33 6.74 -27 3 4 4.75 7.74 27 -3 -4 5.90 6.77 27 3 -4 1.75 5.99 -27 3 3 17.35 8.07 27 -3 -3 19.59 6.90 27 3 -3 15.04 7.03 27 -3 -2 36.42 7.51 -27 3 2 40.82 8.31 27 -3 -1 -3.31 6.85 27 -4 -13 5.52 7.03 -27 -4 12 28.04 8.82 -27 -4 11 34.00 8.57 27 4 -11 10.90 6.33 27 4 -10 36.39 6.25 -27 -4 10 22.79 6.73 -27 -4 10 32.77 8.18 -27 -4 9 37.04 7.63 -27 -4 9 75.12 8.75 27 4 -9 63.55 7.70 -27 -4 8 5.07 6.48 -27 -4 8 -7.26 7.21 27 4 -8 7.22 6.18 -27 -4 7 42.82 7.89 -27 4 7 74.73 10.41 -27 -4 7 68.56 8.41 27 4 -7 72.03 8.03 -27 4 6 3.25 8.16 27 4 -6 -0.43 5.81 -27 4 5 3.76 8.46 27 4 -5 -9.98 7.49 -27 4 4 24.94 8.75 27 -4 -4 26.13 7.89 27 -4 -3 32.47 8.20 27 -4 -2 14.58 7.85 27 -4 -1 5.26 7.53 -27 -5 10 -4.08 7.97 27 5 -9 27.25 6.66 -27 -5 9 22.89 6.96 27 5 -8 2.52 6.09 27 5 -7 5.80 6.76 28 0 -16 9.12 7.17 28 0 -15 4.39 6.57 28 0 -14 36.30 7.57 28 0 -14 41.06 6.91 -28 0 14 37.36 7.47 28 0 -13 4.26 6.10 -28 0 13 -3.08 6.61 28 0 -13 -3.02 6.88 -28 0 13 -6.65 8.52 28 0 -12 3.02 6.04 28 0 -12 6.32 7.37 -28 0 12 0.89 6.59 28 0 -12 2.55 6.87 -28 0 12 0.53 8.35 28 0 -11 -1.75 5.93 28 0 -11 -0.92 7.46 -28 0 11 7.19 6.50 28 0 -11 -0.52 6.84 -28 0 11 4.02 7.71 28 0 -10 98.38 9.73 28 0 -10 107.30 10.47 -28 0 10 110.77 10.24 28 0 -10 102.57 10.26 -28 0 10 101.70 10.73 28 0 -9 -0.44 6.39 28 0 -9 0.42 7.12 -28 0 9 7.33 6.54 28 0 -9 3.64 6.87 -28 0 9 0.45 7.28 28 0 -8 42.80 7.13 28 0 -8 37.31 7.67 -28 0 8 41.15 7.59 28 0 -8 55.55 7.83 -28 0 8 42.72 8.04 28 0 -7 -8.42 6.28 28 0 -7 8.15 6.37 -28 0 7 5.60 6.16 28 0 -7 -2.57 6.65 -28 0 7 -3.66 6.76 28 0 -6 37.33 7.11 28 0 -6 50.34 6.84 -28 0 6 32.08 7.07 28 0 -6 21.89 6.96 -28 0 6 27.63 6.85 -28 0 5 1.86 6.51 28 0 -5 11.20 6.35 28 0 -5 -3.95 6.02 -28 0 4 26.27 6.93 28 0 -4 33.10 6.96 28 0 -4 25.03 6.27 -28 0 3 -8.06 6.28 28 -1 -16 6.97 6.81 28 -1 -15 -6.64 6.59 -28 1 15 -5.97 7.00 28 -1 -14 31.95 7.62 28 1 -14 46.96 7.25 28 -1 -14 55.69 7.75 -28 -1 14 41.16 6.74 -28 1 14 37.61 7.72 28 -1 -13 8.31 6.44 28 1 -13 -7.64 5.69 -28 -1 13 -0.44 6.66 -28 1 13 2.79 6.44 28 -1 -13 -3.44 6.89 28 1 -13 4.67 7.11 -28 -1 13 0.55 8.64 28 -1 -12 51.52 7.42 28 1 -12 48.86 7.14 28 1 -12 35.43 9.10 -28 -1 12 55.45 7.80 -28 1 12 31.37 7.22 28 -1 -12 38.10 7.99 28 1 -12 56.81 8.34 -28 -1 12 44.16 9.36 -28 1 12 57.46 9.26 28 -1 -11 4.20 6.33 28 1 -11 15.57 6.12 28 -1 -11 1.40 7.91 28 1 -11 8.14 7.89 -28 -1 11 11.09 6.74 -28 1 11 12.62 6.68 28 -1 -11 12.58 6.97 28 1 -11 15.39 6.93 -28 -1 11 27.48 8.39 -28 1 11 19.11 8.12 28 1 -10 55.31 7.09 28 -1 -10 49.10 7.49 28 1 -10 54.59 8.52 28 -1 -10 54.79 8.68 -28 -1 10 49.17 7.82 -28 1 10 49.35 7.71 28 1 -10 49.27 7.88 28 -1 -10 55.88 8.34 -28 -1 10 54.64 8.93 -28 1 10 42.44 8.84 28 1 -9 10.40 6.26 28 -1 -9 12.36 6.60 28 1 -9 3.83 7.15 28 -1 -9 13.85 7.12 -28 -1 9 1.42 6.86 -28 1 9 0.94 6.43 28 1 -9 15.59 7.01 28 -1 -9 21.57 7.34 -28 -1 9 8.18 7.58 -28 1 9 5.56 7.29 28 1 -8 -1.68 6.01 28 -1 -8 -4.75 6.35 28 1 -8 4.79 7.01 28 -1 -8 11.52 6.89 -28 -1 8 7.69 6.92 -28 1 8 -0.94 6.67 28 1 -8 3.77 6.56 28 -1 -8 0.50 6.95 -28 -1 8 6.42 7.05 -28 1 8 -4.46 7.31 28 -1 -7 3.79 6.53 28 1 -7 -4.67 6.09 28 1 -7 -7.86 6.32 28 -1 -7 -3.01 6.74 -28 1 7 1.89 6.23 -28 -1 7 1.94 6.56 28 1 -7 -2.70 7.11 28 -1 -7 4.50 6.68 -28 1 7 4.31 7.08 -28 -1 7 -3.99 6.91 28 -1 -6 5.22 6.34 28 1 -6 7.30 6.61 28 1 -6 23.11 6.48 28 -1 -6 6.08 6.52 -28 -1 6 14.21 7.24 -28 1 6 13.32 7.12 -28 -1 6 1.86 6.52 28 1 -5 9.18 5.89 28 -1 -5 6.79 6.08 28 -1 -5 8.10 6.40 28 1 -5 10.40 6.36 -28 1 5 6.03 6.70 -28 -1 5 -2.80 6.13 28 1 -4 135.70 10.83 28 -1 -4 126.28 11.00 28 -1 -4 145.24 11.70 28 1 -4 139.39 11.27 28 1 -4 146.15 12.05 -28 -1 4 151.63 11.13 -28 1 4 125.75 11.28 28 -1 -3 -8.25 5.81 -28 1 3 -3.01 6.66 28 -2 -15 28.95 7.14 28 -2 -14 111.08 10.46 28 -2 -13 1.94 6.60 -28 -2 13 4.00 6.11 -28 -2 13 -2.70 8.73 28 2 -13 12.86 5.70 28 -2 -13 5.44 7.05 28 -2 -12 22.56 7.36 28 -2 -12 18.67 7.50 28 2 -12 22.37 6.40 -28 -2 12 26.38 6.84 -28 -2 12 28.61 8.53 28 -2 -11 12.77 6.69 28 2 -11 2.45 7.53 28 -2 -11 13.76 6.97 28 2 -11 -7.44 5.98 -28 -2 11 7.64 6.64 -28 -2 11 7.03 8.07 -28 2 11 11.04 8.34 28 -2 -10 10.39 6.92 28 2 -10 9.24 7.43 28 -2 -10 5.61 6.48 28 2 -10 4.78 5.97 -28 -2 10 10.27 6.88 -28 -2 10 9.64 7.73 -28 2 10 13.71 