#------------------------------------------------------------------------------ #$Date: 2023-03-16 04:10:54 +0100 (Thu, 16 Mar 2023) $ #$Revision: 281907 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/27/2022700.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_2022700 loop_ _publ_author_name 'Aristov, Michael M.' 'Geng, Han' 'Harris, James W.' 'Berry, John F.' _publ_section_title ; Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of \p-bonding ; _journal_coeditor_code EP3031 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first ; ; _journal_paper_doi 10.1107/S2053229623002036 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac 'C4 H8 N3 +, Cl -, C4 H7 N3, H2 O' _chemical_formula_moiety 'C4 H8 N3 +, Cl -, C4 H7 N3, H2 O' _chemical_formula_sum 'C8 H17 Cl N6 O' _chemical_formula_weight 248.72 _chemical_name_systematic ; 5-Amino-3,4-dihydro-2H-pyrrol-2-iminium chloride; 2-imino-3,4-dihydro-2H-pyrrol-5-amine monohydrate ; _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_method ; Olex2 1.5 (compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439) ; _cell_angle_alpha 90 _cell_angle_beta 108.570(5) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 19.294(3) _cell_length_b 9.4173(8) _cell_length_c 13.7430(12) _cell_measurement_reflns_used 3499 _cell_measurement_temperature 99.99 _cell_measurement_theta_max 72.641 _cell_measurement_theta_min 5.283 _cell_volume 2367.1(5) _computing_cell_refinement ; SAINT-Plus (Bruker, 2016) ; _computing_data_collection ; APEX3 (Bruker, 2016) ; _computing_data_reduction ; SAINT-Plus (Bruker, 2016) ; _computing_molecular_graphics ; OLEX2 (Dolomanov et al., 2009) ; _computing_publication_material ; OLEX2 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 99.99 _diffrn_detector 'charge-coupled device (CCD) area detector' _diffrn_detector_area_resol_mean 7.9 _diffrn_measured_fraction_theta_full 0.985 _diffrn_measured_fraction_theta_max 0.972 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker SMART APEXII' _diffrn_measurement_method '0.5\ \w and 0.5\ \f scans' _diffrn_radiation_monochromator 'equatorially mounted graphite' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0507 _diffrn_reflns_av_unetI/netI 0.0265 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 19987 _diffrn_reflns_theta_full 67.000 _diffrn_reflns_theta_max 73.376 _diffrn_reflns_theta_min 4.836 _diffrn_source 'sealed X-ray tube' _diffrn_source_current 32.0 _diffrn_source_power 1.28 _diffrn_source_voltage 40.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.809 _exptl_absorpt_correction_T_max 0.9465 _exptl_absorpt_correction_T_min 0.8524 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2016) ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.396 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 1056 _exptl_crystal_size_max 0.09 _exptl_crystal_size_mid 0.04 _exptl_crystal_size_min 0.04 _refine_diff_density_max 0.440 _refine_diff_density_min -0.239 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.028 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 151 _refine_ls_number_reflns 2322 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.028 _refine_ls_R_factor_all 0.0551 _refine_ls_R_factor_gt 0.0435 _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^)+(0.0607P)^2^+3.8293P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1082 _refine_ls_wR_factor_ref 0.1160 _reflns_number_gt 1934 _reflns_number_total 2322 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ep3031sup1.cif _cod_data_source_block 1HCl _cod_original_cell_volume 2367.0(5) _cod_database_code 2022700 _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 0.786 _shelx_estimated_absorpt_t_max 0.896 _shelx_hkl_file ; 2 0 0 6.70 0.70 -2 0 0 6.90 0.50 -2 0 0 5.60 0.50 2 0 0 4.10 0.50 2 0 0 6.30 0.70 -4 0 0 48.80 1.50 4 0 0 48.50 1.80 4 0 0 47.50 2.10 4 0 0 45.10 2.00 -4 0 0 45.60 1.60 -4 0 0 45.90 2.00 -6 0 0 29.90 2.00 -6 0 0 31.00 1.50 -6 0 0 29.10 1.50 -6 0 0 29.90 2.00 6 0 0 30.20 2.00 -6 0 0 28.60 1.80 -8 0 0 884.51 16.20 -8 0 0 898.11 16.50 -8 0 0 878.31 14.80 -8 0 0 891.21 14.50 -8 0 0 883.01 15.40 -8 0 0 891.41 16.50 10 0 0 12.50 1.60 -10 0 0 15.20 2.20 -10 0 0 12.70 2.10 -10 0 0 13.80 2.30 -10 0 0 12.30 1.80 12 0 0 8.70 1.50 12 0 0 9.50 1.40 -12 0 0 5.70 1.90 -12 0 0 7.40 2.00 -12 0 0 7.70 2.00 14 0 0 111.99 4.70 -14 0 0 104.19 6.00 14 0 0 110.99 4.30 16 0 0 22.10 2.30 16 0 0 18.20 2.20 16 0 0 22.20 1.50 16 0 0 20.80 2.40 16 0 0 26.30 2.80 -18 0 0 22.70 2.80 18 0 0 24.90 2.50 18 0 0 21.50 2.30 18 0 0 17.40 2.20 20 0 0 39.60 2.50 20 0 0 41.50 2.60 20 0 0 36.90 2.90 22 0 0 6.80 1.20 22 0 0 7.60 1.20 -1 -1 0 32.70 1.10 -1 -1 0 32.50 1.20 1 -1 0 29.70 0.90 -1 -1 0 30.50 1.00 -1 -1 0 31.40 1.10 1 -1 0 32.00 1.20 -1 1 0 32.60 1.10 -1 1 0 31.90 1.10 1 1 0 30.40 0.90 1 1 0 31.70 0.90 -1 1 0 30.60 0.90 1 1 0 30.70 1.20 3 -1 0 60.49 2.10 3 -1 0 56.19 2.10 3 -1 0 59.19 1.20 -3 -1 0 58.39 1.00 -3 -1 0 57.99 2.00 -3 -1 0 59.29 2.00 -3 -1 0 57.99 1.10 -3 -1 0 58.99 2.00 3 -1 0 57.09 2.10 -3 1 0 59.79 2.00 -3 1 0 62.99 2.00 -3 1 0 56.79 1.30 3 1 0 57.19 2.10 3 1 0 56.89 1.00 -5 -1 0 57.09 1.30 5 -1 0 55.29 2.50 -5 -1 0 58.49 2.50 -5 -1 0 60.89 2.40 -5 -1 0 54.19 2.30 5 -1 0 52.49 2.40 5 -1 0 53.69 2.60 -5 1 0 54.19 2.40 -5 1 0 53.99 2.10 5 1 0 53.09 2.50 -5 1 0 54.29 1.50 -7 -1 0 3.90 1.10 -7 -1 0 4.50 1.30 7 -1 0 1.70 1.00 -7 -1 0 5.00 0.90 7 -1 0 6.20 1.50 -7 -1 0 2.80 0.90 -7 -1 0 5.30 0.60 -7 1 0 4.90 1.20 7 1 0 4.60 1.30 -7 1 0 2.50 1.00 -7 1 0 3.50 0.90 -7 1 0 4.10 0.70 -9 -1 0 1.20 1.00 -9 -1 0 1.90 0.90 -9 -1 0 0.80 0.50 -9 -1 0 2.10 1.10 9 -1 0 0.20 1.20 -9 1 0 0.80 1.00 -9 1 0 -0.20 0.90 9 1 0 -1.20 0.80 9 1 0 0.70 1.10 -9 1 0 -0.60 0.80 -9 1 0 -0.60 0.90 11 -1 0 84.89 3.50 -11 -1 0 97.99 4.90 -11 -1 0 93.19 4.60 -11 -1 0 91.59 2.80 -11 -1 0 89.09 4.80 -11 1 0 94.29 4.80 -11 1 0 89.69 4.70 11 1 0 90.29 3.80 11 1 0 87.89 3.50 -11 1 0 91.29 4.30 -11 1 0 83.89 4.80 -13 -1 0 19.90 1.90 13 -1 0 25.40 2.30 13 -1 0 22.80 2.30 -13 -1 0 18.80 3.00 -13 -1 0 24.30 3.50 -13 -1 