#------------------------------------------------------------------------------ #$Date: 2024-07-02 05:17:34 +0300 (Tue, 02 Jul 2024) $ #$Revision: 292682 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/20/1572024.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_1572024 loop_ _publ_author_name 'Yamamoto, Ryo' 'Hashimoto, Shu' 'Okuno, Tsunehisa' _publ_section_title ; 2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine ; _journal_coeditor_code BX4031 _journal_issue 6 _journal_name_full IUCrData _journal_paper_doi 10.1107/S2414314624006151 _journal_volume 9 _journal_year 2024 _chemical_formula_iupac 'C15 H12 B N3' _chemical_formula_moiety 'C15 H12 B N3' _chemical_formula_sum 'C15 H12 B N3' _chemical_formula_weight 245.09 _chemical_name_common 3-(Pyridin-4-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaene _chemical_name_systematic 2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine _space_group_crystal_system tetragonal _space_group_IT_number 82 _space_group_name_Hall 'I -4' _space_group_name_H-M_alt 'I -4' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 21.5659(3) _cell_length_b 21.5659(3) _cell_length_c 5.08630(10) _cell_measurement_reflns_used 5132 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 74.9570 _cell_measurement_theta_min 2.9150 _cell_volume 2365.58(7) _computing_cell_refinement ; CrysAlisPro 1.171.43.109a (Rigaku OD, 2024) ; _computing_data_collection ; CrysAlisPro 1.171.43.109a (Rigaku OD, 2024) ; _computing_data_reduction ; CrysAlisPro 1.171.43.109a (Rigaku OD, 2024) ; _computing_molecular_graphics ; Olex2 1.5 (Dolomanov et al., 2009) ; _computing_publication_material ; Olex2 1.5 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2013/2 (Sheldrick, 2015) ; _computing_structure_solution ; SHELXS (Sheldrick, 2008) ; _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.974 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy R, DW system, HyPix' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0363 _diffrn_reflns_av_unetI/netI 0.0327 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_number 7772 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 74.980 _diffrn_reflns_theta_min 2.898 _diffrn_source 'Rotating-anode X-ray tube' _exptl_absorpt_coefficient_mu 0.648 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.80731 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2024) ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_density_diffrn 1.376 _exptl_crystal_description block _exptl_crystal_F_000 1024 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.152 _refine_diff_density_min -0.155 _refine_ls_abs_structure_details ; Flack x determined using 840 quotients [(I^+^)-(I^-^)]/[(I^+^)+(I^-^)] (Parsons et al., 2013) ; _refine_ls_abs_structure_Flack -0.2(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 180 _refine_ls_number_reflns 2268 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.056 _refine_ls_R_factor_all 0.0341 _refine_ls_R_factor_gt 0.0314 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0502P)^2^+0.1789P] where P=(Fo^2^+2Fc^2^)/3 ; _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0803 _refine_ls_wR_factor_ref 0.0825 _reflns_number_gt 2125 _reflns_number_total 2268 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file bx4031.cif _cod_data_source_block I _cod_original_cell_volume 2365.58(8) _cod_database_code 1572024 _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 0.881 _shelx_estimated_absorpt_t_max 0.968 _shelx_hkl_file ; 0 0 -2 23.31 2.08 0 0 2 28.21 2.59 0 0 -4 104.18 6.34 0 0 4 102.94 7.03 0 0 4 113.17 7.23 0 0 6 861.06 26.01 0 1 -1 422.97 12.54 0 1 1 434.74 11.70 0 -1 -1 437.16 11.68 -1 0 -1 450.74 12.37 0 -1 1 434.26 11.68 0 1 -1 430.37 11.69 -1 0 1 425.38 12.84 0 -1 1 449.65 12.78 0 -1 3 320.71 12.30 1 0 -3 303.21 11.36 -1 0 3 297.47 12.08 0 1 -3 297.50 11.17 -1 0 -3 313.67 11.04 0 -1 -3 301.16 11.16 0 -1 5 46.22 4.78 -1 0 5 49.84 5.16 1 0 5 51.44 5.12 1 -1 0 7.58 0.53 -1 -1 2 244.94 9.06 -1 1 -2 241.84 8.41 -1 -1 -2 252.41 8.36 1 1 -2 253.92 8.75 1 -1 2 256.69 9.13 1 1 -4 16.24 3.11 -1 -1 4 16.48 3.49 -1 -1 4 23.01 3.60 1 -1 -4 14.79 2.65 1 -1 4 19.64 3.39 -1 1 -4 16.38 2.78 -1 -1 6 118.32 5.88 1 -1 6 120.17 5.85 -2 1 -1 49.72 2.28 1 2 -1 54.09 2.53 -1 -2 1 46.78 2.58 1 2 1 45.24 2.42 2 -1 1 49.38 1.92 2 -1 -1 51.54 1.91 -1 -2 3 30.98 3.43 -2 1 -3 37.28 3.13 1 2 -3 44.86 3.56 -1 -2 -3 40.68 3.11 2 -1 -3 41.78 3.52 1 2 5 103.75 7.08 2 -1 5 103.97 6.94 -1 -2 5 100.81 7.11 2 0 0 172.84 5.06 0 -2 0 164.38 4.98 -2 0 2 133.87 6.05 0 -2 2 129.32 5.85 -2 0 -2 136.15 5.14 0 2 2 120.52 5.74 2 0 -4 186.99 9.21 0 2 -4 175.62 9.03 0 -2 4 195.12 9.75 0 2 4 179.30 9.54 -2 0 4 200.48 10.05 2 0 -4 181.46 9.05 2 0 4 182.78 9.55 0 -2 4 172.64 9.44 -2 0 6 6.14 1.84 0 2 6 8.64 1.91 2 0 6 7.30 1.92 0 -2 6 8.62 1.96 -2 -1 -1 1277.93 33.96 1 -2 1 1243.83 34.61 1 -2 1 1283.97 33.93 -1 2 -1 1283.48 34.53 1 -2 -1 1251.81 33.90 -1 2 1 1258.69 34.70 2 1 -3 39.06 3.51 -1 2 3 42.10 3.92 -2 -1 -3 37.27 3.01 -2 -1 -3 42.70 3.09 -1 2 -3 40.72 3.49 1 -2 -3 42.62 3.41 -2 -1 3 40.02 3.86 1 -2 5 565.15 19.92 -1 2 5 523.34 19.69 -2 -1 5 499.65 19.66 2 -2 0 1661.68 44.42 2 2 -2 111.79 4.99 -2 -2 2 102.26 5.08 -2 2 -2 103.12 4.59 -2 2 2 96.52 5.05 -2 -2 -2 109.25 4.26 2 -2 4 19.25 3.33 2 -2 4 16.03 3.24 -2 2 4 12.73 3.05 -2 -2 4 18.74 3.18 2 2 -4 15.96 2.92 2 -2 -4 11.50 2.39 2 2 4 11.53 3.00 -2 2 -4 14.33 2.57 -2 -2 4 20.33 3.47 2 -2 6 146.13 6.51 -2 2 6 143.99 6.61 -2 -2 6 147.24 6.63 2 2 6 147.10 6.52 -3 2 -1 853.84 23.71 3 -2 1 845.01 23.50 3 -2 -1 864.42 23.51 2 3 -1 860.09 24.04 -2 -3 3 40.58 3.97 -3 2 3 41.18 3.98 2 3 -3 39.66 3.67 -3 2 -3 47.44 3.52 3 -2 -3 49.20 3.92 -3 2 5 187.14 9.95 3 -2 5 201.90 9.81 -2 -3 5 175.50 9.54 2 3 5 187.74 9.64 1 3 0 2023.49 53.17 1 3 0 1976.14 53.58 3 -1 0 2002.00 53.58 1 3 2 52.39 3.36 -1 -3 2 42.94 1.57 -1 -3 2 43.92 3.13 1 3 -2 49.53 3.12 -3 1 -2 41.18 2.72 3 -1 4 6.21 2.46 1 3 -4 1.78 1.95 3 -1 -4 4.78 2.09 -1 -3 4 5.72 2.62 3 -1 4 4.83 2.60 1 3 4 2.97 2.40 -1 -3 4 1.14 2.57 -1 -3 6 80.35 4.57 1 3 6 79.86 4.50 3 -1 6 78.61 4.50 -3 0 -1 228.59 6.90 0 3 1 232.99 7.31 0 -3 1 238.90 7.35 0 -3 1 240.66 6.92 0 -3 -1 230.14 6.88 3 0 -1 216.90 6.91 3 0 1 230.33 6.98 3 0 -3 36.35 3.50 -3 0 -3 38.82 3.13 0 3 -3 44.47 3.64 0 -3 -3 49.46 3.51 -3 0 3 40.11 3.92 0 -3 5 38.65 4.44 -3 0 5 43.93 4.71 0 3 5 40.24 4.57 3 0 5 48.65 4.71 3 