7.80 28 -2 -9 15.92 7.13 28 2 -9 26.50 7.47 28 2 -9 25.44 6.30 28 -2 -9 26.11 7.24 -28 2 9 23.59 8.40 -28 -2 9 33.49 7.97 -28 -2 9 18.81 7.64 28 -2 -8 10.33 6.97 28 2 -8 19.52 7.01 28 -2 -8 4.64 6.62 28 2 -8 11.03 6.16 -28 -2 8 16.26 7.03 -28 2 8 28.15 8.01 -28 -2 8 20.50 7.36 28 -2 -7 13.49 6.94 28 2 -7 21.59 6.75 28 -2 -7 10.39 6.83 28 2 -7 12.34 6.15 -28 -2 7 21.69 7.23 -28 2 7 18.06 7.64 -28 -2 7 25.38 7.09 28 2 -6 6.64 6.33 28 -2 -6 16.44 6.89 28 2 -6 14.61 6.59 28 -2 -6 13.53 6.79 -28 2 6 6.30 7.41 -28 -2 6 2.62 7.10 -28 -2 6 -0.74 6.49 -28 2 5 13.56 7.38 28 -2 -5 0.74 6.51 28 2 -5 -0.43 6.35 -28 2 4 26.38 7.67 28 -2 -4 17.73 6.81 28 2 -4 25.79 6.85 28 -2 -3 25.25 6.41 -28 2 3 22.59 7.50 28 -2 -2 20.71 6.48 -28 2 2 15.81 7.63 28 -3 -14 -4.72 6.72 28 -3 -13 4.30 6.98 28 -3 -12 23.22 7.54 -28 -3 12 39.44 8.83 28 3 -12 26.85 6.41 28 -3 -11 36.58 7.94 28 3 -11 40.65 6.88 -28 -3 11 46.12 8.75 -28 -3 11 41.53 7.26 28 3 -10 39.03 6.97 -28 -3 10 59.01 8.78 -28 -3 10 48.82 7.79 28 3 -9 -1.58 5.92 -28 -3 9 5.88 7.33 -28 3 9 6.36 8.44 -28 -3 9 3.72 6.31 28 3 -8 3.63 6.32 -28 -3 8 3.87 7.27 -28 3 8 0.52 8.28 -28 -3 8 4.38 7.25 28 3 -7 24.84 6.63 -28 -3 7 35.88 7.76 -28 3 7 15.04 7.96 -28 -3 7 38.72 7.76 28 -3 -7 23.77 7.96 -28 3 6 11.85 8.00 28 -3 -6 3.36 7.21 28 3 -6 8.94 6.60 -28 3 5 27.88 8.23 28 -3 -5 31.02 7.70 28 3 -5 24.14 7.12 28 -3 -4 6.37 6.80 -28 3 4 -7.75 8.08 28 -3 -3 15.98 7.20 -28 3 3 20.50 8.32 28 -3 -2 0.38 6.71 -28 -4 11 26.63 8.62 28 4 -10 -2.32 6.39 -28 -4 10 -0.46 7.83 -28 -4 10 4.82 6.55 28 4 -9 11.59 6.26 -28 -4 9 -3.95 6.77 -28 -4 9 7.04 7.54 28 4 -8 26.86 6.57 28 4 -7 16.25 6.43 -28 4 4 1.08 8.51 -29 0 14 17.04 6.96 29 0 -14 26.06 6.99 -29 0 13 4.09 6.96 29 0 -13 2.24 6.29 -29 0 12 11.04 7.07 -29 0 12 14.99 8.46 29 0 -12 9.04 6.06 -29 0 11 6.49 6.86 29 0 -11 -1.37 6.39 -29 0 11 4.08 8.12 -29 0 10 3.28 6.59 29 0 -10 2.28 6.39 -29 0 10 2.90 7.90 29 0 -10 -10.52 7.71 29 0 -9 3.64 6.27 -29 0 9 2.29 7.56 29 0 -9 8.72 7.17 29 0 -8 63.42 8.14 -29 0 8 65.03 8.72 29 0 -8 52.28 8.16 29 0 -7 -3.66 6.72 -29 0 7 2.50 6.73 29 0 -7 -2.97 6.53 29 0 -6 6.42 6.39 -29 0 6 3.59 6.93 29 0 -6 0.70 6.51 29 0 -5 -3.30 6.00 -29 0 5 -1.52 6.64 29 -1 -14 54.55 7.96 -29 -1 13 10.09 7.04 29 -1 -13 0.49 6.60 29 1 -13 -12.66 6.83 -29 -1 12 65.09 8.38 29 -1 -12 50.06 8.12 29 1 -12 53.17 7.83 -29 -1 12 38.75 9.74 -29 -1 11 9.99 6.92 29 1 -11 9.11 8.08 29 -1 -11 9.74 6.62 29 1 -11 4.26 6.04 -29 -1 11 9.84 8.38 -29 1 11 7.16 8.20 -29 -1 10 -1.93 6.97 29 -1 -10 3.11 7.29 29 1 -10 0.45 7.40 29 1 -10 0.43 6.14 29 -1 -10 -1.47 6.83 -29 -1 10 1.46 7.80 -29 1 10 -4.42 8.04 -29 -1 9 7.32 7.15 29 1 -9 13.36 6.58 29 -1 -9 23.64 7.05 -29 -1 9 9.22 7.75 -29 1 9 8.53 7.73 29 1 -9 17.49 7.60 29 -1 -9 18.17 7.37 29 1 -8 10.84 6.42 29 -1 -8 10.81 6.70 -29 1 8 14.16 7.74 -29 -1 8 3.03 7.34 29 1 -8 6.03 7.05 29 -1 -8 -1.20 6.94 29 1 -7 15.80 6.28 -29 1 7 16.33 7.59 -29 -1 7 -0.40 7.00 29 1 -7 13.96 6.61 29 -1 -7 1.53 6.65 29 1 -6 3.99 6.47 -29 1 6 0.43 7.02 -29 -1 6 2.65 6.72 29 1 -6 -0.71 6.73 29 -1 -6 1.81 6.24 -29 1 5 2.05 6.87 29 -1 -5 9.30 6.21 -29 1 4 -5.94 7.01 29 -1 -4 2.61 5.92 29 2 -12 141.69 11.50 -29 -2 12 157.78 12.11 -29 -2 12 127.00 13.45 29 2 -11 -3.26 6.12 -29 -2 11 0.99 7.05 -29 -2 11 5.69 8.28 29 2 -11 -2.43 7.92 29 2 -10 16.06 6.51 -29 -2 10 46.88 7.68 -29 -2 10 26.30 8.73 -29 2 10 35.71 9.01 29 2 -10 17.91 7.95 29 2 -9 5.02 6.56 -29 2 9 11.04 7.90 -29 -2 9 -8.23 7.63 -29 -2 9 -0.94 7.74 29 2 -9 -5.18 7.44 29 2 -8 -7.19 6.73 -29 2 8 1.46 8.22 -29 -2 8 6.58 7.53 29 2 -8 -2.82 6.72 29 -2 -8 -0.83 6.96 29 2 -7 25.22 7.11 -29 2 7 15.59 8.09 -29 -2 7 33.31 7.60 29 2 -7 13.14 6.82 29 -2 -7 33.59 7.57 -29 2 6 29.30 7.85 29 -2 -6 14.26 6.79 -29 2 5 7.17 7.73 29 -2 -5 17.82 6.61 -29 2 4 30.92 8.16 29 -2 -4 31.44 6.70 29 3 -11 -7.96 6.32 -29 -3 11 2.03 8.42 -29 -3 11 5.16 7.40 29 3 -10 10.93 6.56 -29 -3 10 -4.38 8.41 -29 -3 10 -1.07 7.03 -29 -3 9 12.62 8.03 29 3 -9 6.96 6.13 29 3 -8 17.45 6.76 -29 3 7 10.74 8.29 -29 3 6 53.11 9.44 -29 3 5 26.39 8.48 29 -3 -4 6.45 7.36 -29 3 4 1.97 8.25 -29 3 3 32.93 8.91 29 4 -10 4.00 6.41 30 0 -14 53.79 8.17 30 0 -13 -10.76 6.73 30 0 -12 8.01 6.35 -30 0 11 -3.09 8.56 30 0 -11 -0.47 6.50 -30 0 10 236.96 17.25 30 