#------------------------------------------------------------------------------ #$Date: 2023-09-09 04:38:12 +0300 (Sat, 09 Sep 2023) $ #$Revision: 286287 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/28/2022858.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_2022858 loop_ _publ_author_name 'Yousra, Seqqat' 'El Ghayati, Lhoussaine' 'H\"okelek, Tuncer' 'Ouazzani Chahdi, Fouad' 'Mague, Joel T.' 'Kandri Rodi, Youssef' 'Sebbar, Nada Kheira' _publ_section_title ; Crystal structure and Hirshfeld surface analysis of 3-ethoxy-1-ethyl-6-nitroquinoxalin-2(1H)-one ; _journal_coeditor_code HB8072 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989023007624 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac 'C12 H13 N3 O4' _chemical_formula_moiety 'C12 H13 N3 O4' _chemical_formula_sum 'C12 H13 N3 O4' _chemical_formula_weight 263.25 _chemical_name_systematic ; 3-Ethoxy-1-ethyl-6-nitroquinoxalin-2(1H)-one ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/1 _cell_angle_alpha 90 _cell_angle_beta 116.4240(10) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 14.4848(3) _cell_length_b 12.5663(2) _cell_length_c 15.2708(3) _cell_measurement_reflns_used 9131 _cell_measurement_temperature 240(2) _cell_measurement_theta_max 74.460 _cell_measurement_theta_min 3.556 _cell_volume 2489.20(8) _computing_cell_refinement ; SAINT (Bruker, 2021) ; _computing_data_collection ; APEX4 (Bruker, 2021) ; _computing_data_reduction ; SAINT (Bruker, 2021) ; _computing_molecular_graphics ; DIAMOND (Brandenburg & Putz, 2012) ; _computing_publication_material ; SHELXTL (Sheldrick, 2008) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 240(2) _diffrn_detector_area_resol_mean 7.3910 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device 'Bruker D8 VENTURE PHOTON 3 CPAD' _diffrn_measurement_device_type 'Bruker D8 VENTURE PHOTON 3 CPAD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator mirror _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0313 _diffrn_reflns_av_unetI/netI 0.0126 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 66682 _diffrn_reflns_theta_full 74.550 _diffrn_reflns_theta_max 74.576 _diffrn_reflns_theta_min 3.500 _diffrn_source 'INCOATEC I\mS micro--focus source' _diffrn_source_current 1.0 _diffrn_source_power 0.05 _diffrn_source_voltage 50 _exptl_absorpt_coefficient_mu 0.907 _exptl_absorpt_correction_T_max 0.93 _exptl_absorpt_correction_T_min 0.81 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.405 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 1104 _exptl_crystal_size_max 0.248 _exptl_crystal_size_mid 0.163 _exptl_crystal_size_min 0.086 _refine_diff_density_max 0.313 _refine_diff_density_min -0.239 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 355 _refine_ls_number_reflns 5082 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.043 _refine_ls_R_factor_all 0.0553 _refine_ls_R_factor_gt 0.0473 _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^)+(0.0675P)^2^+0.6230P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1260 _refine_ls_wR_factor_ref 0.1374 _reflns_number_gt 4257 _reflns_number_total 5082 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file hb8072sup1.cif _cod_data_source_block I _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 2022858 _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 0.806 _shelx_estimated_absorpt_t_max 0.926 _shelx_hkl_file ; 1 0 0 0.20 0.20 2 0 0 1784.92 29.10 2 0 0 1792.22 29.30 2 0 0 1782.42 28.00 2 0 0 1766.72 28.00 3 0 0 -0.10 0.30 3 0 0 0.00 0.20 3 0 0 0.30 0.40 3 0 0 0.20 0.20 4 0 0 96.09 3.40 4 0 0 97.29 3.40 -4 0 0 94.69 1.80 4 0 0 98.79 2.60 4 0 0 95.29 3.60 4 0 0 95.19 2.50 5 0 0 -0.50 0.40 5 0 0 -0.40 0.40 5 0 0 0.30 0.40 -5 0 0 -0.50 0.30 6 0 0 134.79 4.10 6 0 0 134.09 4.20 -6 0 0 142.69 3.80 6 0 0 142.79 5.20 6 0 0 143.89 5.00 -6 0 0 140.59 3.60 7 0 0 -0.80 0.70 7 0 0 1.50 0.80 7 0 0 0.30 0.50 -7 0 0 0.10 0.70 7 0 0 1.00 0.80 -7 0 0 -0.10 0.30 7 0 0 -0.40 0.30 8 0 0 332.97 8.10 8 0 0 370.96 10.60 8 0 0 355.96 8.70 8 0 0 340.27 8.00 -8 0 0 354.76 8.30 8 0 0 361.46 9.90 8 0 0 362.16 8.70 9 0 0 -0.10 0.50 9 0 0 0.60 0.40 9 0 0 -0.80 0.50 -9 0 0 0.30 0.60 -9 0 0 1.10 0.90 9 0 0 -0.20 0.50 9 0 0 0.10 0.40 9 0 0 1.70 0.60 9 0 0 -0.10 0.50 9 0 0 0.00 0.40 10 0 0 0.00 0.40 -10 0 0 0.20 0.90 10 0 0 0.50 0.80 10 0 0 0.80 0.60 10 0 0 1.00 0.60 10 0 0 0.30 0.60 -10 0 0 1.50 1.40 10 0 0 0.70 0.50 10 0 0 -0.20 0.80 10 0 0 2.00 0.60 10 0 0 -0.30 0.50 11 0 0 0.40 0.40 11 0 0 0.20 0.50 11 0 0 0.60 0.50 11 0 0 -0.20 0.70 11 0 0 -0.30 0.80 -11 0 0 0.10 1.90 11 0 0 -0.10 0.50 11 0 0 -0.50 0.40 12 0 0 3.60 0.90 12 0 0 3.20 0.80 12 0 0 4.20 1.10 -12 0 0 3.90 1.60 12 0 0 5.30 1.00 12 0 0 3.30 0.80 12 0 0 3.70 1.00 -12 0 0 7.00 2.60 12 0 0 5.60 1.10 13 0 0 -0.20 0.60 13 0 0 -0.50 0.30 13 0 0 -0.10 0.60 -13 0 0 -1.30 0.60 13 0 0 0.40 0.50 13 0 0 0.00 0.40 -13 0 0 0.50 1.40 13 0 0 -0.10 0.30 14 0 0 57.69 3.00 14 0 0 59.29 3.20 14 0 0 61.79 2.60 -14 0 0 62.09 2.50 14 0 0 59.29 2.80 14 0 0 57.79 2.70 14 0 0 56.49 2.50 15 0 0 0.40 0.30 -15 0 0 0.20 0.50 15 0 0 0.40 0.40 15 0 0 0.10 0.30 15 0 0 -0.50 0.30 16 0 0 35.80 1.40 0 -1 0 0.00 0.10 0 -1 0 0.00 0.10 0 -1 0 0.10 0.10 0 -1 0 0.20 0.10 0 1 0 0.10 0.10 0 1 0 0.10 0.10 1 -1 0 0.30 0.10 -1 -1 0 0.10 0.10 -1 -1 0 -0.10 0.10 1 1 0 0.20 0.10 1 1 0 0.10 0.20 1 1 0 0.40 0.20 -2 -1 0 4.70 0.50 2 -1 0 4.30 0.60 -2 -1 0 4.50 0.50 -2 -1 0 4.70 0.50 2 -1 0 3.50 0.50 2 1 0 4.40 0.60 2 1 0 3.80 0.70 2 1 0 4.20 0.60 3 -1 0 118.09 3.40 -3 -1 0 111.99 2.80 3 -1 0 119.09 3.50 3 1 0 114.59 3.20 3 1 0 117.09 3.50 3 1 0 117.39 3.70 4 -1 0 74.99 1.60 4 -1 0 75.09 1.60 4 -1 0 66.79 2.90 -4 -1 0 74.39 2.30 -4 -1 0 73.89 2.40 4 -1 0 76.09 2.90 4 1 0 71.39 3.00 4 1 0 75.39 2.70 4 1 0 70.59 2.90 4 1 0 77.19 3.30 -5 -1 0 35.30 1.70 -5 -1 0 37.30 2.00 5 -1 0 37.10 2.20 5 -1 0 36.90 2.30 5 -1 0 35.70 1.40 5 1 0 36.60 2.40 5 1 0 36.20 2.10 5 1 0 39.70 2.30 6 -1 0 10.00 1.00 6 -1 0 8.20 1.20 6 -1 0 8.50 1.00 -6 -1 0 9.60 1.50 6 -1 0 7.10 1.20 -6 -1 0 9.70 1.00 6 1 0 8.30 1.10 6 1 0 11.20 1.70 6 1 0 9.00 1.40 6 1 0 6.20 1.00 6 1 0 7.60 1.30 7 -1 0 0.80 0.60 7 -1 0 0.00 0.50 7 -1 0 0.80 0.50 -7 -1 0 0.60 0.50 7 -1 0 1.20 0.80 7 -1 0 1.10 0.70 -7 1 0 1.00 0.30 7 1 0 1.10 0.70 7 1 0 0.30 0.50 7 1 0 0.80 0.50 7 1 0 1.50 0.70 7 1 0 -0.40 1.30 -7 1 0 1.10 0.60 8 -1 0 24.50 1.80 8 -1 0 22.90 1.70 8 -1 0 23.80 2.30 -8 -1 0 23.40 2.00 8 -1 0 19.40 2.20 8 -1 0 24.80 2.50 8 -1 0 21.80 1.80 8 -1 0 23.70 1.70 -8 1 0 20.80 2.40 8 1 0 24.50 2.00 8 1 0 23.10 1.70 8 1 0 22.40 1.60 8 1 0 21.60 1.70 8 1 0 22.80 2.30 8 1 0 24.00 2.50 -8 1 0 24.00 1.60 8 1 0 25.80 2.00 9 -1 0 1.70 0.70 9 -1 0 3.20 0.80 9 -1 0 2.90 0.80 9 -1 0 2.00 0.70 9 -1 0 2.50 0.80 9 -1 0 1.00 0.80 -9 -1 0 1.50 0.80 9 -1 0 2.70 0.80 9 -1 0 4.00 0.80 9 -1 0 2.60 0.80 -9 -1 0 0.80 1.20 9 1 0 2.10 0.70 9 1 0 3.70 1.00 9 1 0 1.90 0.60 9 1 0 0.90 0.90 9 1 0 2.90 0.80 -9 1 0 1.60 0.60 9 1 0 3.30 0.80 9 1 0 2.30 0.70 9 1 0 2.50 0.90 -9 1 0 2.50 1.40 10 -1 0 6.70 1.10 10 -1 0 7.40 1.30 10 -1 0 8.30 1.30 10 -1 0 6.10 1.20 -10 -1 0 9.50 1.70 10 -1 0 7.20 1.60 10 -1 0 6.50 1.20 10 -1 0 7.40 1.10 10 -1 0 7.90 1.20 -10 -1 0 5.10 1.90 10 -1 0 8.10 1.50 10 1 0 8.10 1.20 10 1 0 8.10 1.40 10 1 0 7.20 1.50 10 1 0 7.50 1.10 -10 1 0 5.80 1.90 10 1 0 6.50 1.30 10 1 0 7.90 1.20 10 1 0 6.90 1.30 10 1 0 7.60 1.10 -10 1 0 6.70 1.40 11 -1 0 33.60 2.30 11 -1 0 31.10 3.20 -11 -1 0 31.80 2.00 11 -1 0 32.70 2.20 11 -1 0 29.90 3.20 -11 -1 0 33.60 3.10 11 -1 0 30.90 2.10 11 -1 0 36.80 2.30 11 -1 0 34.40 2.30 11 -1 0 26.70 2.10 11 1 0 33.30 2.10 11 1 0 33.00 2.10 -11 1 0 24.90 3.90 11 1 0 32.80 2.30 11 1 0 36.80 3.30 11 1 0 31.10 2.50 11 1 0 31.90 2.30 11 1 0 33.80 2.20 11 1 0 32.70 2.60 12 -1 0 0.50 0.50 -12 -1 0 -1.40 1.20 12 -1 0 0.60 0.50 12 -1 0 1.40 0.60 -12 -1 0 -2.50 2.00 12 -1 0 0.70 0.50 12 -1 0 -0.20 0.50 12 -1 0 0.20 0.40 -12 -1 0 0.10 0.50 12 -1 0 0.90 0.60 12 1 0 0.20 0.40 12 1 0 0.00 0.40 12 1 0 0.30 0.60 -12 1 0 1.60 1.40 -12 1 0 -0.90 1.30 12 1 0 0.20 0.50 12 1 0 0.20 0.60 -12 1 0 -0.40 2.50 12 1 0 0.30 0.50 12 1 0 0.00 0.50 -13 -1 0 0.10 0.50 13 -1 0 0.00 0.30 13 -1 0 0.60 0.50 13 -1 0 0.40 0.70 13 -1 0 0.60 0.50 13 -1 0 0.10 0.40 -13 -1 0 -2.00 1.30 13 -1 0 0.20 0.40 13 1 0 -0.20 0.50 13 1 0 -0.10 0.50 13 1 0 0.50 0.40 -13 1 0 -0.20 1.50 13 1 0 0.20 0.40 13 1 0 0.30 0.40 13 1 0 0.70 0.50 14 -1 0 5.50 1.00 14 -1 0 3.60 0.90 -14 -1 0 3.80 1.10 14 -1 0 3.80 0.90 14 -1 0 5.00 0.90 14 -1 0 4.50 1.00 14 1 0 6.30 1.10 14 1 0 6.30 1.20 14 1 0 5.20 0.90 -14 1 0 3.80 0.80 14 1 0 4.90 1.00 14 1 0 5.50 1.10 14 1 0 4.10 0.80 15 -1 0 78.29 3.20 15 -1 0 68.49 2.30 -15 -1 0 73.99 2.90 15 -1 0 73.89 2.70 15 -1 0 70.19 2.80 15 -1 0 79.59 2.70 -15 -1 0 75.69 2.60 15 1 0 73.99 2.60 15 1 0 75.79 2.80 -15 1 0 69.09 2.50 15 1 0 75.29 2.70 15 1 0 75.19 3.20 15 1 0 75.19 3.50 16 -1 0 0.00 0.20 16 -1 0 0.00 0.20 16 1 0 0.30 0.20 16 1 0 0.20 0.30 -1 -2 0 8.50 0.80 1 -2 0 9.50 0.40 -1 -2 0 10.00 0.80 -1 2 0 9.20 0.50 -1 2 0 9.20 0.40 1 2 0 9.60 0.80 -1 2 0 9.30 0.50 2 -2 0 919.51 15.70 -2 -2 0 945.91 16.40 -2 -2 0 927.31 16.10 2 2 0 930.71 16.00 2 2 0 947.91 16.40 -3 -2 0 163.48 4.10 -3 -2 0 158.88 4.10 3 -2 0 162.88 4.00 3 -2 0 169.38 4.20 3 2 0 155.88 4.50 -4 -2 0 138.29 3.90 4 -2 0 137.59 4.10 4 2 0 139.59 5.00 5 -2 0 28.30 2.00 5 -2 0 32.90 1.10 5 -2 0 30.50 2.00 -5 -2 0 28.70 1.80 5 2 0 30.30 2.10 5 2 0 32.70 2.30 6 -2 0 4.70 0.70 6 -2 0 2.50 0.80 6 -2 0 4.00 0.80 -6 -2 0 3.00 0.70 6 -2 0 3.70 0.90 6 2 0 4.80 1.20 6 2 0 4.80 0.90 6 2 0 5.10 1.20 6 2 0 3.80 0.80 7 -2 0 736.73 14.00 7 -2 0 779.52 16.10 7 -2 0 769.32 15.10 7 -2 0 787.02 15.20 7 -2 0 759.22 16.40 -7 -2 0 754.42 15.60 -7 2 0 770.82 12.80 7 2 0 723.93 16.50 7 2 0 781.82 15.30 -7 2 0 750.52 12.60 7 2 0 756.72 15.10 8 -2 0 169.68 5.00 8 -2 0 170.48 5.30 -8 -2 0 162.08 4.50 8 -2 0 176.68 6.20 8 -2 0 166.88 5.00 8 -2 0 162.98 4.90 8 -2 0 166.88 5.00 8 -2 0 181.78 5.60 8 2 0 183.38 6.70 8 2 0 170.48 5.10 8 2 0 169.28 4.90 8 2 0 169.88 5.00 8 2 0 181.08 5.70 8 2 0 174.08 5.10 8 2 0 173.38 5.60 8 2 0 177.48 5.20 -8 2 0 174.58 4.70 9 -2 0 73.29 3.50 9 -2 0 66.99 3.00 9 -2 0 71.49 3.40 9 -2 0 71.29 3.10 9 -2 0 81.59 3.70 9 -2 0 69.59 3.10 -9 -2 0 65.79 2.80 9 -2 0 71.89 4.00 9 -2 0 67.79 2.90 -9 -2 0 67.69 4.90 -9 -2 0 72.59 4.10 9 2 0 69.99 3.10 9 2 0 72.19 3.10 9 2 0 70.79 3.60 9 2 0 75.99 7.00 -9 2 0 68.09 4.80 9 2 0 70.29 3.20 -9 2 0 70.19 3.00 9 2 0 70.49 3.10 9 2 0 69.69 3.10 9 2 0 73.29 3.60 -10 -2 0 24.00 3.40 -10 -2 0 21.60 1.70 10 -2 0 20.00 1.70 10 -2 0 21.20 2.50 10 -2 0 27.00 2.20 10 -2 0 22.70 1.80 -10 -2 0 21.30 3.40 10 -2 0 22.10 1.90 10 -2 0 21.00 1.80 10 -2 0 20.50 1.80 10 -2 0 25.00 1.90 10 2 0 23.90 2.10 10 2 0 22.70 2.10 -10 2 0 21.40 3.40 10 2 0 21.10 1.70 10 2 0 22.50 1.80 -10 2 0 22.60 2.00 10 2 0 23.20 2.70 10 2 0 23.40 2.20 10 2 0 22.20 2.10 10 2 0 21.30 2.00 11 -2 0 79.99 3.30 11 -2 0 79.99 3.50 11 -2 0 74.19 3.40 11 -2 0 80.19 3.80 11 -2 0 83.99 3.60 11 -2 0 80.59 4.10 -11 -2 0 79.69 3.20 -11 -2 0 84.59 5.10 11 -2 0 77.59 3.50 -11 -2 0 85.79 6.60 -11 2 0 85.39 4.20 11 2 0 75.89 5.00 11 2 0 86.79 4.30 11 2 0 83.29 3.60 11 2 0 80.99 3.70 11 2 0 85.29 4.20 11 2 0 80.79 3.60 11 2 0 83.19 3.50 11 2 0 82.19 3.40 -12 -2 0 45.40 2.40 -12 -2 0 52.79 5.90 12 -2 0 50.49 2.50 12 -2 0 49.50 2.70 12 -2 0 51.19 3.20 12 -2 0 49.00 2.70 12 -2 0 48.60 2.70 12 -2 0 44.10 2.80 -12 -2 0 50.09 4.40 12 -2 0 49.30 3.20 12 2 0 48.10 2.70 12 2 0 46.80 2.60 -12 2 0 48.20 3.60 12 2 0 47.40 2.70 -12 2 0 37.10 4.10 12 2 0 46.50 2.40 12 2 0 49.60 3.10 12 2 0 54.09 2.80 12 2 0 47.60 3.10 -12 2 0 48.70 5.70 13 -2 0 -0.20 0.50 -13 -2 0 0.80 1.40 -13 -2 0 -0.20 0.40 13 -2 0 0.20 0.40 13 -2 0 0.20 0.50 13 -2 0 0.40 0.40 13 -2 0 -0.30 0.30 13 -2 0 -0.40 0.60 13 2 0 0.20 0.50 13 2 0 0.20 0.40 13 2 0 -0.10 0.60 13 2 0 0.00 0.40 -13 2 0 -3.50 1.90 13 2 0 0.80 0.50 13 2 0 0.30 0.50 14 -2 0 0.20 0.40 -14 -2 0 0.40 0.40 14 -2 0 0.80 0.40 14 -2 0 0.00 0.50 14 -2 0 0.50 0.50 14 -2 0 -0.10 0.40 -14 -2 0 -0.30 0.60 14 2 0 0.30 0.40 -14 2 0 -1.30 1.30 14 2 0 0.40 0.40 14 2 0 0.90 0.50 14 2 0 0.40 0.30 14 2 0 0.30 0.40 14 2 0 0.20 0.40 15 -2 0 68.29 2.40 -15 -2 0 72.29 2.70 -15 -2 0 72.29 2.60 15 -2 0 72.59 2.50 15 -2 0 66.79 2.20 15 2 0 69.89 2.50 15 2 0 73.09 2.60 15 2 0 66.89 2.20 15 2 0 72.59 2.70 16 2 0 19.50 1.00 16 2 0 19.30 1.00 0 -3 0 -0.10 0.20 0 -3 0 0.40 0.30 0 -3 0 0.20 0.30 0 3 0 0.40 0.30 -1 -3 0 313.77 7.60 -1 -3 0 300.97 6.50 -1 3 0 312.57 6.10 -1 3 0 302.67 6.20 -2 -3 0 356.26 8.00 -2 -3 0 382.26 8.00 2 3 0 382.56 7.70 2 3 0 371.26 7.80 -2 3 0 380.96 6.80 -2 3 0 376.86 6.70 3 -3 0 265.17 5.60 -3 -3 0 259.17 6.40 -3 -3 0 261.17 6.40 3 -3 0 276.37 5.50 3 3 0 270.37 6.10 3 3 0 269.27 6.50 4 -3 0 7.50 1.00 -4 -3 0 6.00 0.90 4 -3 0 6.30 0.60 -4 -3 0 10.00 1.70 4 3 0 4.50 1.00 4 3 0 6.50 1.10 -5 -3 0 138.59 4.70 5 -3 0 136.79 3.30 5 -3 0 133.69 4.30 5 -3 0 140.19 4.40 5 3 0 143.89 4.90 5 3 0 143.09 5.10 -6 -3 0 14.90 1.60 6 -3 0 15.50 1.60 6 -3 0 17.00 1.10 6 -3 0 14.60 1.60 6 -3 0 16.60 1.70 6 3 0 16.70 1.40 6 3 0 16.20 1.50 6 3 0 17.80 1.90 6 3 0 15.70 1.70 -7 -3 0 68.19 3.70 7 -3 0 66.29 2.80 -7 -3 0 62.79 2.40 7 -3 0 70.89 2.70 7 -3 0 68.69 3.20 7 3 0 67.49 3.70 7 3 0 69.19 3.30 7 3 0 65.49 4.00 7 3 0 65.09 3.10 -8 -3 0 14.70 1.30 8 -3 0 16.70 1.90 8 -3 0 12.40 1.50 8 -3 0 15.30 1.60 -8 -3 0 20.10 3.30 8 -3 0 14.70 1.50 -8 -3 0 16.90 3.00 8 -3 0 13.20 1.40 8 -3 0 15.10 1.40 8 -3 0 15.00 1.70 8 -3 0 17.60 1.50 8 3 0 15.00 1.40 8 3 0 15.40 1.40 -8 3 0 15.00 1.10 8 3 0 12.80 1.40 8 3 0 17.80 2.00 -8 3 0 14.30 1.50 -8 3 0 17.40 2.30 8 3 0 15.00 1.70 8 3 0 14.60 1.60 9 -3 0 22.80 1.80 9 -3 0 19.50 1.90 -9 -3 0 21.90 2.50 -9 -3 0 20.90 1.60 9 -3 0 19.00 1.60 9 -3 0 19.70 1.70 9 -3 0 18.40 1.60 9 -3 0 19.10 1.80 9 -3 0 22.10 1.80 9 -3 0 22.50 2.20 -9 -3 0 17.80 2.70 9 3 0 22.50 1.70 9 3 0 18.80 1.80 9 3 0 23.40 1.90 9 3 0 19.70 1.90 -9 3 0 19.70 2.80 9 3 0 22.30 2.30 -9 3 0 20.90 1.70 9 3 0 23.60 2.00 9 3 0 20.30 1.70 9 3 0 21.90 1.80 -10 -3 0 2.00 1.50 10 -3 0 2.00 1.00 10 -3 0 1.90 0.70 10 -3 0 1.60 0.60 10 -3 0 1.90 0.80 10 -3 0 2.50 0.80 -10 -3 0 2.00 0.60 -10 -3 0 3.00 1.20 10 -3 0 2.10 0.80 10 -3 0 1.60 0.90 -10 3 0 4.50 2.00 10 3 0 2.00 0.70 10 3 0 4.80 1.60 10 3 0 3.50 0.90 10 3 0 2.30 0.70 10 3 0 2.60 0.90 10 3 0 1.70 0.90 10 3 0 3.60 1.00 10 3 0 1.90 0.60 11 -3 0 8.90 1.40 -11 -3 0 10.70 2.40 11 -3 0 14.00 1.80 11 -3 0 11.50 1.30 -11 -3 0 11.10 1.20 11 -3 0 11.20 1.30 11 -3 0 8.50 1.40 -11 -3 0 12.60 3.00 11 -3 0 10.80 1.30 11 -3 0 12.30 1.40 11 3 0 11.00 1.40 -11 3 0 5.50 3.00 -11 3 0 8.80 2.30 11 3 0 10.00 1.30 11 3 0 10.90 1.60 11 3 0 9.20 1.30 11 3 0 10.90 1.30 11 3 0 6.90 1.30 11 3 0 11.80 1.60 11 3 0 10.50 2.20 -11 3 0 11.80 2.10 -12 -3 0 1.20 0.50 12 -3 0 0.10 0.50 -12 -3 0 -0.40 0.70 12 -3 0 0.90 0.50 -12 -3 0 -1.00 2.40 12 -3 0 1.40 0.70 12 -3 0 0.80 0.80 -12 -3 0 -0.30 1.40 12 -3 0 0.60 0.60 12 -3 0 0.50 0.60 12 3 0 0.70 0.50 -12 3 0 3.50 4.00 12 3 0 1.30 0.80 12 3 0 0.80 0.50 12 3 0 0.80 0.60 12 3 0 1.70 0.60 12 3 0 0.50 0.70 -12 3 0 3.40 3.10 12 3 0 1.00 0.40 -13 -3 0 -0.20 1.40 13 -3 0 0.30 1.00 13 -3 0 0.80 0.50 13 -3 0 -0.10 0.50 -13 -3 0 -1.10 0.60 13 -3 0 0.20 0.40 13 -3 0 0.90 0.40 13 -3 0 -0.20 0.50 -13 -3 0 0.70 0.40 13 3 0 0.20 0.40 13 3 0 -0.10 0.60 13 3 0 0.70 0.40 13 3 0 0.10 0.40 13 3 0 0.50 0.50 13 3 0 0.00 0.50 14 -3 0 1.10 0.60 14 -3 0 0.70 0.70 14 -3 0 0.60 0.50 -14 -3 0 -0.20 0.50 -14 -3 0 0.30 0.50 14 -3 0 0.50 0.50 14 3 0 1.20 0.60 14 3 0 0.90 0.40 14 3 0 1.30 0.60 14 3 0 0.90 0.50 14 3 0 1.10 0.40 14 3 0 1.40 0.50 -15 -3 0 5.50 0.70 15 -3 0 6.00 0.80 15 -3 0 6.30 0.80 15 -3 0 6.10 1.10 -15 -3 0 7.20 0.80 -15 -3 0 6.70 1.00 15 3 0 7.40 0.80 15 3 0 5.10 0.90 15 3 0 8.20 0.90 15 3 0 8.20 0.90 15 3 0 8.60 0.90 0 -4 0 5.60 0.40 0 -4 0 3.40 0.70 0 4 0 4.90 0.70 -1 -4 0 532.35 9.70 -1 -4 0 528.05 11.00 1 -4 0 511.35 10.60 -1 -4 0 536.75 10.50 1 4 0 524.55 10.50 -1 4 0 512.65 10.10 2 -4 0 791.42 15.30 -2 -4 0 827.22 15.90 -2 -4 0 819.72 15.40 -2 -4 0 812.02 14.80 -2 4 0 783.12 14.20 2 4 0 798.22 15.10 -3 -4 0 9.60 1.30 -3 -4 0 10.10 1.30 3 -4 0 10.00 1.20 3 4 0 8.20 1.10 3 4 0 11.30 1.20 -3 4 0 10.80 0.80 3 4 0 7.40 1.20 -3 4 0 11.10 1.00 -4 -4 0 58.59 2.90 4 -4 0 61.39 2.50 4 4 0 56.39 2.90 -4 4 0 64.09 1.90 4 4 0 60.49 2.90 5 -4 0 353.46 8.20 -5 -4 0 357.46 9.10 -5 -4 0 343.87 7.10 5 -4 0 344.87 7.70 5 4 0 355.16 8.00 5 4 0 340.17 8.80 5 4 0 347.97 9.20 -5 4 0 369.06 6.40 5 4 0 365.06 9.00 6 -4 0 400.26 9.20 6 -4 0 399.26 8.60 6 -4 0 397.96 9.10 -6 -4 0 385.86 8.10 6 4 0 407.66 9.50 -6 4 0 401.46 9.80 6 4 0 413.76 9.30 6 4 0 413.16 10.30 -6 4 0 412.66 7.30 -6 4 0 404.16 7.30 7 -4 0 1289.57 23.50 -7 -4 0 1275.07 25.40 -7 -4 0 1242.18 22.10 7 -4 0 1257.97 23.50 -7 -4 0 1302.57 27.00 7 -4 0 1299.27 23.60 7 -4 0 1249.47 23.50 7 -4 0 1230.78 22.50 -7 4 0 1250.07 24.70 7 4 0 1284.07 23.50 7 4 0 1241.68 23.70 7 4 0 1293.17 25.30 7 4 0 1257.57 22.60 7 4 0 1318.07 23.40 -7 4 0 1282.67 21.30 7 4 0 1259.37 22.80 7 4 0 1255.17 22.90 -7 4 0 1253.47 21.30 8 -4 0 17.20 1.60 -8 -4 0 24.40 2.00 8 -4 0 20.00 2.00 -8 -4 0 21.30 2.90 8 -4 0 17.30 1.60 8 -4 0 18.70 1.60 8 -4 0 24.30 1.90 -8 -4 0 22.30 2.50 8 -4 0 21.70 2.30 8 -4 0 21.40 1.80 8 -4 0 18.60 1.60 8 -4 0 21.00 1.90 8 4 0 19.60 1.70 -8 4 0 21.90 2.70 8 4 0 19.80 1.70 8 4 0 18.30 1.80 8 4 0 19.10 1.60 8 4 0 21.40 1.90 8 4 0 20.80 2.20 8 4 0 18.00 1.50 8 4 0 18.90 1.60 -8 4 0 19.60 1.80 -8 4 0 18.60 1.40 -9 -4 0 1.70 1.00 9 -4 0 5.40 1.10 -9 -4 0 3.70 1.60 9 -4 0 2.20 0.80 9 -4 0 3.00 0.90 9 -4 0 3.90 0.90 -9 -4 0 3.60 0.80 9 -4 0 6.90 1.30 9 -4 0 4.20 0.90 9 -4 0 4.40 1.00 -9 -4 0 4.20 1.30 9 -4 0 3.80 0.90 9 4 0 5.60 1.00 -9 4 0 5.00 1.00 9 4 0 3.10 0.80 9 4 0 7.20 1.50 9 4 0 3.70 0.90 9 4 0 4.40 1.00 9 4 0 3.20 0.90 9 4 0 3.70 1.00 -9 4 0 6.00 1.90 9 4 0 4.60 0.90 10 -4 0 48.60 2.60 -10 -4 0 54.69 5.00 -10 -4 0 47.20 3.10 10 -4 0 46.80 2.60 10 -4 0 47.00 2.70 10 -4 0 46.60 2.80 10 -4 0 46.10 2.70 -10 -4 0 37.10 3.90 10 -4 0 47.50 3.10 10 -4 0 45.80 2.70 -10 -4 0 48.20 2.40 10 4 0 49.99 3.10 -10 4 0 46.00 2.70 -10 4 0 43.90 4.10 10 4 0 47.80 2.70 10 4 0 48.00 3.90 10 4 0 46.40 3.00 10 4 0 45.50 2.80 -10 4 0 43.50 4.60 10 4 0 49.30 2.60 10 4 0 45.50 2.70 10 4 0 49.20 2.70 -11 -4 0 1.50 2.00 11 -4 0 1.90 0.90 11 -4 0 2.90 0.70 -11 -4 0 0.60 0.70 11 -4 0 1.20 0.60 -11 -4 0 0.20 1.50 11 -4 0 0.20 0.80 11 -4 0 2.00 0.70 11 -4 0 1.70 0.60 -11 -4 0 2.40 0.60 11 -4 0 1.90 0.60 -11 4 0 2.90 1.20 11 4 0 2.30 0.70 11 4 0 2.10 0.60 11 4 0 2.10 0.90 11 4 0 2.20 0.70 11 4 0 2.20 0.80 11 4 0 1.80 0.60 11 4 0 2.70 0.70 -11 4 0 4.80 2.20 -12 -4 0 8.20 2.10 12 -4 0 11.30 1.40 12 -4 0 9.60 1.40 12 -4 0 9.80 1.70 12 -4 0 10.80 1.30 -12 -4 0 6.30 2.40 12 -4 0 11.50 1.20 -12 -4 0 12.90 1.60 -12 -4 0 5.10 2.60 -12 -4 0 10.90 1.30 12 4 0 10.30 1.50 -12 4 0 14.50 2.70 12 4 0 10.80 1.20 12 4 0 10.30 1.30 12 4 0 11.40 1.40 12 4 0 9.50 1.50 12 4 0 9.30 1.10 12 4 0 10.50 1.20 -13 -4 0 7.30 1.00 13 -4 0 6.90 1.10 13 -4 0 8.60 1.10 13 -4 0 7.40 1.40 13 -4 0 7.20 1.10 -13 -4 0 8.40 1.30 -13 -4 0 2.40 1.90 13 4 0 7.70 1.30 13 4 0 9.80 1.20 13 4 0 6.60 1.20 13 4 0 7.20 1.00 13 4 0 8.00 1.10 13 4 0 8.30 1.10 -14 -4 0 4.20 0.80 14 -4 0 4.00 0.80 -14 -4 0 2.50 0.60 14 -4 0 4.60 0.80 14 -4 0 3.40 1.20 14 -4 0 3.50 0.80 14 4 0 2.00 1.10 14 4 0 3.10 0.70 14 4 0 2.60 1.00 14 4 0 3.20 0.70 15 -4 0 11.40 0.80 -15 -4 0 11.30 0.90 -15 -4 0 12.10 1.10 -15 -4 0 10.50 0.80 15 4 0 11.90 1.00 15 4 0 8.60 1.30 15 4 0 9.20 1.10 0 -5 0 0.20 0.30 0 5 0 1.10 0.50 -1 -5 0 73.99 3.10 -1 -5 0 76.29 3.40 -1 -5 0 73.99 2.40 -1 -5 0 70.69 2.30 1 -5 0 76.39 3.30 -1 5 0 68.49 3.20 1 5 0 70.29 3.10 -2 -5 0 36.70 2.00 2 -5 0 34.10 2.10 -2 -5 0 35.40 2.30 2 -5 0 38.70 3.00 -2 -5 0 31.20 2.30 -2 5 0 34.90 1.90 2 5 0 34.80 2.20 -3 -5 0 16.80 1.70 -3 -5 0 15.60 1.50 -3 -5 0 16.30 1.90 -3 -5 0 16.60 1.00 3 -5 0 16.70 2.20 -3 5 0 16.60 1.20 3 5 0 19.60 1.80 -3 5 0 18.10 1.90 -4 -5 0 119.59 4.30 4 -5 0 108.49 3.80 -4 -5 0 107.09 4.40 -4 -5 0 109.59 4.70 -4 -5 0 105.49 4.70 4 -5 0 116.99 4.30 4 5 0 106.29 4.00 -4 5 0 110.59 3.40 4 5 0 105.99 4.50 -4 5 0 105.29 3.70 4 5 0 110.79 3.90 -4 5 0 106.79 2.70 -5 -5 0 2.90 0.60 -5 -5 0 1.30 0.80 -5 -5 0 1.80 0.90 5 -5 0 1.80 0.90 5 -5 0 2.10 0.70 -5 5 0 3.20 0.70 5 5 0 2.00 0.80 -5 5 0 4.10 0.90 5 5 0 2.40 0.60 -5 5 0 3.10 0.80 6 -5 0 5.00 1.10 -6 -5 0 7.80 1.60 -6 -5 0 4.90 0.80 -6 -5 0 3.90 1.10 6 -5 0 6.00 1.30 -6 5 0 6.70 0.90 6 5 0 3.60 1.00 -6 5 0 5.80 1.20 6 5 0 6.00 1.00 -6 5 0 8.50 1.40 6 5 0 4.90 1.10 6 5 0 4.10 0.90 7 -5 0 17.80 1.70 7 -5 0 22.40 1.90 7 -5 0 21.10 1.80 -7 -5 0 23.60 2.70 7 -5 0 22.90 2.00 -7 -5 0 21.70 2.60 7 -5 0 24.30 2.80 -7 -5 0 24.30 1.60 7 5 0 20.40 1.70 7 5 0 23.80 2.00 7 5 0 22.70 1.70 -7 5 0 22.90 1.60 7 5 0 22.60 2.00 7 5 0 21.80 1.60 7 5 0 20.10 1.70 -7 5 0 23.20 2.10 -7 5 0 22.20 2.40 7 5 0 22.70 2.00 7 5 0 20.80 2.30 -8 -5 0 14.00 1.30 -8 -5 0 14.20 1.80 8 -5 0 14.70 1.70 8 -5 0 11.70 1.40 -8 -5 0 16.40 2.60 8 -5 0 17.30 1.60 8 -5 0 15.40 1.60 -8 -5 0 15.80 3.00 8 -5 0 12.90 1.40 8 -5 0 16.70 1.50 8 5 0 13.60 1.60 8 5 0 14.20 1.50 -8 5 0 14.00 2.50 8 5 0 17.20 1.80 8 5 0 14.80 1.40 -8 5 0 12.30 2.50 -8 5 0 16.10 1.50 8 5 0 10.50 1.80 8 5 0 15.20 1.50 8 5 0 16.40 1.60 8 5 0 13.00 1.50 9 -5 0 0.70 0.60 9 -5 0 1.10 0.60 -9 -5 0 -0.10 0.50 9 -5 0 -0.80 0.40 9 -5 0 0.20 0.60 -9 -5 0 0.30 0.40 9 -5 0 -0.20 0.50 -9 -5 0 0.00 0.60 9 5 0 0.50 0.50 -9 5 0 0.00 1.60 -9 5 0 0.20 0.60 9 5 0 0.70 0.50 9 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0.90 12 5 0 4.60 0.80 -13 -5 0 7.00 1.20 13 -5 0 7.10 1.00 13 -5 0 5.80 1.10 13 -5 0 7.10 1.10 -13 -5 0 6.50 0.90 13 -5 0 7.70 1.10 -13 -5 0 7.20 2.00 13 -5 0 6.80 1.00 13 5 0 7.90 1.10 13 5 0 7.80 1.00 13 5 0 7.30 1.00 13 5 0 9.40 1.30 13 5 0 7.40 1.10 13 5 0 7.00 1.20 -14 -5 0 27.60 1.60 14 -5 0 21.90 1.80 14 -5 0 23.80 1.40 -14 -5 0 24.90 1.50 14 -5 0 25.10 1.30 14 5 0 23.90 1.50 14 5 0 22.90 1.40 14 5 0 22.30 1.80 14 5 0 25.80 1.60 -15 -5 0 5.10 0.60 -15 -5 0 7.00 0.80 -15 -5 0 7.60 0.70 15 5 0 6.10 0.80 15 5 0 6.50 0.70 15 5 0 4.80 0.90 0 -6 0 6592.24 108.09 0 6 0 6722.53 107.29 1 -6 0 2094.59 37.30 -1 -6 0 2133.49 36.40 -1 -6 0 2055.69 33.90 -1 -6 0 2130.79 37.80 1 6 0 2100.19 36.90 1 6 0 2083.09 35.90 -1 6 0 2164.18 36.50 1 6 0 2084.09 34.50 2 -6 0 1009.30 19.70 -2 -6 0 1000.90 18.00 -2 -6 0 1013.90 18.30 -2 -6 0 1012.50 19.60 2 -6 0 989.70 18.70 -2 -6 0 988.70 20.50 2 6 0 1002.20 17.90 2 6 0 1014.20 19.80 -2 6 0 975.80 18.90 2 6 0 985.80 18.60 -3 -6 0 157.68 5.10 3 -6 0 151.68 5.30 -3 -6 0 146.09 4.70 -3 -6 0 148.89 5.60 3 -6 0 142.69 4.70 -3 -6 0 146.09 5.90 -3 -6 0 146.59 3.60 3 6 0 159.88 4.00 3 6 0 153.98 4.80 3 6 0 148.39 5.40 -3 6 0 148.69 4.80 -4 -6 0 46.40 3.70 -4 -6 0 48.10 1.90 -4 -6 0 41.00 3.00 4 -6 0 43.00 2.70 -4 -6 0 43.50 2.90 4 -6 0 41.00 2.40 4 6 0 49.20 2.70 -4 6 0 46.60 2.40 4 6 0 44.40 2.50 4 6 0 42.50 3.50 5 -6 0 24.50 1.90 -5 -6 0 22.60 2.50 5 -6 0 29.10 2.10 5 -6 0 25.60 1.90 -5 -6 0 22.50 2.30 -5 -6 0 27.00 1.50 5 6 0 24.40 1.80 5 6 0 25.00 2.00 -5 6 0 25.70 1.90 5 6 0 22.00 2.00 -6 -6 0 5.40 0.80 -6 -6 0 5.30 1.70 -6 -6 0 3.60 0.80 6 -6 0 3.80 0.90 -6 -6 0 3.40 1.30 6 -6 0 3.90 1.00 6 -6 0 4.30 1.10 6 -6 0 4.90 1.00 6 -6 0 4.80 0.90 -6 -6 0 5.00 0.90 6 6 0 4.70 1.00 6 6 0 4.60 1.10 6 6 0 3.90 0.80 6 6 0 5.00 1.50 6 6 0 2.60 0.80 -6 6 0 3.40 0.80 6 6 0 3.90 1.00 -7 -6 0 0.40 1.20 -7 -6 0 0.30 0.40 7 -6 0 0.40 0.60 7 -6 0 0.50 0.50 7 -6 0 0.20 0.40 7 -6 0 0.20 0.50 -7 -6 0 -0.40 0.40 7 -6 0 -0.40 0.50 -7 -6 0 0.00 0.50 -7 -6 0 0.70 1.20 7 -6 0 0.30 0.50 7 6 0 -0.10 0.40 7 6 0 0.10 0.60 7 6 0 0.00 0.50 7 6 0 0.50 0.60 7 6 0 0.60 0.60 7 6 0 0.60 0.50 7 6 0 1.00 0.60 7 6 0 0.00 0.50 -7 6 0 0.00 0.60 8 -6 0 -0.30 0.60 -8 -6 0 -0.40 1.30 -8 -6 0 -0.20 1.40 8 -6 0 -0.60 0.50 -8 -6 0 1.30 0.60 8 -6 0 -0.50 0.40 8 -6 0 0.40 0.50 8 -6 0 0.10 0.50 -8 -6 0 -0.10 0.30 -8 -6 0 -0.30 0.50 8 6 0 0.90 0.50 8 6 0 0.00 0.60 8 6 0 -0.10 0.40 8 6 0 0.30 0.50 8 6 0 1.00 0.60 -8 6 0 -1.60 0.60 8 6 0 0.30 0.50 8 6 0 0.50 0.50 8 6 0 0.20 0.50 9 -6 0 1.40 1.10 9 -6 0 2.30 0.70 9 -6 0 1.30 0.60 -9 -6 0 3.00 1.30 9 -6 0 0.90 0.60 -9 -6 0 0.50 0.60 -9 -6 0 2.70 1.60 -9 -6 0 -1.20 1.70 -9 -6 0 0.60 0.60 -9 -6 0 1.40 0.50 9 -6 0 1.50 0.70 9 -6 0 0.90 0.50 9 -6 0 0.60 0.60 9 6 0 0.70 0.50 -9 6 0 0.10 0.90 9 6 0 2.00 0.70 9 6 0 1.60 0.60 9 6 0 3.20 0.90 9 6 0 2.60 0.80 9 6 0 1.40 0.80 9 6 0 1.50 0.60 -10 -6 0 -0.10 0.50 10 -6 0 -0.10 0.40 10 -6 0 -0.20 0.40 10 -6 0 -0.20 0.40 -10 -6 0 0.20 2.10 10 -6 0 -0.40 0.60 -10 -6 0 -0.30 0.40 10 -6 0 -1.40 0.80 10 -6 0 -1.10 0.60 10 -6 0 0.00 0.40 -10 -6 0 1.50 1.50 -10 -6 0 0.20 0.40 -10 -6 0 -0.10 2.30 10 6 0 -0.40 0.30 10 6 0 -0.80 0.40 10 6 0 -0.20 0.40 10 6 0 0.20 0.50 10 6 0 -0.30 0.40 10 6 0 -0.50 0.60 -10 6 0 0.60 0.90 10 6 0 0.50 0.50 -11 -6 0 13.10 3.80 11 -6 0 17.20 1.60 -11 -6 0 16.60 3.90 -11 -6 0 17.20 1.50 -11 -6 0 16.20 1.40 11 -6 0 15.90 1.40 -11 -6 0 15.20 3.10 11 -6 0 18.00 1.90 11 -6 0 14.80 1.40 -11 -6 0 15.00 1.70 11 -6 0 18.50 1.60 11 -6 0 16.30 1.70 11 6 0 17.20 1.50 11 6 0 16.20 1.80 11 6 0 16.30 2.00 -11 6 0 12.90 2.60 11 6 0 17.30 1.50 11 6 0 16.00 1.60 11 6 0 17.80 1.60 -12 -6 0 27.70 2.00 -12 -6 0 24.00 1.70 12 -6 0 24.70 1.80 12 -6 0 22.80 2.00 12 -6 0 24.40 1.80 -12 -6 0 25.50 3.80 12 -6 0 25.70 1.70 12 6 0 24.30 1.70 12 6 0 21.80 2.00 12 6 0 24.60 1.80 12 6 0 22.40 2.10 12 6 0 23.50 1.70 12 6 0 24.30 1.80 -13 -6 0 10.70 1.90 13 -6 0 11.30 1.10 13 -6 0 10.20 1.10 -13 -6 0 11.10 1.10 13 -6 0 11.20 1.10 13 6 0 8.90 1.30 13 6 0 8.90 1.00 13 6 0 8.80 1.10 13 6 0 10.40 1.10 13 6 0 10.60 1.20 -14 -6 0 9.80 0.90 14 -6 0 8.70 0.80 -14 -6 0 8.50 0.90 14 -6 0 8.50 0.80 -14 -6 0 10.30 1.00 14 6 0 9.00 0.90 14 6 0 8.40 0.80 14 6 0 8.50 0.80 14 6 0 8.90 1.10 14 6 0 9.70 0.90 0 -7 0 0.70 0.60 0 7 0 -1.10 0.40 0 7 0 0.00 0.60 0 7 0 0.40 0.30 1 -7 0 247.98 8.00 -1 -7 0 245.98 8.20 1 7 0 244.88 6.80 -1 7 0 248.98 7.40 1 7 0 243.98 7.60 -1 7 0 244.48 5.80 1 7 0 244.08 5.60 -2 -7 0 112.79 5.40 -2 -7 0 113.59 3.60 2 -7 0 112.49 5.00 -2 -7 0 107.79 3.60 -2 7 0 107.09 3.40 2 7 0 112.19 5.00 2 7 0 109.89 4.20 2 7 0 107.79 3.20 -2 7 0 111.49 4.60 -3 -7 0 216.58 4.70 -3 -7 0 225.38 8.20 3 -7 0 232.38 7.50 -3 -7 0 217.18 6.40 -3 -7 0 220.18 6.20 -3 -7 0 227.78 7.80 3 -7 0 220.18 6.40 -3 7 0 219.08 6.80 3 7 0 217.88 7.50 3 7 0 224.08 5.00 3 7 0 222.08 6.50 -4 -7 0 6.80 1.00 -4 -7 0 7.60 1.60 4 -7 0 8.00 1.50 -4 -7 0 6.90 1.60 4 -7 0 6.60 1.20 4 -7 0 5.20 1.00 4 -7 0 6.80 1.30 -4 -7 0 6.30 1.00 -4 -7 0 6.80 2.10 -4 -7 0 7.80 0.80 4 -7 0 9.80 1.20 -4 -7 0 3.10 1.60 4 -7 0 6.90 1.20 4 7 0 6.70 1.00 4 7 0 7.60 1.30 4 7 0 7.70 0.80 4 7 0 7.20 1.20 -4 7 0 7.80 1.30 5 -7 0 12.10 1.30 -5 -7 0 10.60 1.90 5 -7 0 10.10 1.50 5 -7 0 12.70 1.50 -5 -7 0 12.00 1.20 5 -7 0 12.50 1.80 -5 -7 0 14.10 1.40 5 -7 0 13.90 1.60 -5 -7 0 12.80 1.10 5 -7 0 14.40 1.50 -5 -7 0 14.60 2.70 -5 -7 0 12.00 2.40 5 -7 0 12.70 1.30 5 7 0 11.80 1.40 5 7 0 14.90 1.40 5 7 0 12.50 1.40 -5 7 0 11.50 1.50 5 7 0 12.60 1.50 6 -7 0 33.60 2.10 -6 -7 0 37.50 3.90 -6 -7 0 33.30 3.00 6 -7 0 34.80 2.30 6 -7 0 35.00 2.30 -6 -7 0 32.10 2.10 6 -7 0 28.50 2.10 -6 -7 0 31.50 1.90 -6 -7 0 37.10 3.50 6 -7 0 33.20 2.60 6 -7 0 31.10 1.90 6 -7 0 35.30 2.60 6 -7 0 31.20 2.00 -6 -7 0 32.10 1.80 6 7 0 27.70 2.80 6 7 0 32.80 2.20 6 7 0 29.90 2.00 6 7 0 35.10 2.20 6 7 0 30.90 2.40 6 7 0 34.20 2.20 -6 7 0 33.50 2.50 -7 -7 0 1.00 1.00 -7 -7 0 1.30 1.70 -7 -7 