1 0 1536.13 41.37 1 -3 0 1537.58 41.27 1 -3 2 166.09 5.01 1 -3 2 179.66 7.11 -3 -1 -2 183.81 6.21 -3 -1 2 163.54 7.25 -1 3 2 183.74 7.09 3 1 -2 184.51 7.02 -1 3 -2 180.62 6.81 -3 -1 -2 184.20 6.04 -1 3 -4 85.77 5.97 -3 -1 4 86.90 6.31 -1 3 4 82.83 6.27 3 1 -4 86.07 6.07 1 -3 4 85.71 6.25 -1 3 6 74.28 4.33 -3 -1 6 69.87 4.34 1 -3 6 70.26 4.23 -3 -2 -1 5028.92 135.12 -2 3 -1 5185.52 136.09 -3 -2 -1 5205.82 135.02 2 -3 1 5026.95 135.62 2 -3 -1 5185.01 135.65 -2 3 3 76.65 5.25 3 2 -3 74.72 4.97 -3 -2 -3 76.29 4.18 -2 3 -3 72.52 4.63 -3 -2 3 82.26 5.47 2 -3 5 107.46 6.97 -2 3 5 92.68 6.76 3 2 5 102.08 6.91 -3 -2 5 103.02 7.01 3 -3 0 1771.58 47.72 3 -3 2 1138.67 31.36 3 -3 -2 1112.78 31.31 -3 3 2 1201.40 33.50 3 3 -2 1114.53 33.00 -3 -3 2 1133.19 31.21 -3 3 -2 1212.44 32.74 -3 -3 -2 1169.43 31.64 -3 -3 2 1235.66 33.63 3 3 4 32.44 3.97 3 -3 -4 32.01 3.83 3 3 -4 29.16 3.90 -3 3 -4 32.79 3.56 -3 -3 4 40.10 4.40 3 -3 4 36.83 4.28 3 -3 4 33.79 4.25 3 -3 6 36.43 2.90 3 3 6 41.76 3.03 -3 -3 6 34.06 2.97 -3 3 6 36.48 3.02 4 -3 -1 405.16 12.38 -4 3 -1 417.80 12.49 4 -3 1 432.77 12.51 3 4 -3 27.68 3.14 -4 3 -3 26.91 2.78 -3 -4 3 26.30 3.27 -4 3 3 23.54 3.18 3 4 -5 109.37 6.93 -3 -4 5 130.29 7.71 3 4 5 112.75 7.09 4 -3 5 123.48 7.30 -4 3 5 124.29 7.69 2 4 0 1848.44 50.66 2 4 0 1947.94 51.38 4 -2 0 1987.91 51.38 4 -2 2 72.43 2.91 4 -2 -2 63.03 2.80 -2 -4 2 64.14 3.93 -4 2 2 77.31 4.58 2 4 -2 77.05 4.09 -2 -4 2 69.77 2.80 -2 -4 -2 70.65 2.79 -4 2 -2 67.72 3.59 4 -2 -4 13.28 2.81 2 4 -4 15.34 3.13 -2 -4 4 12.05 3.07 4 -2 4 8.46 2.66 -2 -4 4 12.83 3.00 -4 2 4 15.88 3.36 4 -2 4 13.86 2.98 2 4 4 13.42 2.96 -4 2 6 20.58 2.42 2 4 6 24.43 2.40 -2 -4 6 22.30 2.41 4 -2 6 29.51 2.61 -4 1 -1 1177.32 31.76 4 -1 1 1132.21 31.95 -1 -4 1 1122.94 32.02 1 4 1 1175.48 31.84 4 -1 -1 1203.48 32.03 1 4 -1 1184.74 31.84 1 4 -3 173.10 7.96 -1 -4 -3 162.22 7.03 4 -1 -3 159.65 7.93 -4 1 -3 171.85 7.29 4 -1 5 188.84 9.57 1 4 5 170.78 9.23 -1 -4 5 185.72 9.52 4 0 0 727.07 20.07 0 -4 0 725.18 19.95 0 4 0 700.47 19.55 0 4 2 353.05 11.47 0 -4 2 324.07 11.40 -4 0 -2 334.84 10.52 0 4 -2 331.93 11.24 0 -4 2 321.82 9.59 4 0 -4 143.01 8.17 4 0 4 149.44 8.46 -4 0 4 163.61 9.45 0 -4 4 169.39 9.01 0 4 -4 149.98 8.26 0 -4 4 154.44 8.57 0 4 4 136.88 8.21 4 0 6 15.73 2.17 0 4 6 13.62 1.99 0 -4 6 13.54 2.01 -4 0 6 19.63 2.44 -1 4 1 9636.07 258.57 1 -4 -1 9764.72 258.41 -4 -1 -1 9999.00 257.92 1 -4 1 9753.37 258.39 -1 4 -1 9611.70 258.83 -4 -1 -3 335.22 11.38 4 1 -3 346.79 12.85 -4 -1 3 328.97 13.20 -1 4 3 323.84 12.88 -1 4 -3 322.08 12.27 -4 -1 5 105.58 7.23 -1 4 5 113.38 7.17 1 -4 5 114.95 7.22 4 2 0 417.83 11.77 2 -4 0 434.49 12.39 2 -4 2 219.31 6.67 2 -4 -2 202.99 6.59 -2 4 2 207.68 8.09 -4 -2 2 215.99 8.65 -2 4 -2 210.37 7.95 4 2 -2 211.95 8.17 -4 -2 -2 221.33 7.01 -4 -2 4 39.65 4.75 -2 4 4 33.94 4.26 4 2 4 37.71 4.25 2 -4 4 29.70 3.98 2 -4 4 34.11 4.16 -4 -2 4 30.31 3.91 -2 4 4 30.46 3.60 -2 4 -4 26.82 3.41 2 -4 6 72.89 4.08 4 2 6 77.26 4.28 -4 -2 6 74.53 4.32 -2 4 6 71.78 4.13 3 -4 1 719.26 19.90 3 -4 -1 709.97 19.89 -3 4 -1 674.56 20.05 -4 -3 3 136.28 7.47 -3 4 -3 131.93 6.56 4 3 -3 135.58 7.03 -3 4 3 128.57 7.10 -3 4 5 11.82 2.76 -4 -3 5 11.43 2.73 4 3 -5 11.25 2.68 4 3 5 10.86 2.72 3 -4 5 13.88 2.89 4 -4 0 168.17 5.94 -4 4 2 238.38 9.44 -4 -4 2 245.81 9.62 4 4 -2 241.80 9.31 -4 4 -2 258.86 9.02 4 -4 2 255.13 8.04 4 -4 -2 242.31 7.99 4 4 -4 44.94 4.74 4 -4 4 55.99 5.18 4 -4 -4 50.30 4.74 4 4 4 46.07 4.49 -4 4 -4 48.24 4.33 4 -4 4 53.62 4.97 -4 -4 4 57.05 5.13 4 4 -4 43.38 4.49 4 -4 6 63.29 3.55 -4 -4 6 60.05 3.63 -4 4 6 55.14 3.44 5 -4 -1 1141.94 31.54 -5 4 -1 1156.56 31.49 5 -4 1 1115.07 31.52 4 5 -1 1089.52 31.61 -5 4 3 32.34 3.71 -4 -5 3 43.43 4.05 5 -4 3 39.16 3.71 -5 4 -3 35.67 3.23 5 -4 5 21.96 3.38 4 5 5 22.70 3.25 -4 -5 5 22.50 3.44 -5 4 5 15.98 3.11 4 5 -5 23.03 3.22 -5 4 5 18.30 2.74 3 5 0 118.32 4.67 3 5 0 119.13 3.84 5 -3 0 109.17 4.56 5 -3 -2 2187.51 61.21 -3 -5 -2 2250.72 61.04 -3 -5 2 2238.94 61.02 3 5 -2 2307.17 62.68 -3 -5 2 2356.15 62.70 5 -3 2 2299.48 61.23 -5 3 -2 2251.42 61.83 3 5 4 26.72 3.66 -3 -5 4 26.23 3.74 -3 -5 4 34.26 4.24 5 -3 -4 28.03 3.66 -5 3 4 41.45 4.75 3 5 -4 28.15 3.84 3 5 -4 35.03 3.93 5 -3 4 32.67 3.92 5 -3 4 30.24 3.89 -3 -5 6 11.65 1.73 -5 3 6 11.13 1.73 3 5 6 9.90 1.54 2 5 -1 994.55 27.39 2 5 -1 1017.71 27.54 2 5 1 962.85 27.34 5 -2 1 969.16 27.32 -2 -5 1 980.84 27.32 5 -2 -1 968.49 27.31 -5 2 -1 968.43 27.13 -2 -5 3 219.58 9.42 -5 2 -3 204.02 8.12 -5 2 3 178.35 9.19 2 5 -3 183.58 8.74 5 -2 5 40.96 4.26 2 5 -5 41.81 4.06 -2 -5 5 50.44 4.71 2 5 5 44.09 4.43 -5 2 5 50.93 5.02 5 -1 0 29.15 1.97 1 5 0 25.34 1.49 1 5 0 26.26 1.85 -1 -5 -2 502.07 14.76 1 5 -2 497.41 16.19 -5 1 -2 532.64 15.47 -1 -5 2 518.56 16.25 -1 -5 2 517.88 14.79 1 5 4 12.93 3.03 1 5 -4 16.95 3.02 1 5 4 14.40 2.52 -1 -5 4 8.14 2.96 -1 -5 4 18.34 3.32 5 -1 4 15.49 3.09 5 -1 -4 18.52 3.25 5 -1 6 9.39 1.78 1 5 6 6.67 1.50 -1 -5 6 11.05 1.81 5 0 -1 3349.37 88.48 0 -5 1 3391.24 88.20 0 -5 1 3262.09 88.33 5 0 1 3335.04 88.51 0 5 1 3203.31 88.08 0 -5 -1 3321.39 88.33 -5 0 -3 526.78 16.78 5 0 -3 534.42 18.47 -5 0 3 519.72 18.95 0 5 -3 555.57 18.32 0 -5 5 34.51 4.08 -5 0 5 34.52 4.26 5 0 5 33.29 3.85 0 5 5 33.70 3.88 5 1 0 2950.51 79.79 1 -5 0 2995.12 79.60 -1 5 2 145.53 4.88 -1 5 2 136.00 5.99 -5 -1 -2 133.08 4.95 -1 5 -2 125.93 5.89 -1 5 -2 135.09 4.81 1 -5 2 141.87 4.85 1 -5 -2 134.32 4.78 -1 5 -4 74.46 5.61 5 1 -4 75.95 5.86 1 -5 4 73.15 5.83 -5 -1 4 74.92 6.41 -1 5 4 69.78 5.25 -1 5 4 63.91 5.62 -1 5 6 59.83 3.42 1 -5 6 56.35 3.40 -5 -1 6 51.12 3.58 2 -5 -1 3037.69 78.06 2 -5 1 2978.92 78.02 -2 5 1 2811.88 77.87 -2 5 -1 2810.14 78.19 -5 -2 3 285.19 12.29 -2 5 -3 292.32 11.35 -2 5 3 307.48 12.07 5 2 -3 287.60 11.79 2 -5 5 16.23 3.00 5 2 -5 12.94 2.82 5 2 5 18.59 3.31 -2 5 5 12.29 2.85 -5 -2 5 11.62 2.92 3 -5 0 1.30 1.20 5 3 0 -0.05 0.68 -3 5 2 209.47 8.26 3 -5 2 215.06 7.12 -3 5 -2 219.46 8.19 5 3 -2 222.82 8.53 3 -5 -2 205.29 7.07 -5 -3 4 19.87 3.33 3 -5 4 14.70 3.05 5 3 -4 22.14 3.28 5 3 -4 16.39 3.18 -3 5 4 22.06 3.53 -3 5 4 21.18 3.20 3 -5 4 22.32 3.51 5 3 4 22.37 3.54 -5 -3 4 21.25 3.85 -3 5 -4 17.23 2.89 -5 -3 6 29.39 2.60 -3 5 6 33.39 2.53 3 -5 6 31.97 2.45 4 -5 -1 112.99 4.64 5 4 -1 102.99 4.68 4 -5 1 114.98 4.64 -4 5 -1 114.45 4.71 -4 5 -3 183.84 8.26 5 4 -3 186.36 8.82 -4 5 3 193.44 9.03 -5 -4 3 180.63 9.04 -5 -4 3 186.07 8.68 -5 -4 5 48.67 4.72 4 -5 5 41.52 4.19 5 4 5 49.42 4.51 -4 5 5 43.95 3.87 -4 5 5 46.04 4.51 5 4 -5 50.30 4.52 5 4 -5 44.58 4.14 5 -5 0 1654.31 44.73 5 5 0 1609.40 43.40 -5 5 -2 661.66 20.59 5 -5 2 727.59 19.97 5 -5 -2 663.71 19.80 -5 5 2 692.80 21.46 -5 -5 2 613.29 21.12 5 -5 4 91.32 6.47 -5 -5 4 85.80 6.82 -5 5 4 88.96 6.98 -5 -5 4 84.51 6.36 5 5 4 91.28 6.35 5 5 -4 99.70 6.57 5 -5 4 97.89 6.64 5 5 -4 95.81 6.45 5 5 -4 86.35 6.60 5 5 -4 94.95 6.56 5 -5 -4 83.45 6.45 -5 5 6 62.27 3.27 -5 -5 6 60.54 3.41 6 -5 -1 679.50 20.43 6 -5 1 695.08 20.45 -6 5 3 109.52 6.98 -5 -6 3 108.98 6.42 -6 5 -3 124.85 6.36 5 6 -3 130.37 7.24 5 6 -3 127.91 7.20 6 -5 3 115.50 6.72 -5 -6 3 122.10 7.09 5 6 -5 47.36 4.52 5 6 -5 50.05 4.20 -6 5 5 42.54 4.03 5 6 -5 45.62 4.16 6 -5 5 50.23 4.33 -6 5 5 45.74 4.42 -5 -6 5 51.48 4.60 5 6 5 56.09 4.44 5 6 -5 43.96 4.38 4 6 0 121.37 4.08 6 -4 0 121.01 5.11 6 -4 -2 19.08 2.05 6 -4 2 19.19 1.95 -6 4 -2 23.02 2.35 -4 -6 2 22.27 1.97 -4 -6 2 19.68 2.48 -4 -6 4 141.78 8.40 4 6 -4 163.44 8.95 6 -4 4 158.39 8.47 6 -4 -4 145.34 8.63 4 6 -4 155.39 8.89 6 -4 4 132.57 8.07 -4 -6 4 144.08 8.34 -6 4 4 156.72 9.27 4 6 -4 151.35 8.43 4 6 4 152.19 8.22 -4 -6 6 1.49 1.07 -6 4 6 0.40 1.03 6 -3 1 19.47 1.98 3 6 -1 20.68 1.88 6 -3 -1 21.20 1.93 -6 3 -3 236.46 9.34 3 6 -3 212.67 9.97 -3 -6 3 252.01 10.52 -6 3 3 230.69 10.76 3 6 5 21.43 3.16 3 6 -5 16.79 3.07 3 6 -5 14.15 2.86 -3 -6 5 19.39 3.27 3 6 -5 16.02 2.71 -6 3 5 19.34 3.35 -6 3 5 12.79 2.34 6 -3 5 18.04 3.04 2 6 0 202.84 7.08 2 6 0 195.88 6.28 6 -2 0 215.87 7.16 6 -2 -2 136.94 5.51 -6 2 -2 144.84 5.74 -2 -6 2 141.11 6.19 -2 -6 2 148.38 5.40 6 -2 2 139.25 5.48 -2 -6 -2 144.31 5.38 -2 -6 4 100.34 7.07 2 6 -4 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9.52 2.81 -6 8 4 5.49 2.23 8 6 -4 8.76 2.52 8 6 4 10.19 2.53 -6 8 4 6.46 2.53 8 6 -4 7.37 2.31 8 6 -4 6.20 2.81 -8 -6 4 7.39 2.34 8 6 -4 7.05 2.70 6 -8 4 9.08 2.58 8 6 -4 7.69 2.65 7 -8 1 242.27 9.46 7 -8 -1 242.74 9.51 8 7 -3 41.85 4.44 8 7 -3 39.40 4.28 -7 8 3 39.86 4.22 8 7 -3 44.23 4.67 -8 -7 3 48.05 4.65 -7 8 3 42.88 4.19 8 7 -3 49.01 4.83 8 7 -3 41.51 4.52 -8 -7 3 41.88 4.10 8 7 3 44.90 3.98 -8 -7 3 50.65 4.74 8 7 -3 44.96 4.66 8 7 -3 45.58 4.53 -8 -7 3 39.14 4.42 8 7 -5 51.20 4.05 -7 8 5 42.60 3.62 8 7 -5 54.92 4.40 8 7 -5 44.84 4.36 8 7 -5 45.21 4.24 -7 8 5 45.20 4.02 8 7 -5 41.15 3.67 -8 -7 5 50.76 4.26 8 -8 0 64.87 4.37 8 8 -2 50.08 4.47 8 8 -2 63.10 4.86 8 -8 -2 51.14 3.92 8 8 -2 55.79 4.66 8 8 -2 58.83 4.27 -8 8 2 60.70 4.53 8 8 -2 52.25 4.60 8 -8 2 48.30 3.84 8 8 -2 57.40 4.82 8 8 -4 54.60 5.23 -8 -8 4 55.98 4.78 8 8 4 58.19 4.67 8 8 -4 50.51 5.46 8 -8 4 52.73 4.75 8 8 -4 47.77 5.14 -8 -8 4 53.81 4.73 8 -8 4 57.92 4.76 8 8 -4 55.32 5.30 8 8 -4 59.43 5.61 8 8 -4 52.36 5.16 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36.04 4.49 9 7 -4 50.90 4.71 -9 -7 4 38.64 4.13 9 7 -4 42.34 4.60 9 7 4 45.68 4.23 -9 -7 4 43.50 4.19 7 -9 4 40.79 4.38 9 7 -4 42.40 4.96 9 7 -4 46.54 4.80 -7 9 4 36.85 4.07 9 7 -4 42.01 4.61 9 7 -4 44.78 4.93 9 7 -4 41.53 4.57 7 -9 4 45.66 4.07 9 8 -1 15.03 1.94 8 -9 1 15.82 2.63 8 -9 -1 15.25 2.49 9 8 -3 35.52 4.55 -8 9 3 40.37 4.42 -9 -8 3 47.55 4.85 9 8 -3 43.63 4.70 9 8 -3 47.87 4.84 9 8 -3 38.31 4.58 9 8 -3 48.18 4.88 -9 -8 3 43.79 4.50 -9 -8 3 42.16 4.54 9 8 -3 30.77 3.99 9 8 -3 37.68 4.54 9 8 -3 49.45 4.85 9 8 -3 38.08 4.53 -8 9 3 38.28 4.06 9 8 -5 27.87 3.34 9 8 -5 30.72 3.06 -9 -8 5 28.42 2.98 9 8 -5 32.39 3.34 9 8 -5 33.86 3.54 -8 9 5 29.11 3.19 9 -9 0 127.56 6.75 9 9 -2 13.46 2.88 9 -9 -2 10.84 2.28 9 9 -2 13.24 2.86 9 9 -2 12.96 2.82 9 9 -2 17.57 3.18 -9 9 2 10.86 2.37 9 9 -2 16.15 3.00 9 9 -2 10.71 2.67 9 9 -2 14.14 2.51 9 -9 2 12.26 2.38 -9 -9 2 13.96 2.66 9 9 -4 39.07 4.32 9 9 -4 43.60 4.82 9 9 -4 42.32 4.73 -9 -9 4 35.01 3.82 9 9 -4 32.12 4.14 -9 -9 4 44.41 4.32 9 -9 4 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388.68 13.35 -10 -5 3 74.97 5.90 -10 -5 3 77.87 6.27 10 5 -3 80.78 6.01 -10 -5 3 65.87 6.05 10 5 -3 72.66 5.96 10 5 3 79.45 5.94 10 5 -3 72.88 5.78 -5 10 -3 64.52 5.25 10 5 -3 66.80 5.47 10 5 -3 78.83 5.87 10 5 -3 68.63 5.59 10 5 -3 81.46 5.90 10 5 -3 78.32 6.03 10 5 3 77.87 5.45 10 5 -3 72.76 5.80 -5 10 5 5.15 1.89 5 -10 5 7.42 2.18 10 5 -5 12.53 2.42 10 5 -5 8.36 1.99 -10 -5 5 9.18 2.30 10 5 -5 8.52 2.08 6 -10 0 30.75 3.13 -10 -6 2 50.10 4.62 6 -10 -2 52.91 4.05 10 6 -2 59.23 4.79 10 6 -2 57.57 4.71 6 -10 2 53.24 4.06 10 6 -2 54.38 4.69 10 6 -2 59.68 4.42 10 6 -2 53.71 4.58 -6 10 2 49.31 3.63 10 6 -2 53.84 4.73 10 6 -2 48.00 4.61 10 6 -2 54.20 4.59 10 6 -2 56.77 4.67 -6 10 4 58.65 5.04 10 6 -4 67.70 5.80 6 -10 4 48.83 4.90 10 6 -4 64.87 5.72 10 6 -4 60.98 5.35 -10 -6 4 56.65 4.94 -6 10 4 66.49 5.64 10 6 -4 66.88 5.84 10 6 -4 59.37 5.19 7 -10 -1 311.59 11.90 7 -10 1 307.62 11.81 -10 -7 3 32.98 4.27 -10 -7 3 39.61 4.44 10 7 -3 38.49 4.44 10 7 -3 38.60 4.53 10 7 -3 35.62 4.14 10 7 3 29.48 3.86 10 7 -3 39.59 4.52 10 7 -3 31.04 4.00 10 7 -3 36.35 4.32 -10 -7 3 34.91 4.23 10 7 -3 37.51 4.29 10 7 -3 31.54 4.45 10 7 -5 30.20 3.14 -7 10 5 28.96 3.24 -10 -7 5 31.70 3.17 10 7 -5 38.17 3.65 10 7 -5 34.31 3.41 8 -10 0 339.33 12.97 8 -10 2 21.17 2.86 10 8 2 31.02 3.28 10 8 -2 27.95 3.53 10 8 -2 26.03 3.49 10 8 -2 25.68 3.81 10 8 -2 20.47 3.34 10 8 -2 22.35 3.27 8 -10 -2 20.56 2.93 10 8 -4 24.97 3.86 10 8 -4 27.17 3.86 10 8 -4 28.61 3.96 10 8 -4 24.52 3.60 -8 10 4 22.18 3.61 8 -10 4 24.86 3.40 10 8 -4 24.83 3.78 10 8 -4 27.01 4.01 -10 -8 4 22.94 3.34 10 9 -1 96.95 5.99 10 9 -1 101.95 4.95 10 9 -1 108.93 6.33 9 -10 -1 110.62 6.29 10 9 -1 97.93 6.11 10 9 -1 91.23 5.95 10 9 -1 93.20 6.12 10 9 -1 100.50 6.22 9 -10 1 98.52 6.03 10 9 -3 7.75 2.70 10 9 -3 3.77 2.17 10 9 -3 6.91 2.74 10 9 -3 3.62 2.16 10 9 -3 12.67 3.05 -10 -9 3 6.54 2.81 10 9 -3 6.38 2.72 10 9 -3 9.26 2.79 10 9 -3 11.10 3.04 10 9 -3 8.32 2.80 10 9 -5 0.91 1.50 -9 10 5 -0.90 1.72 10 9 -5 -0.25 1.51 10 9 -5 2.43 1.57 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199.84 9.70 -1 11 4 189.67 9.87 -11 -1 4 181.84 10.58 11 1 -4 197.76 9.68 -1 11 -4 189.79 9.98 2 -11 -1 5.78 1.94 2 -11 1 4.24 1.83 11 2 3 208.88 10.48 -2 11 3 210.94 10.44 -2 11 -3 212.79 10.18 11 2 -3 212.47 10.11 -11 -2 3 207.61 11.28 11 2 3 213.51 10.00 11 2 -3 187.51 10.29 11 2 -3 206.36 10.24 -11 -2 3 221.29 11.43 11 2 -3 208.47 10.29 -2 11 3 203.35 11.25 -11 -2 3 207.99 10.13 11 2 -3 244.91 10.60 -11 -2 5 7.59 2.17 -2 11 -5 5.82 2.02 -2 11 -5 7.06 2.10 2 -11 5 8.86 2.34 3 -11 0 37.41 3.32 11 3 0 33.82 