0 17.80 2.80 -13 1 0 25.70 3.40 -13 1 0 27.20 3.30 13 1 0 23.20 2.30 -13 1 0 22.00 3.50 -13 1 0 19.00 3.10 13 1 0 20.60 2.10 -15 -1 0 71.29 7.10 15 -1 0 83.09 3.80 15 -1 0 81.69 3.80 15 -1 0 81.99 4.00 15 -1 0 77.09 2.80 15 1 0 84.59 3.90 15 1 0 81.99 3.80 15 1 0 78.29 2.90 15 1 0 89.49 4.40 15 1 0 78.99 3.70 17 -1 0 2.70 1.30 17 -1 0 4.40 1.40 17 -1 0 5.50 0.90 17 -1 0 5.20 1.50 17 1 0 2.60 1.20 17 1 0 6.10 1.80 17 1 0 4.80 1.40 17 1 0 7.00 1.00 17 1 0 1.80 1.20 19 -1 0 15.50 2.00 19 -1 0 19.30 2.20 19 -1 0 16.70 2.20 19 1 0 16.10 2.10 19 1 0 16.30 2.10 19 1 0 15.40 2.00 21 -1 0 2.80 1.10 21 -1 0 3.00 1.20 21 -1 0 4.30 1.20 21 1 0 2.80 1.30 21 1 0 5.60 1.10 21 1 0 6.50 1.20 0 -2 0 113.49 3.00 0 -2 0 110.99 2.80 0 -2 0 112.79 2.60 0 -2 0 104.09 3.00 0 2 0 109.59 2.60 0 2 0 115.69 2.90 0 2 0 111.59 2.80 2 -2 0 111.79 3.20 2 -2 0 113.89 2.50 -2 -2 0 112.19 3.10 2 -2 0 110.09 3.10 -2 -2 0 113.89 3.00 -2 -2 0 110.89 3.20 -2 -2 0 112.79 2.70 2 -2 0 111.99 3.30 2 2 0 113.49 2.40 -2 2 0 108.89 3.10 -2 2 0 111.39 3.00 2 2 0 109.69 2.30 -2 2 0 110.89 2.70 2 2 0 111.89 3.10 4 -2 0 110.89 3.60 -4 -2 0 112.19 2.70 -4 -2 0 110.79 3.30 4 -2 0 104.09 3.50 -4 -2 0 113.09 3.50 4 -2 0 111.09 3.60 -4 -2 0 110.49 3.40 4 -2 0 110.89 2.00 -4 2 0 110.79 3.40 -4 2 0 113.09 3.40 -4 2 0 111.49 2.50 4 2 0 108.69 1.80 4 2 0 107.09 3.50 -6 -2 0 345.67 7.80 -6 -2 0 355.96 7.80 6 -2 0 360.36 8.20 -6 -2 0 354.26 7.80 6 -2 0 351.06 8.30 -6 -2 0 348.97 6.30 6 -2 0 360.36 8.30 -6 2 0 357.36 7.80 -6 2 0 348.97 7.50 -6 2 0 371.16 7.80 -6 2 0 346.27 5.90 6 2 0 339.07 8.10 -8 -2 0 -0.40 0.60 -8 -2 0 0.10 0.90 8 -2 0 -1.00 0.90 -8 -2 0 -0.40 0.80 8 -2 0 -1.10 0.80 -8 -2 0 1.00 0.90 -8 2 0 0.60 0.50 8 2 0 -1.50 0.80 8 2 0 -0.70 0.90 -8 2 0 0.10 0.90 -8 2 0 0.40 0.90 -8 2 0 -1.70 0.80 -8 2 0 0.00 0.90 -10 -2 0 58.89 2.40 -10 -2 0 62.29 3.70 -10 -2 0 62.09 3.50 -10 -2 0 62.69 3.60 -10 -2 0 58.39 3.50 10 -2 0 54.59 4.00 10 2 0 59.79 3.00 -10 2 0 67.79 3.60 10 2 0 70.79 4.10 -10 2 0 58.59 3.70 -10 2 0 60.29 2.30 -10 2 0 63.59 3.90 -12 -2 0 12.90 2.40 -12 -2 0 8.70 2.10 12 -2 0 16.80 1.80 12 -2 0 15.60 2.80 -12 -2 0 14.20 2.60 -12 -2 0 17.20 1.80 -12 -2 0 20.80 2.80 12 2 0 14.20 1.90 12 2 0 12.60 1.60 -12 2 0 17.80 2.90 -12 2 0 14.90 2.50 -12 2 0 18.20 3.00 -12 2 0 16.60 1.80 14 -2 0 14.50 2.10 -14 -2 0 16.00 3.40 14 -2 0 14.70 2.00 14 -2 0 13.20 1.90 -14 -2 0 14.60 2.20 14 2 0 14.40 1.70 14 2 0 15.20 2.30 14 2 0 15.20 1.90 -14 2 0 20.20 3.40 14 2 0 13.00 1.90 14 2 0 11.00 1.90 -14 2 0 15.70 3.10 -14 2 0 14.30 2.10 16 -2 0 6.90 1.60 16 -2 0 5.80 1.00 16 -2 0 3.10 1.40 16 -2 0 7.00 1.70 16 2 0 5.70 1.10 16 2 0 3.00 1.40 16 2 0 2.50 1.30 16 2 0 5.70 1.60 16 2 0 4.00 1.50 16 2 0 3.00 1.30 18 -2 0 29.50 2.70 18 -2 0 34.10 2.80 18 -2 0 31.30 2.80 18 -2 0 29.60 1.40 18 2 0 33.80 3.30 18 2 0 34.30 2.90 18 2 0 26.40 2.50 18 2 0 28.60 1.60 18 2 0 33.60 2.70 18 2 0 27.60 2.70 20 -2 0 28.90 2.40 20 -2 0 30.20 2.40 20 -2 0 27.30 2.30 20 2 0 24.40 2.20 20 2 0 24.50 2.40 22 -2 0 0.00 0.90 22 2 0 0.90 0.80 -1 -3 0 789.22 13.30 1 -3 0 750.42 12.20 -1 -3 0 785.02 13.40 1 -3 0 769.82 13.50 -1 -3 0 761.32 13.50 1 -3 0 771.02 13.60 1 -3 0 786.62 13.10 1 -3 0 792.42 12.80 -1 -3 0 774.02 12.60 -1 3 0 773.12 13.20 -1 3 0 782.62 13.90 -1 3 0 780.72 13.20 1 3 0 745.83 12.40 1 3 0 769.72 13.20 -1 3 0 776.42 12.80 1 3 0 734.73 13.70 3 -3 0 25.40 1.90 3 -3 0 27.00 2.10 -3 -3 0 23.10 1.60 -3 -3 0 23.20 1.80 -3 -3 0 23.90 1.80 3 -3 0 25.40 1.90 -3 -3 0 23.60 2.10 3 -3 0 26.00 1.30 3 3 0 24.70 1.70 -3 3 0 20.00 1.80 3 3 0 22.70 1.20 -3 3 0 19.30 1.90 -3 3 0 27.10 1.60 3 3 0 21.60 1.90 -3 3 0 24.50 1.80 5 -3 0 121.09 4.50 -5 -3 0 117.89 4.20 -5 -3 0 112.49 4.00 5 -3 0 120.99 4.40 -5 -3 0 124.19 4.20 5 -3 0 117.09 4.30 5 3 0 120.19 4.20 -5 3 0 120.19 3.40 5 3 0 110.99 4.20 -5 3 0 125.09 4.30 -5 3 0 123.09 4.30 5 3 0 113.79 3.60 -5 3 0 108.89 3.90 -7 -3 0 -0.30 0.80 7 -3 0 -0.30 1.20 -7 -3 0 1.90 1.00 -7 -3 0 1.70 1.10 7 -3 0 -0.10 0.90 -7 -3 0 0.30 0.70 -7 3 0 -0.40 1.00 -7 3 0 -0.10 0.90 -7 3 0 0.50 0.90 7 3 0 1.30 1.10 -7 3 0 0.80 0.70 -7 3 0 0.20 1.00 -9 -3 0 228.68 5.60 9 -3 0 242.18 7.90 -9 -3 0 217.28 7.00 -9 -3 0 211.48 6.90 9 -3 0 219.98 7.40 -9 -3 0 215.38 7.00 -9 -3 0 216.28 6.90 -9 3 0 219.18 6.80 9 3 0 222.48 7.40 -9 3 0 227.08 6.80 -9 3 0 224.88 5.40 -9 3 0 215.58 7.00 9 3 0 218.08 6.10 -9 3 0 221.08 7.30 -11 -3 0 33.30 3.50 11 -3 0 40.10 2.70 -11 -3 0 40.20 4.10 -11 -3 0 37.60 3.60 11 -3 0 42.10 4.50 -11 -3 0 38.90 2.60 -11 -3 0 40.70 3.90 11 -3 0 26.20 3.20 -11 3 0 37.80 2.40 11 3 0 40.60 4.30 -11 3 0 46.00 4.30 -11 3 0 38.80 3.90 11 3 0 35.30 2.70 -11 3 0 42.10 4.10 11 3 0 34.40 2.40 13 -3 0 69.99 3.60 13 -3 0 65.59 5.30 -13 -3 0 62.49 4.40 -13 -3 0 69.09 5.00 13 -3 0 72.09 3.70 13 -3 0 67.99 4.50 -13 -3 0 68.99 3.70 -13 3 0 70.89 3.50 -13 3 0 65.49 4.80 13 3 0 71.39 3.90 13 3 0 67.49 3.50 13 3 0 73.99 3.80 15 -3 0 6.60 3.00 15 -3 0 3.20 1.40 15 -3 0 3.20 1.30 15 -3 0 6.30 1.20 15 -3 0 6.90 1.60 15 3 0 5.90 1.20 15 3 0 2.60 1.30 15 3 0 4.30 1.30 -15 3 0 5.30 2.50 15 3 0 5.30 1.70 15 3 0 4.80 1.50 17 -3 0 1.20 1.30 17 -3 0 3.80 0.90 17 -3 0 4.90 1.50 17 -3 0 3.20 1.30 17 3 0 2.10 1.30 17 3 0 2.80 1.40 17 3 0 1.60 1.10 17 3 0 4.00 1.60 17 3 0 4.80 1.10 19 -3 0 9.60 1.70 19 -3 0 7.10 1.50 19 -3 0 7.10 1.50 19 3 0 6.70 1.50 19 3 0 8.60 1.90 19 3 0 10.50 1.80 19 3 0 9.10 0.80 19 3 0 5.50 1.40 21 -3 0 0.80 0.90 21 -3 0 1.80 0.90 21 3 0 0.80 0.90 0 -4 0 169.78 4.50 0 -4 0 176.48 4.30 0 -4 0 169.98 5.10 0 -4 0 175.38 5.30 0 -4 0 173.98 4.90 0 -4 0 163.28 4.60 0 4 0 164.38 5.00 0 4 0 171.28 4.50 0 4 0 172.28 5.00 0 4 0 169.78 5.50 0 4 0 172.38 4.90 -2 -4 0 17.90 2.00 2 -4 0 17.90 2.10 2 -4 0 13.40 1.90 -2 -4 0 17.70 1.70 2 -4 0 20.10 1.80 -2 -4 0 17.00 1.90 2 -4 0 18.00 2.00 -2 -4 0 14.20 1.80 -2 -4 0 15.20 1.80 -2 -4 0 17.20 2.00 -2 4 0 15.20 2.20 2 4 0 14.30 1.80 2 4 0 15.50 1.50 -2 4 0 17.10 1.70 2 4 0 16.60 1.70 2 4 0 14.50 1.80 -2 4 0 15.10 1.80 -2 4 0 20.60 2.40 -2 4 0 14.90 1.70 -4 -4 0 8.90 1.60 -4 -4 0 10.60 1.80 4 -4 0 12.70 2.10 4 -4 0 9.30 1.60 -4 -4 0 10.50 1.70 -4 -4 0 13.40 2.10 -4 -4 0 10.90 1.50 4 -4 0 9.70 1.60 -4 -4 0 11.20 1.80 4 4 0 10.50 1.70 -4 4 0 13.60 2.20 -4 4 0 11.50 1.90 -4 4 0 12.10 1.70 -4 4 0 9.70 1.40 4 4 0 10.70 1.60 -4 4 0 11.10 1.90 -6 -4 0 -0.70 1.10 -6 -4 0 -0.10 0.80 6 -4 0 0.70 1.00 -6 -4 0 -1.40 0.90 6 -4 0 -1.80 1.00 -6 -4 0 0.00 0.90 -6 -4 0 1.00 1.30 -6 -4 0 1.80 1.20 6 4 0 0.30 1.00 -6 4 0 0.40 0.80 -6 4 0 1.00 1.00 -6 4 0 0.10 1.20 -6 4 0 1.10 1.20 -6 4 0 -0.80 0.90 -8 -4 0 13.20 2.30 -8 -4 0 8.50 1.80 -8 -4 0 13.20 1.70 8 -4 0 8.60 2.00 -8 -4 0 8.30 1.80 -8 -4 0 12.80 2.20 8 -4 0 11.90 2.40 8 4 0 13.40 2.40 8 4 0 11.40 1.70 8 4 0 13.40 1.70 -8 4 0 10.40 1.60 -8 4 0 11.70 2.30 -8 4 0 10.60 2.20 -8 4 0 7.90 1.90 -8 4 0 13.50 2.20 -10 -4 0 0.60 1.40 -10 -4 0 0.40 1.20 -10 -4 0 1.30 1.50 10 -4 0 -0.20 0.80 -10 -4 0 0.80 1.00 10 -4 0 0.90 1.50 -10 -4 0 -1.00 1.40 10 -4 0 -0.40 1.30 10 4 0 0.50 1.40 -10 4 0 0.80 1.50 10 4 0 1.00 0.80 -10 4 0 -0.80 1.50 -10 4 0 -0.40 0.90 10 4 0 -0.20 0.80 -12 -4 0 48.60 4.70 12 -4 0 35.80 4.70 12 -4 0 38.70 2.90 12 -4 0 37.20 2.30 12 -4 0 25.20 3.00 -12 -4 0 40.30 3.50 12 4 0 37.30 2.70 -12 4 0 34.00 4.00 12 4 0 49.50 4.30 12 4 0 40.60 3.90 -12 4 0 33.50 3.10 12 4 0 39.80 3.70 12 4 0 35.80 3.00 14 -4 0 2.90 1.30 14 -4 0 4.10 1.40 14 -4 0 4.60 1.10 14 -4 0 3.40 1.50 14 -4 0 2.70 1.20 -14 -4 0 1.50 2.00 14 4 0 5.60 1.50 14 4 0 4.50 1.40 14 4 0 4.90 1.30 -14 4 0 -2.00 1.80 14 4 0 2.00 1.50 14 4 0 4.20 1.40 16 -4 0 7.40 1.60 16 -4 0 8.30 1.80 16 -4 0 9.90 2.00 16 -4 0 8.30 1.80 16 -4 0 8.90 1.30 16 4 0 11.40 1.60 16 4 0 10.20 1.80 16 4 0 8.00 1.80 16 4 0 9.10 1.70 16 4 0 9.50 1.80 18 -4 0 34.50 2.60 18 -4 0 30.50 1.30 18 -4 0 32.40 2.70 18 -4 0 25.70 2.50 18 4 0 28.50 1.70 18 4 0 31.30 2.70 18 4 0 27.70 2.60 18 4 0 34.60 3.20 18 4 0 29.50 2.60 20 -4 0 11.00 1.50 20 4 0 12.90 1.50 20 4 0 13.60 1.70 -1 -5 0 4.00 1.40 1 -5 0 3.40 1.20 1 -5 0 1.80 1.10 1 -5 0 3.50 1.10 -1 -5 0 2.80 1.30 -1 -5 0 2.60 1.20 1 -5 0 2.90 1.40 -1 -5 0 3.50 1.30 -1 -5 0 2.00 1.10 -1 5 0 3.80 1.50 -1 5 0 3.40 1.40 1 5 0 3.70 1.20 -1 5 0 1.40 1.20 1 5 0 3.90 1.50 -1 5 0 2.30 1.10 -1 5 0 4.10 1.30 1 5 0 3.30 1.10 -1 5 0 3.50 1.30 1 5 0 2.30 1.10 -3 -5 0 376.36 9.40 3 -5 0 377.36 9.80 -3 -5 0 377.66 8.30 -3 -5 0 350.56 8.50 3 -5 0 374.26 9.60 -3 -5 0 358.96 9.30 -3 -5 0 367.66 9.20 -3 -5 0 393.56 9.60 -3 5 0 369.86 8.40 -3 5 0 369.16 9.20 -3 5 0 362.56 9.30 3 5 0 367.66 9.20 -3 5 0 365.86 9.40 -3 5 0 364.26 10.00 3 5 0 369.66 9.00 -3 5 0 362.56 8.70 -5 -5 0 30.70 3.20 5 -5 0 33.50 3.50 5 -5 0 31.40 3.30 -5 -5 0 31.50 3.00 -5 -5 0 29.90 2.30 -5 -5 0 26.90 2.80 -5 -5 0 30.00 2.90 -5 -5 0 26.20 2.90 -5 5 0 29.10 2.30 -5 5 0 30.10 3.20 5 5 0 29.20 2.90 -5 5 0 37.70 3.80 -5 5 0 35.60 3.60 -5 5 0 29.70 3.20 5 5 0 28.20 3.00 5 5 0 26.30 2.10 7 -5 0 2.80 1.60 -7 -5 0 3.70 1.50 7 -5 0 7.60 1.30 -7 -5 0 4.30 1.70 -7 -5 0 5.90 1.50 -7 -5 0 4.60 1.90 -7 -5 0 7.20 2.00 7 -5 0 8.00 2.30 -7 -5 0 6.10 1.80 -7 5 0 4.80 1.90 -7 5 0 5.10 2.00 7 5 0 5.80 1.30 -7 5 0 6.30 1.90 -7 5 0 4.20 1.30 7 5 0 6.80 1.30 -7 5 0 6.60 2.00 7 5 0 7.60 2.00 9 -5 0 6.80 2.40 -9 -5 0 8.10 2.10 -9 -5 0 10.80 2.00 9 -5 0 11.60 1.70 9 -5 0 8.40 2.50 -9 -5 0 12.40 2.60 -9 -5 0 6.50 2.30 -9 5 0 5.20 2.20 9 5 0 10.40 1.60 9 5 0 6.90 1.40 -9 5 0 9.90 2.70 9 5 0 11.40 2.50 -9 5 0 10.40 1.90 -9 5 0 11.40 2.70 11 -5 0 26.60 4.20 11 -5 0 27.10 2.70 -11 -5 0 21.10 3.30 11 -5 0 21.90 2.30 11 -5 0 23.90 2.40 -11 -5 0 27.30 3.10 11 -5 0 30.90 3.50 -11 -5 0 27.20 3.70 11 -5 0 27.00 2.20 11 5 0 29.00 2.70 11 5 0 24.90 2.70 11 5 0 22.50 2.30 -11 5 0 28.50 4.20 11 5 0 22.50 2.60 -11 5 0 25.30 2.90 11 5 0 33.70 3.00 -13 -5 0 1.00 2.00 13 -5 0 1.50 1.30 13 -5 0 -0.30 0.90 13 -5 0 0.70 1.40 13 -5 0 0.90 1.10 13 -5 0 0.10 0.80 13 5 0 -0.20 1.00 13 5 0 1.50 1.10 13 5 0 2.80 1.50 -13 5 0 3.20 2.20 13 5 0 -0.20 1.00 13 5 0 -1.40 0.90 15 -5 0 3.30 1.50 15 -5 0 7.00 1.50 15 -5 0 5.30 1.50 -15 -5 0 10.40 2.60 15 -5 0 4.20 1.40 15 -5 0 5.70 1.10 15 5 0 3.10 1.20 15 5 0 3.90 1.30 15 5 0 5.10 1.70 15 5 0 3.40 1.30 15 5 0 5.30 1.60 17 -5 0 31.60 2.60 17 -5 0 29.30 1.60 17 -5 0 29.50 2.60 17 -5 0 27.50 2.30 17 5 0 29.30 2.60 17 5 0 28.10 2.60 17 5 0 25.10 2.30 17 5 0 29.10 3.00 17 5 0 30.20 2.00 19 -5 0 9.30 1.40 19 5 0 8.00 0.70 19 5 0 6.80 1.40 19 5 0 6.90 1.30 19 5 0 8.00 1.50 0 -6 0 76.69 4.30 0 -6 0 81.89 4.70 0 -6 0 82.59 3.40 0 6 0 79.49 3.80 0 6 0 84.39 4.60 0 6 0 77.79 3.30 0 6 0 80.49 4.00 -2 -6 0 17.10 2.50 -2 -6 0 18.30 2.40 -2 -6 0 16.20 2.50 -2 -6 0 21.40 2.80 -2 -6 0 18.80 2.60 2 -6 0 18.00 2.80 2 -6 0 16.90 2.50 -2 6 0 23.40 2.60 -2 6 0 22.30 2.90 -2 6 0 20.70 2.00 2 6 0 20.20 1.90 -2 6 0 18.10 2.50 -2 6 0 16.80 2.80 2 6 0 22.90 3.00 4 -6 0 18.20 2.80 -4 -6 0 22.50 3.00 4 -6 0 25.90 3.40 -4 -6 0 22.00 3.50 -4 -6 0 20.80 2.70 -4 -6 0 17.80 2.70 -4 6 0 21.00 2.90 -4 6 0 18.40 3.00 4 6 0 17.50 2.60 -4 6 0 24.80 3.10 -4 6 0 17.90 2.20 4 6 0 18.10 2.00 -4 6 0 20.80 3.00 4 6 0 17.20 2.60 -4 6 0 21.10 2.10 -6 -6 0 0.50 1.40 -6 -6 0 0.50 1.50 -6 -6 0 1.80 1.40 6 -6 0 -1.00 1.40 6 -6 0 0.60 1.40 -6 -6 0 1.40 1.60 -6 6 0 1.40 1.70 -6 6 0 0.20 1.00 -6 6 0 0.80 1.60 6 6 0 1.10 0.90 -6 6 0 0.40 1.00 -6 6 0 0.30 1.60 -6 6 0 1.60 1.60 6 6 0 1.40 1.50 -8 -6 0 26.80 3.10 -8 -6 0 30.90 3.80 -8 -6 0 26.10 3.40 8 -6 0 26.40 3.90 -8 6 0 23.40 3.50 8 6 0 22.20 2.20 -8 6 0 25.60 3.80 -8 6 0 21.20 2.20 -8 6 0 24.00 3.50 -8 6 0 21.30 2.70 8 6 0 21.40 2.30 10 -6 0 0.40 1.10 -10 -6 0 -0.80 1.70 10 -6 0 0.90 1.10 10 -6 0 1.20 1.00 -10 -6 0 0.10 1.80 10 6 0 1.40 1.30 -10 6 0 -0.60 1.90 10 6 0 -1.20 1.00 -10 6 0 1.40 1.20 10 6 0 0.40 1.00 -10 6 0 0.10 2.30 10 6 0 -0.90 1.20 -10 6 0 0.60 2.00 10 6 0 1.10 1.00 12 -6 0 38.30 3.30 -12 -6 0 35.60 4.20 12 -6 0 31.40 2.80 -12 -6 0 28.00 3.80 12 -6 0 34.30 2.40 12 6 0 24.80 2.70 12 6 0 27.10 2.60 -12 6 0 31.20 2.80 12 6 0 27.50 2.80 12 6 0 25.80 2.70 12 6 0 25.20 2.60 -14 -6 0 0.20 1.80 -14 -6 0 6.80 2.70 14 -6 0 4.40 1.40 14 -6 0 5.80 1.30 14 -6 0 4.60 1.60 -14 6 0 4.10 1.50 14 6 0 5.90 1.60 14 6 0 7.00 1.80 14 6 0 9.20 1.70 14 6 0 6.80 1.50 14 6 