0 -10 220.54 16.48 -30 0 9 9.32 7.90 30 0 -9 -4.57 7.16 -30 0 8 24.96 7.86 30 0 -8 12.99 6.95 -30 0 7 0.43 7.26 30 0 -7 2.23 6.69 -30 0 6 19.16 7.19 30 0 -6 17.93 6.44 30 1 -13 -4.84 6.46 30 1 -12 87.03 8.93 30 1 -11 -5.31 6.73 -30 -1 11 -3.65 8.51 30 1 -10 71.46 8.50 -30 -1 10 74.71 9.94 -30 1 10 54.24 9.55 30 1 -10 84.46 9.56 30 1 -9 24.50 7.35 -30 1 9 17.42 8.17 -30 -1 9 24.18 8.32 30 1 -9 35.82 8.02 -30 1 8 28.44 8.29 -30 -1 8 20.94 7.69 30 -1 -8 20.27 7.60 30 1 -8 28.92 7.57 -30 1 7 16.67 7.94 -30 -1 7 7.79 7.42 30 1 -7 33.19 7.11 30 -1 -7 17.35 7.01 -30 1 6 53.46 8.67 30 -1 -6 49.87 7.66 30 2 -12 10.45 6.52 30 2 -11 4.65 6.06 -30 -2 11 4.79 8.58 30 2 -10 -2.55 6.36 -30 -2 10 5.58 8.28 30 2 -10 -10.46 8.22 -30 -2 9 8.53 8.19 30 2 -9 0.85 7.18 -30 2 8 79.47 10.15 -30 2 7 17.82 8.04 -30 2 6 19.15 8.06 30 -2 -6 8.16 6.81 -30 2 5 -7.33 7.81 30 -2 -5 10.10 6.61 30 3 -11 23.06 6.83 -30 -3 10 2.53 8.31 -30 3 5 15.29 8.44 -31 0 9 -9.50 8.14 -31 0 8 13.18 7.96 31 0 -8 13.81 7.22 -31 -1 10 14.46 8.73 -31 -1 9 13.12 7.94 31 1 -9 3.40 7.50 -31 1 8 7.64 8.17 31 -1 -7 14.05 7.12 -31 1 7 0.92 7.75 -31 -2 10 65.37 10.02 -31 2 6 3.82 8.42 0 0 0 0.00 0.00 TITL exp_114 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 0.71073 23.165602 7.704117 16.566364 90.0000 110.8957 90.0000 ZERR 4.00 0.001194 0.000332 0.000830 0.0000 0.0058 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O Cu Br UNIT 76.00 92.00 12.00 8.00 16.00 24.00 REM CrysAlisPro recorded range (K): Min=291.7; max=291.9; aver:291.8 TEMP 19 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 38885 _shelx_res_file ; TITL exp_114_a.res in P2(1)/c exp_114.res created by SHELXL-2018/3 at 07:27:53 on 22-Jun-2023 REM Old TITL exp_114_a.res in P2(1) REM SHELXT solution in P2(1)/c: R1 0.270, Rweak 0.053, Alpha 0.131 REM 0.343 for 434 systematic absences, Orientation as input REM Formula found by SHELXT: Br5 C19 Cu5 N5 O3 CELL 0.71073 23.1656 7.7041 16.5664 90 110.896 90 ZERR 4 0.0012 0.0003 0.0008 0 0.006 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Br Cu N O UNIT 72 92 24 16 16 8 EQIV $1 +X,1+Y,+Z EQIV $2 2-X,1-Y,2-Z EQIV $3 1-X,1-Y,1-Z EQIV $4 1-X,0.5+Y,0.5-Z EQIV $5 +X,1.5-Y,0.5+Z EQIV $6 2-X,0.5+Y,1.5-Z EADP C17 C18 C7 C5 EADP C4 C8 C2 EADP Cu4 Cu4A EADP Cu3A Cu3 L.S. 11 0 0 PLAN 8 SIZE 0.2 0.2 0.1 TEMP 19 CONF HTAB O1 Br3 HTAB O2 Br4_$1 HTAB C4 Br2_$2 HTAB C13 Br5_$3 HTAB C1 Br1 HTAB C11 Br3_$3 HTAB C11 Br5_$4 HTAB C9 Br5_$5 HTAB C2 Br2_$6 HTAB C2 Br4_$6 HTAB C18 Br2_$1 HTAB C18 Br4 HTAB C7 Br1_$5 HTAB C10 Br6 HTAB C16 Br6_$5 HTAB list 4 MORE -1 BOND $H fmap 2 53 acta SHEL 10 0.81 TWIN 1 0 1 0 -1 0 0 0 -1 2 OMIT 0 1 3 OMIT 3 2 1 REM REM REM WGHT 0.040600 3.989500 BASF 0.33425 FVAR 0.16201 0.94242 0.92704 PART 1 BR2 3 0.879112 -0.063175 0.752469 21.00000 0.03736 0.02252 = 0.04028 0.00711 0.01465 0.00376 BR1 3 0.886702 0.439439 0.747184 21.00000 0.04174 0.02788 = 0.03314 -0.01048 0.01904 -0.01458 PART 0 BR4 3 0.756977 0.225577 0.562919 11.00000 0.02927 0.05093 = 0.02534 -0.00077 0.00172 -0.00266 BR3 3 0.743787 0.240991 0.805627 11.00000 0.03089 0.05008 = 0.03796 -0.00334 0.02010 -0.00667 PART 1 CU1 4 0.885392 0.656386 0.848278 21.00000 0.02042 0.02820 = 0.02525 -0.00372 0.00840 -0.00255 BR6 3 0.616709 1.041760 0.362096 31.00000 0.03875 0.02592 = 0.02672 0.00154 0.00841 -0.01182 BR5 3 0.622880 0.546303 0.377243 31.00000 0.03871 0.02247 = 0.03891 -0.00400 0.01432 0.00452 CU3 4 0.814233 0.188991 0.731630 21.00000 0.04191 0.03733 = 0.05888 -0.00423 0.02713 0.00100 CU2 4 0.614852 0.825677 0.464471 31.00000 0.02017 0.03000 = 0.02182 0.00230 0.00683 -0.00271 CU4 4 0.689325 0.296127 0.419255 10.94000 0.04146 0.03858 = 0.03891 0.00387 0.00284 0.00426 PART 0 O1 6 0.794752 0.636301 0.827156 11.00000 0.03134 0.03984 = 0.05646 -0.00288 0.01774 -0.00860 AFIX 147 H1 2 0.779586 0.539265 0.824191 11.00000 -1.50000 AFIX 0 N4 5 0.610455 0.751258 0.575773 11.00000 0.03164 0.03964 = 0.02371 0.00088 0.00367 0.00146 C5 1 0.992457 0.746252 0.990377 11.00000 0.04406 0.04884 = 0.02952 0.00137 0.00427 0.00054 N2 5 0.887056 0.745911 0.960113 11.00000 0.03104 0.03926 = 0.02941 -0.00739 0.01774 0.00151 N1 5 0.976323 0.680882 0.908258 11.00000 0.02520 0.02854 = 0.02601 -0.00411 0.00928 -0.00079 