0 1.30 0.60 7 -7 0 1.50 0.70 7 -7 0 2.10 0.80 7 -7 0 1.70 0.60 -7 -7 0 2.30 0.60 -7 -7 0 1.50 1.90 7 -7 0 1.10 0.70 7 -7 0 2.20 0.70 -7 -7 0 1.50 0.70 7 -7 0 0.30 0.60 7 -7 0 2.30 0.80 7 7 0 1.10 0.70 7 7 0 1.00 0.70 7 7 0 1.20 0.70 7 7 0 1.20 0.60 -7 7 0 1.40 0.70 7 7 0 1.90 0.70 7 7 0 1.50 0.80 7 7 0 1.90 0.60 8 -7 0 16.60 1.60 -8 -7 0 15.90 1.70 -8 -7 0 9.20 2.70 -8 -7 0 22.10 3.70 8 -7 0 16.60 1.60 8 -7 0 15.00 1.70 -8 -7 0 15.30 2.80 8 -7 0 12.90 1.50 -8 -7 0 15.50 1.40 -8 -7 0 14.00 1.40 8 -7 0 15.50 1.70 8 -7 0 15.70 1.80 8 -7 0 14.40 2.00 -8 7 0 13.90 2.00 8 7 0 17.40 1.90 8 7 0 15.30 1.70 8 7 0 14.80 1.50 8 7 0 13.90 1.60 8 7 0 15.20 1.80 8 7 0 15.60 1.50 8 7 0 18.10 1.70 9 -7 0 0.40 0.50 9 -7 0 -0.60 0.60 -9 -7 0 0.90 1.50 9 -7 0 -0.10 0.50 9 -7 0 0.50 0.40 -9 -7 0 1.50 2.60 -9 -7 0 0.00 0.40 9 -7 0 -0.20 0.80 9 -7 0 -0.30 0.30 9 -7 0 0.10 0.40 -9 -7 0 0.20 0.40 -9 -7 0 0.00 0.30 -9 -7 0 -2.40 2.00 9 7 0 0.80 0.50 9 7 0 -0.20 0.50 -9 7 0 0.60 0.90 9 7 0 0.10 0.50 9 7 0 0.00 0.30 9 7 0 -0.20 0.50 9 7 0 -0.60 0.50 10 -7 0 2.30 0.90 10 -7 0 3.00 1.30 -10 -7 0 2.00 0.60 10 -7 0 2.70 0.80 10 -7 0 2.90 1.10 -10 -7 0 2.00 0.80 -10 -7 0 0.20 3.30 -10 -7 0 2.60 1.90 -10 -7 0 2.30 0.60 10 -7 0 2.30 0.80 10 -7 0 1.60 0.60 10 7 0 3.80 0.90 10 7 0 2.20 0.70 10 7 0 2.90 1.00 10 7 0 3.10 0.70 -10 7 0 3.90 2.30 10 7 0 2.60 0.60 10 7 0 2.00 0.70 -11 -7 0 0.50 0.40 11 -7 0 0.40 0.40 -11 -7 0 1.30 1.80 11 -7 0 0.80 0.40 11 -7 0 0.90 0.70 11 -7 0 0.40 0.40 11 -7 0 0.30 0.40 -11 -7 0 0.40 0.50 11 7 0 0.90 0.50 11 7 0 -0.20 0.50 11 7 0 1.00 0.30 11 7 0 0.10 0.50 11 7 0 0.40 0.40 11 7 0 0.70 0.50 12 -7 0 -0.60 0.30 12 -7 0 -0.20 0.30 -12 -7 0 0.20 0.90 -12 -7 0 -0.10 0.30 -12 -7 0 -0.10 0.30 12 -7 0 0.40 0.40 12 -7 0 0.00 0.40 12 7 0 -0.50 0.40 12 7 0 -0.80 0.30 12 7 0 -0.10 0.30 12 7 0 -0.10 0.30 12 7 0 0.30 0.40 -13 -7 0 4.10 0.80 13 -7 0 3.70 0.70 13 -7 0 2.20 0.70 -13 -7 0 3.20 0.80 13 -7 0 3.20 0.90 13 7 0 4.70 0.70 13 7 0 3.80 0.80 13 7 0 4.10 0.70 -14 -7 0 3.60 0.60 14 7 0 3.30 0.60 14 7 0 3.80 0.80 14 7 0 2.20 0.50 0 -8 0 66.79 2.80 0 -8 0 65.19 2.70 0 -8 0 67.89 4.30 0 -8 0 65.99 3.10 0 8 0 67.09 3.30 0 8 0 66.39 2.60 0 8 0 69.99 4.10 -1 -8 0 111.39 3.70 1 -8 0 109.29 4.80 1 -8 0 111.09 3.70 -1 -8 0 101.89 3.60 1 -8 0 105.39 3.70 1 -8 0 102.39 4.00 -1 -8 0 105.29 5.60 1 -8 0 103.69 5.30 1 -8 0 105.99 4.10 -1 -8 0 106.89 4.00 1 8 0 111.19 4.40 1 8 0 99.59 3.80 -1 8 0 102.89 3.50 -1 8 0 110.99 5.00 1 8 0 104.49 3.30 -1 8 0 105.99 4.20 1 8 0 106.39 5.10 2 -8 0 19.90 1.60 -2 -8 0 19.80 2.80 -2 -8 0 21.80 2.00 2 -8 0 19.70 1.50 2 -8 0 20.10 2.40 2 -8 0 19.90 1.80 2 8 0 19.80 1.80 2 8 0 18.20 1.80 2 8 0 21.70 2.70 -2 8 0 19.30 1.40 -2 8 0 19.30 2.10 -3 -8 0 26.00 3.40 3 -8 0 20.20 1.90 -3 -8 0 22.50 1.50 3 -8 0 20.30 1.80 3 -8 0 23.80 1.80 -3 -8 0 22.80 1.70 3 -8 0 23.90 2.50 3 -8 0 22.80 1.80 3 -8 0 22.40 1.70 3 -8 0 27.00 1.70 -3 8 0 24.60 1.60 -3 8 0 23.80 2.40 3 8 0 20.40 2.00 3 8 0 26.10 1.60 3 8 0 22.60 1.70 4 -8 0 72.89 3.50 -4 -8 0 71.49 2.30 4 -8 0 67.89 3.30 4 -8 0 65.49 2.80 -4 -8 0 69.29 3.00 4 -8 0 67.29 3.00 -4 -8 0 67.19 2.60 4 -8 0 68.99 3.00 4 -8 0 67.59 3.30 4 -8 0 68.09 4.10 4 8 0 62.89 2.00 -4 8 0 73.19 4.00 4 8 0 68.69 3.10 4 8 0 66.89 3.50 4 8 0 68.19 3.10 -4 8 0 67.09 2.80 5 -8 0 54.29 2.90 5 -8 0 56.89 3.80 -5 -8 0 56.49 2.20 5 -8 0 57.09 3.30 5 -8 0 50.39 2.40 5 -8 0 52.79 2.60 -5 -8 0 56.29 2.50 -5 -8 0 58.69 3.80 -5 -8 0 57.49 2.70 5 -8 0 53.09 2.70 -5 -8 0 54.99 4.10 5 -8 0 56.69 3.10 5 -8 0 49.90 2.70 5 8 0 58.99 3.30 -5 8 0 56.09 3.60 5 8 0 54.69 2.80 -5 8 0 54.49 2.60 5 8 0 53.39 2.80 5 8 0 51.09 2.70 6 -8 0 213.58 6.00 -6 -8 0 219.28 7.80 -6 -8 0 207.58 5.90 -6 -8 0 205.78 8.20 6 -8 0 200.18 5.40 6 -8 0 220.38 7.70 6 -8 0 219.08 7.00 6 -8 0 209.88 6.70 6 -8 0 209.98 6.50 6 -8 0 217.48 7.40 -6 -8 0 212.38 6.30 -6 -8 0 215.08 5.30 6 -8 0 212.38 6.00 -6 8 0 197.08 7.40 6 8 0 203.68 6.00 6 8 0 198.58 5.50 6 8 0 208.98 6.20 6 8 0 208.88 7.00 6 8 0 213.28 6.10 -7 -8 0 81.99 3.40 7 -8 0 78.99 3.70 7 -8 0 78.39 3.40 7 -8 0 87.49 4.20 7 -8 0 77.09 3.40 7 -8 0 82.49 3.90 7 -8 0 73.49 4.10 7 -8 0 75.79 3.30 -7 -8 0 83.39 3.10 -7 -8 0 84.59 3.50 7 8 0 73.89 3.40 7 8 0 83.99 3.70 7 8 0 81.39 3.60 7 8 0 79.39 3.30 -7 8 0 81.59 4.30 7 8 0 79.39 4.20 8 -8 0 381.96 9.90 -8 -8 0 383.86 8.90 -8 -8 0 399.86 12.40 8 -8 0 370.36 10.10 -8 -8 0 379.66 9.00 -8 -8 0 376.76 8.40 8 -8 0 371.86 8.80 8 -8 0 379.16 9.00 -8 -8 0 358.26 13.10 8 -8 0 389.86 9.70 8 -8 0 371.86 9.00 8 -8 0 388.56 10.60 8 8 0 379.86 9.30 -8 8 0 383.36 10.50 8 8 0 363.86 8.60 8 8 0 376.26 9.40 8 8 0 387.86 9.40 8 8 0 383.26 8.70 8 8 0 376.16 10.40 -9 -8 0 24.60 1.70 9 -8 0 25.60 1.90 9 -8 0 21.30 1.90 -9 -8 0 25.20 3.90 -9 -8 0 24.20 1.90 9 -8 0 21.20 1.70 9 -8 0 22.70 1.80 9 -8 0 21.60 2.60 -9 -8 0 24.70 1.70 -9 -8 0 44.90 6.40 9 -8 0 24.20 2.10 9 -8 0 23.10 2.20 9 8 0 23.70 2.30 9 8 0 23.50 1.60 9 8 0 24.20 1.90 9 8 0 26.40 2.00 9 8 0 28.20 2.10 9 8 0 21.40 1.70 -9 8 0 25.20 2.90 10 -8 0 2.50 0.80 10 -8 0 1.80 0.70 10 -8 0 2.30 0.70 -10 -8 0 2.30 0.60 10 -8 0 2.00 0.60 -10 -8 0 -0.20 2.10 10 -8 0 3.00 0.80 10 -8 0 2.20 0.60 -10 -8 0 2.80 0.60 -10 -8 0 1.80 0.60 10 8 0 2.80 0.70 10 8 0 2.50 0.90 10 8 0 3.00 0.70 10 8 0 2.40 0.60 10 8 0 3.10 0.70 11 -8 0 17.60 2.20 -11 -8 0 19.10 2.60 11 -8 0 17.30 1.80 11 -8 0 17.90 1.40 -11 -8 0 16.10 1.20 -11 -8 0 16.40 1.50 -11 -8 0 18.40 1.40 11 -8 0 17.20 1.60 11 -8 0 20.00 1.60 11 8 0 17.90 1.40 11 8 0 15.00 1.30 11 8 0 17.60 1.90 11 8 0 19.40 1.50 11 8 0 17.70 1.50 -12 -8 0 1.40 0.40 12 -8 0 1.70 0.60 12 -8 0 0.90 0.70 -12 -8 0 1.40 0.50 12 -8 0 3.30 0.80 12 -8 0 1.20 0.40 -12 -8 0 -0.30 2.30 12 8 0 1.10 0.40 12 8 0 1.60 0.80 -13 -8 0 11.90 1.00 -13 -8 0 12.00 0.90 13 -8 0 8.80 0.90 13 -8 0 8.70 0.90 13 8 0 9.60 1.20 13 8 0 9.90 0.80 13 8 0 11.00 1.20 0 -9 0 -0.50 0.50 0 -9 0 -0.10 0.40 0 -9 0 -0.30 0.40 0 -9 0 -0.70 1.10 0 -9 0 -0.80 0.50 0 -9 0 -1.00 0.50 0 9 0 0.70 0.80 0 9 0 0.30 0.50 0 9 0 0.00 0.30 0 9 0 1.60 1.20 0 9 0 0.20 0.40 -1 -9 0 38.30 2.20 -1 -9 0 36.70 2.40 1 -9 0 34.10 2.40 -1 -9 0 36.40 3.80 1 -9 0 36.70 3.60 -1 -9 0 34.30 2.00 1 -9 0 37.90 2.50 1 -9 0 35.30 2.10 1 -9 0 37.80 2.20 -1 -9 0 32.40 2.10 1 -9 0 37.00 2.10 -1 -9 0 36.50 2.20 1 9 0 39.10 3.60 -1 9 0 36.70 2.00 -1 9 0 31.50 2.50 1 9 0 33.60 2.10 1 9 0 32.90 2.20 -1 9 0 41.30 3.50 -1 9 0 36.20 2.50 1 9 0 36.60 2.00 1 9 0 38.30 2.60 -2 -9 0 245.68 6.40 2 -9 0 264.77 7.40 2 -9 0 269.87 6.90 -2 -9 0 271.07 10.60 -2 -9 0 263.17 6.80 -2 -9 0 249.08 7.10 2 -9 0 262.77 6.80 -2 -9 0 257.67 6.60 2 -9 0 242.78 9.30 2 -9 0 261.07 6.60 2 -9 0 255.17 7.30 2 9 0 261.57 6.20 -2 9 0 266.47 6.60 2 9 0 254.97 7.60 -2 9 0 262.07 7.70 2 9 0 256.27 6.80 2 9 0 265.87 9.70 -2 9 0 254.77 8.80 2 9 0 253.17 6.70 -2 9 0 252.37 7.50 -3 -9 0 6.40 1.00 3 -9 0 5.70 1.20 3 -9 0 3.70 1.30 -3 -9 0 3.80 0.90 -3 -9 0 4.60 0.90 3 -9 0 5.70 1.20 -3 -9 0 7.00 2.60 3 -9 0 5.90 1.00 3 -9 0 5.50 1.10 3 -9 0 5.30 1.20 -3 -9 0 8.40 1.40 -3 9 0 4.90 1.30 3 9 0 4.90 1.10 -3 9 0 5.40 0.90 3 9 0 4.40 1.10 3 9 0 7.00 0.80 4 -9 0 11.70 1.50 4 -9 0 15.30 1.70 4 -9 0 11.30 2.20 -4 -9 0 11.90 1.00 -4 -9 0 13.70 1.50 -4 -9 0 11.00 1.30 4 -9 0 13.10 1.40 4 -9 0 11.80 1.30 4 -9 0 11.50 1.40 -4 9 0 12.70 1.30 4 9 0 10.90 1.40 4 9 0 9.00 1.40 4 9 0 12.00 1.40 -4 9 0 12.10 2.00 -5 -9 0 146.09 4.10 5 -9 0 142.19 6.60 5 -9 0 146.39 4.90 5 -9 0 145.59 5.30 -5 -9 0 140.49 4.70 5 -9 0 142.99 4.90 5 -9 0 137.09 4.30 5 -9 0 145.89 4.70 5 -9 0 152.38 5.50 -5 9 0 138.19 4.50 -5 9 0 153.28 6.50 5 9 0 141.69 5.00 5 9 0 143.79 5.60 6 -9 0 47.00 2.60 6 -9 0 46.10 2.60 6 -9 0 43.30 2.20 6 -9 0 47.70 2.90 -6 -9 0 44.00 2.20 6 -9 0 45.70 2.70 -6 -9 0 47.30 2.60 6 -9 0 51.39 4.50 6 -9 0 44.70 2.90 -6 -9 0 43.40 1.80 -6 9 0 41.30 2.30 -6 9 0 46.50 3.70 6 9 0 50.29 2.80 6 9 0 44.80 2.70 7 -9 0 62.89 4.10 -7 -9 0 61.79 2.30 -7 -9 0 66.39 3.00 7 -9 0 63.99 2.90 7 -9 0 65.19 3.20 7 -9 0 66.19 3.00 7 -9 0 66.79 3.40 -7 -9 0 63.69 2.80 7 -9 0 62.79 3.50 -7 9 0 58.69 2.80 7 9 0 63.79 3.20 7 9 0 65.49 3.90 -7 9 0 62.69 4.20 7 9 0 66.99 3.20 7 9 0 56.89 2.90 -8 -9 0 17.80 1.60 -8 -9 0 16.60 1.50 8 -9 0 20.20 2.00 -8 -9 0 10.90 2.10 8 -9 0 17.30 1.70 8 -9 0 17.20 1.60 8 -9 0 19.00 2.50 -8 -9 0 17.10 1.30 8 -9 0 17.30 1.80 8 -9 0 20.50 2.30 8 9 0 17.40 1.50 -8 9 0 16.10 2.80 -8 9 0 19.10 1.80 8 9 0 19.20 1.80 8 9 0 19.90 2.10 8 9 0 19.20 1.70 -9 -9 0 25.30 3.40 9 -9 0 24.10 1.90 9 -9 0 26.10 2.00 -9 -9 0 22.10 1.60 9 -9 0 27.20 2.10 9 -9 0 22.40 1.70 -9 -9 0 23.00 1.70 9 -9 0 25.80 1.70 -9 -9 0 24.00 1.50 9 9 0 22.20 1.50 9 9 0 27.10 2.00 9 9 0 27.50 2.40 9 9 0 25.00 1.90 10 -9 0 9.80 1.20 -10 -9 0 2.90 2.20 10 -9 0 8.10 1.20 -10 -9 0 6.40 0.90 10 -9 0 5.20 1.10 -10 -9 0 6.30 0.90 -10 -9 0 9.30 1.10 10 9 0 5.70 1.20 10 9 0 10.70 1.20 10 9 0 7.40 0.90 10 9 0 8.20 1.20 -11 -9 0 7.70 1.10 -11 -9 0 6.20 0.90 11 -9 0 6.40 0.90 11 -9 0 8.60 1.10 -11 -9 0 4.50 0.80 11 9 0 6.90 1.10 11 9 0 7.60 1.20 11 9 0 8.50 0.80 11 9 0 5.70 1.00 -12 -9 0 18.90 1.10 12 -9 0 19.10 1.80 12 -9 0 16.70 1.00 -12 -9 0 20.30 1.40 12 -9 0 19.80 1.30 12 9 0 19.60 1.20 12 9 0 21.10 1.30 12 9 0 19.20 1.60 -13 -9 0 0.20 0.20 13 9 0 0.20 0.20 0 -10 0 30.80 3.20 0 -10 0 25.90 2.20 0 -10 0 29.40 2.50 0 -10 0 26.40 1.90 0 -10 0 26.80 2.20 0 -10 0 18.40 3.20 0 10 0 25.00 2.00 0 10 0 26.10 1.70 0 10 0 31.20 3.60 0 10 0 27.20 2.10 0 10 0 29.00 2.40 1 -10 0 6.50 1.60 -1 -10 0 5.90 1.20 1 -10 0 7.70 1.40 -1 -10 0 6.00 1.10 1 -10 0 3.10 1.70 -1 -10 0 7.50 1.10 -1 -10 0 7.50 1.10 1 -10 0 8.80 1.60 1 -10 0 6.90 1.30 1 -10 0 6.10 1.10 -1 -10 0 4.10 2.20 -1 -10 0 5.20 1.20 1 10 0 8.10 1.20 -1 10 0 6.40 1.90 -1 10 0 6.70 1.10 1 10 0 4.30 1.90 1 10 0 5.80 1.20 -1 10 0 7.70 1.00 -1 10 0 8.40 1.30 1 10 0 7.10 0.90 2 -10 0 2.30 0.80 2 -10 0 2.80 0.70 -2 -10 0 2.80 0.70 -2 -10 0 0.70 2.70 2 -10 0 3.20 0.90 2 -10 0 3.00 1.00 2 -10 0 2.80 0.80 -2 -10 0 1.60 0.60 -2 -10 0 0.60 0.70 -2 -10 0 1.50 0.70 2 10 0 -0.10 2.90 -2 10 0 1.80 0.50 2 10 0 2.20 0.50 2 10 0 1.30 0.70 -2 10 0 2.10 0.80 -2 10 0 1.60 1.50 2 10 0 2.00 0.80 -2 10 0 2.10 0.80 -2 10 0 3.10 0.80 3 -10 0 5.20 1.00 3 -10 0 5.40 1.20 3 -10 0 3.50 1.40 3 -10 0 2.90 0.80 -3 -10 0 6.20 1.10 3 -10 0 4.00 0.90 -3 -10 0 3.70 0.90 3 -10 0 5.30 1.00 -3 10 0 5.50 1.70 3 10 0 5.40 1.10 -3 10 0 3.90 1.00 -3 10 0 3.60 1.10 3 10 0 4.30 0.70 3 10 0 4.10 1.00 3 10 0 5.70 1.20 -3 10 0 3.60 0.80 -4 -10 0 28.90 2.00 -4 -10 0 30.00 2.00 4 -10 0 30.90 2.10 4 -10 0 30.40 1.90 4 -10 0 32.00 2.40 -4 -10 0 34.00 2.30 4 -10 0 28.50 2.10 4 -10 0 35.90 2.60 -4 10 0 29.00 3.60 -4 10 0 30.80 3.30 4 10 0 30.60 2.10 4 10 0 31.40 2.30 -4 10 0 28.00 2.00 -5 -10 0 12.10 1.40 5 -10 0 11.00 1.30 5 -10 0 10.80 1.30 5 -10 0 12.00 1.60 -5 -10 0 12.70 1.40 5 -10 0 10.60 2.20 5 -10 0 13.00 1.60 5 -10 0 13.20 1.50 5 10 0 12.50 1.40 -5 10 0 12.20 1.30 -5 10 0 11.90 2.50 5 10 0 13.00 1.50 5 10 0 13.90 1.80 6 -10 0 313.37 7.90 6 -10 0 300.07 10.30 -6 -10 0 307.67 7.90 6 -10 0 309.07 8.70 -6 -10 0 298.67 6.10 6 -10 0 307.47 8.50 -6 -10 0 305.87 7.90 6 -10 0 304.57 8.00 6 -10 0 300.17 7.10 -6 10 0 306.77 10.20 6 10 0 306.17 8.00 6 10 0 321.67 9.30 -6 10 0 311.27 7.70 6 10 0 298.67 8.10 7 -10 0 92.79 4.60 7 -10 0 99.79 4.60 -7 -10 0 98.59 4.30 -7 10 0 101.49 3.80 -7 10 0 90.39 6.30 7 10 0 95.79 4.60 8 -10 0 22.50 2.00 -8 -10 0 22.10 1.60 8 -10 0 23.80 1.70 -8 -10 0 24.30 1.90 -8 -10 0 24.00 1.40 8 -10 0 22.60 1.90 8 -10 0 23.20 1.80 8 10 0 23.80 1.80 -8 10 0 20.80 1.80 8 10 0 21.30 2.10 8 10 0 25.00 1.80 9 -10 0 0.20 0.40 9 -10 0 1.00 0.50 -9 -10 0 0.50 0.40 9 -10 0 0.10 0.40 -9 -10 0 0.00 0.40 9 -10 0 0.30 0.50 -9 -10 0 0.30 0.30 9 10 0 -0.10 0.40 9 10 0 0.40 0.40 9 10 0 0.30 0.40 10 -10 0 28.30 1.90 -10 -10 0 29.20 1.80 10 -10 0 34.90 2.60 10 -10 0 25.70 1.50 -10 -10 0 28.80 1.60 10 -10 0 24.90 2.50 -10 -10 0 30.10 1.30 10 10 0 32.20 2.50 10 10 0 28.60 2.10 -10 10 0 27.20 1.70 11 -10 0 17.20 1.40 -11 -10 0 17.80 1.30 11 10 0 15.60 1.40 11 10 0 16.80 1.20 11 10 0 18.80 1.20 12 -10 0 0.30 0.30 -12 -10 0 0.70 0.40 12 -10 0 0.50 0.30 12 10 0 -0.10 0.40 12 10 0 0.60 0.30 0 -11 0 -0.20 0.30 0 -11 0 -2.50 2.10 0 -11 0 0.00 0.40 0 -11 0 0.30 0.50 0 -11 0 0.10 0.50 0 11 0 0.20 0.50 0 11 0 0.20 0.50 0 11 0 1.30 2.30 0 11 0 0.20 0.30 0 11 0 0.30 0.50 1 -11 0 0.20 0.50 1 -11 0 -0.30 0.40 1 -11 0 -0.50 1.70 1 -11 0 -0.10 0.40 -1 -11 0 0.10 0.50 1 -11 0 0.00 0.50 -1 -11 0 -6.70 2.80 -1 -11 0 -0.60 0.20 -1 -11 0 -0.10 0.60 -1 -11 0 -0.30 0.40 1 11 0 -0.10 0.50 1 11 0 -1.60 3.70 -1 11 0 -0.30 0.50 -1 11 0 -0.20 0.30 -1 11 0 -0.70 0.50 -1 11 0 0.90 2.00 1 11 0 0.00 0.40 -1 11 0 0.20 0.40 1 11 0 -0.10 0.30 2 -11 0 1.30 0.70 -2 -11 0 1.30 0.50 -2 -11 0 0.60 0.60 -2 -11 0 0.80 0.70 2 -11 0 4.90 2.00 2 -11 0 1.40 0.50 -2 -11 0 1.40 0.50 2 -11 0 1.60 0.60 2 -11 0 0.90 0.60 2 -11 0 0.80 0.50 -2 11 0 0.10 0.60 2 11 0 1.00 0.60 -2 11 0 0.60 1.60 2 11 0 1.80 0.80 -2 11 0 1.80 0.70 -2 11 0 1.10 0.40 -2 11 0 2.00 0.70 2 11 0 1.30 0.40 -3 -11 0 25.50 1.80 3 -11 0 30.60 2.00 3 -11 0 27.90 3.70 3 -11 0 28.30 2.30 3 -11 0 29.10 2.10 3 -11 0 31.20 2.20 -3 -11 0 27.20 1.80 -3 -11 0 29.50 2.00 3 -11 0 27.10 2.20 3 11 0 32.00 2.30 3 11 0 30.50 2.00 3 11 0 26.40 2.30 -3 11 0 24.10 1.90 -3 11 0 26.90 2.20 -3 11 0 29.80 2.50 -3 11 0 32.80 2.10 -3 11 0 29.90 3.80 4 -11 0 11.80 1.40 -4 -11 0 12.30 1.20 4 -11 0 9.70 2.60 4 -11 0 15.60 1.80 -4 -11 0 13.90 1.40 -4 -11 0 14.20 1.40 4 -11 0 11.90 1.20 4 -11 0 14.50 1.60 4 -11 0 13.10 1.40 4 11 0 13.30 1.50 -4 11 0 9.80 1.60 -4 11 0 11.90 1.30 -4 11 0 13.20 1.40 4 11 0 15.30 1.60 -4 11 0 16.90 3.40 -4 11 0 8.70 1.50 4 11 0 15.20 1.70 5 -11 0 -0.70 0.30 5 -11 0 -0.20 0.40 5 -11 0 -0.10 0.50 5 -11 0 2.00 1.60 5 -11 0 0.00 0.40 -5 -11 0 -1.50 0.40 -5 -11 0 0.60 0.50 5 -11 0 -0.50 0.40 5 11 0 0.20 0.30 -5 11 0 -0.50 0.70 -5 11 0 0.30 0.40 5 11 0 0.70 0.60 -5 11 0 -1.00 0.60 5 11 0 -0.70 0.50 6 -11 0 3.90 1.80 6 -11 0 2.70 0.90 6 -11 0 2.70 0.70 -6 -11 0 4.10 0.80 6 -11 0 2.40 0.60 6 -11 0 2.70 0.70 6 -11 0 2.90 0.70 -6 -11 0 3.00 0.70 -6 11 0 3.30 1.00 6 11 0 3.20 0.70 6 11 0 2.70 0.90 6 11 0 4.10 0.90 -6 11 0 2.10 0.90 -6 11 0 4.90 0.90 7 -11 0 6.30 1.20 -7 -11 0 10.40 1.20 7 -11 0 8.70 1.10 7 -11 0 7.70 1.20 7 -11 0 7.70 1.10 -7 -11 0 8.60 1.00 -7 11 0 7.20 1.50 7 11 0 6.70 1.00 7 11 0 9.40 1.20 -7 11 0 7.60 1.10 8 -11 0 -0.20 0.40 8 -11 0 0.00 0.40 -8 -11 0 0.50 0.40 8 -11 0 0.30 0.40 8 -11 0 0.40 0.40 -8 -11 0 0.60 0.40 8 11 0 0.00 0.30 8 11 0 0.70 0.40 -8 11 0 -0.40 0.40 -8 11 0 0.10 1.20 8 11 0 0.40 0.60 9 -11 0 5.80 1.10 9 -11 0 5.60 0.90 -9 -11 0 5.00 0.90 -9 -11 0 6.40 0.90 9 -11 0 5.50 0.90 9 -11 0 4.40 0.80 -9 11 0 6.10 0.90 9 11 0 3.40 1.10 9 11 0 5.80 0.80 9 11 0 7.40 1.30 -9 11 0 3.40 1.00 -10 -11 0 0.90 0.30 10 -11 0 0.90 0.40 -10 -11 0 1.20 0.40 10 -11 0 1.00 0.50 10 -11 0 0.60 0.40 10 -11 0 0.60 0.40 10 11 0 0.80 0.40 -10 11 0 0.70 0.50 10 11 0 0.10 0.40 10 11 0 1.30 0.40 -11 -11 0 7.90 0.70 11 -11 0 8.60 0.90 11 -11 0 8.90 0.80 11 -11 0 7.10 0.70 11 11 0 7.60 0.70 11 11 0 7.70 0.70 0 -12 0 2.80 3.70 0 -12 0 -0.20 0.30 0 -12 0 -0.30 0.30 0 -12 0 0.40 0.50 0 12 0 -0.10 0.60 0 12 0 0.10 0.30 0 12 0 -1.50 0.70 -1 -12 0 17.90 1.50 1 -12 0 17.60 1.60 -1 -12 0 18.10 1.90 -1 -12 0 20.20 1.70 1 -12 0 19.60 1.70 1 -12 0 9.50 3.60 1 -12 0 18.90 1.90 -1 12 0 17.10 1.50 1 12 0 20.80 1.40 -1 12 0 18.40 1.90 -1 12 0 19.90 1.80 1 12 0 18.70 2.00 1 12 0 16.20 2.00 -1 12 0 19.40 4.50 -1 12 0 19.10 1.60 2 -12 0 46.20 5.70 -2 -12 0 40.30 2.20 -2 -12 0 39.60 2.40 2 -12 0 37.40 3.30 2 -12 0 40.80 2.40 2 -12 0 37.00 2.20 -2 12 0 34.50 2.00 2 12 0 38.40 2.80 2 12 0 38.60 1.70 -2 12 0 36.60 2.70 -2 12 0 41.10 2.30 -2 12 0 29.00 5.70 -2 12 0 42.00 3.20 2 12 0 43.20 2.30 -3 -12 0 0.10 0.40 3 -12 0 0.10 0.40 3 -12 0 -2.70 2.00 -3 -12 0 0.30 0.50 3 -12 0 0.20 0.30 -3 -12 0 -0.20 0.40 3 -12 0 -0.20 0.40 3 -12 0 0.50 0.50 3 -12 0 -0.10 0.40 3 12 0 0.10 0.60 -3 12 0 -0.20 0.50 -3 12 0 0.00 0.40 -3 12 0 0.60 0.70 3 12 0 -0.90 0.40 -3 12 0 0.30 0.40 3 12 0 0.60 0.50 -4 -12 0 21.30 1.70 4 -12 0 21.20 1.80 4 -12 0 23.70 1.60 -4 -12 0 24.20 1.60 -4 -12 0 20.70 1.60 4 -12 0 21.40 1.80 4 -12 0 23.50 2.00 4 -12 0 25.00 2.00 -4 12 0 17.80 2.40 4 12 0 24.20 2.20 -4 12 0 20.30 1.70 4 12 0 22.80 1.70 -4 12 0 22.70 1.90 4 12 0 24.60 2.00 -4 12 0 23.60 1.70 -5 -12 0 6.90 1.00 5 -12 0 5.70 1.00 5 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0.30 5 -13 0 -0.30 0.30 5 -13 0 -0.20 0.40 5 -13 0 -0.20 0.30 5 13 0 0.50 0.40 5 13 0 0.30 0.40 -5 13 0 0.40 0.80 -5 13 0 -0.30 0.40 -5 13 0 -0.10 0.30 5 13 0 0.30 0.30 -6 -13 0 -0.20 0.30 6 -13 0 0.00 0.20 6 -13 0 -0.20 0.30 -6 -13 0 -0.70 0.60 6 -13 0 -0.10 0.20 6 13 0 -0.80 0.50 6 13 0 -0.10 0.20 -6 13 0 -0.30 0.20 6 13 0 0.40 0.40 -6 13 0 -0.20 0.30 -7 -13 0 18.20 1.10 7 -13 0 18.60 1.30 7 -13 0 17.00 1.40 -7 -13 0 18.00 1.20 7 -13 0 18.70 1.20 -7 13 0 19.50 1.30 7 13 0 17.50 1.30 7 13 0 16.00 1.00 -7 13 0 19.10 1.40 8 -13 0 2.80 0.60 8 -13 0 3.80 0.60 -8 -13 0 1.50 0.40 8 -13 0 2.80 0.50 -8 -13 0 2.80 0.50 -8 13 0 3.50 0.80 8 13 0 3.30 0.60 -8 13 0 2.20 0.40 9 -13 0 0.50 0.20 9 -13 0 0.40 0.20 0 -14 0 32.50 1.80 0 -14 0 29.80 2.10 0 14 0 29.40 2.10 0 14 0 34.10 2.00 -1 -14 0 9.00 0.90 -1 -14 0 7.70 0.90 1 -14 0 6.40 0.90 1 -14 0 6.20 0.80 1 -14 0 7.70 1.00 1 14 0 8.70 1.10 1 14 0 6.50 1.30 -1 14 0 7.90 1.10 -1 14 0 7.20 0.80 -1 14 0 6.90 1.40 2 -14 0 0.10 0.30 -2 -14 0 0.60 0.70 2 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4.90 8 -7 4 29.50 1.90 -8 7 -4 33.40 2.70 8 7 4 27.00 2.20 8 7 4 31.30 2.00 8 7 4 28.50 1.80 8 7 4 33.40 2.50 8 7 4 33.60 2.60 8 7 4 28.80 3.00 -9 -7 -4 4.00 1.00 9 -7 4 1.80 0.60 -9 -7 -4 2.10 0.60 9 -7 4 2.20 0.60 9 -7 4 1.40 0.70 -9 -7 -4 2.70 0.70 9 7 4 2.70 0.70 9 7 4 4.10 0.80 9 7 4 2.20 0.70 9 7 4 2.20 0.60 9 7 4 2.00 0.60 9 7 4 2.20 0.70 -10 -7 -4 17.80 1.30 -10 -7 -4 18.80 1.30 -10 -7 -4 15.70 1.50 10 7 4 17.30 1.60 10 7 4 14.80 1.70 10 7 4 16.10 1.30 10 7 4 18.10 1.50 10 7 4 17.80 1.50 -11 -7 -4 0.20 0.30 -11 -7 -4 0.10 0.30 11 7 4 0.10 0.30 11 7 4 0.00 0.30 11 7 4 -0.90 0.40 11 7 4 0.00 0.30 11 7 4 0.40 0.30 12 7 4 0.70 0.40 12 7 4 1.20 0.30 12 7 4 0.60 0.30 15 -8 -4 5.50 0.60 -15 -8 4 5.40 0.60 15 -8 -4 5.90 0.60 15 8 -4 5.00 0.60 14 -8 -4 0.30 0.40 -14 -8 4 1.60 0.40 -14 -8 4 1.80 0.80 -14 -8 4 1.30 0.30 14 -8 -4 1.40 0.40 