2.10 11 3 2 173.27 8.59 -3 11 2 175.09 8.59 3 -11 2 175.41 7.90 11 3 -2 196.04 9.08 3 -11 -2 187.57 8.07 -3 11 -2 191.05 8.14 -3 11 2 195.23 8.17 -11 -3 2 177.20 8.81 11 3 -2 165.97 8.57 11 3 -2 192.97 9.08 11 3 -2 176.39 8.59 11 3 -2 175.52 8.36 -3 11 -2 176.28 8.39 11 3 -2 184.91 8.85 -3 11 4 51.32 4.79 3 -11 4 57.53 5.53 11 3 -4 62.39 5.06 -3 11 4 49.76 4.91 11 3 -4 47.21 4.63 -11 -3 4 53.19 5.53 11 3 -4 48.31 4.76 11 3 -4 43.79 4.74 -3 11 -4 58.57 5.28 11 4 -1 100.12 5.08 4 -11 1 99.42 5.56 4 -11 -1 96.04 5.52 11 4 -3 16.02 3.02 11 4 -3 10.54 2.60 11 4 3 8.48 2.64 11 4 -3 13.96 3.01 -4 11 -3 13.08 2.84 -11 -4 3 14.43 3.47 11 4 -3 12.56 2.83 11 4 -3 12.40 3.13 -11 -4 3 10.44 2.85 -11 -4 3 9.68 3.06 11 4 -3 14.13 3.02 -4 11 3 12.15 3.31 4 -11 5 53.58 4.20 -4 11 -5 50.08 4.16 11 4 -5 48.80 3.80 -11 -4 5 48.96 4.26 5 -11 0 43.24 3.78 11 5 -2 4.53 2.28 11 5 -2 6.45 2.17 11 5 -2 4.58 2.05 5 -11 -2 7.95 2.00 5 -11 2 2.31 1.78 11 5 -2 1.65 1.82 11 5 -2 4.69 2.21 11 5 2 5.44 2.15 11 5 -2 3.39 2.19 -5 11 2 1.87 1.72 11 5 -2 4.29 1.81 11 5 -2 0.65 1.83 11 5 2 6.70 2.15 -5 11 4 42.38 4.72 -11 -5 4 34.54 3.78 11 5 -4 33.26 4.11 5 -11 4 34.84 4.25 -5 11 4 39.54 4.27 11 5 -4 36.52 4.42 -11 -5 4 42.52 4.96 11 5 -4 40.49 4.36 11 5 -4 36.55 4.39 6 -11 -1 336.52 12.83 6 -11 1 347.67 12.95 -11 -6 3 9.89 3.02 -11 -6 3 16.96 3.24 -6 11 3 18.12 3.50 11 6 -3 10.36 2.66 11 6 -3 16.04 3.18 11 6 -3 12.96 2.96 11 6 -3 15.40 3.49 11 6 3 14.02 2.95 11 6 -3 12.61 2.97 -11 -6 3 20.59 3.70 11 6 -3 12.54 3.05 -6 11 5 66.45 4.47 11 6 -5 66.03 4.56 11 6 -5 62.90 4.18 -11 -6 5 64.49 4.51 7 -11 0 227.36 9.77 11 7 2 66.98 5.03 11 7 2 70.04 5.06 -7 11 2 69.46 4.95 11 7 -2 72.58 5.50 11 7 -2 65.50 5.36 11 7 -2 72.55 5.63 11 7 -2 66.75 5.31 11 7 -2 69.84 5.53 11 7 -2 72.15 5.73 7 -11 -2 50.60 4.42 7 -11 2 75.93 5.06 -7 11 4 35.09 3.99 11 7 -4 35.84 4.28 -11 -7 4 30.63 3.58 -7 11 4 31.15 4.09 11 7 -4 31.29 3.95 7 -11 4 30.66 3.88 11 7 -4 27.70 3.99 11 7 -4 32.40 4.05 11 7 -4 33.64 4.32 11 8 -1 31.07 3.52 11 8 -1 37.09 3.77 11 8 -1 34.80 3.77 8 -11 -1 31.93 3.54 11 8 -1 34.05 3.73 11 8 -1 32.95 2.73 8 -11 1 41.55 3.89 11 8 -1 29.61 3.70 11 8 -3 12.29 3.24 11 8 -3 22.33 3.69 -11 -8 3 23.07 3.70 11 8 -3 20.47 3.49 11 8 -3 19.28 3.62 -11 -8 3 20.98 3.59 11 8 -3 18.30 3.05 11 8 -3 20.22 3.84 11 8 -3 21.44 3.57 -11 -8 3 14.73 3.24 11 8 -3 14.49 3.22 11 8 -5 73.72 4.67 -8 11 5 74.34 4.56 11 8 -5 76.06 4.51 -11 -8 5 67.38 4.06 9 -11 0 -0.96 1.96 11 9 -2 12.92 3.02 11 9 -2 13.87 2.95 11 9 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58.43 4.88 11 12 -1 65.71 5.26 12 -11 -1 64.70 5.70 12 -11 -1 58.21 5.30 12 -11 1 62.58 5.49 11 12 -1 61.26 5.19 11 12 -1 65.27 5.54 11 12 -3 82.41 6.57 11 12 -3 95.91 6.99 -11 -12 3 94.84 6.90 11 12 -3 87.37 6.76 11 12 -3 82.51 6.62 11 12 -3 86.10 6.79 11 12 -3 102.23 7.40 12 -10 0 448.02 17.31 10 12 0 448.20 16.29 12 -10 0 471.16 17.50 12 -10 2 0.69 2.49 10 12 -2 4.88 2.43 12 -10 2 5.86 2.27 10 12 -2 4.34 2.38 10 12 -2 4.40 2.42 -10 -12 2 4.81 2.15 10 12 -2 3.71 2.49 10 12 -2 7.29 2.78 10 12 -2 2.76 2.20 -10 -12 4 4.76 2.07 -12 10 4 5.30 2.41 10 12 -4 7.30 2.46 10 12 -4 9.39 2.62 10 12 -4 10.42 2.70 9 12 -1 36.55 3.87 12 -9 -1 40.56 4.13 9 12 -1 29.42 3.54 9 12 -1 30.48 3.58 12 -9 1 30.84 3.81 9 12 -1 29.43 3.52 12 -9 -1 33.78 4.07 12 -9 1 34.03 3.98 9 12 -1 29.45 3.61 9 12 -1 35.00 3.72 9 12 -1 34.37 3.91 -9 -12 3 117.42 7.74 9 12 -3 122.75 8.10 9 12 -3 120.87 7.94 9 12 -3 117.89 7.90 9 12 -3 109.49 7.70 -12 9 3 109.72 7.32 9 12 -3 113.33 7.84 9 12 -3 123.06 8.16 9 12 -5 6.59 1.78 9 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124.44 7.50 12 4 -4 124.94 7.68 -12 -4 4 113.40 8.09 4 -12 4 115.19 7.66 12 4 -4 123.98 7.59 -4 12 -4 118.42 7.63 5 -12 -1 114.70 6.51 5 -12 1 120.25 6.65 12 5 -1 127.42 5.90 -12 -5 3 147.71 8.60 12 5 3 146.81 8.55 12 5 -3 155.70 8.67 12 5 -3 144.94 8.48 12 5 -3 143.07 8.68 12 5 -3 132.95 8.16 -12 -5 3 133.06 9.00 -12 -5 3 132.64 8.66 12 5 -3 150.74 8.71 -5 12 3 129.84 8.91 -5 12 3 142.04 8.42 5 -12 5 22.39 2.67 12 5 -5 18.43 2.34 -12 -5 5 14.97 2.40 -5 12 -5 18.97 2.70 6 -12 0 637.14 21.20 -6 12 2 18.36 3.20 12 6 2 22.11 3.18 6 -12 -2 12.91 2.56 6 -12 2 23.14 3.03 12 6 -2 17.56 3.05 12 6 -2 23.08 3.32 -6 12 2 17.04 2.87 12 6 -2 21.85 3.46 12 6 -2 21.06 2.95 12 6 2 20.25 3.08 12 6 -2 21.37 3.37 -6 12 2 19.91 3.22 -6 12 4 118.99 7.43 12 6 -4 98.91 6.90 12 6 -4 114.57 7.46 -12 -6 4 100.12 6.44 6 -12 4 106.89 7.05 -6 12 4 115.57 6.99 12 6 -4 103.80 6.93 -12 -6 4 115.28 7.63 12 6 -4 110.44 7.27 12 7 -1 53.41 4.58 7 -12 1 61.84 4.68 7 -12 -1 66.34 4.90 -12 -7 1 46.14 4.39 12 7 -1 47.34 4.43 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2.26 2.45 12 9 -3 3.13 2.23 12 9 -5 72.68 4.00 12 9 -5 66.14 4.01 -9 12 5 64.83 4.01 12 10 0 137.00 7.33 12 10 0 130.94 7.29 12 10 0 144.38 7.41 -12 -10 0 125.59 7.26 10 -12 0 130.49 7.71 -12 -10 2 13.01 3.26 -10 12 -2 19.78 3.24 12 10 -2 14.98 3.26 10 -12 2 15.83 3.22 12 10 -2 12.22 2.97 12 10 -2 17.16 3.29 10 -12 2 10.45 2.71 -12 -10 4 78.38 5.48 -10 12 4 81.43 5.96 12 10 -4 88.53 6.12 12 10 -4 89.11 6.32 12 10 -4 83.38 5.97 12 10 -4 76.79 5.96 12 11 -1 73.03 5.60 12 11 -1 70.76 5.68 12 11 -1 69.89 5.49 -12 -11 1 71.85 5.89 11 -12 -1 74.90 6.05 11 -12 1 61.79 5.54 12 11 -1 73.90 5.73 12 11 -3 11.87 2.94 -11 12 3 4.08 2.28 -12 -11 3 6.79 2.72 12 11 -3 9.14 2.85 -12 -12 0 217.33 10.39 12 12 0 227.94 10.03 12 12 0 228.24 10.06 12 12 0 207.18 9.99 12 -12 0 233.05 11.36 -12 -12 2 -0.37 2.12 12 12 -2 -0.85 2.24 12 -12 -2 -1.09 2.54 12 12 -2 2.05 2.05 12 12 -2 0.41 2.11 -12 -12 2 -1.31 2.39 12 -12 2 -0.73 2.02 12 12 -2 0.82 2.19 12 12 -2 0.91 2.14 -12 -12 4 14.54 2.54 12 12 -4 14.37 2.76 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62.04 4.96 -5 -13 -2 74.09 5.18 13 -5 -2 59.77 5.03 5 13 -2 71.50 5.02 5 13 -2 60.85 5.42 13 -5 2 71.45 5.32 5 13 -2 63.01 5.45 13 -5 2 62.92 5.00 5 13 2 68.74 5.76 5 13 -4 80.03 6.26 5 13 -4 63.98 5.68 -5 -13 4 70.57 5.58 -5 -13 4 62.07 4.83 5 13 -4 70.50 5.92 5 13 -4 61.33 5.49 -13 5 4 76.11 6.13 5 13 -4 63.94 5.55 4 13 1 106.13 6.42 4 13 -1 115.09 5.56 -4 -13 1 107.88 6.44 -4 -13 -1 103.91 6.44 13 -4 -1 95.74 6.45 13 -4 1 102.24 6.59 13 -4 1 96.69 6.18 4 13 3 111.88 7.46 4 13 -3 127.51 8.09 4 13 -3 120.19 7.44 -13 4 3 122.23 8.65 13 -4 3 112.06 7.54 -13 4 3 119.71 8.32 4 13 3 116.20 8.46 4 13 -3 128.85 8.36 -13 4 5 1.91 1.47 -4 -13 5 4.48 1.62 4 13 -5 3.75 1.57 4 13 -5 3.34 1.68 4 13 -5 2.51 1.57 -13 4 5 3.99 1.63 4 13 -5 1.84 1.53 4 13 -5 7.70 2.01 4 13 -5 4.36 1.74 3 13 0 1230.68 37.15 13 -3 0 1245.35 37.55 -3 -13 0 1200.20 37.02 -3 -13 2 132.79 7.18 -3 -13 -2 146.53 7.46 3 13 -2 146.63 7.50 13 -3 2 141.70 7.89 3 13 2 142.22 8.71 3 13 4 10.01 2.47 3 13 -4 6.77 2.91 -3 -13 4 10.68 2.80 3 13 -4 5.13 2.80 -13 3 4 13.23 3.26 3 13 -4 8.86 2.85 -2 -13 1 75.31 5.24 13 -2 -1 76.40 5.46 -2 -13 -1 73.83 5.25 13 -2 1 79.43 5.58 2 13 -1 78.08 4.69 2 13 -1 83.40 5.50 2 13 1 79.24 5.33 13 -2 1 81.94 5.53 2 13 3 121.75 7.75 13 -2 3 134.20 8.13 2 13 -3 149.10 8.10 -13 2 3 102.58 8.13 13 -2 -3 104.17 7.64 -13 2 3 131.24 8.68 2 13 -3 118.13 8.16 2 13 3 121.58 8.62 2 13 -5 3.19 1.77 -2 -13 5 4.06 1.76 2 13 -5 0.76 1.45 2 13 -5 2.37 1.55 2 13 -5 2.45 1.55 -13 2 5 1.49 1.70 2 13 -5 -0.51 1.55 2 13 -5 1.08 1.64 -1 -13 0 13.76 2.53 1 13 0 16.67 2.78 13 -1 0 14.06 2.68 1 13 2 10.82 2.56 -1 -13 -2 6.35 2.11 13 -1 -2 12.31 2.45 1 13 -2 12.88 2.52 -1 -13 2 9.29 2.35 13 -1 -2 8.92 2.20 13 -1 2 11.46 2.67 1 13 4 31.44 3.77 1 13 -4 25.45 4.06 1 13 -4 21.70 3.52 0 13 -1 344.34 13.13 0 13 1 321.71 12.80 0 -13 1 333.88 12.94 0 -13 -1 341.59 12.95 0 13 3 1354.03 42.85 0 13 3 1387.07 42.81 0 13 -3 1363.90 42.43 -13 0 3 1331.08 44.35 13 0 -3 1351.71 41.92 13 0 -3 1384.28 43.40 13 0 -3 1427.13 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0 118.14 6.72 2 14 2 222.00 10.62 2 14 -2 231.80 10.06 14 -2 -2 218.61 9.94 14 -2 -2 217.14 9.80 -2 -14 2 213.14 9.70 -2 -14 -2 218.31 9.80 14 -2 2 191.59 9.74 14 -2 2 200.30 10.24 2 14 2 211.89 11.16 2 14 4 1.71 1.91 2 14 -4 5.82 2.74 2 14 -4 5.77 2.61 2 14 -4 3.12 2.21 1 14 1 23.67 3.17 1 14 -1 29.72 3.56 1 14 1 25.46 3.35 14 -1 -1 25.59 3.15 14 -1 -1 28.04 3.38 -1 -14 1 20.77 3.18 -1 -14 -1 25.12 3.31 14 -1 1 21.57 3.17 1 14 3 152.15 8.75 14 -1 3 143.37 8.77 1 14 -3 155.44 8.69 14 -1 -3 136.62 8.82 1 14 -3 144.63 9.13 -1 -14 5 4.76 1.73 1 14 -5 8.42 1.74 1 14 -5 7.79 1.84 1 14 -5 7.46 2.09 1 14 -5 1.79 1.78 1 14 -5 6.69 1.74 1 14 -5 8.87 1.95 1 14 -5 7.55 1.93 0 14 0 32.99 3.83 0 14 0 43.90 4.06 14 0 0 35.76 3.60 14 0 0 29.75 3.36 0 -14 0 32.77 3.72 0 14 2 26.96 3.63 0 14 2 34.41 4.52 0 14 2 32.73 3.98 14 0 2 38.16 4.23 14 0 2 28.93 3.73 0 14 -2 35.83 3.79 0 14 -2 37.44 3.87 0 14 2 32.54 3.60 14 0 -2 34.77 3.90 14 0 -2 35.73 3.73 0 -14 2 34.05 3.64 14 0 -2 30.21 3.57 0 -14 -2 31.02 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55.68 4.71 -1 21 -2 55.36 5.18 -1 21 2 52.35 5.51 -2 21 1 307.91 13.12 -2 21 -1 339.64 14.35 21 2 -1 304.91 13.18 21 2 -1 303.91 13.24 21 2 1 291.02 13.33 21 2 -1 305.86 14.02 21 2 1 293.57 13.80 -2 21 3 7.79 2.25 -2 21 -3 4.65 1.78 21 2 3 10.30 2.20 -2 21 -3 5.60 1.75 21 2 -3 7.07 1.71 -21 -2 3 7.13 2.23 -3 21 0 147.60 9.37 21 3 0 161.81 8.99 21 3 0 165.84 9.73 -3 21 2 61.24 5.17 21 3 2 58.47 5.17 -3 21 -2 54.79 5.02 21 3 2 69.36 5.41 21 3 -2 60.35 4.82 21 3 -2 62.70 5.04 -3 21 2 75.13 6.23 -4 21 1 41.15 4.22 -4 21 1 43.17 5.04 21 4 1 36.63 4.17 -4 21 -1 36.77 4.44 21 4 -1 40.19 4.29 21 4 1 40.20 4.44 21 4 -1 32.65 4.06 -4 21 3 29.18 3.22 -4 21 -3 28.53 2.80 21 4 3 27.71 3.06 -4 21 -3 23.11 2.62 21 4 -3 31.78 2.71 21 4 -3 26.14 2.80 -21 -4 3 29.03 3.30 -4 21 -3 34.55 3.60 -5 21 0 222.50 11.52 -5 21 2 15.86 3.17 -5 21 2 11.98 2.79 -5 21 -2 9.88 2.58 21 5 2 12.64 2.65 21 5 -2 12.16 2.55 21 5 -2 12.19 2.47 -6 21 1 74.46 5.48 -6 21 -1 73.74 6.05 21 6 1 75.85 5.71 21 6 -1 69.53 5.62 21 6 -1 79.80 5.94 21 6 1 82.61 6.06 -6 21 1 90.73 6.74 -6 21 3 11.14 2.25 21 6 -3 10.62 1.86 21 6 -3 12.04 2.10 -21 -6 3 17.19 2.38 -6 21 -3 14.60 2.57 21 7 0 32.09 3.70 21 7 0 28.38 3.78 21 7 0 29.64 3.86 -7 21 2 183.94 8.86 -7 21 -2 170.68 8.19 7 -21 -2 157.22 7.91 7 -21 2 166.88 7.99 21 7 2 181.52 8.35 21 7 -2 184.03 8.68 21 7 -2 174.30 8.58 -7 21 2 180.33 9.07 -8 21 1 31.39 3.53 21 8 1 34.36 3.64 21 8 1 36.70 3.75 21 8 -1 39.56 4.18 21 8 1 44.14 4.17 -8 21 1 46.88 4.58 -8 21 3 43.27 3.44 21 8 -3 42.05 3.01 21 8 -3 42.07 3.25 -8 21 -3 46.60 3.72 21 9 0 31.80 3.34 21 9 0 28.74 3.59 21 9 0 23.46 3.32 -9 21 2 19.35 2.89 21 9 -2 22.04 2.87 9 -21 -2 17.32 2.59 21 9 -2 16.03 2.66 -10 21 1 38.18 3.58 10 -21 -1 38.50 4.16 10 -21 1 40.71 4.26 21 10 -1 37.78 3.81 -10 21 3 2.01 1.20 21 10 -3 0.32 1.01 -10 21 -3 0.55 1.24 -11 21 0 13.76 2.73 21 11 0 17.81 2.67 21 11 0 19.57 2.70 11 -21 0 15.67 3.09 -11 21 2 9.29 2.00 21 11 -2 14.81 2.34 21 11 -2 12.81 2.09 12 -21 -1 37.84 3.77 12 -21 1 31.73 3.49 21 12 -1 38.95 3.52 21 12 -1 32.00 3.25 -13 21 0 30.23 3.42 13 -21 0 29.46 3.42 -13 21 2 18.46 2.05 21 13 -2 13.48 1.83 21 14 -1 6.66 1.61 14 -21 -1 7.44 1.90 14 -21 1 3.65 1.64 15 -21 0 -0.65 1.62 16 -21 -1 23.13 2.07 16 -21 1 19.80 1.99 17 -21 0 8.22 1.42 -22 14 0 2.01 1.42 22 -14 0 1.81 1.45 -22 13 1 73.23 4.48 -22 13 -1 87.39 4.74 22 -13 -1 82.83 4.62 22 -13 1 83.73 4.63 22 -12 0 11.97 2.39 -12 -22 2 81.00 4.10 -11 -22 1 10.48 2.06 22 -11 -1 8.35 2.14 22 -11 1 9.88 2.22 22 -10 0 -1.28 2.11 -10 -22 2 2.06 1.46 10 22 -2 1.95 1.47 9 22 -1 55.92 4.41 22 -9 -1 51.32 4.58 22 -9 1 51.87 4.53 9 22 -3 63.82 3.46 8 22 0 2.23 1.88 22 -8 0 3.67 1.75 8 22 0 4.13 1.87 22 -8 0 1.81 2.27 8 22 -2 5.64 1.86 -8 -22 2 7.55 1.99 8 22 -2 4.87 1.89 22 -8 2 6.74 1.62 -22 8 2 5.54 1.73 22 -7 1 72.77 5.06 7 22 -1 77.01 5.58 22 -7 1 68.42 4.97 22 -7 -1 73.83 5.61 22 -7 1 77.69 5.61 7 22 1 74.58 5.60 -7 -22 3 5.79 1.45 22 -6 0 30.47 3.54 22 -6 0 26.33 3.93 6 22 2 14.02 2.70 22 -6 -2 9.61 2.25 6 22 -2 16.93 2.87 22 -6 2 16.66 2.58 6 22 -2 10.74 2.43 22 -5 1 79.84 5.64 5 22 -1 82.39 6.06 22 -5 -1 76.78 5.90 22 -5 1 68.54 5.63 5 22 1 80.17 6.15 -5 -22 3 4.53 1.56 5 22 -3 4.90 1.62 -22 5 3 4.17 1.60 5 22 -3 7.14 1.93 4 22 0 15.89 3.19 22 -4 0 12.82 3.02 22 -4 2 60.18 4.62 22 -4 -2 49.17 4.18 22 -4 2 52.98 4.35 4 22 2 59.15 5.07 4 22 -2 50.07 4.46 3 22 1 9.61 3.04 22 -3 1 13.26 2.92 22 -3 -1 11.99 3.04 22 -3 1 14.95 3.10 3 22 -1 12.75 3.11 22 -3 -1 12.22 2.53 3 22 -1 8.95 2.27 3 22 -3 21.16 2.58 -22 3 3 19.62 2.73 3 22 -3 16.19 2.48 2 22 0 -0.42 2.24 22 -2 0 -1.28 2.38 22 -2 0 -1.79 1.85 2 22 -2 69.64 5.36 22 -2 2 60.44 4.98 2 22 -2 60.55 5.05 2 22 2 65.34 5.53 22 -1 1 12.46 2.92 1 22 1 16.61 2.98 22 -1 -1 13.13 3.11 22 -1 1 12.28 3.28 22 -1 -1 15.98 2.80 1 22 -1 15.81 2.90 1 22 -3 10.92 2.10 22 -1 3 9.78 2.01 22 0 0 24.76 3.90 0 22 0 17.82 3.56 22 0 0 18.30 3.21 0 22 2 2.02 2.41 0 22 2 1.96 1.77 22 0 2 2.67 1.99 