0 8.20 1.70 16 -6 0 3.60 1.30 16 -6 0 1.90 1.20 16 -6 0 2.60 0.80 16 6 0 4.50 1.30 16 6 0 1.50 1.20 -16 6 0 1.50 1.20 16 6 0 1.70 1.20 16 6 0 2.40 1.00 16 6 0 2.70 1.40 18 -6 0 0.90 1.00 18 -6 0 0.10 1.10 18 6 0 1.30 0.90 18 6 0 0.40 0.90 18 6 0 0.80 0.60 1 -7 0 36.40 5.30 1 7 0 41.20 4.30 -1 7 0 39.30 3.10 -1 7 0 38.30 4.20 -1 7 0 32.90 2.50 1 7 0 32.00 2.50 -3 -7 0 241.58 7.20 3 -7 0 247.38 9.10 -3 -7 0 248.68 8.60 -3 7 0 237.78 6.50 3 7 0 245.48 8.60 -3 7 0 244.68 8.00 3 7 0 226.18 6.50 -3 7 0 237.38 8.70 5 -7 0 49.90 2.50 -5 -7 0 59.89 3.90 -5 -7 0 45.80 3.00 5 -7 0 49.60 5.10 -5 -7 0 57.09 5.00 -5 7 0 50.99 4.00 5 7 0 48.40 3.00 5 7 0 47.80 3.00 -5 7 0 49.20 3.00 -5 7 0 52.89 5.00 7 -7 0 23.80 2.50 -7 -7 0 23.20 3.40 7 -7 0 27.10 2.70 -7 -7 0 22.60 3.10 -7 -7 0 28.30 2.70 -7 7 0 29.20 4.00 7 7 0 24.60 1.90 7 7 0 25.50 2.50 -7 7 0 24.40 2.40 -7 7 0 30.40 3.90 -7 7 0 25.90 3.90 7 7 0 18.40 2.20 9 -7 0 2.60 1.30 9 -7 0 0.90 1.10 -9 -7 0 -0.50 1.20 9 -7 0 1.00 1.30 -9 -7 0 -0.70 1.60 -9 -7 0 2.20 1.90 9 7 0 0.00 0.90 -9 7 0 0.90 1.90 9 7 0 -0.40 1.30 -9 7 0 1.00 2.40 9 7 0 0.80 1.00 -9 7 0 1.50 2.40 -9 7 0 2.20 1.30 11 -7 0 15.20 2.10 -11 -7 0 18.80 3.20 -11 -7 0 17.80 3.30 11 -7 0 13.50 2.00 11 -7 0 18.20 2.10 -11 7 0 19.60 3.60 11 7 0 13.40 2.30 11 7 0 13.70 2.10 11 7 0 13.50 1.90 11 7 0 19.10 2.30 -11 7 0 15.60 2.10 13 -7 0 1.10 1.10 13 -7 0 3.60 1.30 -13 -7 0 1.80 2.10 -13 -7 0 0.20 1.70 13 -7 0 0.50 0.90 13 7 0 1.20 1.10 13 7 0 0.50 1.10 13 7 0 0.80 1.20 13 7 0 -0.60 1.00 13 7 0 1.10 1.00 -13 7 0 3.00 2.20 -13 7 0 0.20 1.10 15 -7 0 20.30 2.10 15 -7 0 22.90 1.70 15 -7 0 24.20 2.30 -15 7 0 19.50 2.00 15 7 0 23.10 2.10 15 7 0 20.30 2.20 15 7 0 23.40 2.20 15 7 0 22.40 2.20 17 -7 0 0.60 0.90 17 -7 0 0.30 0.40 17 -7 0 -0.30 1.00 17 7 0 1.20 1.00 17 7 0 0.50 0.70 17 7 0 -0.20 0.60 0 -8 0 73.89 3.60 0 -8 0 75.59 3.80 0 8 0 77.09 4.80 0 8 0 79.09 5.40 0 8 0 74.89 3.60 2 -8 0 16.90 2.00 -2 -8 0 16.50 2.60 -2 -8 0 14.10 2.00 2 -8 0 16.00 2.30 -2 8 0 13.70 1.90 -2 8 0 17.00 2.70 2 8 0 15.10 2.00 2 8 0 13.10 2.20 2 8 0 13.70 3.00 -2 8 0 21.50 3.70 2 8 0 15.10 2.50 4 -8 0 9.60 1.50 -4 -8 0 6.60 2.30 4 -8 0 7.50 1.70 -4 -8 0 7.80 1.70 4 8 0 7.40 1.70 4 8 0 4.00 1.40 -4 8 0 6.80 2.40 -4 8 0 8.70 2.30 4 8 0 6.50 1.70 -4 8 0 7.30 1.50 -6 -8 0 41.40 3.70 6 -8 0 37.30 2.90 -6 -8 0 41.00 3.00 -6 -8 0 44.40 4.50 6 -8 0 41.70 3.10 6 8 0 38.70 2.30 -6 8 0 45.60 4.50 -6 8 0 42.60 3.00 6 8 0 40.10 3.00 -6 8 0 39.80 4.60 6 8 0 44.30 3.10 8 -8 0 79.69 3.80 8 -8 0 80.39 4.00 -8 -8 0 80.89 3.80 8 -8 0 82.79 3.90 -8 -8 0 74.89 5.20 -8 -8 0 85.69 4.90 8 8 0 83.49 4.00 8 8 0 81.39 3.70 -8 8 0 78.19 3.80 -8 8 0 71.59 5.80 -8 8 0 80.19 5.10 -10 -8 0 1.20 1.20 -10 -8 0 0.70 1.60 10 -8 0 0.50 1.20 -10 -8 0 -0.70 1.80 10 -8 0 0.30 1.10 10 -8 0 1.50 1.00 10 8 0 1.40 1.10 10 8 0 0.00 1.00 -10 8 0 1.30 1.70 -10 8 0 1.50 1.10 12 -8 0 29.50 2.20 12 -8 0 30.60 2.60 12 -8 0 30.20 2.50 12 8 0 36.90 2.70 12 8 0 32.40 2.70 12 8 0 32.10 2.30 -12 8 0 31.90 2.50 12 8 0 32.70 2.70 14 -8 0 0.90 0.70 14 -8 0 -0.30 1.00 14 -8 0 -1.20 0.80 14 8 0 0.80 1.00 14 8 0 0.40 1.10 14 8 0 0.20 0.80 14 8 0 -0.70 0.90 16 -8 0 21.40 0.90 16 -8 0 20.90 1.60 16 -8 0 26.90 1.70 16 8 0 25.10 1.90 16 8 0 20.80 1.40 16 8 0 23.40 1.50 1 -9 0 1.90 1.20 1 -9 0 5.00 1.60 -1 -9 0 3.00 1.60 -1 -9 0 4.90 1.40 1 9 0 3.80 2.20 1 9 0 4.50 1.30 -1 9 0 4.60 2.20 1 9 0 4.80 1.80 -1 9 0 4.60 1.40 -1 9 0 3.80 2.30 -3 -9 0 0.60 1.00 3 -9 0 2.20 1.10 3 -9 0 1.90 1.20 -3 -9 0 1.40 1.60 -3 9 0 1.90 1.00 3 9 0 2.30 1.10 -3 9 0 4.70 2.30 3 9 0 1.20 1.30 5 -9 0 6.70 1.60 -5 -9 0 7.80 1.60 -5 -9 0 10.10 2.50 -5 9 0 6.50 1.60 5 9 0 10.60 1.60 5 9 0 9.10 1.70 5 9 0 8.80 1.40 -5 9 0 8.90 2.20 -7 -9 0 1.20 1.10 -7 -9 0 0.20 1.80 7 9 0 -0.40 0.90 7 9 0 0.90 1.00 -7 9 0 1.30 1.10 -7 9 0 0.10 1.60 -9 -9 0 2.00 1.00 9 -9 0 -0.40 1.20 9 -9 0 4.00 1.30 9 -9 0 2.70 1.10 -9 9 0 -1.30 1.00 9 9 0 0.60 0.90 9 9 0 1.10 1.10 11 -9 0 3.20 1.00 11 -9 0 2.30 1.20 11 -9 0 1.10 1.00 11 9 0 2.20 1.10 11 9 0 2.20 0.90 13 -9 0 2.10 0.90 13 -9 0 1.90 0.90 13 -9 0 0.80 0.70 13 9 0 1.70 1.00 13 9 0 1.90 0.80 0 -10 0 25.90 2.00 0 -10 0 14.90 1.90 0 10 0 21.10 2.20 0 10 0 24.30 2.60 2 -10 0 0.50 0.90 -2 -10 0 1.20 1.20 -2 -10 0 1.60 1.00 2 10 0 1.30 1.20 2 10 0 1.40 1.10 -2 10 0 0.60 1.00 -2 10 0 1.50 1.60 4 -10 0 16.10 1.80 -4 -10 0 15.60 1.90 -4 -10 0 17.00 2.10 -4 10 0 18.60 2.80 4 10 0 19.90 2.00 -4 10 0 17.80 2.00 -6 -10 0 2.10 1.30 -6 -10 0 -0.20 0.80 6 10 0 1.00 0.90 -6 10 0 -2.30 2.00 -6 10 0 2.00 1.10 -8 -10 0 9.50 1.40 -8 -10 0 15.30 1.90 8 10 0 10.40 1.60 -10 -10 0 -0.40 1.30 10 -10 0 1.10 0.80 -1 -11 0 16.20 1.70 1 -11 0 12.70 1.50 -1 11 0 16.80 1.60 -3 -11 0 12.50 1.00 3 -11 0 11.40 1.30 -3 -11 0 12.40 1.50 -3 11 0 13.50 1.70 -5 -11 0 6.80 1.00 -5 -11 0 5.30 1.00 -5 11 0 6.80 1.40 -7 -11 0 0.20 0.60 -7 -11 0 -0.90 0.80 -7 11 0 1.80 1.10 22 0 -1 0.60 0.90 20 0 -1 0.00 1.00 20 0 -1 -1.50 1.00 20 0 -1 1.00 1.00 18 0 -1 2.10 1.20 18 0 -1 -1.10 1.00 18 0 -1 -0.20 1.10 16 0 -1 0.90 0.50 16 0 -1 1.80 1.20 16 0 -1 2.10 1.30 16 0 -1 1.30 1.10 16 0 -1 1.70 1.10 -14 0 1 -1.20 2.30 14 0 -1 -0.80 0.70 -14 0 1 -0.50 1.50 -14 0 1 -1.30 1.40 14 0 -1 0.80 1.00 12 0 -1 -0.10 0.80 -12 0 1 0.10 1.20 12 0 -1 1.20 0.90 -12 0 1 -0.10 1.00 -12 0 1 -0.30 1.20 -10 0 1 -0.50 1.00 -10 0 1 -0.20 0.90 -10 0 1 -0.10 0.90 -10 0 1 -0.60 0.70 -10 0 1 -0.60 0.90 -8 0 1 -0.50 0.50 -8 0 1 -0.60 0.70 8 0 -1 0.10 0.70 8 0 -1 -0.60 0.80 -8 0 1 0.30 0.60 8 0 -1 -0.10 0.90 -6 0 1 0.80 0.60 6 0 -1 -0.30 0.70 -6 0 1 -1.00 0.50 6 0 -1 0.30 0.70 6 0 -1 -0.40 0.60 6 0 -1 -0.60 0.70 4 0 -1 -0.10 0.60 4 0 -1 0.00 0.50 4 0 -1 0.10 0.60 4 0 -1 0.00 0.40 4 0 -1 0.00 0.60 2 0 -1 0.10 0.30 2 0 -1 -0.40 0.40 2 0 -1 -0.40 0.30 2 0 -1 -0.90 0.10 2 0 -1 -1.00 0.10 0 0 -1 0.30 0.20 0 0 -1 0.20 0.30 0 0 -1 0.00 0.10 0 0 -1 0.10 0.20 0 0 1 0.20 0.20 0 0 1 0.00 0.20 0 0 -1 -0.20 0.20 -2 0 -1 0.10 0.50 -2 0 -1 -0.50 0.50 -2 0 -1 -0.60 0.30 -2 0 -1 -0.40 0.60 -2 0 -1 0.10 0.30 -2 0 -1 -0.10 0.30 -4 0 -1 0.20 0.50 -4 0 -1 0.30 0.60 -4 0 -1 -0.10 0.70 -4 0 -1 -0.30 0.70 -4 0 -1 -0.10 0.30 -4 0 -1 0.40 0.50 -4 0 -1 1.00 0.70 -6 0 -1 -0.30 0.70 -6 0 -1 0.00 0.50 -6 0 -1 0.50 0.90 -6 0 -1 -0.80 0.80 -6 0 -1 0.10 0.30 -6 0 -1 -0.70 0.80 -6 0 -1 -0.10 0.50 -8 0 -1 -0.40 0.40 -8 0 -1 -0.10 0.90 -8 0 -1 0.40 1.00 -8 0 -1 0.10 1.00 -8 0 -1 0.00 0.70 -8 0 -1 -0.20 0.60 -8 0 -1 0.10 0.80 -10 0 -1 -0.20 1.20 10 0 1 0.30 0.80 -10 0 -1 0.80 0.90 -10 0 -1 1.10 1.10 -10 0 -1 -0.60 1.00 -10 0 -1 0.10 0.60 -12 0 -1 -1.50 0.80 12 0 1 0.10 0.80 -12 0 -1 0.10 1.50 -12 0 -1 -1.20 1.30 12 0 1 0.20 0.70 -12 0 -1 -0.10 1.30 14 0 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4 14.30 2.90 11 7 -4 15.70 2.30 11 7 -4 14.80 2.20 11 7 -4 15.70 2.30 11 7 -4 15.90 2.40 -11 7 4 18.30 3.90 -11 7 4 19.20 3.70 11 7 -4 12.50 2.00 11 7 -4 14.70 2.10 -9 -7 4 20.80 3.30 9 -7 -4 21.80 2.40 -9 -7 4 20.20 3.10 9 -7 -4 12.40 2.00 9 -7 -4 24.70 2.50 9 -7 -4 20.70 2.30 9 7 -4 21.70 2.60 -9 7 4 22.20 3.60 9 7 -4 15.40 2.00 9 7 -4 17.30 2.30 -9 7 4 21.30 3.80 -9 7 4 15.90 3.50 9 7 -4 15.40 2.30 9 7 -4 16.20 2.10 7 -7 -4 29.90 3.80 -7 -7 4 43.60 4.30 7 -7 -4 31.20 2.70 7 -7 -4 34.50 2.70 -7 -7 4 42.40 4.40 7 -7 -4 36.20 2.80 7 -7 -4 36.20 2.70 7 7 -4 42.20 3.10 7 7 -4 32.60 2.70 7 7 -4 38.40 4.40 -7 7 4 46.50 4.80 -7 7 4 44.20 5.10 7 7 -4 44.20 3.10 -5 -7 4 8.90 2.30 5 -7 -4 2.00 3.00 -5 -7 4 8.40 3.40 5 -7 -4 4.60 1.40 5 -7 -4 2.10 1.30 5 7 -4 6.50 2.10 -5 7 4 7.80 2.70 -5 7 4 4.60 2.30 5 7 -4 3.90 1.40 5 7 -4 5.80 1.40 5 7 -4 6.80 1.60 5 7 -4 4.30 1.50 -5 7 4 6.20 2.20 3 -7 -4 229.68 5.50 -3 -7 4 244.28 7.30 3 -7 -4 229.18 6.60 3 -7 -4 232.08 9.50 3 -7 -4 228.58 6.50 -3 7 4 242.08 8.00 3 7 -4 226.18 6.70 3 7 -4 228.38 6.50 -3 7 4 229.88 9.10 3 7 -4 223.58 6.50 3 7 -4 236.48 8.80 3 7 -4 225.08 6.40 -1 -7 4 -1.30 1.20 1 -7 -4 2.10 1.80 1 -7 -4 1.50 1.20 1 -7 -4 3.50 2.00 1 -7 -4 0.30 1.40 1 -7 -4 0.60 1.20 1 7 -4 0.40 1.00 -1 7 4 -1.20 1.60 -1 7 4 1.80 2.00 1 7 -4 2.00 1.90 1 7 -4 1.40 1.70 1 7 -4 0.80 1.10 1 -7 4 59.69 3.40 -1 -7 -4 71.89 5.10 -1 -7 -4 60.19 3.40 -1 -7 -4 53.69 5.30 -1 -7 -4 67.09 3.50 -1 7 -4 66.29 4.40 -1 7 -4 73.69 3.80 -1 7 -4 69.99 5.10 -1 7 -4 62.99 3.40 1 7 4 57.69 4.40 -3 -7 -4 87.89 4.20 3 -7 4 87.29 3.50 -3 -7 -4 84.59 3.80 3 -7 4 89.79 4.00 -3 -7 -4 89.19 5.60 -3 7 -4 89.99 5.70 -3 7 -4 86.59 3.90 3 7 4 89.09 4.40 -3 7 -4 93.39 4.70 -3 7 -4 82.49 4.00 3 7 4 80.49 3.90 -5 -7 -4 86.79 5.60 -5 -7 -4 96.79 4.30 5 -7 4 81.79 3.90 5 -7 4 87.39 3.00 -5 7 -4 94.39 5.10 -5 7 -4 82.29 3.90 -5 7 -4 89.19 6.00 -5 7 -4 92.69 4.20 5 7 4 89.69 4.10 5 7 4 88.09 3.80 -7 -7 -4 0.20 1.50 7 -7 4 0.30 1.00 -7 -7 -4 -0.60 1.80 -7 7 -4 0.10 1.00 7 7 4 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3.00 -3 3 -8 19.00 2.30 -5 -3 -8 32.10 3.50 -5 -3 -8 36.50 4.10 5 -3 8 35.80 3.00 -5 -3 -8 36.10 4.60 -5 -3 -8 29.60 2.80 -5 -3 -8 38.10 3.40 5 -3 8 32.40 2.60 5 -3 8 30.20 2.70 -5 3 -8 42.50 4.90 -5 3 -8 33.40 2.90 5 3 8 32.00 2.80 5 3 8 31.30 3.10 -5 3 -8 30.90 3.60 -7 -3 -8 31.00 2.90 -7 -3 -8 29.10 3.20 7 -3 8 32.80 2.90 7 -3 8 28.00 3.30 7 -3 8 30.30 1.80 7 -3 8 30.50 3.10 -7 -3 -8 28.20 3.50 -7 3 -8 31.70 3.80 7 3 8 29.00 2.70 -7 3 -8 27.30 4.30 7 3 8 34.10 2.70 -7 3 -8 32.90 3.20 9 -3 8 49.20 3.20 -9 -3 -8 35.80 3.90 -9 -3 -8 44.80 3.60 -9 -3 -8 51.39 3.60 9 -3 8 49.30 3.30 9 -3 8 49.10 3.20 -9 3 -8 48.40 4.40 9 3 8 44.90 2.90 -9 3 -8 54.19 3.60 11 -3 8 0.90 1.40 -11 -3 -8 1.70 1.30 -11 -3 -8 1.20 1.50 11 -3 8 3.10 1.30 -11 3 -8 0.10 1.20 -11 3 -8 1.50 2.20 11 3 8 2.00 1.10 13 -3 8 22.30 2.20 13 -3 8 24.80 2.10 -13 -3 -8 27.40 2.30 13 3 8 29.90 2.40 13 3 8 26.40 2.30 -15 -3 -8 20.80 1.60 15 -3 8 18.40 1.40 15 3 8 19.50 1.50 15 3 8 18.00 1.50 20 -4 -8 1.10 1.00 20 4 -8 -0.20 1.10 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3.50 1.30 17 -5 -8 21.30 2.20 17 5 -8 20.90 1.20 17 5 -8 19.40 2.10 17 5 -8 19.70 2.20 17 5 -8 20.10 2.60 15 -5 -8 8.70 1.70 15 -5 -8 6.40 1.60 15 -5 -8 9.00 1.00 15 -5 -8 7.40 1.70 15 5 -8 10.10 2.00 15 5 -8 8.40 1.80 15 5 -8 7.50 2.30 15 5 -8 6.10 1.70 15 5 -8 8.80 1.90 15 5 -8 6.00 1.20 13 -5 -8 11.60 1.90 13 -5 -8 13.40 2.00 13 -5 -8 11.90 2.00 13 -5 -8 13.70 1.50 13 5 -8 13.90 3.00 -13 5 8 9.20 2.90 13 5 -8 13.50 2.30 13 5 -8 9.10 3.10 13 5 -8 16.40 2.30 13 5 -8 15.20 2.30 13 5 -8 18.00 2.30 13 5 -8 15.80 1.90 11 -5 -8 19.50 2.30 11 -5 -8 21.70 2.30 11 -5 -8 27.60 2.00 11 -5 -8 26.10 2.70 11 -5 -8 20.40 3.60 11 5 -8 26.40 3.10 11 5 -8 23.30 3.60 11 5 -8 25.40 3.90 11 5 -8 26.90 2.70 11 5 -8 20.80 2.50 11 5 -8 20.80 2.30 11 5 -8 25.00 2.80 -11 5 8 25.50 3.90 9 -5 -8 1.60 1.20 9 -5 -8 0.50 1.20 9 -5 -8 1.90 1.30 9 -5 -8 -0.50 1.50 9 -5 -8 1.90 1.10 -9 -5 8 3.10 2.20 9 -5 -8 3.60 2.10 9 5 -8 5.20 1.70 9 5 -8 2.70 2.10 9 5 -8 1.80 1.20 9 5 -8 0.90 1.40 -9 5 8 0.90 1.90 9 5 -8 4.40 2.00 9 5 -8 0.70 1.40 9 5 -8 1.30 1.30 7 -5 -8 3.50 1.80 7 -5 -8 5.30 1.50 -7 -5 8 4.60 2.20 7 -5 -8 4.10 1.40 7 -5 -8 1.70 2.30 7 -5 -8 4.40 1.40 7 -5 -8 3.60 1.90 7 -5 -8 4.80 1.40 -7 -5 8 1.60 1.90 7 5 -8 2.90 1.40 7 5 -8 4.10 2.10 7 5 -8 4.50 1.70 7 5 -8 3.60 2.00 -7 5 8 3.40 2.20 -7 5 8 4.40 3.10 7 5 -8 5.40 1.70 7 5 -8 6.40 1.70 -7 5 8 5.10 2.10 7 5 -8 4.00 1.50 -5 -5 8 2.60 1.90 5 -5 -8 1.20 1.10 5 -5 -8 1.80 2.00 -5 -5 8 0.80 1.80 5 -5 -8 1.50 1.70 5 -5 -8 1.60 1.30 5 -5 -8 2.90 2.00 -5 5 8 1.90 1.80 5 5 -8 2.90 1.30 5 5 -8 1.70 2.00 5 5 -8 1.40 1.10 -5 5 8 0.90 1.80 5 5 -8 2.20 1.90 3 -5 -8 84.39 5.00 3 -5 -8 95.69 6.50 3 -5 -8 92.39 5.50 3 -5 -8 101.59 3.50 -3 -5 8 101.19 5.10 3 -5 -8 104.09 5.90 3 5 -8 99.29 4.50 -3 5 8 107.89 5.80 -3 5 8 106.09 5.50 3 5 -8 92.99 3.90 3 5 -8 99.29 5.90 -3 5 8 101.49 4.60 1 -5 -8 25.30 2.60 1 -5 -8 19.60 3.10 1 -5 -8 20.60 3.80 1 -5 -8 22.10 2.40 -1 -5 8 24.80 2.40 -1 -5 8 22.30 2.60 1 5 -8 27.00 2.80 1 5 -8 16.90 3.10 -1 5 8 25.80 2.50 1 5 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2.80 1.20 13 5 8 0.90 1.00 -13 5 -8 0.20 0.80 13 5 8 1.80 1.00 18 -6 -8 5.50 1.80 18 -6 -8 5.10 1.20 18 6 -8 6.60 1.50 16 -6 -8 0.40 1.00 16 -6 -8 -0.70 0.90 16 6 -8 0.70 0.70 16 6 -8 2.00 1.10 16 6 -8 0.70 1.00 16 6 -8 -0.30 0.90 16 6 -8 0.70 1.20 14 -6 -8 -1.50 1.10 14 -6 -8 -1.20 0.90 14 -6 -8 -0.80 0.90 14 -6 -8 -0.30 0.70 14 6 -8 0.20 0.90 14 6 -8 -1.30 1.20 14 6 -8 0.80 1.10 14 6 -8 0.20 1.10 14 6 -8 -0.60 1.20 12 -6 -8 7.40 1.60 12 -6 -8 6.10 1.60 -12 -6 8 9.60 2.80 12 -6 -8 7.10 1.60 12 -6 -8 6.90 1.30 12 6 -8 13.60 2.20 12 6 -8 6.60 1.60 12 6 -8 8.60 2.50 12 6 -8 10.10 1.70 -12 6 8 4.80 2.80 12 6 -8 10.60 2.00 12 6 -8 8.50 1.80 -10 -6 8 6.20 2.60 10 -6 -8 4.40 1.40 10 -6 -8 7.90 1.50 10 -6 -8 4.80 1.50 10 -6 -8 4.50 1.40 10 6 -8 5.80 2.60 10 6 -8 5.60 1.80 10 6 -8 5.80 1.60 10 6 -8 5.60 1.70 -10 6 8 4.30 2.70 10 6 -8 5.60 2.30 10 6 -8 4.90 1.60 -10 6 8 1.80 2.20 10 6 -8 7.90 1.70 8 -6 -8 2.80 1.30 -8 -6 8 6.50 2.40 8 -6 -8 4.70 1.40 8 -6 -8 2.50 2.10 8 -6 -8 2.90 1.40 8 -6 -8 5.20 1.50 8 6 -8 3.20 1.50 -8 6 8 3.60 2.20 8 6 -8 4.60 1.70 8 6 -8 5.90 1.70 8 6 -8 2.50 2.20 8 6 -8 5.60 2.30 8 6 -8 0.60 1.50 8 6 -8 3.90 1.50 -8 6 8 4.30 2.50 6 -6 -8 9.90 1.90 -6 -6 8 6.70 2.40 6 -6 -8 8.50 1.70 6 -6 -8 5.10 1.40 6 -6 -8 5.00 2.20 6 -6 -8 7.10 2.30 6 -6 -8 5.50 1.50 6 6 -8 9.30 1.90 6 6 -8 2.80 2.40 -6 6 8 2.90 2.30 6 6 -8 9.30 2.00 6 6 -8 4.80 1.60 4 -6 -8 0.90 1.20 4 -6 -8 1.00 1.90 -4 -6 8 1.60 1.80 4 6 -8 1.10 1.30 4 6 -8 0.90 1.50 4 6 -8 1.50 1.20 -4 6 8 0.60 1.90 4 6 -8 -0.30 1.10 4 6 -8 1.20 2.00 -4 6 8 2.40 2.10 4 6 -8 2.00 1.40 -4 6 8 0.50 1.20 2 -6 -8 0.00 1.10 -2 -6 8 0.50 1.50 2 -6 -8 0.10 1.60 2 -6 -8 0.50 1.30 2 6 -8 1.00 1.20 -2 6 8 -0.50 1.70 2 6 -8 -1.20 1.30 2 6 -8 -0.30 1.20 2 6 -8 -0.60 1.90 2 6 -8 -0.50 1.20 -2 6 8 0.00 1.10 0 -6 -8 15.60 2.10 0 -6 8 12.70 2.10 0 -6 8 12.80 2.00 0 -6 -8 12.00 2.00 0 -6 -8 9.80 2.50 0 6 -8 16.80 2.30 0 6 -8 14.80 2.10 0 6 -8 11.60 2.10 0 6 8 15.40 2.10 0 6 -8 15.90 3.40 0 6 -8 13.70 2.10 2 -6 8 16.80 2.10 -2 -6 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2.20 4 4 -10 13.80 2.10 2 -4 -10 6.60 2.20 2 -4 -10 3.10 2.30 -2 -4 10 2.60 1.30 2 -4 -10 4.90 1.40 -2 -4 10 6.10 2.10 2 4 -10 8.50 2.00 2 4 -10 5.70 1.60 2 4 -10 5.30 1.60 -2 4 10 7.40 2.50 2 4 -10 9.90 2.80 2 4 -10 4.10 2.60 -2 4 10 3.20 1.60 0 -4 -10 10.70 1.90 0 -4 10 4.70 2.10 0 -4 -10 11.10 2.70 0 -4 -10 7.40 1.90 0 -4 10 11.80 2.00 0 4 10 12.90 2.50 0 4 -10 11.70 2.00 0 4 10 10.20 1.80 0 4 -10 11.30 2.00 0 4 -10 6.60 2.80 2 -4 10 0.30 1.50 2 -4 10 0.10 1.10 -2 -4 -10 -1.40 1.40 -2 -4 -10 1.00 1.80 -2 -4 -10 -0.60 1.20 -2 4 -10 -1.10 1.10 -2 4 -10 2.60 1.60 2 4 10 -0.90 1.10 -4 -4 -10 43.40 3.30 4 -4 10 39.90 2.70 -4 -4 -10 26.40 3.60 4 -4 10 40.10 3.10 -4 -4 -10 46.40 3.50 -4 4 -10 44.70 3.40 -4 4 -10 35.50 3.40 4 4 10 41.70 2.90 4 4 10 42.50 3.40 -6 -4 -10 5.00 1.60 6 -4 10 10.10 1.90 -6 -4 -10 8.60 2.20 -6 4 -10 4.50 1.50 6 4 10 7.50 1.60 -6 4 -10 5.70 1.60 -6 4 -10 4.60 2.00 6 4 10 5.20 1.60 -8 -4 -10 3.10 1.70 -8 -4 -10 2.90 1.20 8 -4 10 0.20 1.10 8 4 10 -0.40 1.00 -8 4 -10 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-15 -0.10 1.00 11 1 -15 0.00 1.10 -9 -1 15 0.20 1.20 9 -1 -15 -0.30 1.10 9 -1 -15 1.10 1.20 9 -1 -15 -0.30 1.00 9 -1 -15 0.80 1.00 9 1 -15 0.40 1.10 9 1 -15 -0.80 1.00 7 -1 -15 1.50 1.10 -7 -1 15 1.70 1.30 7 -1 -15 1.20 1.20 7 -1 -15 1.90 1.30 7 1 -15 0.90 1.30 7 1 -15 1.30 1.10 5 -1 -15 4.80 1.30 -5 -1 15 6.60 1.50 5 1 -15 7.60 1.40 -5 1 15 4.40 1.50 3 -1 -15 -0.60 1.00 -3 -1 15 -1.00 1.60 -3 -1 15 0.40 1.10 3 1 -15 0.60 1.00 -3 1 15 1.50 1.30 -3 1 15 0.50 1.90 -1 -1 15 8.20 1.70 1 -1 -15 7.60 1.30 -1 -1 15 8.80 1.60 1 1 -15 4.80 1.20 -1 1 15 6.30 1.50 -1 1 15 11.70 1.90 -1 -1 -15 51.09 2.50 1 -1 15 51.29 2.50 1 -1 15 49.80 2.10 1 1 15 49.50 2.10 -1 1 -15 52.59 2.50 -3 -1 -15 6.50 1.10 16 -2 -15 15.60 1.40 16 -2 -15 16.80 1.50 16 2 -15 17.50 1.60 16 2 -15 17.50 1.60 14 -2 -15 1.30 0.50 14 -2 -15 0.70 1.00 14 -2 -15 2.00 1.00 14 2 -15 1.10 0.60 14 2 -15 2.30 1.20 14 2 -15 3.10 1.20 -12 -2 15 14.40 1.70 12 -2 -15 14.10 1.70 12 -2 -15 12.60 1.30 12 -2 -15 18.40 1.90 12 2 -15 16.70 1.90 12 2 -15 11.10 1.40 12 2 -15 13.00 1.60 10 -2 -15 10.70 1.60 10 -2 -15 6.70 1.30 10 -2 -15 8.80 1.60 -10 -2 15 11.40 1.60 10 2 -15 9.10 1.50 10 2 -15 7.50 1.40 10 2 -15 10.10 1.60 8 -2 -15 18.60 2.00 8 -2 -15 19.30 1.90 8 -2 -15 19.80 2.10 -8 -2 15 21.10 2.10 8 2 -15 19.50 2.00 6 -2 -15 12.90 1.80 6 -2 -15 8.60 1.40 -6 -2 15 13.60 1.90 6 -2 -15 9.90 1.80 6 2 -15 14.70 1.80 4 -2 -15 29.50 2.40 -4 -2 15 26.60 2.70 -4 -2 15 23.80 2.20 -4 2 15 27.80 2.60 4 2 -15 24.30 2.20 -2 -2 15 3.10 1.30 2 -2 -15 1.90 1.00 -2 -2 15 2.70 1.50 -2 2 15 3.60 1.90 2 2 -15 1.70 1.00 -2 2 15 3.10 1.40 0 -2 15 5.70 1.30 0 -2 15 4.20 1.20 0 -2 -15 5.30 1.20 0 2 15 6.80 1.50 0 2 -15 6.60 1.20 -2 -2 -15 4.40 1.10 2 -2 15 3.90 1.10 15 -3 -15 0.50 0.80 15 -3 -15 0.20 0.80 15 3 -15 -0.50 0.90 15 3 -15 0.20 0.90 13 -3 -15 5.20 1.20 13 -3 -15 4.10 0.70 13 -3 -15 5.50 1.30 13 3 -15 3.30 0.80 13 3 -15 4.70 1.20 13 3 -15 4.90 1.30 11 -3 -15 5.60 1.10 11 -3 -15 7.80 1.40 11 -3 -15 4.60 1.20 11 3 -15 5.20 1.20 11 3 -15 6.10 1.30 11 3 -15 6.40 1.50 9 -3 -15 -0.10 1.10 9 -3 -15 -0.60 1.00 -9 -3 15 0.20 1.00 9 -3 -15 -1.60 0.80 9 3 -15 -0.60 1.00 9 3 -15 1.10 1.00 7 -3 -15 -0.70 1.00 -7 -3 15 -1.20 0.90 7 -3 -15 0.70 1.10 7 3 -15 -0.30 1.30 7 3 -15 1.00 1.10 5 -3 -15 5.70 1.20 -5 -3 15 8.20 1.50 5 3 -15 8.80 1.50 -5 3 15 9.10 1.70 3 -3 -15 2.90 1.00 -3 -3 15 2.20 1.50 -3 -3 15 0.10 0.90 -3 3 15 1.90 1.90 3 3 -15 1.90 1.10 -1 -3 15 5.50 1.20 1 -3 -15 6.50 1.20 -1 -3 15 4.90 1.10 -1 3 15 4.50 1.50 1 3 -15 4.40 1.20 -1 -3 -15 0.90 0.90 1 -3 15 -0.90 0.80 1 3 15 0.00 0.80 14 -4 -15 1.20 0.80 14 -4 -15 -0.20 0.80 14 4 -15 0.10 0.90 12 -4 -15 0.70 0.60 12 -4 -15 0.00 0.80 12 -4 -15 -1.10 0.80 12 4 -15 -0.90 0.90 12 4 -15 0.50 0.70 12 4 -15 -1.30 0.90 10 -4 -15 0.30 0.80 10 -4 -15 0.60 0.90 10 -4 -15 -0.20 0.90 10 4 -15 1.50 0.90 10 4 -15 0.50 0.90 -8 -4 15 1.70 1.00 8 -4 -15 1.10 1.00 8 -4 -15 0.40 0.90 8 4 -15 1.70 1.10 8 4 -15 -1.50 0.90 -6 -4 15 7.20 1.30 6 -4 -15 3.80 1.10 6 4 -15 6.80 1.20 -4 -4 15 1.60 1.30 -4 -4 15 2.60 0.90 4 4 -15 1.70 1.00 -4 4 15 3.80 1.80 -2 -4 15 3.00 0.90 2 -4 -15 2.60 1.40 -2 -4 15 3.00 1.00 -2 4 15 1.80 1.50 