14 -8 -4 1.30 0.50 14 8 -4 1.40 0.30 -14 8 4 1.60 0.70 14 8 -4 0.90 0.50 14 8 -4 1.20 0.40 13 -8 -4 0.90 0.50 13 -8 -4 0.90 0.40 -13 -8 4 0.60 0.60 13 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4 34.90 3.60 -7 -8 4 36.00 2.40 7 -8 -4 37.70 2.60 7 -8 -4 32.80 2.20 7 -8 -4 40.10 2.80 7 -8 -4 35.90 2.80 7 8 -4 35.50 2.30 -7 8 4 35.90 2.10 7 8 -4 37.80 2.40 -7 8 4 33.50 3.30 7 8 -4 33.40 2.10 7 8 -4 34.90 2.50 6 -8 -4 0.30 0.50 6 -8 -4 0.10 0.40 -6 -8 4 0.60 0.40 6 -8 -4 0.00 0.50 6 -8 -4 0.40 0.50 -6 -8 4 0.90 0.80 -6 -8 4 0.60 1.30 -6 -8 4 1.20 1.80 -6 -8 4 -0.20 0.40 6 -8 -4 -1.60 0.90 6 -8 -4 0.30 0.50 6 -8 -4 -0.10 0.50 -6 -8 4 -0.40 1.00 -6 -8 4 1.40 0.50 -6 8 4 -0.10 0.80 -6 8 4 -0.20 0.30 -6 8 4 1.10 0.90 6 8 -4 -0.60 0.40 6 8 -4 -0.50 0.50 6 8 -4 0.70 0.40 5 -8 -4 0.80 0.70 -5 -8 4 3.00 0.80 5 -8 -4 2.20 0.70 5 -8 -4 1.00 1.10 -5 -8 4 3.30 2.20 -5 -8 4 2.40 1.40 5 -8 -4 1.00 0.60 -5 -8 4 0.00 1.50 5 -8 -4 1.70 0.60 5 -8 -4 0.20 1.00 5 -8 -4 2.00 0.80 -5 -8 4 1.90 0.60 -5 -8 4 2.90 1.10 -5 8 4 1.60 0.50 5 8 -4 1.70 0.40 -5 8 4 2.00 1.10 5 8 -4 1.60 0.70 5 8 -4 -1.00 2.30 -4 -8 4 23.20 1.70 -4 -8 4 23.40 3.30 -4 -8 4 16.70 1.70 4 -8 -4 22.70 1.70 4 -8 -4 20.30 1.90 4 -8 -4 19.10 1.80 4 -8 -4 25.00 3.10 -4 -8 4 24.10 1.80 4 -8 -4 23.10 1.90 -4 -8 4 21.40 1.70 4 -8 -4 25.20 1.90 -4 -8 4 21.30 1.90 4 -8 -4 21.20 1.60 -4 8 4 24.30 2.70 4 8 -4 20.60 1.70 -4 8 4 23.10 1.70 4 8 -4 18.60 1.90 4 8 -4 22.60 1.40 4 8 -4 22.40 3.10 -3 -8 4 6.40 1.60 3 -8 -4 7.50 1.30 -3 -8 4 8.80 1.30 -3 -8 4 6.70 1.30 3 -8 -4 5.40 1.20 3 -8 -4 5.90 1.50 3 -8 -4 7.50 1.00 3 -8 -4 6.30 1.00 -3 -8 4 6.20 1.20 3 -8 -4 4.80 0.90 -3 -8 4 8.10 1.00 -3 -8 4 8.00 1.10 3 8 -4 9.40 1.00 -3 8 4 5.10 1.10 -3 8 4 6.80 1.60 3 8 -4 9.30 1.50 3 8 -4 7.40 1.60 -3 8 4 9.20 1.10 2 -8 -4 78.69 3.20 -2 -8 4 77.59 3.10 2 -8 -4 79.89 5.30 2 -8 -4 77.59 3.50 -2 -8 4 79.39 4.80 -2 -8 4 76.99 3.10 -2 -8 4 79.59 3.70 2 -8 -4 79.59 3.60 2 -8 -4 82.09 3.30 -2 8 4 76.79 4.70 -2 8 4 81.69 4.00 -2 8 4 73.19 3.30 2 8 -4 75.39 3.40 2 8 -4 79.29 3.00 2 8 -4 82.49 3.50 -2 8 4 81.59 3.10 -1 -8 4 12.00 1.40 -1 -8 4 9.70 2.00 1 -8 -4 8.70 1.10 -1 -8 4 8.70 1.40 1 -8 -4 14.50 3.00 1 -8 -4 9.70 1.40 -1 -8 4 9.00 1.20 -1 -8 4 8.70 1.20 -1 -8 4 11.10 1.20 1 -8 -4 11.80 1.30 -1 8 4 8.40 1.20 -1 8 4 10.40 1.50 -1 8 4 9.60 2.20 1 8 -4 7.30 1.60 -1 8 4 10.00 1.00 1 8 -4 9.50 1.10 0 -8 -4 5.40 0.70 0 -8 4 4.80 0.80 0 -8 4 5.70 1.20 0 -8 4 2.50 1.20 0 -8 4 5.30 1.00 0 -8 -4 5.20 1.00 0 -8 -4 2.50 1.60 0 -8 -4 3.70 0.90 0 -8 4 4.10 1.00 0 -8 4 4.30 0.90 0 -8 4 3.20 0.90 0 8 -4 5.20 1.00 0 8 4 6.20 1.00 0 8 4 3.70 1.00 0 8 4 3.50 0.60 0 8 4 4.30 1.10 0 8 4 -0.60 1.60 0 8 -4 2.70 1.30 1 -8 4 161.28 6.60 1 -8 4 153.08 5.00 1 -8 4 154.38 4.70 -1 -8 -4 159.28 4.90 1 -8 4 156.78 4.90 1 -8 4 151.98 5.40 1 -8 4 157.98 4.90 -1 -8 -4 144.79 4.70 -1 -8 -4 154.38 4.20 -1 -8 -4 149.59 3.50 1 -8 4 149.69 5.70 1 8 4 145.19 4.80 1 8 4 150.48 5.00 -1 8 -4 152.88 4.50 1 8 4 158.98 5.80 1 8 4 151.88 3.60 1 8 4 151.68 4.30 -1 8 -4 165.48 6.40 -2 -8 -4 117.29 3.30 2 -8 4 108.09 3.90 2 -8 4 118.69 4.30 2 -8 4 117.99 5.50 2 -8 4 118.99 4.10 -2 -8 -4 115.69 3.80 2 -8 4 113.29 4.60 2 -8 4 121.89 4.30 -2 -8 -4 112.29 4.00 2 -8 4 122.39 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-0.20 0.20 -10 3 18 0.00 0.20 -9 -3 18 0.50 0.40 -9 -3 18 1.10 0.30 -9 3 18 -0.20 0.60 9 3 -18 0.80 0.30 -9 3 18 0.90 0.30 -8 -3 18 0.80 0.30 8 -3 -18 0.30 0.30 -8 -3 18 0.40 0.50 8 -3 -18 0.40 0.30 8 3 -18 0.50 0.30 -8 3 18 0.40 0.30 -8 3 18 1.00 0.40 -7 -3 18 1.60 0.50 7 -3 -18 1.10 0.40 7 -3 -18 1.00 0.30 -7 -3 18 1.00 0.30 -7 3 18 1.40 0.40 7 3 -18 0.90 0.30 -7 3 18 0.60 0.30 -6 -3 18 15.30 1.10 -6 -3 18 12.10 1.00 -6 -3 18 12.00 1.20 6 3 -18 13.30 1.00 6 3 -18 9.50 0.80 -6 3 18 10.90 0.80 -6 3 18 12.90 1.00 -5 -3 18 6.10 0.90 -5 -3 18 4.50 0.60 5 -3 -18 4.50 0.60 -5 3 18 5.50 0.60 -5 3 18 5.50 0.60 5 3 -18 4.70 0.50 5 3 -18 4.80 0.60 -4 -3 18 0.00 0.20 -4 -3 18 0.00 0.20 4 -3 -18 -0.20 0.20 4 3 -18 -0.60 0.20 -4 3 18 -0.10 0.40 4 3 -18 -0.10 0.20 -11 4 18 2.70 0.50 11 4 -18 2.40 0.50 -10 -4 18 0.80 0.30 10 -4 -18 0.50 0.30 -10 4 18 0.90 0.30 10 4 -18 1.00 0.30 9 -4 -18 0.90 0.30 -9 -4 18 0.90 0.60 -9 -4 18 1.30 0.30 -9 4 18 0.90 0.30 9 4 -18 0.60 0.30 8 -4 -18 4.90 0.90 -8 -4 18 5.00 0.60 8 -4 -18 5.50 0.60 -8 -4 18 5.70 0.90 8 4 -18 5.60 0.90 -8 4 18 7.00 0.80 7 -4 -18 0.80 0.30 -7 -4 18 0.30 0.50 -7 -4 18 0.40 0.30 -7 4 18 0.50 0.30 -6 -4 18 18.20 1.10 -6 -4 18 16.20 1.00 5 -4 -18 1.20 0.30 -5 -4 18 2.20 0.40 -5 -4 18 1.30 0.30 -5 4 18 0.90 0.30 5 4 -18 1.10 0.30 -9 -5 18 1.10 0.40 -9 5 18 1.00 0.30 9 5 -18 2.10 0.40 -8 -5 18 0.10 0.30 8 5 -18 0.00 0.20 -8 5 18 0.20 0.20 7 -5 -18 9.50 0.70 -7 -5 18 8.00 0.60 -7 5 18 9.60 0.80 9 0 -19 33.70 1.40 8 0 -19 0.00 0.20 -8 0 19 -0.20 0.20 -7 0 19 2.20 0.40 7 0 -19 0.80 0.30 -9 -1 19 0.20 0.20 9 -1 -19 0.30 0.20 9 1 -19 0.20 0.20 -9 1 19 -0.20 0.30 -8 -1 19 18.10 1.00 -8 1 19 15.30 0.90 8 1 -19 17.30 0.90 -7 -1 19 10.10 0.70 7 1 -19 11.70 1.00 -7 1 19 9.20 0.70 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 21004 _shelx_res_file ; TITL JTM1789a_0m_a.res in P2(1)/n JTM1789a_0m_a.res created by SHELXL-2019/1 at 14:01:36 on 03-Jun-2023 REM Old TITL JTM1789a_0m in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.221, Rweak 0.004, Alpha 0.027 REM 0.328 for 251 systematic absences, Orientation as input REM Formula found by SHELXT: C28 N4 O6 CELL 1.54178 14.4848 12.5663 15.2708 90.000 116.424 90.000 ZERR 8.000 0.0003 0.0002 0.0003 0.000 0.001 0.000 LATT 1 SYMM 1/2-X, 1/2+Y, 1/2-Z SFAC C H N O UNIT 96 104 24 32 TEMP -33 SIZE 0.086 0.163 0.248 L.S. 5 BOND $H LIST 4 FMAP 2 PLAN 5 CONF MPLA C3 N3 O3 O4 MPLA C1 > C6 MPLA C1 C6 N1 C7 C8 N2 MPLA C15 N6 O7 O8 MPLA C13 > C18 MPLA C13 C18 N4 C19 C20 N5 EQIV $1 x+1/2, -y-1/2, z+1/2 HTAB C11 O3_$1 EQIV $2 x+1/2, -y+1/2, z+1/2 HTAB C16 O5_$2 HTAB C22 O1 ACTA 149.1 EADP C21 C21A EADP C22 C22A SADI 0.003 N4 C21 N4 C21A WGHT 0.067500 0.623000 FVAR 0.57244 0.58353 O1 4 0.588955 0.185166 0.728864 11.00000 0.06656 0.07020 = 0.05164 -0.01099 0.01103 -0.01326 O2 4 0.567516 -0.021037 0.753217 11.00000 0.05266 0.06813 = 0.04017 0.00596 0.00969 0.00367 O3 4 0.193378 -0.156446 0.265016 11.00000 0.08076 0.06565 = 0.06802 -0.01507 0.01493 -0.01620 O4 4 0.143234 -0.016128 0.178668 11.00000 0.11853 0.09782 = 0.05226 0.00535 -0.01965 -0.02174 N1 3 0.449384 0.185261 0.579026 11.00000 0.05749 0.04604 = 0.04393 -0.00477 0.01733 -0.00049 N2 3 0.442670 -0.037474 0.595202 11.00000 0.04275 0.05222 = 0.04104 0.00532 0.01507 0.00244 N3 3 0.193578 -0.060882 0.256263 11.00000 0.05708 0.06822 = 0.04989 -0.00437 0.00807 -0.01103 C1 1 0.380817 0.014935 0.508357 11.00000 0.03911 0.04706 = 0.04004 0.00230 0.01618 0.00156 C2 1 0.317742 -0.046036 0.428060 11.00000 0.04310 0.04627 = 0.04562 0.00141 0.01592 -0.00246 AFIX 43 H2 2 0.317239 -0.120587 0.432885 11.00000 -1.20000 AFIX 0 C3 1 0.255909 0.003979 0.341244 11.00000 0.04216 0.05641 = 0.04173 -0.00201 0.01197 -0.00474 C4 1 0.251352 0.113146 0.331809 11.00000 0.04945 0.05812 = 0.04301 0.00858 0.01001 0.00317 AFIX 43 H4 2 0.206429 0.145274 0.272425 11.00000 -1.20000 AFIX 0 C5 1 0.313830 0.174400 0.410989 11.00000 0.05827 0.04593 = 0.04971 0.00545 0.01704 0.00439 AFIX 43 H5 2 0.311584 0.248970 0.405576 11.00000 -1.20000 AFIX 0 C6 1 0.380494 0.126513 0.499262 11.00000 0.04476 0.04689 = 0.04073 -0.00175 0.01668 0.00220 C7 1 0.520190 0.136822 0.663201 11.00000 0.04991 0.05873 = 0.04308 -0.00568 0.01770 -0.00202 C8 1 0.505432 0.020075 0.666441 11.00000 0.04198 0.05808 = 0.03891 0.00309 0.01544 0.00215 C9 1 0.458601 0.301576 0.571883 11.00000 0.08173 0.04424 = 0.05869 -0.00962 0.01769 0.00148 AFIX 23 H9A 2 0.488141 0.332644 0.637598 11.00000 -1.20000 H9B 2 0.389883 0.332289 0.534364 11.00000 -1.20000 AFIX 0 C10 1 0.525612 0.329143 0.523136 11.00000 0.09623 0.05366 = 0.06642 0.00098 0.02415 -0.01524 AFIX 137 H10A 2 0.497112 0.297461 0.458485 11.00000 -1.50000 H10B 2 0.594651 0.301914 0.561957 11.00000 -1.50000 H10C 2 0.528319 0.405843 0.517508 11.00000 -1.50000 AFIX 0 C11 1 0.560537 -0.135241 0.765218 11.00000 0.05819 0.06468 = 0.04959 0.01334 0.01596 0.01002 AFIX 23 H11A 2 0.579346 -0.174311 0.719964 11.00000 -1.20000 H11B 2 0.490108 -0.155018 0.752061 11.00000 -1.20000 AFIX 0 C12 1 0.634130 -0.160703 0.868971 11.00000 0.11294 0.09384 = 0.04719 0.01621 0.01540 0.02696 AFIX 137 H12A 2 0.632603 -0.236554 0.880035 11.00000 -1.50000 H12B 2 0.614122 -0.122158 0.912869 11.00000 -1.50000 H12C 2 0.703298 -0.139877 0.881165 11.00000 -1.50000 AFIX 0 O5 4 0.415942 0.276007 0.779175 11.00000 0.06719 0.07030 = 0.06646 -0.01646 0.01075 -0.01637 O6 4 0.418307 0.477983 0.733916 11.00000 0.05446 0.06869 = 0.03946 -0.00096 0.00837 0.00394 O7 4 0.788012 0.683610 1.198243 11.00000 0.08135 0.06991 = 0.07132 -0.01918 0.01850 -0.01276 O8 4 0.850316 0.556134 1.301606 11.00000 0.08213 0.11191 = 0.04559 -0.00320 -0.00027 -0.02070 N4 3 0.547425 0.299755 0.932159 11.00000 0.06184 0.04442 = 0.06861 0.00034 0.00347 -0.00329 N5 3 0.543237 0.517310 0.887810 11.00000 0.04494 0.05102 = 0.03924 0.00208 0.01415 0.00300 