O2 6 0.705555 0.835290 0.535739 11.00000 0.03161 0.04891 = 0.04417 0.00292 0.00844 -0.00786 AFIX 147 H2 2 0.723439 0.928382 0.550139 11.00000 -1.50000 AFIX 0 N3 5 0.523424 0.809354 0.431023 11.00000 0.02829 0.03314 = 0.02306 0.00027 0.01105 -0.00155 C14 1 0.505362 0.754259 0.495566 11.00000 0.02292 0.02260 = 0.01220 0.00020 0.00843 0.00170 C15 1 0.556586 0.729235 0.579763 11.00000 0.03267 0.02904 = 0.03012 -0.00035 0.01458 -0.00247 C4 1 1.052745 0.778095 1.039337 11.00000 0.03326 0.05249 = 0.04569 -0.00321 0.01772 -0.00023 AFIX 43 H4 2 1.063117 0.821780 1.095059 11.00000 -1.20000 AFIX 0 C3 1 1.098934 0.744676 1.005276 11.00000 0.02908 0.04715 = 0.04507 0.00283 0.00286 -0.00331 AFIX 43 H3 2 1.140193 0.765954 1.038035 11.00000 -1.20000 AFIX 0 C13 1 0.443287 0.730239 0.483134 11.00000 0.03614 0.04530 = 0.04219 -0.00094 0.03426 -0.00584 AFIX 43 H13 2 0.431362 0.697402 0.528913 11.00000 -1.20000 AFIX 0 C12 1 0.399724 0.755834 0.401962 11.00000 0.02259 0.04728 = 0.03937 0.00158 0.00906 -0.00195 AFIX 43 H12 2 0.358158 0.735100 0.391713 11.00000 -1.20000 AFIX 0 C1 1 1.020823 0.648793 0.876365 11.00000 0.02796 0.05011 = 0.02862 -0.00562 0.01465 -0.00264 AFIX 43 H1A 2 1.009791 0.603748 0.820813 11.00000 -1.20000 AFIX 0 C6 1 0.938837 0.773175 1.017540 11.00000 0.04890 0.03190 = 0.02573 -0.00190 0.02377 -0.00049 C17 1 0.668988 0.742424 0.648829 11.00000 0.04406 0.04884 = 0.02952 0.00137 0.00427 0.00054 AFIX 23 H17A 2 0.669363 0.643175 0.685041 11.00000 -1.20000 H17B 2 0.675167 0.846878 0.683591 11.00000 -1.20000 AFIX 0 C8 1 0.826898 0.751985 0.971657 11.00000 0.03326 0.05249 = 0.04569 -0.00321 0.01772 -0.00023 AFIX 23 H8A 2 0.823678 0.655889 1.007648 11.00000 -1.20000 H8B 2 0.823301 0.859334 1.000096 11.00000 -1.20000 AFIX 0 C11 1 0.417965 0.811623 0.336972 11.00000 0.02670 0.04523 = 0.03654 0.00039 0.00365 0.00362 AFIX 43 H11 2 0.388755 0.832008 0.282335 11.00000 -1.20000 AFIX 0 C9 1 0.777600 0.741305 0.887572 11.00000 0.03053 0.07935 = 0.09622 -0.02665 0.03652 0.00150 AFIX 43 H9 2 0.739468 0.795640 0.874160 11.00000 -1.20000 AFIX 0 C2 1 1.082517 0.680044 0.922833 11.00000 0.03326 0.05249 = 0.04569 -0.00321 0.01772 -0.00023 AFIX 43 H2A 2 1.112396 0.657735 0.898744 11.00000 -1.20000 AFIX 0 C18 1 0.719032 0.724940 0.610587 11.00000 0.04406 0.04884 = 0.02952 0.00137 0.00427 0.00054 AFIX 23 H18A 2 0.758582 0.757213 0.653413 11.00000 -1.20000 H18B 2 0.721657 0.605151 0.594195 11.00000 -1.20000 AFIX 0 C7 1 0.950548 0.828790 1.108147 11.00000 0.04406 0.04884 = 0.02952 0.00137 0.00427 0.00054 AFIX 137 H7A 2 0.994219 0.840791 1.138423 11.00000 -1.50000 H7B 2 0.934353 0.743263 1.136518 11.00000 -1.50000 H7C 2 0.930618 0.938153 1.107883 11.00000 -1.50000 AFIX 0 C10 1 0.480180 0.838118 0.352218 11.00000 0.03368 0.04064 = 0.02959 0.00549 0.01383 0.00249 AFIX 43 H10 2 0.492326 0.876321 0.307443 11.00000 -1.20000 AFIX 0 C16 1 0.543760 0.687787 0.659298 11.00000 0.06062 0.06517 = 0.02286 0.00859 0.01519 -0.00626 AFIX 137 H16A 2 0.582073 0.671873 0.706658 11.00000 -1.50000 H16B 2 0.519781 0.583169 0.650470 11.00000 -1.50000 H16C 2 0.521134 0.781528 0.672180 11.00000 -1.50000 AFIX 0 PART 2 CU1A 4 0.886609 0.837059 0.849604 -21.00000 0.05754 0.04554 = 0.06784 -0.00422 0.03923 -0.00267 BR1A 3 0.876890 0.549069 0.756002 -21.00000 0.06857 0.06396 = 0.05420 -0.00196 0.03448 -0.00023 CU3A 4 0.807747 0.305178 0.727951 -21.00000 0.04191 0.03733 = 0.05888 -0.00423 0.02713 0.00100 BR2A 3 0.883425 0.043124 0.744729 -21.00000 0.07109 0.08623 = 0.03564 0.00931 0.03722 0.02661 BR6A 3 0.620376 0.961544 0.372892 -31.00000 0.05759 0.06514 = 0.05120 -0.01043 0.02513 -0.01110 CU2A 4 0.614695 0.663185 0.463447 -31.00000 0.08091 0.04931 = 0.06320 -0.00571 0.03581 -0.00459 BR5A 3 0.616180 0.473691 0.362690 -31.00000 0.05682 0.10385 = 0.02548 0.02568 0.01095 0.02471 CU4A 4 0.688755 0.190148 0.419249 10.06000 0.04146 0.03858 = 0.03891 0.00387 0.00284 0.00426 HKLF 4 REM exp_114_a.res in P2(1)/c REM wR2 = 0.0761, GooF = S = 1.021, Restrained GooF = 1.021 for all data REM R1 = 0.0293 for 4912 Fo > 4sig(Fo) and 0.0350 for all 5446 data REM 344 parameters refined using 0 restraints END WGHT 0.0406 3.9894 REM Instructions for potential hydrogen bonds HTAB O1 Br3 HTAB O2 Br4_$1 