0 -4 15 3.90 0.90 0 4 15 1.00 0.90 11 -5 -15 4.60 0.70 11 5 -15 4.40 0.90 9 -5 -15 3.10 0.80 9 5 -15 5.40 1.10 7 -5 -15 5.80 1.10 -5 -5 15 26.10 1.70 -3 -5 15 1.10 0.70 -3 5 15 1.70 1.20 14 0 -16 28.80 1.70 -12 0 16 4.50 1.20 12 0 -16 3.80 0.80 12 0 -16 6.20 1.20 12 0 -16 3.40 1.10 10 0 -16 18.50 1.80 -10 0 16 21.00 2.00 10 0 -16 20.60 1.70 -8 0 16 0.80 1.10 8 0 -16 -0.30 1.00 8 0 -16 0.50 1.00 6 0 -16 9.90 1.40 -6 0 16 10.00 1.60 6 0 -16 6.50 1.40 -4 0 16 22.70 2.50 -4 0 16 28.70 2.30 4 0 -16 21.00 1.80 -2 0 16 58.99 2.60 2 0 -16 60.49 2.60 -2 0 16 60.79 2.60 0 0 16 63.29 1.70 0 0 -16 69.19 2.40 13 -1 -16 8.90 1.20 13 -1 -16 4.90 0.60 13 1 -16 10.60 1.30 13 1 -16 9.90 1.30 13 1 -16 7.10 0.80 11 -1 -16 0.00 0.70 11 -1 -16 -1.30 0.90 11 -1 -16 0.40 0.90 -11 -1 16 1.00 1.00 11 1 -16 1.40 0.80 11 1 -16 -1.60 0.90 9 -1 -16 5.70 1.20 -9 -1 16 3.50 1.20 9 -1 -16 3.10 1.20 -9 1 16 3.50 1.20 9 1 -16 1.50 1.00 9 1 -16 4.90 1.20 7 -1 -16 0.10 1.10 7 -1 -16 1.00 1.00 -7 -1 16 2.60 1.10 -7 1 16 1.80 1.30 7 1 -16 2.00 1.10 7 1 -16 2.70 1.10 -5 -1 16 0.80 1.00 -5 -1 16 3.40 1.70 5 -1 -16 2.30 1.10 -5 1 16 5.60 2.00 5 1 -16 0.20 1.00 -5 1 16 3.50 1.30 -3 -1 16 14.90 1.70 3 -1 -16 15.10 1.60 -3 -1 16 18.90 2.00 -3 1 16 18.40 1.80 3 1 -16 13.40 1.50 -3 1 16 18.30 2.10 1 -1 -16 1.00 0.90 -1 -1 16 0.90 0.80 -1 -1 16 1.10 1.00 1 1 -16 -1.20 0.80 -1 1 16 1.60 0.90 12 -2 -16 2.90 1.00 12 -2 -16 1.40 0.60 12 -2 -16 3.20 1.00 12 2 -16 3.50 1.00 12 2 -16 2.20 0.70 10 -2 -16 0.20 0.90 10 -2 -16 0.10 0.80 -10 -2 16 1.80 1.00 10 2 -16 1.00 0.90 10 2 -16 0.40 0.90 -8 -2 16 7.80 1.30 8 -2 -16 6.90 1.20 8 -2 -16 6.60 1.20 8 2 -16 7.40 1.30 8 2 -16 6.70 1.30 -8 2 16 6.80 1.50 -6 -2 16 1.60 1.00 6 -2 -16 0.70 1.10 6 -2 -16 1.20 1.00 6 2 -16 2.00 1.50 6 2 -16 0.40 1.00 -6 2 16 2.80 1.30 -4 -2 16 11.20 1.40 -4 -2 16 8.10 1.70 4 -2 -16 11.80 1.40 -4 2 16 13.60 1.60 -4 2 16 12.60 2.10 4 2 -16 9.80 1.40 -2 -2 16 2.40 1.00 -2 -2 16 3.50 1.00 2 -2 -16 2.10 1.00 2 2 -16 3.50 1.00 -2 2 16 3.10 1.20 11 -3 -16 2.70 0.70 11 -3 -16 2.90 0.90 11 3 -16 3.60 0.80 11 3 -16 3.30 1.00 -9 -3 16 0.50 1.20 9 -3 -16 0.10 0.80 9 3 -16 1.30 0.90 9 3 -16 1.10 0.90 -7 -3 16 1.50 0.90 7 -3 -16 1.40 0.90 -7 3 16 0.50 1.20 7 3 -16 1.00 0.90 7 3 -16 -0.20 0.90 -5 -3 16 7.30 1.60 -5 -3 16 5.20 1.00 5 3 -16 7.10 1.10 -5 3 16 7.70 2.00 -3 -3 16 0.60 0.70 -3 -3 16 0.00 0.70 -3 3 16 0.70 1.10 -8 0 17 -0.50 0.80 -6 0 17 -0.80 1.20 -7 -1 17 4.60 1.30 7 1 -17 4.70 1.30 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 59749 _shelx_res_file ; TITL berry951_a.res in C2/c berry951.res created by SHELXL-2018/1 at 05:25:10 on 26-Jan-2023 REM Old TITL Berry951 in C2/c REM SHELXT solution in C2/c REM R1 0.120, Rweak 0.005, Alpha 0.029, Orientation as input REM Formula found by SHELXT: C8 N7 Cl CELL 1.54178 19.2935 9.4173 13.743 90 108.57 90 ZERR 8 0.0031 0.0008 0.0012 0 0.005 0 LATT 7 SYMM -X,+Y,0.5-Z SFAC C H Cl N O UNIT 64 136 8 48 8 EQIV $1 0.5+X,-0.5+Y,+Z EQIV $2 0.5+X,0.5+Y,+Z EQIV $3 -0.5+X,0.5+Y,+Z L.S. 24 PLAN 2 SIZE 0.04 0.04 0.09 TEMP -173.16 HTAB N1 N5_$1 HTAB N1 Cl1_$1 HTAB N3 Cl1_$2 HTAB N4 O1 HTAB N4 N3 HTAB N6 N2_$3 CONF BOND $H list 4 fmap 2 53 acta 134 MORE -1 REM REM REM WGHT 0.060700 3.829300 FVAR 0.14049 CL1 3 0.372296 0.139460 0.646787 11.00000 0.02350 0.01646 = 0.03891 0.00085 0.01049 -0.00264 AFIX 6 O1 5 0.526363 0.200005 0.625859 11.00000 0.02724 0.03350 = 0.03678 0.00307 0.01110 0.00173 H1C 2 0.554123 0.178738 0.687537 11.00000 -1.50000 H1D 2 0.482073 0.195192 0.628768 11.00000 -1.50000 AFIX 0 N1 4 0.891518 -0.019527 0.634588 11.00000 0.01908 0.01319 = 0.03474 -0.00059 0.01309 -0.00213 AFIX 93 H1A 2 0.933610 0.020351 0.638718 11.00000 -1.20000 H1B 2 0.887512 -0.112645 0.633330 11.00000 -1.20000 AFIX 0 N2 4 0.836585 0.200542 0.631835 11.00000 0.01319 0.01677 = 0.02489 -0.00085 0.00842 -0.00057 N3 4 0.748380 0.379673 0.625040 11.00000 0.01391 0.01850 = 0.03206 -0.00025 0.00986 -0.00056 H3 2 0.781054 0.432068 0.626981 11.00000 -1.20000 C1 1 0.834658 0.059957 0.630302 11.00000 0.01789 0.01754 = 0.02011 -0.00067 0.00793 -0.00229 C2 1 0.761653 -0.004308 0.623530 11.00000 0.01735 0.01932 = 0.02871 -0.00072 0.00833 -0.00404 AFIX 23 H2A 2 0.765060 -0.063498 0.684413 11.00000 -1.20000 H2B 2 0.742135 -0.062511 0.560730 11.00000 -1.20000 AFIX 0 C3 1 0.714627 0.127826 0.619877 11.00000 0.01477 0.02173 = 0.03240 0.00130 0.00860 -0.00286 AFIX 23 H3A 2 0.672930 0.131175 0.555355 11.00000 -1.20000 H3B 2 0.695671 0.129967 0.678861 11.00000 -1.20000 AFIX 0 C4 1 0.767199 0.249954 0.625311 11.00000 0.01425 0.02090 = 0.02094 -0.00029 0.00617 -0.00160 N4 4 0.606201 0.459930 0.611804 11.00000 0.01239 0.01936 = 0.03111 0.00039 0.00963 -0.00009 AFIX 93 H4A 2 0.574901 0.392743 0.613477 11.00000 -1.20000 H4B 2 0.649751 0.437282 0.608902 11.00000 -1.20000 AFIX 0 N5 4 0.522468 0.634433 0.618033 11.00000 0.01405 0.01727 = 0.02530 0.00125 0.00719 0.00079 N6 4 0.466197 0.849558 0.623178 11.00000 0.01795 0.01469 = 0.03196 0.00026 0.00914 -0.00094 AFIX 93 H6A 2 0.426125 0.805334 0.623645 11.00000 -1.20000 H6B 2 0.467938 0.942936 0.624638 11.00000 -1.20000 AFIX 0 C5 1 0.588189 0.592035 0.613612 11.00000 0.01458 0.02065 = 0.01808 0.00091 0.00421 -0.00104 C6 1 0.638213 0.713001 0.609161 11.00000 0.01661 0.02107 = 0.02621 0.00034 0.00757 -0.00446 AFIX 23 H6C 2 0.648152 0.714642 0.542801 11.00000 -1.20000 H6D 2 0.685130 0.707256 0.665851 11.00000 -1.20000 AFIX 0 C7 1 0.593725 0.842810 0.620849 11.00000 0.01990 0.01851 = 0.02677 0.00050 0.00717 -0.00484 AFIX 23 H7A 2 0.617624 0.893340 0.686113 11.00000 -1.20000 H7B 2 0.586458 0.909687 0.562868 11.00000 -1.20000 AFIX 0 C8 1 0.522788 0.776988 0.620331 11.00000 0.01681 0.01779 = 0.01863 -0.00006 0.00411 -0.00237 HKLF 4 REM berry951_a.res in C2/c REM R1 = 0.0435 for 1934 Fo > 4sig(Fo) and 0.0551 for all 2322 data REM 151 parameters refined using 0 restraints END WGHT 0.0607 3.8295 REM Highest difference peak 0.440, deepest hole -0.239, 1-sigma level 0.072 Q1 1 0.6185 0.6480 0.6203 11.00000 0.05 0.44 Q2 1 0.7389 0.0654 0.6223 11.00000 