#------------------------------------------------------------------------------ #$Date: 2026-08-29 16:28:40 +0100 (Sat, 29 Aug 2026) $ #$Revision: 306803 $ #$URL: svn://www.crystallography.net/cod/cif/1/57/74/1577474.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_1577474 loop_ _publ_author_name 'Chiter, Chaabane' 'Boudinar, Yamina' 'Akkache, Hibet Errahmane Meroua' 'Djedouani, Amel' 'Tabti, Salima' 'Jeanneau, Erwann' _publ_section_title ; (2E)-2-[(4-Eth-oxy-phen-yl)imino]-1,2-di-phenylethanone. ; _journal_coeditor_code ZL4101 _journal_issue 'Pt 7' _journal_name_full IUCrData _journal_page_first x260740 _journal_paper_doi 10.1107/S2414314626007406 _journal_volume 11 _journal_year 2026 _chemical_formula_iupac 'C22 H19 N O2' _chemical_formula_moiety 'C22 H19 N O2' _chemical_formula_sum 'C22 H19 N O2' _chemical_formula_weight 329.38 _chemical_name_systematic ; (2E)-2-[(4-Ethoxyphenyl)imino]-1,2-diphenylethanone ; _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 _cell_angle_alpha 90 _cell_angle_beta 101.412(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.0674(4) _cell_length_b 8.0633(2) _cell_length_c 16.4309(5) _cell_measurement_reflns_used 7263 _cell_measurement_temperature 100.0(3) _cell_measurement_theta_max 28.8870 _cell_measurement_theta_min 4.0090 _cell_volume 1697.04(9) _computing_cell_refinement ; CrysAlisPro (Rigaku OD, 2022) ; _computing_data_collection ; CrysAlisPro (Rigaku OD, 2022) ; _computing_data_reduction ; CrysAlisPro (Rigaku OD, 2022) ; _computing_molecular_graphics ; Mercury (Macrae et al., 2020) ; _computing_publication_material ; Olex2 (Dolomanov et al., 2009), SHELXL2025/1 (Sheldrick, 2015b), PLATON (Spek, 2020) and publcif (Westrip, 2010) ; _computing_structure_refinement ; SHELXL2025/1 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018/2 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 100.15 _diffrn_detector_area_resol_mean 15.9897 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.903 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos, Nova' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0500 _diffrn_reflns_av_unetI/netI 0.0513 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 22651 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.426 _diffrn_reflns_theta_min 3.363 _exptl_absorpt_coefficient_mu 0.082 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.56809 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2022) ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.289 _exptl_crystal_description plate _exptl_crystal_F_000 696 _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.267 _refine_diff_density_min -0.256 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.044 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 227 _refine_ls_number_reflns 4240 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.044 _refine_ls_R_factor_all 0.0859 _refine_ls_R_factor_gt 0.0517 _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^)+(0.0451P)^2^+0.5117P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1050 _refine_ls_wR_factor_ref 0.1173 _reflns_number_gt 3037 _reflns_number_total 4240 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file zl4101.cif _cod_data_source_block I _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1577474 _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 0.974 _shelx_estimated_absorpt_t_max 0.996 _shelx_hkl_file ; 0 0 3 -0.24 0.74 0 0 -3 0.55 0.85 0 0 3 0.08 0.98 0 0 3 0.27 0.72 0 0 -3 -0.07 1.00 0 0 -3 -0.17 0.58 0 0 -3 -0.82 0.93 0 0 3 0.06 0.93 0 0 -4 169.42 5.62 0 0 4 160.39 5.53 0 0 4 164.04 6.29 0 0 -4 167.27 6.15 0 0 -4 169.35 5.21 0 0 4 169.97 5.28 0 0 -4 169.57 3.98 0 0 4 164.51 5.09 0 0 -5 0.88 0.96 0 0 5 -0.02 1.14 0 0 -5 0.40 1.18 0 0 5 0.83 1.12 0 0 -5 -0.91 1.39 0 0 5 -0.88 1.04 0 0 -5 -0.04 0.99 0 0 -5 -0.01 0.83 0 0 5 -0.06 1.25 0 0 -6 949.40 16.18 0 0 -6 940.18 11.09 0 0 6 939.37 16.26 0 0 -6 965.84 17.73 0 0 6 943.41 18.51 0 0 6 927.09 15.06 0 0 -6 956.39 15.00 0 0 -6 936.66 11.67 0 0 6 996.24 15.05 0 0 7 7.75 2.86 0 0 -7 1.42 1.31 0 0 7 0.84 1.85 0 0 -7 1.95 2.03 0 0 7 2.34 1.38 0 0 -7 0.00 1.57 0 0 -7 2.06 2.09 0 0 -7 -0.91 1.25 0 0 7 0.48 1.77 0 0 -8 90.41 4.19 0 0 -8 86.29 5.83 0 0 8 87.42 5.91 0 0 8 81.32 5.41 0 0 8 78.73 6.41 0 0 -8 86.80 6.35 0 0 -8 81.48 5.38 0 0 -8 87.26 4.32 0 0 8 91.60 5.48 0 0 9 0.99 2.05 0 0 -9 -0.34 1.08 0 0 -9 0.32 1.48 0 0 9 0.17 1.36 0 0 -9 1.00 1.90 0 0 -9 1.14 1.69 0 0 -9 -1.82 1.50 0 0 9 -0.46 2.02 0 0 10 30.54 3.65 0 0 -10 27.38 2.70 0 0 -10 26.00 4.27 0 0 10 23.64 4.39 0 0 -10 27.46 2.80 0 0 -10 23.95 3.31 0 0 -11 -0.67 1.26 0 0 -11 0.04 1.46 0 0 11 -1.64 1.97 0 0 -11 1.67 1.51 0 0 -12 42.75 4.82 0 0 12 45.75 6.20 0 0 -12 41.50 3.86 0 0 -12 37.36 3.51 0 0 -13 0.51 1.53 0 0 -13 0.14 1.99 0 0 13 -0.38 2.57 0 0 -13 1.03 1.64 0 0 -14 1.12 2.17 0 0 14 0.60 2.92 0 0 -14 3.87 2.18 0 0 -15 3.11 1.99 0 0 -15 3.72 1.97 0 0 -16 9.88 3.57 0 0 16 8.60 4.11 0 0 -16 10.75 2.43 0 0 -17 1.64 2.17 0 0 17 0.81 3.47 0 0 -17 1.00 1.81 0 0 -18 16.11 4.19 0 0 18 14.23 4.45 0 0 -19 5.03 3.59 0 0 19 3.03 3.37 0 0 -20 16.57 4.79 0 0 20 9.42 4.63 0 0 21 0.64 2.94 0 0 22 53.96 9.64 0 -1 2 182.70 4.40 0 -1 2 191.53 4.95 0 1 2 190.34 5.81 0 -1 -2 184.87 5.67 0 -1 2 187.46 4.17 0 1 -2 189.71 4.24 0 -1 2 185.05 2.90 0 1 -2 186.84 2.86 0 -1 -2 182.77 4.99 0 -1 3 21.83 2.13 0 -1 3 20.39 1.67 0 -1 -3 20.52 2.44 0 1 3 18.75 2.49 0 1 -3 19.90 1.71 0 -1 3 17.29 1.57 0 1 -3 22.04 1.86 0 -1 3 21.58 1.78 0 -1 3 20.15 1.88 0 -1 -3 21.25 2.16 0 1 3 22.98 2.18 0 1 -4 735.29 12.59 0 -1 -4 726.20 11.05 0 -1 4 723.82 12.57 0 -1 4 700.38 9.09 0 -1 4 707.97 10.84 0 1 -4 733.21 10.94 0 1 4 708.42 14.64 0 -1 -4 733.13 14.26 0 -1 4 724.40 10.60 0 1 -4 726.90 10.64 0 1 4 719.13 12.19 0 -1 -4 734.29 12.20 0 1 -4 716.53 10.61 0 -1 4 721.10 10.20 0 1 -5 6.48 1.22 0 -1 5 6.38 1.79 0 -1 -5 7.42 1.51 0 1 -5 7.12 1.68 0 -1 5 7.36 