HTAB C4 Br2_$2 HTAB C4 Br2A_$2 HTAB C13 Br5_$3 HTAB C13 Br5A_$3 HTAB C1 Br1 HTAB C1 Br2A_$6 HTAB C11 Br3_$3 HTAB C11 Br5_$4 HTAB C11 Br5A_$4 HTAB C9 Br5_$5 HTAB C2 Br2_$6 HTAB C2 Br4_$6 HTAB C2 Br2A_$6 HTAB C18 Br2_$1 HTAB C18 Br1A HTAB C18 Br4 HTAB C7 Br2A_$2 EQIV $9 x, -y+1/2, z+1/2 HTAB C7 Br2_$9 HTAB C7 Br1_$5 HTAB C7 Br1A_$5 HTAB C10 Br6 HTAB C10 Br5A_$4 HTAB C16 Br6_$5 HTAB C16 Br6A_$5 HTAB C16 Br5A_$3 REM Highest difference peak 0.952, deepest hole -0.969, 1-sigma level 0.110 Q1 1 0.6774 0.2952 0.4633 11.00000 0.05 0.57 Q2 1 0.7819 0.8631 0.8380 11.00000 0.05 0.55 Q3 1 0.7819 0.3045 0.5783 11.00000 0.05 0.51 Q4 1 0.7168 0.2886 0.5616 11.00000 0.05 0.50 Q5 1 0.7811 0.6265 0.9144 11.00000 0.05 0.47 Q6 1 0.8249 0.8385 0.9518 11.00000 0.05 0.47 Q7 1 0.7045 0.6522 0.5346 11.00000 0.05 0.47 Q8 1 0.8343 0.1907 0.7853 11.00000 0.05 0.44 ; _shelx_res_checksum 5654 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_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 Br Br2 0.87911(3) -0.06317(11) 0.75247(5) 0.03317(18) Uani d 0.942(2) A 1 Br Br1 0.88670(3) 0.43944(11) 0.74718(4) 0.03271(18) Uani d 0.942(2) A 1 Br Br4 0.75698(3) 0.22558(9) 0.56292(4) 0.03737(17) Uani d 1 . . Br Br3 0.74379(3) 0.24099(10) 0.80563(5) 0.03751(17) Uani d 1 . . Cu Cu1 0.88539(3) 0.65639(9) 0.84828(4) 0.02455(19) Uani d 0.942(2) A 1 Br Br6 0.61671(5) 1.04176(13) 0.36210(6) 0.0314(2) Uani d 0.927(3) A 1 Br Br5 0.62288(6) 0.54630(11) 0.37724(8) 0.0332(3) Uani d 0.927(3) A 1 Cu Cu3 0.81423(4) 0.18899(12) 0.73163(7) 0.0435(3) Uani d 0.942(2) A 1 Cu Cu2 0.61485(3) 0.82568(9) 0.46447(5) 0.0242(3) Uani d 0.927(3) A 1 Cu Cu4 0.68932(4) 0.29613(14) 0.41925(6) 0.0428(2) Uani d 0.94 A 1 O O1 0.79475(19) 0.6363(6) 0.8272(3) 0.0420(10) Uani d 1 . . H H1 0.779586 0.539265 0.824191 0.063 Uiso calc 1 A 1 N N4 0.6105(3) 0.7513(7) 0.5758(3) 0.0334(12) Uani d 1 . . C C5 0.9925(4) 0.7463(9) 0.9904(5) 0.0432(8) Uani d 1 . . N N2 0.8871(3) 0.7459(7) 0.9601(3) 0.0313(11) Uani d 1 . . N N1 0.9763(2) 0.6809(6) 0.9083(3) 0.0265(10) Uani d 1 . . O O2 0.7056(2) 0.8353(6) 0.5357(3) 0.0429(11) Uani d 1 . . H H2 0.723439 0.928382 0.550139 0.064 Uiso calc 1 A 1 N N3 0.5234(2) 0.8094(6) 0.4310(3) 0.0276(10) Uani d 1 . . C C14 0.5054(3) 0.7543(6) 0.4956(4) 0.0186(10) Uani d 1 . . C C15 0.5566(3) 0.7292(7) 0.5798(4) 0.0297(13) Uani d 1 . . C C4 1.0527(3) 0.7781(9) 1.0393(5) 0.0428(9) Uani d 1 . . H H4 1.063117 0.821780 1.095059 0.051 Uiso calc 1 . . C C3 1.0989(3) 0.7447(9) 1.0053(5) 0.0433(18) Uani d 1 . . H H3 1.140193 0.765954 1.038035 0.052 Uiso calc 1 . . C C13 0.4433(3) 0.7302(9) 0.4831(4) 0.0357(14) Uani d 1 . . H H13 0.431362 0.697402 0.528913 0.043 Uiso calc 1 . . C C12 0.3997(3) 0.7558(9) 0.4020(5) 0.0370(16) Uani d 1 . . H H12 0.358158 0.735100 0.391713 0.044 Uiso calc 1 . . C C1 1.0208(3) 0.6488(8) 0.8764(4) 0.0343(13) Uani d 1 . . H H1A 1.009791 0.603748 0.820813 0.041 Uiso calc 1 . . C C6 0.9388(3) 0.7732(8) 1.0175(4) 0.0327(14) Uani d 1 . . C C17 0.6690(3) 0.7424(10) 0.6488(5) 0.0432(8) Uani d 1 . . H H17A 0.669363 0.643175 0.685041 0.052 Uiso calc 1 . . H H17B 0.675167 0.846878 0.683591 0.052 Uiso calc 1 . . C C8 0.8269(3) 0.7520(10) 0.9717(5) 0.0428(9) Uani d 1 . . H H8A 0.823678 0.655889 1.007648 0.051 Uiso calc 1 . . H H8B 0.823301 0.859334 1.000096 0.051 Uiso calc 1 . . C C11 0.4180(3) 0.8116(8) 0.3370(4) 0.0382(14) Uani d 1 . . H H11 0.388755 0.832008 0.282335 0.046 Uiso calc 1 . . C C9 0.7776(4) 0.7413(12) 0.8876(7) 0.065(2) Uani d 1 . . H H9 0.739468 0.795640 0.874160 0.078 Uiso calc 1 . . C C2 1.0825(3) 0.6800(9) 0.9228(5) 0.0428(9) Uani d 1 . . H H2A 1.112396 0.657735 0.898744 0.051 Uiso calc 1 . . C C18 0.7190(3) 0.7249(10) 0.6106(5) 0.0432(8) Uani d 1 . . H H18A 0.758582 0.757213 0.653413 0.052 Uiso calc 1 . . H H18B 0.721657 0.605151 0.594195 0.052 Uiso calc 1 . . C C7 0.9505(3) 0.8288(9) 1.1081(4) 0.0432(8) Uani d 1 . . H H7A 0.994219 0.840791 1.138423 0.065 Uiso calc 1 . . H H7B 0.934353 0.743263 1.136518 0.065 Uiso calc 1 . . H H7C 0.930618 0.938153 1.107883 0.065 Uiso calc 1 . . C C10 0.4802(3) 0.8381(8) 0.3522(4) 0.0339(13) Uani d 1 . . H H10 0.492326 0.876321 0.307443 0.041 Uiso calc 1 . . C C16 0.5438(4) 0.6878(10) 0.6593(4) 0.0495(18) Uani