0.05 0.40 ; _shelx_res_checksum 25939 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 Cl Cl1 0.37230(3) 0.13946(5) 0.64679(4) 0.02616(18) Uani d 1 . . O O1 0.52636(10) 0.20000(19) 0.62586(13) 0.0323(4) Uani d 1 . . H H1C 0.554123 0.178738 0.687537 0.048 Uiso d 1 . . H H1D 0.482073 0.195192 0.628768 0.048 Uiso d 1 . . N N1 0.89152(10) -0.01953(19) 0.63459(14) 0.0213(4) Uani d 1 . . H H1A 0.933610 0.020351 0.638718 0.026 Uiso calc 1 . . H H1B 0.887512 -0.112645 0.633330 0.026 Uiso calc 1 . . N N2 0.83658(9) 0.20054(18) 0.63183(13) 0.0177(4) Uani d 1 . . N N3 0.74838(10) 0.3797(2) 0.62504(15) 0.0209(4) Uani d 1 . . H H3 0.7811(15) 0.432(3) 0.6270(19) 0.025 Uiso d 1 . . C C1 0.83466(11) 0.0600(2) 0.63030(16) 0.0181(4) Uani d 1 . . C C2 0.76165(11) -0.0043(2) 0.62353(17) 0.0216(5) Uani d 1 . . H H2A 0.765060 -0.063498 0.684413 0.026 Uiso calc 1 . . H H2B 0.742135 -0.062511 0.560730 0.026 Uiso calc 1 . . C C3 0.71463(12) 0.1278(2) 0.61988(18) 0.0227(5) Uani d 1 . . H H3A 0.672930 0.131175 0.555355 0.027 Uiso calc 1 . . H H3B 0.695671 0.129967 0.678861 0.027 Uiso calc 1 . . C C4 0.76720(11) 0.2500(2) 0.62531(16) 0.0186(4) Uani d 1 . . N N4 0.60620(10) 0.45993(19) 0.61180(14) 0.0203(4) Uani d 1 . . H H4A 0.574901 0.392743 0.613477 0.024 Uiso calc 1 . . H H4B 0.649751 0.437282 0.608902 0.024 Uiso calc 1 . . N N5 0.52247(9) 0.63443(18) 0.61803(14) 0.0187(4) Uani d 1 . . N N6 0.46620(10) 0.84956(19) 0.62318(14) 0.0212(4) Uani d 1 . . H H6A 0.426125 0.805334 0.623645 0.025 Uiso calc 1 . . H H6B 0.467938 0.942936 0.624638 0.025 Uiso calc 1 . . C C5 0.58819(11) 0.5920(2) 0.61361(16) 0.0180(4) Uani d 1 . . C C6 0.63821(12) 0.7130(2) 0.60916(17) 0.0211(5) Uani d 1 . . H H6C 0.648152 0.714642 0.542801 0.025 Uiso calc 1 . . H H6D 0.685130 0.707256 0.665851 0.025 Uiso calc 1 . . C C7 0.59372(12) 0.8428(2) 0.62085(17) 0.0218(5) Uani d 1 . . H H7A 0.617624 0.893340 0.686113 0.026 Uiso calc 1 . . H H7B 0.586458 0.909687 0.562868 0.026 Uiso calc 1 . . C C8 0.52279(11) 0.7770(2) 0.62033(16) 0.0181(4) Uani d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cl1 0.0235(3) 0.0165(3) 0.0389(3) -0.0026(2) 0.0105(2) 0.0008(2) O1 0.0272(9) 0.0335(10) 0.0368(10) 0.0017(7) 0.0111(8) 0.0031(8) N1 0.0191(9) 0.0132(9) 0.0347(11) -0.0021(7) 0.0131(8) -0.0006(7) N2 0.0132(9) 0.0168(9) 0.0249(9) -0.0006(7) 0.0084(7) -0.0009(7) N3 0.0139(9) 0.0185(10) 0.0321(11) -0.0006(7) 0.0099(8) -0.0003(7) C1 0.0179(11) 0.0175(10) 0.0201(10) -0.0023(8) 0.0079(8) -0.0007(8) C2 0.0174(11) 0.0193(11) 0.0287(12) -0.0040(8) 0.0083(9) -0.0007(9) C3 0.0148(11) 0.0217(12) 0.0324(12) -0.0029(8) 0.0086(9) 0.0013(9) C4 0.0142(10) 0.0209(11) 0.0209(11) -0.0016(8) 0.0062(8) -0.0003(9) N4 0.0124(9) 0.0194(9) 0.0311(10) -0.0001(7) 0.0096(7) 0.0004(7) N5 0.0141(9) 0.0173(9) 0.0253(10) 0.0008(7) 0.0072(7) 0.0012(7) N6 0.0179(9) 0.0147(9) 0.0320(11) -0.0009(7) 0.0091(8) 0.0003(7) C5 0.0146(10) 0.0206(11) 0.0181(10) -0.0010(8) 0.0042(8) 0.0009(8) C6 0.0166(11) 0.0211(11) 0.0262(12) -0.0045(8) 0.0076(9) 0.0003(9) C7 0.0199(11) 0.0185(11) 0.0268(12) -0.0048(8) 0.0072(9) 0.0005(9) C8 0.0168(10) 0.0178(10) 0.0186(10) -0.0024(8) 0.0041(8) -0.0001(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' Cl Cl 0.3639 0.7018 '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 H1C O1 H1D . . 104.6 ? H1A N1 H1B . . 120.0 ? C1 N1 H1A . . 120.0 ? C1 N1 H1B . . 120.0 ? C1 N2 C4 . . 108.14(17) ? C4 N3 H3 . . 112(2) ? N1 C1 N2 . . 123.37(19) ? N1 C1 C2 . . 121.61(19) ? N2 C1 C2 . . 115.02(18) ? C1 C2 H2A . . 111.4 ? C1 C2 H2B . . 111.4 ? C1 C2 C3 . . 102.00(17) ? H2A C2 H2B . . 109.2 ? C3 C2 H2A . . 111.4 ? C3 C2 H2B . . 111.4 ? C2 C3 H3A . . 111.1 ? C2 C3 H3B . . 111.1 ? H3A C3 H3B . . 109.0 ? C4 C3 C2 . . 103.54(17) ? C4 C3 H3A . . 111.1 ? C4 C3 H3B . . 111.1 ? N2 C4 C3 . . 111.29(18) ? N3 C4 N2 . . 125.99(19) ? N3 C4 C3 . . 122.71(19) ? H4A N4 H4B . . 120.0 ? C5 N4 H4A . . 120.0 ? C5 N4 H4B . . 120.0 ? C8 N5 C5 . . 107.43(18) ? H6A N6 H6B . . 120.0 ? C8 N6 H6A . . 120.0 ? C8 N6 H6B . . 120.0 ? N4 C5 N5 . . 123.19(19) ? N4 C5 C6 . . 123.14(19) ? N5 C5 C6 . . 113.67(19) ? C5 C6 H6C . . 111.3 ? C5 C6 H6D . . 111.3 ? C5 C6 C7 . . 102.22(17) ? H6C C6 H6D . . 109.2 ? C7 C6 H6C . . 111.3 ? C7 C6 H6D . . 111.3 ? C6 C7 H7A . . 111.3 ? C6 C7 H7B . . 111.3 ? H7A C7 H7B . . 109.2 ? C8 C7 C6 . . 102.16(17) ? C8 C7 H7A . . 111.3 ? C8 C7 H7B . . 111.3 ? N5 C8 C7 . . 114.24(19) ? N6 C8 N5 . . 121.94(19) ? N6 C8 C7 . . 123.82(19) ? 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 H1C . 0.8697 ? O1 H1D . 0.8693 ? N1 H1A . 0.8800 ? N1 H1B . 0.8800 ? N1 C1 . 1.314(3) ? N2 C1 . 1.324(3) ? N2 C4 . 1.393(3) ? N3 H3 . 0.79(3) ? N3 C4 . 1.274(3) ? C1 C2 . 1.508(3) ? C2 H2A . 0.9900 ? C2 H2B . 0.9900 ? C2 C3 . 1.531(3) ? C3 H3A . 0.9900 ? C3 H3B . 0.9900 ? C3 C4 . 1.520(3) ? N4 H4A . 0.8800 ? N4 H4B . 0.8800 ? N4 C5 . 1.294(3) ? N5 C5 . 1.349(3) ? N5 C8 . 1.343(3) ? N6 H6A . 0.8800 ? N6 H6B . 0.8800 ? N6 C8 . 1.299(3) ? C5 C6 . 1.507(3) ? C6 H6C . 0.9900 ? C6 H6D . 0.9900 ? C6 C7 . 1.531(3) ? C7 H7A . 0.9900 ? C7 H7B . 0.9900 ? C7 C8 . 1.500(3) ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag N1 H1A N5 3_545 0.88 2.12 2.984(3) 167.9 yes N1 H1B Cl1 3_545 0.88 2.37 3.2432(18) 173.4 yes N3 H3 Cl1 3 0.79(3) 2.59(3) 3.367(2) 168(3) yes N4 H4A O1 . 0.88 2.07 2.931(3) 164.3 yes N4 H4B N3 . 0.88 1.92 2.795(3) 170.9 yes N6 H6A N2 3_455 0.88 2.02 2.903(3) 177.2 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 N1 C1 C2 C3 . . . . -179.69(19) ? N2 C1 C2 C3 . . . . 0.5(2) ? C1 N2 C4 N3 . . . . 179.7(2) ? C1 N2 C4 C3 . . . . 0.6(2) ? C1 C2 C3 C4 . . . . -0.1(2) ? C2 C3 C4 N2 . . . . -0.2(2) ? C2 C3 C4 N3 . . . . -179.4(2) ? C4 N2 C1 N1 . . . . 179.5(2) ? C4 N2 C1 C2 . . . . -0.7(3) ? N4 C5 C6 C7 . . . . -176.4(2) ? N5 C5 C6 C7 . . . . 4.6(2) ? C5 N5 C8 N6 . . . . 179.0(2) ? C5 N5 C8 C7 . . . . -1.9(2) ? C5 C6 C7 C8 . . . . -5.0(2) ? C6 C7 C8 N5 . . . . 4.6(2) ? C6 C7 C8 N6 . . . . -176.2(2) ? C8 N5 C5 N4 . . . . 179.1(2) ? C8 N5 C5 C6 . . . . -1.9(2) ? _cod_database_fobs_code 2022700