0 22 -2 1.40 2.06 22 0 2 2.02 2.08 22 0 -2 2.92 1.62 0 22 -2 3.44 2.15 -1 22 1 162.55 8.52 -1 22 -1 164.09 9.44 22 1 -1 179.37 9.01 22 1 -1 161.37 9.17 22 1 1 164.17 9.17 -1 22 -1 162.01 8.67 -1 22 1 188.09 10.24 -1 22 3 33.17 3.21 -1 22 -3 34.29 3.08 -22 -1 3 32.07 3.41 22 2 0 -0.43 2.32 22 2 0 1.89 2.01 -2 22 2 17.49 3.32 -2 22 2 14.38 2.71 -2 22 -2 8.07 2.43 22 2 2 14.13 2.75 22 2 -2 11.20 2.26 22 2 -2 12.88 2.49 -2 22 -2 7.95 2.39 -3 22 1 122.62 7.13 22 3 1 135.81 7.86 -3 22 -1 143.16 8.43 22 3 -1 118.58 7.27 22 3 -1 134.89 7.82 -3 22 1 147.13 8.87 -3 22 3 28.85 2.91 -3 22 -3 25.80 2.47 22 3 -3 19.60 2.17 -22 -3 3 23.54 2.91 -4 22 0 11.31 3.25 22 4 0 13.03 2.91 -4 22 2 6.64 2.53 -4 22 2 5.77 2.15 -4 22 -2 4.30 2.01 22 4 2 5.41 2.13 22 4 -2 6.71 2.03 22 4 -2 5.22 1.96 -4 22 -2 4.69 2.05 -5 22 1 2.85 2.30 -5 22 1 4.36 1.88 22 5 1 4.01 2.23 -5 22 -1 6.03 2.56 22 5 -1 7.07 2.42 22 5 -1 3.46 1.96 -5 22 3 16.64 2.27 22 5 -3 16.28 1.96 -22 -5 3 13.79 2.07 22 6 0 22.24 3.18 -6 22 2 54.22 4.43 -6 22 -2 60.12 4.37 6 -22 -2 55.41 4.13 6 -22 2 52.81 4.11 22 6 2 62.47 4.44 22 6 -2 66.82 4.64 22 6 -2 65.30 4.75 -22 -6 2 75.87 5.14 -6 22 2 62.37 4.95 -7 22 1 13.04 2.82 -7 22 1 11.47 2.30 22 7 1 11.08 2.36 22 7 1 14.40 2.55 22 7 -1 17.13 2.86 -7 22 3 15.79 2.07 22 7 -3 20.01 2.07 -7 22 -3 20.72 2.42 22 8 0 126.18 6.76 22 8 0 126.28 7.15 -8 22 2 5.65 1.87 22 8 -2 6.78 1.84 22 8 -2 3.04 1.62 -22 -8 2 3.45 1.59 -9 22 1 3.30 1.71 22 9 -1 2.86 1.73 9 -22 -1 0.30 1.89 9 -22 1 1.21 2.08 22 10 0 1.06 1.54 10 -22 0 -1.27 2.20 -10 22 2 8.61 1.74 22 10 -2 5.61 1.72 22 11 -1 3.79 1.50 11 -22 -1 3.81 1.84 11 -22 1 6.88 2.23 22 11 -1 2.78 1.53 12 -22 0 0.26 1.62 22 12 0 2.90 1.40 22 12 -2 9.80 1.59 22 12 -2 6.69 1.44 22 13 -1 19.97 2.19 13 -22 -1 18.55 2.33 13 -22 1 18.05 2.42 22 13 -1 15.63 1.93 14 -22 0 27.85 2.76 -23 13 0 1.96 1.30 23 -13 0 0.54 1.22 -23 12 1 6.05 1.44 -23 12 -1 7.21 1.58 23 -12 -1 8.30 1.65 23 -12 1 8.22 1.61 23 -11 0 6.73 2.08 -10 -23 1 14.93 2.10 23 -10 -1 17.81 2.43 23 -10 1 13.54 2.27 23 -9 0 76.77 5.27 9 23 -2 28.54 2.59 -9 -23 2 25.46 2.51 8 23 -1 12.34 2.34 23 -8 1 13.43 2.14 23 -8 -1 11.43 2.40 23 -8 1 14.06 2.48 7 23 0 71.78 4.86 23 -7 0 65.23 4.66 23 -7 0 69.39 5.42 7 23 0 75.03 5.31 7 23 -2 40.70 3.52 -7 -23 2 36.58 3.28 23 -7 2 36.19 2.91 -23 7 2 36.37 3.07 6 23 1 10.70 2.60 23 -6 1 8.08 2.16 6 23 -1 11.85 2.76 23 -6 -1 9.27 2.52 23 -6 1 7.64 2.46 23 -6 1 11.17 2.34 6 23 -3 24.19 2.11 23 -5 0 4.51 1.86 5 23 0 6.04 2.19 23 -5 0 7.96 2.62 23 -5 2 45.16 3.68 -23 5 2 49.16 4.07 5 23 2 47.97 4.10 5 23 -2 46.85 3.73 4 23 1 20.89 3.36 23 -4 1 16.63 2.73 23 -4 -1 21.41 3.22 23 -4 1 15.53 2.98 4 23 -1 17.24 3.07 4 23 -3 8.20 1.65 -23 4 3 10.50 1.67 3 23 0 37.47 4.20 23 -3 0 30.97 3.72 23 -3 0 35.45 4.29 3 23 2 16.37 2.83 3 23 -2 20.73 2.98 23 -3 2 17.99 2.64 3 23 -2 19.44 2.70 2 23 1 21.06 3.65 23 -2 1 25.05 3.31 23 -2 -1 13.65 3.10 23 -2 1 19.76 3.42 23 -2 -1 20.35 2.83 2 23 -3 41.27 3.04 -23 2 3 40.89 3.18 2 23 -3 40.29 3.09 23 -1 0 5.28 2.28 23 -1 0 6.29 2.60 1 23 0 4.62 2.44 23 -1 0 5.29 2.18 1 23 -2 28.93 3.53 23 -1 2 25.58 3.05 23 -1 -2 20.83 2.43 1 23 -2 29.40 3.28 0 23 1 33.30 4.29 0 23 -1 43.73 4.65 23 0 1 33.78 3.90 23 0 -1 35.26 4.01 23 0 1 30.82 3.96 23 0 -1 35.05 3.70 0 23 -3 53.78 3.38 -23 0 3 49.14 3.67 0 23 -3 58.07 3.79 23 1 0 0.79 2.14 23 1 0 -0.68 1.92 -1 23 2 1.38 2.09 -1 23 2 3.50 1.87 -1 23 -2 2.09 2.03 23 1 -2 2.73 1.55 -1 23 -2 4.25 2.00 -2 23 1 69.65 4.95 -2 23 -1 93.81 6.54 23 2 -1 87.14 5.72 -2 23 -1 73.02 5.17 -2 23 1 81.62 6.37 -23 -2 3 88.69 4.91 -2 23 -3 107.51 5.24 23 3 0 228.46 10.45 23 3 0 213.55 10.14 -3 23 2 11.13 2.73 -3 23 2 4.37 1.86 -3 23 -2 4.65 2.01 23 3 2 9.61 2.19 23 3 -2 6.48 1.76 -3 23 -2 7.80 2.11 -4 23 1 23.19 3.62 -4 23 1 14.31 2.36 23 4 1 18.52 2.97 -4 23 -1 19.64 3.18 23 4 -1 17.28 2.75 -4 23 -1 10.57 2.32 -4 23 3 22.32 2.22 -23 -4 3 24.00 2.32 23 5 0 69.34 5.09 -5 23 2 37.03 3.34 -5 23 -2 35.84 3.34 23 5 2 35.51 3.28 23 5 -2 39.70 3.28 23 5 -2 40.89 3.50 -23 -5 2 34.14 3.53 -5 23 -2 33.96 3.47 -5 23 2 42.55 3.95 23 6 1 57.48 4.32 23 6 1 57.11 4.36 23 6 -1 61.34 4.55 23 6 -1 49.85 4.33 -6 23 1 55.81 4.78 -7 23 0 24.25 3.33 23 7 0 24.61 2.95 23 7 0 19.97 2.87 -7 23 2 1.02 1.34 23 7 -2 2.22 1.50 23 7 -2 1.09 1.36 -23 -7 2 1.11 1.26 -7 23 -2 0.23 1.41 -8 23 1 6.06 1.86 23 8 -1 7.90 2.02 8 -23 -1 8.38 2.35 8 -23 1 4.57 1.89 9 -23 0 84.45 5.56 23 9 0 84.28 5.14 -9 23 2 52.13 3.37 23 9 -2 56.02 3.49 23 9 -2 47.56 3.41 10 -23 -1 8.11 2.01 10 -23 1 6.52 1.88 23 10 -1 6.98 1.76 11 -23 0 169.69 7.62 23 11 0 152.29 6.71 12 -23 -1 6.52 1.56 12 -23 1 8.36 1.58 13 -23 0 23.58 2.45 24 -12 0 19.63 2.08 24 -11 -1 18.10 1.92 24 -11 1 23.01 2.05 24 -10 0 25.11 2.81 -9 -24 1 1.60 1.19 24 -9 -1 0.38 1.47 24 -9 1 1.91 1.51 24 -8 0 22.44 2.33 24 -8 0 27.96 3.12 8 24 -2 1.40 1.08 7 24 1 3.22 1.70 24 -7 -1 2.94 1.38 24 -7 -1 2.58 1.78 24 -7 1 3.26 1.79 7 24 -1 2.62 1.58 24 -7 1 4.59 1.49 6 24 0 41.39 3.59 24 -6 0 48.83 3.73 24 -6 0 42.95 4.09 6 24 0 48.90 4.17 -6 -24 2 8.59 1.70 6 24 -2 6.98 1.73 -24 6 2 5.00 1.58 5 24 1 10.13 2.32 24 -5 -1 10.64 2.09 24 -5 1 8.14 1.87 24 -5 -1 6.96 2.09 24 -5 1 6.62 2.10 5 24 -1 6.51 2.16 24 -5 1 4.27 1.73 24 -4 0 25.12 3.06 4 24 0 27.60 3.31 24 -4 0 25.68 3.44 24 -4 2 24.49 2.55 -24 4 2 23.10 2.74 4 24 2 25.93 2.91 3 24 1 26.13 3.51 24 -3 1 19.78 2.76 24 -3 -1 29.48 3.38 24 -3 1 27.98 3.29 24 -3 1 29.86 3.28 3 24 -1 32.16 3.52 24 -2 0 9.77 2.58 2 24 0 8.88 2.49 2 24 -2 65.53 4.54 24 -2 2 74.74 4.51 2 24 2 63.49 4.68 2 24 -2 59.46 3.99 24 -1 1 4.30 1.79 24 -1 -1 1.92 1.47 0 24 0 41.33 4.40 24 0 0 49.29 4.30 24 0 0 46.25 4.66 0 24 -2 58.24 4.36 24 0 2 54.57 4.09 24 0 -2 53.21 3.38 -24 0 2 67.66 4.66 0 24 2 59.32 4.63 0 24 -2 55.99 3.86 -1 24 1 30.20 3.91 -1 24 -1 35.38 3.86 24 1 -1 32.14 3.29 24 2 0 1.47 1.61 -2 24 2 17.26 2.75 -2 24 -2 17.15 2.47 24 2 2 15.38 2.30 24 2 -2 15.99 2.07 -24 -2 2 17.92 2.64 -2 24 -2 13.47 2.09 -3 24 1 24.31 3.34 24 3 1 19.02 2.73 -3 24 -1 21.16 3.13 24 3 1 18.49 2.71 24 3 -1 23.61 2.90 24 4 0 3.55 1.73 24 4 0 5.39 1.97 -4 24 2 4.84 1.89 -4 24 2 3.51 1.48 24 4 2 3.88 1.55 24 4 -2 5.54 1.49 -24 -4 2 5.97 1.81 -4 24 -2 2.40 1.30 -5 24 1 18.03 2.83 24 5 1 13.21 2.28 24 5 1 13.60 2.28 24 5 -1 21.11 2.65 -6 24 0 11.80 2.48 24 6 0 14.14 2.30 24 6 -2 3.81 1.25 -24 -6 2 4.00 1.43 -6 24 -2 2.83 1.37 -7 24 1 2.41 1.65 24 7 -1 0.74 1.14 24 7 -1 2.94 1.68 7 -24 -1 0.92 1.60 7 -24 1 2.05 1.62 8 -24 0 103.74 5.81 24 8 0 94.38 5.19 9 -24 -1 8.91 1.90 9 -24 1 5.26 1.62 24 9 -1 6.85 1.61 10 -24 0 0.62 1.53 11 -24 -1 46.78 2.98 11 -24 1 50.29 3.02 12 -24 0 7.85 1.52 25 -9 0 0.34 1.23 25 -8 -1 48.29 3.15 25 -8 1 50.85 3.19 25 -7 0 84.28 4.94 6 25 -1 27.92 2.60 25 -6 1 23.78 2.30 25 -6 -1 26.11 2.60 25 -6 1 25.29 2.65 6 25 1 29.60 2.66 6 25 -1 30.17 2.59 5 25 0 17.54 2.56 25 -5 0 15.63 2.19 25 -5 0 14.39 2.44 5 25 -2 13.59 1.77 4 25 1 3.55 1.72 25 -4 -1 2.71 1.39 25 -4 1 2.74 1.33 25 -4 -1 4.53 1.75 25 -4 1 5.13 1.71 4 25 -1 3.39 1.68 25 -4 1 3.78 1.56 3 25 0 5.02 2.06 25 -3 0 2.76 1.58 25 -3 0 3.24 1.87 3 25 -2 21.08 2.31 -25 3 2 20.76 2.19 2 25 1 2.95 1.86 25 -2 -1 1.32 1.39 25 -2 1 3.78 1.61 2 25 -1 1.27 1.74 25 -2 1 2.93 1.77 25 -1 0 54.78 4.12 1 25 -2 85.60 4.54 25 -1 2 76.86 4.26 0 25 -1 32.38 3.39 25 0 -1 33.09 3.13 25 0 1 36.10 3.25 25 0 1 38.77 3.41 0 25 1 35.55 3.63 -1 25 0 114.38 6.70 -1 25 -2 2.24 1.26 -25 -1 2 4.22 1.59 -1 25 2 5.00 1.63 25 2 1 45.98 3.63 25 2 -1 38.62 3.25 -2 25 1 41.00 3.76 25 3 0 356.42 13.00 -3 25 0 365.64 13.75 -25 -3 2 6.50 1.53 -4 25 1 12.52 2.28 25 4 -1 13.68 1.98 25 4 1 12.88 1.95 25 4 1 10.03 1.95 25 4 -1 15.22 2.12 25 5 0 32.64 2.94 -5 25 0 31.53 3.17 -6 25 1 10.66 1.87 -6 25 -1 14.41 1.96 25 6 -1 14.20 1.77 25 6 -1 16.81 2.07 6 -25 -1 11.58 1.97 6 -25 1 10.47 1.92 -7 25 0 2.19 1.39 7 -25 0 2.51 1.57 8 -25 -1 47.72 3.04 8 -25 1 43.27 2.98 9 -25 0 -0.34 1.23 26 -6 0 1.97 1.28 4 26 0 3.84 1.48 26 -4 0 8.44 1.49 26 -4 0 6.82 1.48 26 -3 1 39.24 2.83 3 26 1 40.75 3.10 3 26 -1 36.33 2.98 26 -2 0 24.70 2.47 2 26 0 29.03 2.88 26 -1 -1 5.67 1.56 26 -1 1 6.30 1.56 0 26 0 3.24 1.69 26 0 0 2.87 1.35 -1 26 1 3.29 1.61 26 2 0 74.25 4.23 -2 26 0 73.00 4.62 -3 26 1 4.81 1.55 -3 26 -1 4.46 1.50 26 3 -1 5.17 1.32 26 3 1 5.69 1.38 26 4 0 360.13 11.72 26 4 0 350.89 11.63 -4 26 0 334.79 12.07 5 -26 1 8.50 1.50 6 -26 0 0.16 1.22 -1 27 0 13.92 1.81 0 0 0 0.00 0.00 TITL 4PYBdan1_auto in I4/m REM I4/m (#87 in standard setting) CELL 1.54184 21.565903 21.565903 5.086325 90.0000 90.0000 90.0000 ZERR 7.00 0.000329 0.000329 0.000119 0.0000 0.0000 0.0000 LATT 2 SYMM -x,-y, z SYMM -y, x, z SYMM y,-x, z SFAC C H B N UNIT 105.00 84.00 7.00 21.00 REM CrysAlisPro recorded range (K): Min=100.0; max=100.0; aver:100.0 TEMP -173 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 33436 _shelx_res_file ; TITL 4PYBdan1_auto in I-4 #82 CELL 1.54184 21.5659 21.5659 5.0863 90 90 90 ZERR 8 0.0003 0.0003 0.0001 0 0 0 LATT -2 SYMM +Y,-X,-Z SYMM -X,-Y,+Z SYMM -Y,+X,-Z SFAC C H N B UNIT 120 96 24 8 L.S. 10 0 0 PLAN 2 SIZE 0.2 0.05 0.05 TEMP -173 CONF BOND fmap 2 53 MORE -1 BOND $H ACTA REM REM REM WGHT 0.050200 0.178900 FVAR 0.42071 N3 3 0.200411 0.031499 -0.004094 11.00000 0.02358 0.02382 = 0.02254 -0.00032 -0.00041 0.00170 C7 1 0.288675 0.154970 0.513201 11.00000 0.02725 0.02523 = 0.02326 0.00251 -0.00006 0.00159 AFIX 43 H7 2 0.332368 0.160393 0.507136 11.00000 -1.20000 AFIX 0 C1 1 0.392646 -0.017772 -0.506260 11.00000 0.02292 0.02633 = 0.03174 0.00040 0.00164 0.00038 AFIX 43 H1 2 0.431493 -0.003178 -0.568928 11.00000 -1.20000 AFIX 0 N2 3 0.293945 0.079336 0.158717 11.00000 0.02028 0.02249 = 0.02229 0.00085 0.00121 0.00122 C13 1 0.100218 0.058949 0.182047 11.00000 0.02537 0.02604 = 0.02865 0.00416 0.00023 -0.00007 AFIX 43 H13 2 0.079731 0.032355 0.061113 11.00000 -1.20000 AFIX 0 C10 1 0.158947 0.140424 0.537559 11.00000 0.03125 0.02351 = 0.02164 0.00677 0.00423 0.00579 C15 1 0.194549 0.106415 0.349052 11.00000 0.02620 0.02017 = 0.01927 0.00530 0.00217 0.00455 C5 1 0.315733 -0.089471 -0.512920 11.00000 0.02724 0.02450 = 0.03010 -0.00433 -0.00204 -0.00080 AFIX 43 H5 2 0.298892 -0.127018 -0.579573 11.00000 -1.20000 AFIX 0 C6 1 0.260121 0.114207 0.341449 11.00000 0.02698 0.02005 = 0.01827 0.00504 0.00162 0.00269 C14 1 0.163867 0.065134 0.172825 11.00000 0.02705 0.02095 = 0.02138 0.00569 0.00181 0.00255 C11 1 0.093634 0.131340 0.545188 11.00000 0.03013 0.02834 = 0.02782 0.00679 0.00938 0.00881 AFIX 43 H11 2 0.069325 0.152653 0.672058 11.00000 -1.20000 AFIX 0 B1 4 0.265790 0.037531 -0.018090 11.00000 0.02545 0.01940 = 0.02120 0.00408 0.00008 0.00270 C3 1 0.304108 -0.001456 -0.224245 11.00000 0.02272 0.02282 = 0.02037 0.00173 -0.00335 0.00298 C4 1 0.281474 -0.057011 -0.327137 11.00000 0.02229 0.02740 = 0.02899 -0.00001 -0.00025 -0.00081 AFIX 43 H4 2 0.242561 -0.072653 -0.269997 11.00000 -1.20000 AFIX 0 C12 1 0.065637 0.091913 0.369982 11.00000 0.02477 0.02904 = 0.03191 0.00917 0.00505 0.00437 AFIX 43 H12 2 0.021908 0.086776 0.375805 11.00000 -1.20000 AFIX 0 N1 3 0.370869 -0.071176 -0.603641 11.00000 0.02723 0.02630 = 0.02699 -0.00345 -0.00151 0.00383 C2 1 0.361836 0.017557 -0.319118 11.00000 0.02528 0.02103 = 0.02760 -0.00122 -0.00090 -0.00092 AFIX 43 H2A 2 0.380061 0.054745 -0.255464 11.00000 -1.20000 AFIX 0 C9 1 0.190056 0.181270 0.710940 11.00000 0.03828 0.02426 = 0.02051 0.00138 0.00423 0.00916 AFIX 43 H9 2 0.167044 0.203905 0.838041 11.00000 -1.20000 AFIX 0 C8 1 0.253101 0.188413 0.696871 11.00000 0.03870 0.02233 = 0.02261 0.00097 -0.00193 0.00352 AFIX 43 H8 2 0.273166 0.216442 0.813167 11.00000 -1.20000 AFIX 0 H3 2 0.180397 0.005833 -0.124768 11.00000 0.04157 H2 2 0.336380 0.087018 0.166713 11.00000 0.02821 HKLF 4 REM 4PYBdan1_auto in I-4 #82 REM R1 = 0.0314 for 2125 Fo > 4sig(Fo) and 0.0341 for all 2268 data REM 180 parameters refined using 0 restraints END WGHT 0.0489 0.2065 REM Highest difference peak 0.152, deepest hole -0.155, 1-sigma level 0.035 Q1 1 0.2863 0.0197 -0.1386 11.00000 0.05 0.15 Q2 1 0.1767 0.1166 0.4714 11.00000 0.05 0.13 ; _shelx_res_checksum 65534 _shelxl_version_number 20.13 loop_ _space_group_symop_operation_xyz 'x, y, z' 'y, -x, -z' '-x, -y, z' '-y, x, -z' 'x+1/2, y+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-x+1/2, -y+1/2, z+1/2' '-y+1/2, x+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 N N3 0.20041(7) 0.03150(8) -0.0041(4) 0.0233(4) Uani d 1 . . C C7 0.28868(9) 0.15497(9) 0.5132(4) 0.0252(4) Uani d 1 . . H H7 0.3324 0.1604 0.5071 0.030 Uiso calc 1 . . C C1 0.39265(9) -0.01777(9) -0.5063(4) 0.0270(4) Uani d 1 . . H H1 0.4315 -0.0032 -0.5689 0.032 Uiso calc 1 . . N N2 0.29394(8) 0.07934(7) 0.1587(3) 0.0217(3) Uani d 1 . . C C13 0.10022(9) 0.05895(9) 0.1820(4) 0.0267(4) Uani d 1 . . H H13 0.0797 0.0324 0.0611 0.032 Uiso calc 1 . . C C10 0.15895(9) 0.14042(9) 0.5376(4) 