d 1 . . H H16A 0.582073 0.671873 0.706658 0.074 Uiso calc 1 . . H H16B 0.519781 0.583169 0.650470 0.074 Uiso calc 1 . . H H16C 0.521134 0.781528 0.672180 0.074 Uiso calc 1 . . Cu Cu1A 0.8866(8) 0.837(2) 0.8496(12) 0.052(5) Uani d 0.058(2) A 2 Br Br1A 0.8769(7) 0.549(3) 0.7560(10) 0.059(4) Uani d 0.058(2) A 2 Cu Cu3A 0.8077(7) 0.305(2) 0.7280(11) 0.0435(3) Uani d 0.058(2) A 2 Br Br2A 0.8834(8) 0.043(3) 0.7447(9) 0.059(5) Uani d 0.058(2) A 2 Br Br6A 0.6204(8) 0.962(3) 0.3729(11) 0.056(4) Uani d 0.073(3) A 2 Cu Cu2A 0.6147(8) 0.6632(17) 0.4634(10) 0.062(5) Uani d 0.073(3) A 2 Br Br5A 0.6162(9) 0.474(3) 0.3627(10) 0.063(5) Uani d 0.073(3) A 2 Cu Cu4A 0.6888(7) 0.190(2) 0.4192(10) 0.0428(2) Uani d 0.06 A 2 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 Br2 0.0374(4) 0.0225(3) 0.0403(4) 0.0038(3) 0.0146(3) 0.0071(3) Br1 0.0417(4) 0.0279(4) 0.0331(4) -0.0146(3) 0.0190(3) -0.0105(3) Br4 0.0293(3) 0.0509(4) 0.0253(3) -0.0027(2) 0.0017(3) -0.0008(2) Br3 0.0309(3) 0.0501(4) 0.0380(4) -0.0067(3) 0.0201(3) -0.0033(3) Cu1 0.0204(4) 0.0282(4) 0.0253(4) -0.0026(3) 0.0084(3) -0.0037(3) Br6 0.0388(4) 0.0259(4) 0.0267(4) -0.0118(4) 0.0084(3) 0.0015(4) Br5 0.0387(5) 0.0225(4) 0.0389(5) 0.0045(3) 0.0143(4) -0.0040(3) Cu3 0.0419(5) 0.0373(5) 0.0589(6) 0.0010(4) 0.0271(5) -0.0042(4) Cu2 0.0202(4) 0.0300(4) 0.0218(4) -0.0027(3) 0.0068(3) 0.0023(3) Cu4 0.0415(5) 0.0386(5) 0.0389(5) 0.0043(4) 0.0028(4) 0.0039(4) O1 0.031(2) 0.040(2) 0.056(3) -0.0086(19) 0.018(2) -0.003(2) N4 0.032(3) 0.040(3) 0.024(3) 0.001(2) 0.004(3) 0.001(2) C5 0.044(2) 0.049(2) 0.0295(18) 0.0005(15) 0.0043(15) 0.0014(15) N2 0.031(3) 0.039(3) 0.029(3) 0.002(2) 0.018(3) -0.007(2) N1 0.025(2) 0.029(2) 0.026(2) -0.0008(18) 0.009(2) -0.004(2) O2 0.032(2) 0.049(3) 0.044(3) -0.0079(19) 0.008(2) 0.003(2) N3 0.028(2) 0.033(2) 0.023(2) -0.0015(19) 0.011(2) 0.0003(19) C14 0.023(3) 0.023(2) 0.012(2) 0.002(2) 0.0084(19) 0.0002(19) C15 0.033(3) 0.029(3) 0.030(3) -0.002(2) 0.015(3) 0.000(2) C4 0.033(2) 0.052(2) 0.046(2) -0.0002(17) 0.0177(18) -0.0032(18) C3 0.029(4) 0.047(4) 0.045(5) -0.003(3) 0.003(3) 0.003(3) C13 0.036(3) 0.045(3) 0.042(3) -0.006(3) 0.034(3) -0.001(3) C12 0.023(3) 0.047(4) 0.039(4) -0.002(3) 0.009(3) 0.002(3) C1 0.028(3) 0.050(4) 0.029(3) -0.003(3) 0.015(2) -0.006(3) C6 0.049(4) 0.032(3) 0.026(3) 0.000(3) 0.024(3) -0.002(2) C17 0.044(2) 0.049(2) 0.0295(18) 0.0005(15) 0.0043(15) 0.0014(15) C8 0.033(2) 0.052(2) 0.046(2) -0.0002(17) 0.0177(18) -0.0032(18) C11 0.027(3) 0.045(4) 0.037(3) 0.004(3) 0.004(2) 0.000(3) C9 0.031(4) 0.079(6) 0.096(7) 0.001(4) 0.037(4) -0.027(5) C2 0.033(2) 0.052(2) 0.046(2) -0.0002(17) 0.0177(18) -0.0032(18) C18 0.044(2) 0.049(2) 0.0295(18) 0.0005(15) 0.0043(15) 0.0014(15) C7 0.044(2) 0.049(2) 0.0295(18) 0.0005(15) 0.0043(15) 0.0014(15) C10 0.034(3) 0.041(3) 0.030(3) 0.002(3) 0.014(3) 0.005(3) C16 0.061(5) 0.065(5) 0.023(3) -0.006(4) 0.015(3) 0.009(3) Cu1A 0.058(11) 0.046(9) 0.068(12) -0.003(8) 0.039(10) -0.004(8) Br1A 0.069(10) 0.064(12) 0.054(9) 0.000(8) 0.034(8) -0.002(7) Cu3A 0.0419(5) 0.0373(5) 0.0589(6) 0.0010(4) 0.0271(5) -0.0042(4) Br2A 0.071(10) 0.086(14) 0.036(8) 0.027(9) 0.037(7) 0.009(8) Br6A 0.058(8) 0.065(11) 0.051(8) -0.011(9) 0.025(7) -0.010(8) Cu2A 0.081(12) 0.049(9) 0.063(10) -0.005(7) 0.036(9) -0.006(6) Br5A 0.057(9) 0.104(15) 0.025(7) 0.025(11) 0.011(6) 0.026(9) Cu4A 0.0415(5) 0.0386(5) 0.0389(5) 0.0043(4) 0.0028(4) 0.0039(4) 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' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _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 Cu3 Br2 Cu1 . 1_545 129.92(4) ? Cu1 Br1 Cu3 . . 115.93(4) ? Cu4 Br4 Cu3 . . 167.35(5) ? Cu4A Br4 Cu3A . . 164.9(6) ? Cu3 Br3 Cu4 . 4_566 159.31(4) ? Cu3 Br3 Cu4A . 4_566 167.0(3) ? Cu4 Br3 Cu4A 4_566 4_566 17.7(4) ? Cu3A Br3 Cu4A . 4_566 154.2(5) ? Br1 Cu1 Br2 . 1_565 99.38(3) y O1 Cu1 Br2 . 1_565 97.34(14) y O1 Cu1 Br1 . . 95.65(14) y N2 Cu1 Br2 . 1_565 104.87(16) y N2 Cu1 Br1 . . 155.74(16) y N2 Cu1 O1 . . 81.9(2) y N2 Cu1 N1 . . 80.5(2) ? N1 Cu1 Br2 . 1_565 92.51(13) ? N1 Cu1 Br1 . . 98.12(13) ? N1 Cu1 O1 . . 161.5(2) y Cu2 Br6 Cu4 . 1_565 116.82(5) ? Cu4 Br5 Cu2 . . 131.12(6) ? Br2 Cu3 Br1 . . 104.21(4) ? Br2 Cu3 Br4 . . 106.85(4) ? Br1 Cu3 Br4 . . 