N6 3 0.794265 0.589509 1.219662 11.00000 0.05242 0.07944 = 0.04743 -0.01061 0.01437 -0.01102 C13 1 0.607696 0.478065 0.980248 11.00000 0.03995 0.04772 = 0.04032 0.00162 0.01491 0.00192 C14 1 0.668312 0.549835 1.051906 11.00000 0.04454 0.04770 = 0.04377 0.00023 0.01750 -0.00110 AFIX 43 H14 2 0.665103 0.622919 1.037718 11.00000 -1.20000 AFIX 0 C15 1 0.733191 0.513100 1.143957 11.00000 0.04203 0.06129 = 0.04085 -0.00304 0.01381 -0.00392 C16 1 0.742553 0.406062 1.167246 11.00000 0.04952 0.06685 = 0.04463 0.00870 0.00975 0.00320 AFIX 43 H16 2 0.789513 0.382691 1.229824 11.00000 -1.20000 AFIX 0 C17 1 0.682020 0.334565 1.097313 11.00000 0.06015 0.05180 = 0.05763 0.01176 0.01107 0.00385 AFIX 43 H17 2 0.686887 0.261628 1.112391 11.00000 -1.20000 AFIX 0 C18 1 0.612992 0.369310 1.003595 11.00000 0.04629 0.04723 = 0.05004 0.00139 0.01074 -0.00015 C19 1 0.477824 0.334498 0.841120 11.00000 0.04715 0.05733 = 0.05373 -0.00808 0.01249 -0.00305 C20 1 0.484067 0.450186 0.824644 11.00000 0.04215 0.05637 = 0.04133 -0.00126 0.01395 0.00348 PART 1 C21 1 0.539685 0.188525 0.965509 21.00000 0.09410 0.04771 = 0.06255 0.00144 0.02296 -0.01111 AFIX 23 H21A 2 0.545104 0.190628 1.031782 21.00000 -1.20000 H21B 2 0.472838 0.157386 0.921877 21.00000 -1.20000 AFIX 0 C22 1 0.625095 0.121940 0.964350 21.00000 0.14664 0.05959 = 0.06500 0.00356 0.03525 0.00597 AFIX 137 H22A 2 0.621554 0.123323 0.899417 21.00000 -1.50000 H22B 2 0.617965 0.049216 0.981755 21.00000 -1.50000 H22C 2 0.690994 0.150227 1.011130 21.00000 -1.50000 AFIX 0 PART 2 SAME 0.003 C21 > C22 C21A 1 0.558480 0.180882 0.931941 -21.00000 0.09410 0.04771 = 0.06255 0.00144 0.02296 -0.01111 AFIX 23 H21C 2 0.534530 0.152573 0.865601 -21.00000 -1.20000 H21D 2 0.629601 0.157939 0.972557 -21.00000 -1.20000 AFIX 0 C22A 1 0.488108 0.150649 0.976117 -21.00000 0.14664 0.05959 = 0.06500 0.00356 0.03525 0.00597 AFIX 137 H22D 2 0.418325 0.172893 0.933020 -21.00000 -1.50000 H22E 2 0.510762 0.185404 1.039032 -21.00000 -1.50000 H22F 2 0.489736 0.074101 0.984864 -21.00000 -1.50000 AFIX 0 PART 0 C23 1 0.416461 0.589284 0.708099 11.00000 0.06129 0.07234 = 0.04491 0.00879 0.01418 0.00917 AFIX 23 H23A 2 0.481697 0.609561 0.707899 11.00000 -1.20000 H23B 2 0.405551 0.634521 0.754941 11.00000 -1.20000 AFIX 0 C24 1 0.328704 0.601003 0.607665 11.00000 0.08373 0.10144 = 0.04543 0.01160 0.00980 0.01792 AFIX 137 H24A 2 0.324461 0.674367 0.586453 11.00000 -1.50000 H24B 2 0.264740 0.581156 0.609230 11.00000 -1.50000 H24C 2 0.340219 0.555057 0.562429 11.00000 -1.50000 AFIX 0 HKLF 4 REM JTM1789a_0m_a.res in P2(1)/n REM wR2 = 0.1374, GooF = S = 1.042, Restrained GooF = 1.043 for all data REM R1 = 0.0473 for 4257 Fo > 4sig(Fo) and 0.0553 for all 5082 data REM 355 parameters refined using 2 restraints END WGHT 0.0672 0.6233 REM Highest difference peak 0.313, deepest hole -0.239, 1-sigma level 0.037 Q1 1 0.5164 0.1028 0.9753 11.00000 0.05 0.31 Q2 1 0.4765 0.1784 1.0003 11.00000 0.05 0.24 Q3 1 0.6602 -0.0953 0.9012 11.00000 0.05 0.20 Q4 1 0.6166 0.4159 0.9861 11.00000 0.05 0.19 Q5 1 0.5953 0.3397 0.9642 11.00000 0.05 0.18 ; _shelx_res_checksum 69270 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 O O1 0.58896(9) 0.18517(10) 0.72886(8) 0.0684(3) Uani d 1 . . O O2 0.56752(8) -0.02104(9) 0.75322(7) 0.0577(3) Uani d 1 . . O O3 0.19338(10) -0.15645(11) 0.26502(10) 0.0782(4) Uani d 1 . . O O4 0.14323(14) -0.01613(14) 0.17867(10) 0.1109(6) Uani d 1 . . N N1 0.44938(10) 0.18526(10) 0.57903(9) 0.0511(3) Uani d 1 . . N N2 0.44267(8) -0.03747(10) 0.59520(8) 0.0467(3) Uani d 1 . . N N3 0.19358(11) -0.06088(12) 0.25626(10) 0.0642(4) Uani d 1 . . C C1 0.38082(10) 0.01493(11) 0.50836(9) 0.0426(3) Uani d 1 . . C C2 0.31774(10) -0.04604(11) 0.42806(10) 0.0464(3) Uani d 1 . . H H2 0.317239 -0.120587 0.432885 0.056 Uiso calc 1 . . C C3 0.25591(10) 0.00398(12) 0.34124(10) 0.0492(3) Uani d 1 . . C C4 0.25135(11) 0.11315(13) 0.33181(11) 0.0541(3) Uani d 1 . . H H4 0.206429 0.145274 0.272425 0.065 Uiso calc 1 . . C C5 0.31383(12) 0.17440(12) 0.41099(11) 0.0539(3) Uani d 1 . . H H5 0.311584 0.248970 0.405576 0.065 Uiso calc 1 . . C C6 0.38049(10) 0.12651(11) 0.49926(10) 0.0450(3) Uani d 1 . . C C7 0.52019(11) 0.13682(13) 0.66320(10) 0.0517(3) Uani d 1 . . C C8 0.50543(10) 0.02007(12) 0.66644(10) 0.0473(3) Uani d 1 . . C C9 0.45860(15) 0.30158(13) 0.57188(13) 0.0666(4) Uani d 1 . . H H9A 0.488141 0.332644 0.637598 0.080 Uiso calc 1 . . H H9B 0.389883 0.332289 0.534364 0.080 Uiso calc 1 . . C C10 0.52561(17) 0.32914(14) 0.52314(14) 0.0766(5) Uani d 1 . . H H10A 0.497112 0.297461 0.458485 0.115 Uiso calc 1 . . H H10B 0.594651 0.301914 0.561957 0.115 Uiso calc 1 . . H H10C 0.528319 0.405843 0.517508 0.115 Uiso calc 1 . . C C11 0.56054(13) -0.13524(13) 0.76522(11) 0.0605(4) Uani d 1 . . H H11A 0.579346 -0.174311 0.719964 0.073 Uiso calc 1 . . H H11B 0.490108 -0.155018 0.752061 0.073 Uiso calc 1 . . C C12 0.63413(19) -0.16070(19) 0.86897(13) 0.0921(7) Uani d 1 . . H H12A 0.632603 -0.236554 0.880035 0.138 Uiso calc 1 . . H H12B 0.614122 -0.122158 0.912869 0.138 Uiso calc 1 . . H H12C 0.703298 -0.139877 0.881165 0.138 Uiso calc 1 . . O O5 0.41594(10) 0.27601(10) 0.77918(9) 0.0750(4) Uani d 1 . . O O6 0.41831(8) 0.47798(9) 0.73392(7) 0.0588(3) Uani d 1 . . O O7 0.78801(11) 0.68361(11) 1.19824(10) 0.0799(4) Uani d 1 . . O O8 0.85032(11) 0.55613(13) 1.30161(9) 0.0905(5) Uani d 1 . . N N4 0.54742(11) 0.29975(11) 0.93216(11) 0.0677(4) Uani d 1 . . N N5 0.54324(8) 0.51731(9) 0.88781(8) 0.0468(3) Uani d 1 . . N N6 0.79426(10) 0.58951(13) 1.21966(10) 0.0627(4) Uani d 1 . . C C13 0.60770(10) 0.47806(11) 0.98025(9) 0.0438(3) Uani d 1 . . C C14 0.66831(10) 0.54983(11) 1.05191(10) 0.0461(3) Uani d 1 . . H H14 0.665103 0.622919 1.037718 0.055 Uiso calc 1 . . C C15 0.73319(10) 0.51310(12) 1.14396(10) 0.0498(3) Uani d 1 . . C C16 0.74255(12) 0.40606(14) 1.16725(11) 0.0578(4) Uani d 1 . . H H16 0.789513 0.382691 1.229824 0.069 Uiso calc 1 . . C C17 0.68202(12) 0.33456(13) 1.09731(12) 0.0621(4) Uani d 1 . . H H17 0.686887 0.261628 1.112391 0.075 Uiso calc 1 . . C C18 0.61299(11) 0.36931(12) 1.00359(11) 0.0518(3) Uani d 1 . . C C19 0.47782(11) 0.33450(13) 0.84112(11) 0.0564(4) Uani d 1 . . C C20 0.48407(10) 0.45019(12) 0.82464(10) 0.0483(3) Uani d 1 . . C C21 0.5397(4) 0.1885(2) 0.9655(3) 0.0725(10) Uani d 0.584(3) A 1 H H21A 0.545104 0.190628 1.031782 0.087 Uiso calc 0.584(3) A 1 H H21B 0.472838 0.157386 0.921877 0.087 Uiso calc 0.584(3) A 1 C C22 0.6251(3) 0.1219(3) 0.9644(3) 0.0948(10) Uani d 0.584(3) A 1 H H22A 0.621554 0.123323 0.899417 0.142 Uiso calc 0.584(3) A 1 H H22B 0.617965 0.049216 0.981755 0.142 Uiso calc 0.584(3) A 1 H H22C 0.690994 0.150227 1.011130 0.142 Uiso calc 0.584(3) A 1 C C21A 0.5585(6) 0.1809(2) 0.9319(4) 0.0725(10) Uani d 0.416(3) A 2 H H21C 0.534530 0.152573 0.865601 0.087 Uiso calc 0.416(3) A 2 H H21D 0.629601 0.157939 0.972557 0.087 Uiso calc 0.416(3) A 2 C C22A 0.4881(5) 0.1506(4) 0.9761(4) 0.0948(10) Uani d 0.416(3) A 2 H H22D 0.418325 0.172893 0.933020 0.142 Uiso calc 0.416(3) A 2 H H22E 0.510762 0.185404 1.039032 0.142 Uiso calc 0.416(3) A 2 H H22F 0.489736 0.074101 0.984864 0.142 Uiso calc 0.416(3) A 2 C C23 0.41646(13) 0.58928(14) 0.70810(11) 0.0630(4) Uani d 1 . . H H23A 0.481697 0.609561 0.707899 0.076 Uiso calc 1 . . H H23B 0.405551 0.634521 0.754941 0.076 Uiso calc 1 . . C C24 0.32870(16) 0.60100(19) 0.60766(13) 0.0839(6) Uani d 1 . . H H24A 0.324461 0.674367 0.586453 0.126 Uiso calc 1 . . H H24B 0.264740 0.581156 0.609230 0.126 Uiso calc 1 . . H H24C 0.340219 0.555057 0.562429 0.126 Uiso calc 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 O1 0.0666(7) 0.0702(7) 0.0516(6) -0.0133(6) 0.0110(5) -0.0110(5) O2 0.0527(6) 0.0681(7) 0.0402(5) 0.0037(5) 0.0097(4) 0.0060(5) O3 0.0808(8) 0.0657(8) 0.0680(8) -0.0162(6) 0.0149(6) -0.0151(6) O4 0.1185(12) 0.0978(11) 0.0523(7) -0.0217(9) -0.0196(7) 0.0053(7) N1 0.0575(7) 0.0460(6) 0.0439(6) -0.0005(5) 0.0173(5) -0.0048(5) N2 0.0428(6) 0.0522(6) 0.0410(6) 0.0024(5) 0.0151(5) 0.0053(5) N3 0.0571(7) 0.0682(9) 0.0499(7) -0.0110(6) 0.0081(6) -0.0044(6) C1 0.0391(6) 0.0471(7) 0.0400(6) 0.0016(5) 0.0162(5) 0.0023(5) C2 0.0431(7) 0.0463(7) 0.0456(7) -0.0025(5) 0.0159(6) 0.0014(5) C3 0.0422(7) 0.0564(8) 0.0417(7) -0.0047(6) 0.0120(6) -0.0020(6) C4 0.0495(7) 0.0581(8) 0.0430(7) 0.0032(6) 0.0100(6) 0.0086(6) C5 0.0583(8) 0.0459(7) 0.0497(8) 0.0044(6) 0.0170(7) 0.0054(6) C6 0.0448(7) 0.0469(7) 0.0407(7) 0.0022(5) 0.0167(5) -0.0017(5) C7 0.0499(7) 0.0587(8) 0.0431(7) -0.0020(6) 0.0177(6) -0.0057(6) C8 0.0420(6) 0.0581(8) 0.0389(6) 0.0022(6) 0.0154(5) 0.0031(6) C9 0.0817(11) 0.0442(8) 0.0587(9) 0.0015(7) 0.0177(8) -0.0096(7) C10 0.0962(14) 0.0537(9) 0.0664(11) -0.0152(9) 0.0242(10) 0.0010(8) C11 0.0582(9) 0.0647(10) 0.0496(8) 0.0100(7) 0.0160(7) 0.0133(7) C12 0.1129(17) 0.0938(15) 0.0472(9) 0.0270(13) 0.0154(10) 0.0162(9) O5 0.0672(7) 0.0703(8) 0.0665(7) -0.0164(6) 0.0108(6) -0.0165(6) O6 0.0545(6) 0.0687(7) 0.0395(5) 0.0039(5) 0.0084(4) -0.0010(5) O7 0.0814(8) 0.0699(8) 0.0713(8) -0.0128(7) 0.0185(7) -0.0192(6) O8 0.0821(9) 0.1119(12) 0.0456(6) -0.0207(8) -0.0003(6) -0.0032(7) N4 0.0618(8) 0.0444(7) 0.0686(9) -0.0033(6) 0.0035(7) 0.0003(6) N5 0.0449(6) 0.0510(6) 0.0392(6) 0.0030(5) 0.0142(5) 0.0021(5) N6 0.0524(7) 0.0794(10) 0.0474(7) -0.0110(6) 0.0144(6) -0.0106(6) C13 0.0399(6) 0.0477(7) 0.0403(7) 0.0019(5) 0.0149(5) 0.0016(5) C14 0.0445(7) 0.0477(7) 0.0438(7) -0.0011(5) 0.0175(6) 0.0002(5) C15 0.0420(7) 0.0613(9) 0.0408(7) -0.0039(6) 0.0138(6) -0.0030(6) C16 0.0495(8) 0.0668(9) 0.0446(7) 0.0032(7) 0.0097(6) 0.0087(7) C17 0.0602(9) 0.0518(8) 0.0576(9) 0.0039(7) 0.0111(7) 0.0118(7) C18 0.0463(7) 0.0472(7) 0.0500(8) -0.0001(6) 0.0107(6) 0.0014(6) C19 0.0471(7) 0.0573(9) 0.0537(8) -0.0030(6) 0.0125(6) -0.0081(7) C20 0.0422(7) 0.0564(8) 0.0413(7) 0.0035(6) 0.0139(5) -0.0013(6) C21 0.094(2) 0.0477(12) 0.063(3) -0.0111(13) 0.0230(18) 0.0014(13) C22 0.147(3) 0.0596(16) 0.0650(16) 0.0060(19) 0.0352(18) 0.0036(13) C21A 0.094(2) 0.0477(12) 0.063(3) -0.0111(13) 0.0230(18) 0.0014(13) C22A 0.147(3) 0.0596(16) 0.0650(16) 0.0060(19) 0.0352(18) 0.0036(13) C23 0.0613(9) 0.0723(10) 0.0449(8) 0.0092(8) 0.0142(7) 0.0088(7) C24 0.0837(13) 0.1014(15) 0.0454(9) 0.0179(11) 0.0098(9) 0.0116(9) 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' O O 0.0492 0.0322 '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 C8 O2 C11 . . 