0.0255(4) Uani d 1 . . C C15 0.19455(9) 0.10642(8) 0.3491(4) 0.0219(4) Uani d 1 . . C C5 0.31573(9) -0.08947(9) -0.5129(4) 0.0273(4) Uani d 1 . . H H5 0.2989 -0.1270 -0.5796 0.033 Uiso calc 1 . . C C6 0.26012(9) 0.11421(8) 0.3414(4) 0.0218(4) Uani d 1 . . C C14 0.16387(9) 0.06513(9) 0.1728(4) 0.0231(4) Uani d 1 . . C C11 0.09363(10) 0.13134(9) 0.5452(4) 0.0288(5) Uani d 1 . . H H11 0.0693 0.1527 0.6721 0.035 Uiso calc 1 . . B B1 0.26579(10) 0.03753(10) -0.0181(4) 0.0220(4) Uani d 1 . . C C3 0.30411(9) -0.00146(9) -0.2242(4) 0.0220(4) Uani d 1 . . C C4 0.28147(9) -0.05701(9) -0.3271(4) 0.0262(4) Uani d 1 . . H H4 0.2426 -0.0727 -0.2700 0.031 Uiso calc 1 . . C C12 0.06564(9) 0.09191(9) 0.3700(4) 0.0286(5) Uani d 1 . . H H12 0.0219 0.0868 0.3758 0.034 Uiso calc 1 . . N N1 0.37087(8) -0.07118(8) -0.6036(3) 0.0268(4) Uani d 1 . . C C2 0.36184(9) 0.01756(9) -0.3191(4) 0.0246(4) Uani d 1 . . H H2A 0.3801 0.0547 -0.2555 0.030 Uiso calc 1 . . C C9 0.19006(10) 0.18127(9) 0.7109(4) 0.0277(5) Uani d 1 . . H H9 0.1670 0.2039 0.8380 0.033 Uiso calc 1 . . C C8 0.25310(10) 0.18841(9) 0.6969(4) 0.0279(4) Uani d 1 . . H H8 0.2732 0.2164 0.8132 0.033 Uiso calc 1 . . H H3 0.1804(12) 0.0058(12) -0.125(6) 0.042(7) Uiso d 1 . . H H2 0.3364(11) 0.0870(10) 0.167(5) 0.028(6) Uiso 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 N3 0.0236(8) 0.0238(8) 0.0225(8) 0.0017(6) -0.0004(7) -0.0003(7) C7 0.0272(9) 0.0252(9) 0.0233(10) 0.0016(8) -0.0001(8) 0.0025(8) C1 0.0229(9) 0.0263(9) 0.0317(10) 0.0004(8) 0.0016(9) 0.0004(9) N2 0.0203(8) 0.0225(7) 0.0223(8) 0.0012(6) 0.0012(7) 0.0008(7) C13 0.0254(10) 0.0260(9) 0.0287(10) -0.0001(8) 0.0002(9) 0.0042(9) C10 0.0313(10) 0.0235(9) 0.0216(10) 0.0058(8) 0.0042(8) 0.0068(8) C15 0.0262(9) 0.0202(8) 0.0193(9) 0.0045(7) 0.0022(8) 0.0053(7) C5 0.0272(10) 0.0245(9) 0.0301(10) -0.0008(8) -0.0020(9) -0.0043(8) C6 0.0270(9) 0.0200(8) 0.0183(9) 0.0027(7) 0.0016(8) 0.0050(8) C14 0.0271(9) 0.0209(9) 0.0214(9) 0.0025(7) 0.0018(8) 0.0057(8) C11 0.0301(10) 0.0283(10) 0.0278(11) 0.0088(8) 0.0094(9) 0.0068(8) B1 0.0254(10) 0.0194(9) 0.0212(10) 0.0027(8) 0.0001(9) 0.0041(9) C3 0.0227(9) 0.0228(9) 0.0204(9) 0.0030(7) -0.0033(7) 0.0017(7) C4 0.0223(9) 0.0274(9) 0.0290(10) -0.0008(8) -0.0003(8) 0.0000(9) C12 0.0248(9) 0.0290(10) 0.0319(11) 0.0044(8) 0.0051(9) 0.0092(9) N1 0.0272(9) 0.0263(8) 0.0270(9) 0.0038(7) -0.0015(7) -0.0034(7) C2 0.0253(9) 0.0210(9) 0.0276(10) -0.0009(8) -0.0009(8) -0.0012(8) C9 0.0383(11) 0.0243(10) 0.0205(10) 0.0092(8) 0.0042(9) 0.0014(8) C8 0.0387(11) 0.0223(9) 0.0226(10) 0.0035(8) -0.0019(9) 0.0010(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0090 0.0039 '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 C14 N3 B1 . . 123.02(17) ? C14 N3 H3 . . 118.1(17) ? B1 N3 H3 . . 118.8(17) ? C6 C7 H7 . . 119.9 ? C6 C7 C8 . . 120.13(18) ? C8 C7 H7 . . 119.9 ? N1 C1 H1 . . 118.0 ? N1 C1 C2 . . 123.90(18) ? C2 C1 H1 . . 118.0 ? C6 N2 B1 . . 122.82(16) ? C6 N2 H2 . . 112.8(15) ? B1 N2 H2 . . 124.4(15) ? C14 C13 H13 . . 119.9 ? C14 C13 C12 . . 120.1(2) ? C12 C13 H13 . . 119.9 ? C11 C10 C15 . . 118.62(19) ? C9 C10 C15 . . 118.83(18) ? C9 C10 C11 . . 122.54(18) ? C6 C15 C10 . . 119.37(18) ? C6 C15 C14 . . 121.14(17) ? C14 C15 C10 . . 119.49(17) ? C4 C5 H5 . . 118.0 ? N1 C5 H5 . . 118.0 ? N1 C5 C4 . . 124.06(18) ? C7 C6 N2 . . 121.89(17) ? C7 C6 C15 . . 119.97(17) ? N2 C6 C15 . . 118.14(16) ? N3 C14 C15 . . 117.81(16) ? C13 C14 N3 . . 122.15(18) ? C13 C14 C15 . . 120.03(18) ? C10 C11 H11 . . 119.9 ? C12 C11 C10 . . 120.23(18) ? C12 C11 H11 . . 119.9 ? N3 B1 C3 . . 120.36(18) ? N2 B1 N3 . . 117.04(18) ? N2 B1 C3 . . 122.60(17) ? C4 C3 B1 . . 121.57(17) ? C4 C3 C2 . . 115.74(18) ? C2 C3 B1 . . 122.68(17) ? C5 C4 C3 . . 120.12(18) ? C5 C4 H4 . . 119.9 ? C3 C4 H4 . . 119.9 ? C13 C12 H12 . . 119.3 ? C11 C12 C13 . . 121.46(18) ? C11 C12 H12 . . 119.3 ? C5 N1 C1 . . 116.03(17) ? C1 C2 C3 . . 120.15(17) ? C1 C2 H2A . . 119.9 ? C3 C2 H2A . . 119.9 ? C10 C9 H9 . . 119.7 ? C8 C9 C10 . . 120.51(19) ? C8 C9 H9 . . 119.7 ? C7 C8 H8 . . 119.4 ? C9 C8 C7 . . 121.19(19) ? C9 C8 H8 . . 119.4 ? 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 N3 C14 . 1.399(3) ? N3 B1 . 1.418(3) ? N3 H3 . 0.93(3) ? C7 H7 . 0.9500 ? C7 C6 . 1.384(3) ? C7 C8 . 1.408(3) ? C1 H1 . 0.9500 ? C1 N1 . 1.339(3) ? C1 C2 . 1.389(3) ? N2 C6 . 1.401(2) ? N2 B1 . 1.411(3) ? N2 H2 . 0.93(2) ? C13 H13 . 0.9500 ? C13 C14 . 1.380(3) ? C13 C12 . 1.405(3) ? C10 C15 . 1.431(3) ? C10 C11 . 1.423(3) ? C10 C9 . 1.416(3) ? C15 C6 . 1.425(3) ? C15 C14 . 1.426(3) ? C5 H5 . 0.9500 ? C5 C4 . 1.389(3) ? C5 N1 . 1.335(3) ? C11 H11 . 0.9500 ? C11 C12 . 1.372(3) ? B1 C3 . 1.578(3) ? C3 C4 . 1.396(3) ? C3 C2 . 1.397(3) ? C4 H4 . 0.9500 ? C12 H12 . 0.9500 ? C2 H2A . 0.9500 ? C9 H9 . 0.9500 ? C9 C8 . 1.370(3) ? C8 H8 . 0.9500 ? 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 N2 H2 N1 6_554 0.93(2) 2.21(2) 3.113(2) 162(2) 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 N3 B1 C3 C4 . . . . -23.9(3) ? N3 B1 C3 C2 . . . . 154.92(19) ? N2 B1 C3 C4 . . . . 156.09(19) ? N2 B1 C3 C2 . . . . -25.1(3) ? C10 C15 C6 C7 . . . . -0.8(3) ? C10 C15 C6 N2 . . . . 178.65(16) ? C10 C15 C14 N3 . . . . -178.38(17) ? C10 C15 C14 C13 . . . . 1.0(3) ? C10 C11 C12 C13 . . . . 0.9(3) ? C10 C9 C8 C7 . . . . -0.8(3) ? C15 C10 C11 C12 . . . . -1.7(3) ? C15 C10 C9 C8 . . . . 0.5(3) ? C6 C7 C8 C9 . . . . 0.3(3) ? C6 N2 B1 N3 . . . . -0.3(3) ? C6 N2 B1 C3 . . . . 179.77(16) ? C6 C15 C14 N3 . . . . 1.4(3) ? C6 C15 C14 C13 . . . . -179.24(18) ? C14 N3 B1 N2 . . . . 0.6(3) ? C14 N3 B1 C3 . . . . -179.47(17) ? C14 C13 C12 C11 . . . . 0.9(3) ? C14 C15 C6 C7 . . . . 179.45(17) ? C14 C15 C6 N2 . . . . -1.1(3) ? C11 C10 C15 C6 . . . . -179.01(17) ? C11 C10 C15 C14 . . . . 0.7(3) ? C11 C10 C9 C8 . . . . 179.81(19) ? B1 N3 C14 C13 . . . . 179.50(19) ? B1 N3 C14 C15 . . . . -1.1(3) ? B1 N2 C6 C7 . . . . 179.99(18) ? B1 N2 C6 C15 . . . . 0.5(3) ? B1 C3 C4 C5 . . . . 178.49(18) ? B1 C3 C2 C1 . . . . -178.13(18) ? C4 C5 N1 C1 . . . . -0.6(3) ? C4 C3 C2 C1 . . . . 0.7(3) ? C12 C13 C14 N3 . . . . 177.53(17) ? C12 C13 C14 C15 . . . . -1.8(3) ? N1 C1 C2 C3 . . . . -1.1(3) ? N1 C5 C4 C3 . . . . 0.3(3) ? C2 C1 N1 C5 . . . . 0.9(3) ? C2 C3 C4 C5 . . . . -0.4(3) ? C9 C10 C15 C6 . . . . 0.3(3) ? C9 C10 C15 C14 . . . . -179.93(16) ? C9 C10 C11 C12 . . . . 179.00(18) ? C8 C7 C6 N2 . . . . -178.96(17) ? C8 C7 C6 C15 . . . . 0.5(3) ?