95.25(4) ? Br3 Cu3 Br2 . . 124.47(5) ? Br3 Cu3 Br1 . . 111.79(4) ? Br3 Cu3 Br4 . . 110.23(4) ? Br6 Cu2 Br5 . . 99.05(4) ? N4 Cu2 Br6 . . 152.70(16) y N4 Cu2 Br5 . . 108.25(16) ? N4 Cu2 O2 . . 81.6(2) ? N4 Cu2 N3 . . 80.6(2) ? O2 Cu2 Br6 . . 96.41(13) ? O2 Cu2 Br5 . . 95.09(14) ? N3 Cu2 Br6 . . 97.65(14) ? N3 Cu2 Br5 . . 94.12(14) ? N3 Cu2 O2 . . 161.8(2) ? Br4 Cu4 Br3 . 4_565 112.04(5) ? Br4 Cu4 Br6 . 1_545 107.88(5) ? Br4 Cu4 Br5 . . 126.29(6) ? Br6 Cu4 Br3 1_545 4_565 94.15(4) ? Br5 Cu4 Br3 . 4_565 107.49(5) ? Br5 Cu4 Br6 . 1_545 103.88(5) ? Cu1 O1 H1 . . 118.7 ? C9 O1 Cu1 . . 111.4(4) ? C9 O1 H1 . . 109.5 ? C15 N4 Cu2 . . 117.6(5) ? C15 N4 C17 . . 125.6(6) ? C15 N4 Cu2A . . 111.8(7) ? C17 N4 Cu2 . . 116.5(5) ? C17 N4 Cu2A . . 114.4(7) ? N1 C5 C6 . . 113.1(6) ? C4 C5 N1 . . 121.0(7) ? C4 C5 C6 . . 125.9(7) ? C6 N2 Cu1 . . 117.8(4) ? C6 N2 C8 . . 126.1(5) ? C6 N2 Cu1A . . 109.5(7) ? C8 N2 Cu1 . . 115.6(4) ? C8 N2 Cu1A . . 114.9(7) ? C5 N1 Cu1 . . 113.3(4) ? C5 N1 Cu1A . . 96.5(6) ? C1 N1 Cu1 . . 127.7(4) ? C1 N1 C5 . . 118.9(5) ? C1 N1 Cu1A . . 129.7(6) ? Cu2 O2 H2 . . 121.1 ? C18 O2 Cu2 . . 110.1(4) ? C18 O2 H2 . . 109.5 ? C18 O2 Cu2A . . 89.2(5) ? C14 N3 Cu2 . . 113.5(4) ? C14 N3 C10 . . 119.0(5) ? C14 N3 Cu2A . . 100.5(5) ? C10 N3 Cu2 . . 127.4(4) ? C10 N3 Cu2A . . 127.8(5) ? N3 C14 C15 . . 114.5(5) ? N3 C14 C13 . . 121.4(5) ? C13 C14 C15 . . 124.0(5) ? N4 C15 C14 . . 113.6(6) ? N4 C15 C16 . . 125.4(6) ? C16 C15 C14 . . 121.0(6) ? C5 C4 H4 . . 120.2 ? C5 C4 C3 . . 119.7(7) ? C3 C4 H4 . . 120.2 ? C4 C3 H3 . . 120.4 ? C2 C3 C4 . . 119.1(7) ? C2 C3 H3 . . 120.4 ? C14 C13 H13 . . 120.5 ? C12 C13 C14 . . 119.0(5) ? C12 C13 H13 . . 120.5 ? C13 C12 H12 . . 120.3 ? C11 C12 C13 . . 119.5(6) ? C11 C12 H12 . . 120.3 ? N1 C1 H1A . . 118.8 ? N1 C1 C2 . . 122.5(6) ? C2 C1 H1A . . 118.8 ? C5 C6 C7 . . 118.4(6) ? N2 C6 C5 . . 115.2(6) ? N2 C6 C7 . . 126.4(6) ? N4 C17 H17A . . 110.5 ? N4 C17 H17B . . 110.5 ? N4 C17 C18 . . 106.3(6) ? H17A C17 H17B . . 108.7 ? C18 C17 H17A . . 110.5 ? C18 C17 H17B . . 110.5 ? N2 C8 H8A . . 109.8 ? N2 C8 H8B . . 109.8 ? H8A C8 H8B . . 108.3 ? C9 C8 N2 . . 109.3(6) ? C9 C8 H8A . . 109.8 ? C9 C8 H8B . . 109.8 ? C12 C11 H11 . . 120.0 ? C12 C11 C10 . . 119.9(6) ? C10 C11 H11 . . 120.0 ? O1 C9 C8 . . 112.2(6) ? O1 C9 H9 . . 123.9 ? C8 C9 H9 . . 123.9 ? C3 C2 C1 . . 118.8(6) ? C3 C2 H2A . . 120.6 ? C1 C2 H2A . . 120.6 ? O2 C18 C17 . . 110.1(6) ? O2 C18 H18A . . 109.6 ? O2 C18 H18B . . 109.6 ? C17 C18 H18A . . 109.6 ? C17 C18 H18B . . 109.6 ? H18A C18 H18B . . 108.1 ? C6 C7 H7A . . 109.5 ? C6 C7 H7B . . 109.5 ? C6 C7 H7C . . 109.5 ? H7A C7 H7B . . 109.5 ? H7A C7 H7C . . 109.5 ? H7B C7 H7C . . 109.5 ? N3 C10 C11 . . 121.1(6) ? N3 C10 H10 . . 119.5 ? C11 C10 H10 . . 119.5 ? C15 C16 H16A . . 109.5 ? C15 C16 H16B . . 109.5 ? C15 C16 H16C . . 109.5 ? H16A C16 H16B . . 109.5 ? H16A C16 H16C . . 109.5 ? H16B C16 H16C . . 109.5 ? N2 Cu1A N1 . . 73.4(6) ? N2 Cu1A Br1A . . 102.5(8) ? N2 Cu1A Br2A . 1_565 158.1(10) ? N1 Cu1A Br1A . . 71.7(6) ? N1 Cu1A Br2A . 1_565 117.1(8) ? Br2A Cu1A Br1A 1_565 . 99.2(8) ? Cu3A Br1A Cu1A . . 132.4(8) ? Br3 Cu3A Br4 . . 112.7(6) ? Br3 Cu3A Br1A . . 124.7(8) ? Br3 Cu3A Br2A . . 108.1(7) ? Br1A Cu3A Br4 . . 113.7(8) ? Br1A Cu3A Br2A . . 101.9(8) ? Br2A Cu3A Br4 . . 88.0(6) ? Cu1A Br2A Cu3A 1_545 . 116.4(7) ? Cu4A Br6A Cu2A 1_565 . 127.7(9) ? N4 Cu2A O2 . . 71.2(5) ? N4 Cu2A N3 . . 72.9(5) ? N4 Cu2A Br6A . . 104.3(6) ? N4 Cu2A Br5A . . 158.7(9) ? O2 Cu2A Br6A . . 67.2(5) ? N3 Cu2A O2 . . 114.6(6) ? N3 Cu2A Br6A . . 71.5(5) ? Br5A Cu2A O2 . . 119.2(9) ? Br5A Cu2A N3 . . 114.0(8) ? Br5A Cu2A Br6A . . 97.0(8) ? Cu2A Br5A Cu4A . . 116.3(8) ? Br4 Cu4A Br3 . 4_565 111.8(6) ? Br4 Cu4A Br5A . . 111.4(8) ? Br3 Cu4A Br5A 4_565 . 89.4(6) ? Br6A Cu4A Br4 1_545 . 123.9(9) ? Br6A Cu4A Br5A 1_545 . 103.4(8) ? 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 Br2 Cu1 1_545 2.6540(11) y Br2 Cu3 . 2.4046(12) y Br1 Cu1 . 2.3739(10) y Br1 Cu3 . 2.5098(11) y Br4 Cu3 . 2.6469(12) y Br4 Cu4 . 2.3990(12) y Br4 Cu3A . 2.634(17) ? Br4 Cu4A . 2.357(16) ? Br3 Cu3 . 2.3987(11) y Br3 Cu4 4_566 2.6288(12) y Br3 Cu3A . 2.336(16) ? Br3 Cu4A 4_566 2.676(18) ? Cu1 O1 . 2.008(4) y Cu1 N2 . 1.964(5) y Cu1 N1 . 