117.00(12) ? C7 N1 C6 . . 121.81(12) ? C7 N1 C9 . . 116.86(12) ? C6 N1 C9 . . 120.86(12) ? C8 N2 C1 . . 116.94(12) ? O3 N3 O4 . . 122.46(15) ? O3 N3 C3 . . 119.25(13) ? O4 N3 C3 . . 118.29(15) ? C2 C1 N2 . . 118.15(12) ? C2 C1 C6 . . 119.35(12) ? N2 C1 C6 . . 122.50(12) ? C3 C2 C1 . . 119.25(13) ? C3 C2 H2 . . 120.4 ? C1 C2 H2 . . 120.4 ? C2 C3 C4 . . 122.36(13) ? C2 C3 N3 . . 118.81(13) ? C4 C3 N3 . . 118.83(13) ? C3 C4 C5 . . 118.82(13) ? C3 C4 H4 . . 120.6 ? C5 C4 H4 . . 120.6 ? C4 C5 C6 . . 120.52(14) ? C4 C5 H5 . . 119.7 ? C6 C5 H5 . . 119.7 ? N1 C6 C5 . . 122.24(13) ? N1 C6 C1 . . 118.12(12) ? C5 C6 C1 . . 119.62(12) ? O1 C7 N1 . . 123.01(15) ? O1 C7 C8 . . 122.88(14) ? N1 C7 C8 . . 114.10(12) ? N2 C8 O2 . . 122.29(13) ? N2 C8 C7 . . 125.80(12) ? O2 C8 C7 . . 111.89(12) ? N1 C9 C10 . . 111.37(14) ? N1 C9 H9A . . 109.4 ? C10 C9 H9A . . 109.4 ? N1 C9 H9B . . 109.4 ? C10 C9 H9B . . 109.4 ? H9A C9 H9B . . 108.0 ? C9 C10 H10A . . 109.5 ? C9 C10 H10B . . 109.5 ? H10A C10 H10B . . 109.5 ? C9 C10 H10C . . 109.5 ? H10A C10 H10C . . 109.5 ? H10B C10 H10C . . 109.5 ? O2 C11 C12 . . 106.68(15) ? O2 C11 H11A . . 110.4 ? C12 C11 H11A . . 110.4 ? O2 C11 H11B . . 110.4 ? C12 C11 H11B . . 110.4 ? H11A C11 H11B . . 108.6 ? C11 C12 H12A . . 109.5 ? C11 C12 H12B . . 109.5 ? H12A C12 H12B . . 109.5 ? C11 C12 H12C . . 109.5 ? H12A C12 H12C . . 109.5 ? H12B C12 H12C . . 109.5 ? C20 O6 C23 . . 116.99(12) ? C19 N4 C18 . . 122.06(13) ? C19 N4 C21A . . 110.1(3) ? C18 N4 C21A . . 126.2(3) ? C19 N4 C21 . . 120.3(2) ? C18 N4 C21 . . 116.4(2) ? C20 N5 C13 . . 116.92(12) ? O7 N6 O8 . . 122.89(15) ? O7 N6 C15 . . 118.61(13) ? O8 N6 C15 . . 118.49(15) ? C14 C13 N5 . . 118.24(12) ? C14 C13 C18 . . 119.19(12) ? N5 C13 C18 . . 122.57(12) ? C15 C14 C13 . . 119.46(13) ? C15 C14 H14 . . 120.3 ? C13 C14 H14 . . 120.3 ? C14 C15 C16 . . 122.21(14) ? C14 C15 N6 . . 119.06(14) ? C16 C15 N6 . . 118.73(13) ? C17 C16 C15 . . 118.77(14) ? C17 C16 H16 . . 120.6 ? C15 C16 H16 . . 120.6 ? C16 C17 C18 . . 120.60(15) ? C16 C17 H17 . . 119.7 ? C18 C17 H17 . . 119.7 ? N4 C18 C17 . . 122.21(14) ? N4 C18 C13 . . 118.09(13) ? C17 C18 C13 . . 119.69(13) ? O5 C19 N4 . . 123.26(15) ? O5 C19 C20 . . 122.57(15) ? N4 C19 C20 . . 114.17(13) ? N5 C20 O6 . . 122.66(14) ? N5 C20 C19 . . 126.01(13) ? O6 C20 C19 . . 111.33(12) ? C22 C21 N4 . . 109.1(3) ? C22 C21 H21A . . 109.9 ? N4 C21 H21A . . 109.9 ? C22 C21 H21B . . 109.9 ? N4 C21 H21B . . 109.9 ? H21A C21 H21B . . 108.3 ? C21 C22 H22A . . 109.5 ? C21 C22 H22B . . 109.5 ? H22A C22 H22B . . 109.5 ? C21 C22 H22C . . 109.5 ? H22A C22 H22C . . 109.5 ? H22B C22 H22C . . 109.5 ? C22A C21A N4 . . 99.0(4) ? C22A C21A H21C . . 112.0 ? N4 C21A H21C . . 112.0 ? C22A C21A H21D . . 112.0 ? N4 C21A H21D . . 112.0 ? H21C C21A H21D . . 109.7 ? C21A C22A H22D . . 109.5 ? C21A C22A H22E . . 109.5 ? H22D C22A H22E . . 109.5 ? C21A C22A H22F . . 109.5 ? H22D C22A H22F . . 109.5 ? H22E C22A H22F . . 109.5 ? O6 C23 C24 . . 106.09(15) ? O6 C23 H23A . . 110.5 ? C24 C23 H23A . . 110.5 ? O6 C23 H23B . . 110.5 ? C24 C23 H23B . . 110.5 ? H23A C23 H23B . . 108.7 ? C23 C24 H24A . . 109.5 ? C23 C24 H24B . . 109.5 ? H24A C24 H24B . . 109.5 ? C23 C24 H24C . . 109.5 ? H24A C24 H24C . . 109.5 ? H24B C24 H24C . . 109.5 ? 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 O1 C7 . 1.2156(18) ? O2 C8 . 1.3308(16) ? O2 C11 . 1.456(2) ? O3 N3 . 1.2084(19) ? O4 N3 . 1.2178(19) ? N1 C7 . 1.3789(18) ? N1 C6 . 1.3938(17) ? N1 C9 . 1.4762(19) ? N2 C8 . 1.2856(18) ? N2 C1 . 1.3920(16) ? N3 C3 . 1.4563(18) ? C1 C2 . 1.3886(18) ? C1 C6 . 1.4088(19) ? C2 C3 . 1.3777(19) ? C2 H2 . 0.9400 ? C3 C4 . 1.378(2) ? C4 C5 . 1.378(2) ? C4 H4 . 0.9400 ? C5 C6 . 1.3975(19) ? C5 H5 . 0.9400 ? C7 C8 . 1.487(2) ? C9 C10 . 1.503(3) ? C9 H9A . 0.9800 ? C9 H9B . 0.9800 ? C10 H10A . 0.9700 ? C10 H10B . 0.9700 ? C10 H10C . 0.9700 ? C11 C12 . 1.499(2) ? C11 H11A . 0.9800 ? C11 H11B . 0.9800 ? C12 H12A . 0.9700 ? C12 H12B . 0.9700 ? C12 H12C . 0.9700 ? O5 C19 . 1.2181(18) ? O6 C20 . 1.3320(16) ? O6 C23 . 1.450(2) ? O7 N6 . 1.219(2) ? O8 N6 . 1.2234(19) ? N4 C19 . 1.376(2) ? N4 C18 . 1.3906(19) ? N4 C21A . 1.503(3) ? N4 C21 . 1.509(3) ? N5 C20 . 1.2809(18) ? N5 C13 . 1.3909(16) ? N6 C15 . 1.4597(19) ? C13 C14 . 1.3880(19) ? C13 C18 . 1.406(2) ? C14 C15 . 1.3771(19) ? C14 H14 . 0.9400 ? C15 C16 . 1.382(2) ? C16 C17 . 1.372(2) ? C16 H16 . 0.9400 ? C17 C18 . 1.402(2) ? C17 H17 . 0.9400 ? C19 C20 . 1.485(2) ? C21 C22 . 1.500(5) ? C21 H21A . 0.9800 ? C21 H21B . 0.9800 ? C22 H22A . 0.9700 ? C22 H22B . 0.9700 ? C22 H22C . 0.9700 ? C21A C22A . 1.500(5) ? C21A H21C . 0.9800 ? C21A H21D . 0.9800 ? C22A H22D . 0.9700 ? C22A H22E . 0.9700 ? C22A H22F . 0.9700 ? C23 C24 . 1.502(2) ? C23 H23A . 0.9800 ? C23 H23B . 0.9800 ? C24 H24A . 0.9700 ? C24 H24B . 0.9700 ? C24 H24C . 0.9700 ? 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 C11 H11A O3 4_656 0.98 2.59 3.250(2) 125 yes C16 H16 O5 4_666 0.94 2.58 3.2624(19) 130 yes C22 H22A O1 . 0.97 2.55 3.487(4) 162 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 C8 N2 C1 C2 . . . . 175.40(12) ? C8 N2 C1 C6 . . . . -4.29(19) ? N2 C1 C2 C3 . . . . -179.92(12) ? C6 C1 C2 C3 . . . . -0.21(19) ? C1 C2 C3 C4 . . . . -2.4(2) ? C1 C2 C3 N3 . . . . 177.23(12) ? O3 N3 C3 C2 . . . . 3.8(2) ? O4 N3 C3 C2 . . . . -176.32(17) ? O3 N3 C3 C4 . . . . -176.54(15) ? O4 N3 C3 C4 . . . . 3.3(2) ? C2 C3 C4 C5 . . . . 2.6(2) ? N3 C3 C4 C5 . . . . -177.08(14) ? C3 C4 C5 C6 . . . . -0.1(2) ? C7 N1 C6 C5 . . . . -175.02(13) ? C9 N1 C6 C5 . . . . -3.1(2) ? C7 N1 C6 C1 . . . . 3.41(19) ? C9 N1 C6 C1 . . . . 175.31(13) ? C4 C5 C6 N1 . . . . 175.95(13) ? C4 C5 C6 C1 . . . . -2.5(2) ? C2 C1 C6 N1 . . . . -175.89(12) ? N2 C1 C6 N1 . . . . 3.80(19) ? C2 C1 C6 C5 . . . . 2.6(2) ? N2 C1 C6 C5 . . . . -177.72(12) ? C6 N1 C7 O1 . . . . 170.86(14) ? C9 N1 C7 O1 . . . . -1.3(2) ? C6 N1 C7 C8 . . . . -8.83(19) ? C9 N1 C7 C8 . . . . 178.96(13) ? C1 N2 C8 O2 . . . . 179.26(11) ? C1 N2 C8 C7 . . . . -2.2(2) ? C11 O2 C8 N2 . . . . -0.9(2) ? C11 O2 C8 C7 . . . . -179.69(12) ? O1 C7 C8 N2 . . . . -171.07(14) ? N1 C7 C8 N2 . . . . 8.6(2) ? O1 C7 C8 O2 . . . . 7.6(2) ? N1 C7 C8 O2 . . . . -172.67(12) ? C7 N1 C9 C10 . . . . 91.55(17) ? C6 N1 C9 C10 . . . . -80.74(18) ? C8 O2 C11 C12 . . . . -177.81(14) ? C20 N5 C13 C14 . . . . -176.30(12) ? C20 N5 C13 C18 . . . . 3.2(2) ? N5 C13 C14 C15 . . . . -179.71(12) ? C18 C13 C14 C15 . . . . 0.7(2) ? C13 C14 C15 C16 . . . . 1.9(2) ? C13 C14 C15 N6 . . . . -178.12(12) ? O7 N6 C15 C14 . . . . -2.0(2) ? O8 N6 C15 C14 . . . . 178.77(14) ? O7 N6 C15 C16 . . . . 178.01(15) ? O8 N6 C15 C16 . . . . -1.2(2) ? C14 C15 C16 C17 . . . . -2.7(2) ? N6 C15 C16 C17 . . . . 177.32(14) ? C15 C16 C17 C18 . . . . 0.9(3) ? C19 N4 C18 C17 . . . . 178.21(16) ? C21A N4 C18 C17 . . . . -17.8(4) ? C21 N4 C18 C17 . . . . 11.0(3) ? C19 N4 C18 C13 . . . . -0.8(2) ? C21A N4 C18 C13 . . . . 163.2(3) ? C21 N4 C18 C13 . . . . -168.0(2) ? C16 C17 C18 N4 . . . . -177.29(16) ? C16 C17 C18 C13 . . . . 1.7(2) ? C14 C13 C18 N4 . . . . 176.54(13) ? N5 C13 C18 N4 . . . . -3.0(2) ? C14 C13 C18 C17 . . . . -2.5(2) ? N5 C13 C18 C17 . . . . 177.98(13) ? C18 N4 C19 O5 . . . . -176.01(16) ? C21A N4 C19 O5 . . . . 17.7(3) ? C21 N4 C19 O5 . . . . -9.3(3) ? C18 N4 C19 C20 . . . . 3.7(2) ? C21A N4 C19 C20 . . . . -162.6(3) ? C21 N4 C19 C20 . . . . 170.4(2) ? C13 N5 C20 O6 . . . . 179.47(12) ? C13 N5 C20 C19 . . . . 0.2(2) ? C23 O6 C20 N5 . . . . 0.5(2) ? C23 O6 C20 C19 . . . . 179.92(13) ? O5 C19 C20 N5 . . . . 176.16(15) ? N4 C19 C20 N5 . . . . -3.6(2) ? O5 C19 C20 O6 . . . . -3.2(2) ? N4 C19 C20 O6 . . . . 177.06(13) ? C19 N4 C21 C22 . . . . 106.9(3) ? C18 N4 C21 C22 . . . . -85.6(3) ? C19 N4 C21A C22A . . . . -98.8(4) ? C18 N4 C21A C22A . . . . 95.6(5) ? C20 O6 C23 C24 . . . . -173.60(14) ? _cod_database_fobs_code 2022858