1.992(5) y Br6 Cu2 . 2.3878(11) y Br6 Cu4 1_565 2.5359(14) y Br5 Cu2 . 2.6357(11) y Br5 Cu4 . 2.4092(14) y Cu2 N4 . 1.968(5) y Cu2 O2 . 2.011(4) y Cu2 N3 . 1.993(5) y O1 H1 . 0.8200 ? O1 C9 . 1.448(10) ? N4 C15 . 1.284(8) ? N4 C17 . 1.462(9) ? N4 Cu2A . 2.016(15) ? C5 N1 . 1.372(9) ? C5 C4 . 1.364(10) ? C5 C6 . 1.479(11) ? N2 C6 . 1.255(8) ? N2 C8 . 1.473(8) ? N2 Cu1A . 1.957(18) ? N1 C1 . 1.338(7) ? N1 Cu1A . 2.296(18) ? O2 H2 . 0.8200 ? O2 C18 . 1.443(8) ? O2 Cu2A . 2.413(16) ? N3 C14 . 1.348(7) ? N3 C10 . 1.351(7) ? N3 Cu2A . 2.284(17) ? C14 C15 . 1.487(9) ? C14 C13 . 1.390(8) ? C15 C16 . 1.485(9) ? C4 H4 . 0.9300 ? C4 C3 . 1.400(10) ? C3 H3 . 0.9300 ? C3 C2 . 1.374(10) ? C13 H13 . 0.9300 ? C13 C12 . 1.378(9) ? C12 H12 . 0.9300 ? C12 C11 . 1.359(10) ? C1 H1A . 0.9300 ? C1 C2 . 1.381(9) ? C6 C7 . 1.490(9) ? C17 H17A . 0.9700 ? C17 H17B . 0.9700 ? C17 C18 . 1.512(11) ? C8 H8A . 0.9700 ? C8 H8B . 0.9700 ? C8 C9 . 1.455(12) ? C11 H11 . 0.9300 ? C11 C10 . 1.387(8) ? C9 H9 . 0.9300 ? C2 H2A . 0.9300 ? C18 H18A . 0.9700 ? C18 H18B . 0.9700 ? C7 H7A . 0.9600 ? C7 H7B . 0.9600 ? C7 H7C . 0.9600 ? C10 H10 . 0.9300 ? C16 H16A . 0.9600 ? C16 H16B . 0.9600 ? C16 H16C . 0.9600 ? Cu1A Br1A . 2.67(3) ? Cu1A Br2A 1_565 2.34(3) ? Br1A Cu3A . 2.40(2) ? Cu3A Br2A . 2.62(2) ? Br6A Cu2A . 2.77(2) ? Br6A Cu4A 1_565 2.31(2) ? Cu2A Br5A . 2.23(3) ? Br5A Cu4A . 2.71(3) ? 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 _geom_hbond_publ_flag O1 H1 Br3 . 0.82 2.43 3.240(4) 172.4 yes O2 H2 Br4 1_565 0.82 2.40 3.206(4) 166.7 yes C4 H4 Br2 3_767 0.93 3.04 3.915(8) 158.2 yes C13 H13 Br5 3_666 0.93 2.99 3.843(6) 153.9 yes C1 H1A Br1 . 0.93 2.96 3.477(6) 116.9 yes C11 H11 Br3 3_666 0.93 2.95 3.670(6) 135.8 yes C11 H11 Br5 2_655 0.93 3.05 3.790(7) 138.1 yes C9 H9 Br5 4_576 0.93 2.98 3.888(8) 165.8 yes C2 H2A Br2 2_756 0.93 3.09 3.818(7) 136.2 yes C2 H2A Br4 2_756 0.93 2.91 3.658(7) 138.5 yes C18 H18A Br2 1_565 0.97 3.02 3.965(7) 164.4 yes C18 H18B Br4 . 0.97 3.13 4.086(7) 169.0 yes C7 H7C Br1 4_576 0.96 2.99 3.621(7) 124.7 yes C10 H10 Br6 . 0.93 2.98 3.482(6) 115.3 yes C16 H16A Br6 4_576 0.96 2.92 3.636(7) 132.6 yes 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 Cu1 O1 C9 C8 . . . . -32.9(9) ? Cu1 N2 C6 C5 . . . . 4.5(8) ? Cu1 N2 C6 C7 . . . . -175.5(5) ? Cu1 N2 C8 C9 . . . . -17.9(8) ? Cu1 N1 C1 C2 . . . . 176.2(5) ? Cu2 N4 C15 C14 . . . . 3.6(7) ? Cu2 N4 C15 C16 . . . . -174.7(5) ? Cu2 N4 C17 C18 . . . . -22.2(7) ? Cu2 O2 C18 C17 . . . . -41.0(6) ? Cu2 N3 C14 C15 . . . . 4.2(6) ? Cu2 N3 C14 C13 . . . . -178.1(4) ? Cu2 N3 C10 C11 . . . . 176.0(4) ? N4 C17 C18 O2 . . . . 40.2(7) ? C5 N1 C1 C2 . . . . -0.4(9) ? C5 C4 C3 C2 . . . . 0.0(11) ? N2 C8 C9 O1 . . . . 32.5(10) ? N1 C5 C4 C3 . . . . 0.4(11) ? N1 C5 C6 N2 . . . . -5.4(9) ? N1 C5 C6 C7 . . . . 174.6(6) ? N1 C1 C2 C3 . . . . 0.8(10) ? N3 C14 C15 N4 . . . . -5.1(7) ? N3 C14 C15 C16 . . . . 173.2(6) ? N3 C14 C13 C12 . . . . 3.0(9) ? C14 N3 C10 C11 . . . . -0.1(9) ? C14 C13 C12 C11 . . . . -3.1(10) ? C15 N4 C17 C18 . . . . 164.1(6) ? C15 C14 C13 C12 . . . . -179.5(6) ? C4 C5 N1 Cu1 . . . . -177.3(5) ? C4 C5 N1 C1 . . . . -0.2(10) ? C4 C5 N1 Cu1A . . . . -142.9(7) ? C4 C5 C6 N2 . . . . 175.6(7) ? C4 C5 C6 C7 . . . . -4.4(11) ? C4 C3 C2 C1 . . . . -0.5(11) ? C13 C14 C15 N4 . . . . 177.2(5) ? C13 C14 C15 C16 . . . . -4.4(9) ? C13 C12 C11 C10 . . . . 1.6(10) ? C12 C11 C10 N3 . . . . 0.0(10) ? C6 C5 N1 Cu1 . . . . 3.6(7) ? C6 C5 N1 C1 . . . . -179.3(5) ? C6 C5 N1 Cu1A . . . . 38.0(7) ? C6 C5 C4 C3 . . . . 179.4(7) ? C6 N2 C8 C9 . . . . 170.8(7) ? C17 N4 C15 C14 . . . . 177.2(6) ? C17 N4 C15 C16 . . . . -1.0(10) ? C8 N2 C6 C5 . . . . 175.7(6) ? C8 N2 C6 C7 . . . . -4.3(11) ? C10 N3 C14 C15 . . . . -179.1(5) ? C10 N3 C14 C13 . . . . -1.4(8) ? Cu1A N2 C6 C5 . . . . -40.2(8) ? Cu1A N2 C6 C7 . . . . 139.8(8) ? Cu1A N2 C8 C9 . . . . 28.3(9) ? Cu1A N1 C1 C2 . . . . 128.3(8) ? Cu2A N4 C15 C14 . . . . -36.4(7) ? Cu2A N4 C15 C16 . . . . 145.4(7) ? Cu2A N4 C17 C18 . . . . 18.5(8) ? Cu2A O2 C18 C17 . . . . -64.7(6) ? Cu2A N3 C14 C15 . . . . 36.2(6) ? Cu2A N3 C14 C13 . . . . -146.1(6) ? Cu2A N3 C10 C11 . . . . 133.8(7) ? loop_ _twin_individual_id _twin_individual_mass_fraction_refined 1 0.6658(9) 2 0.3342(9)