1.29 0 -1 -5 7.49 2.02 0 1 5 6.15 2.13 0 1 -5 8.45 1.66 0 -1 -5 7.16 1.74 0 1 5 8.21 1.78 0 -1 5 8.75 1.56 0 1 -5 6.73 1.44 0 -1 -5 9.12 1.80 0 -1 5 6.68 1.69 0 -1 5 6.99 1.38 0 1 -5 8.91 1.51 0 1 -6 404.38 11.13 0 -1 6 386.98 7.69 0 1 -6 385.54 7.91 0 -1 -6 406.96 10.30 0 -1 6 406.82 11.45 0 -1 -6 407.86 12.64 0 1 6 390.81 13.12 0 -1 6 340.74 9.88 0 1 -6 397.48 10.30 0 1 -6 401.51 9.56 0 -1 -6 387.50 10.25 0 -1 6 395.90 9.82 0 1 -6 402.96 9.10 0 -1 6 404.46 8.59 0 1 6 391.51 10.57 0 -1 -6 394.55 10.55 0 1 -7 49.62 4.50 0 -1 7 44.11 4.48 0 1 -7 45.62 3.15 0 -1 -7 46.64 4.02 0 -1 7 43.24 2.92 0 1 -7 46.92 4.12 0 1 7 43.46 5.16 0 -1 7 36.99 3.86 0 -1 -7 47.79 4.99 0 1 -7 45.87 3.81 0 -1 7 44.76 3.77 0 -1 -7 42.25 3.96 0 1 7 46.73 4.15 0 -1 -7 47.56 4.11 0 1 -7 44.48 3.44 0 -1 7 43.86 3.29 0 1 -8 30.80 3.13 0 -1 8 33.84 2.91 0 1 -8 35.86 4.16 0 -1 8 30.24 3.95 0 1 -8 31.72 2.78 0 -1 -8 31.98 3.65 0 -1 -8 37.13 4.72 0 1 -8 33.89 3.98 0 -1 -8 29.90 3.64 0 1 -8 33.15 3.36 0 -1 8 29.74 3.43 0 -1 8 35.66 3.33 0 1 8 40.08 4.10 0 -1 -8 35.53 3.75 0 -1 8 27.74 3.68 0 1 8 31.84 4.71 0 -1 -9 50.26 4.71 0 1 -9 48.87 3.48 0 -1 9 45.52 4.86 0 1 -9 42.69 4.53 0 1 9 43.59 5.75 0 -1 9 41.82 4.61 0 -1 -9 45.07 4.43 0 1 -9 46.81 4.16 0 -1 -9 48.92 3.32 0 1 -9 41.84 3.69 0 -1 9 50.87 3.72 0 1 9 50.07 4.68 0 -1 -9 53.37 4.81 0 -1 9 45.99 3.94 0 -1 10 467.31 15.75 0 1 -10 449.89 10.60 0 -1 10 471.77 16.00 0 1 10 463.18 18.23 0 1 -10 458.88 14.99 0 1 -10 461.34 13.31 0 -1 -10 455.56 14.03 0 -1 -10 464.18 10.48 0 -1 10 467.46 11.21 0 1 -10 454.69 11.98 0 -1 10 466.22 13.01 0 1 -11 13.13 2.10 0 -1 11 17.78 3.74 0 1 -11 15.74 3.47 0 -1 11 15.27 2.85 0 -1 -11 16.56 3.35 0 1 -11 15.98 3.05 0 -1 11 14.46 3.75 0 1 11 13.57 3.97 0 1 -11 16.14 2.77 0 -1 -11 16.11 2.30 0 -1 12 39.35 5.45 0 -1 -12 35.32 3.53 0 1 -12 35.64 3.39 0 -1 12 39.23 5.61 0 1 12 34.97 6.07 0 1 -12 37.56 3.91 0 -1 -12 38.16 3.61 0 1 -12 39.73 4.53 0 -1 -12 38.62 4.85 0 -1 13 0.41 2.07 0 1 -13 3.95 2.07 0 -1 -13 1.44 2.59 0 -1 -13 0.14 1.42 0 1 -13 -0.57 1.75 0 -1 13 -1.90 2.57 0 1 13 1.91 2.83 0 1 14 56.04 7.93 0 -1 14 54.09 7.05 0 1 -14 48.55 5.50 0 -1 -14 57.22 6.35 0 1 -14 51.96 5.03 0 -1 -14 54.82 4.66 0 -1 -15 9.65 3.15 0 1 -15 13.74 3.52 0 1 -15 8.24 2.66 0 -1 -15 11.01 2.47 0 1 15 8.50 3.81 0 -1 15 6.34 3.51 0 -1 16 89.98 9.35 0 1 16 86.19 10.61 0 1 -16 86.06 8.01 0 -1 -16 86.82 8.04 0 -1 -16 90.95 6.39 0 1 -17 1.70 2.33 0 -1 -17 5.10 2.71 0 -1 -17 3.17 2.00 0 1 17 2.68 2.87 0 -1 17 0.76 2.76 0 -1 -18 60.71 7.76 0 1 -18 59.67 7.35 0 1 18 54.35 8.88 0 -1 18 48.96 7.82 0 -1 -19 25.09 5.23 0 1 -19 22.65 5.20 0 1 19 25.15 6.90 0 -1 19 15.48 5.61 0 -1 -20 4.97 3.65 0 1 -20 2.84 2.91 0 -1 20 8.39 4.20 0 1 20 3.32 3.66 0 1 21 0.49 3.89 0 2 0 9768.32 39.74 0 2 0 9692.99 45.53 0 -2 0 9886.70 42.94 0 2 0 9999.00 39.86 0 -2 0 9897.88 39.81 0 -2 1 198.82 5.93 0 2 1 200.35 5.94 0 2 -1 214.46 6.05 0 -2 -1 195.56 5.96 0 2 1 207.21 6.32 0 -2 -1 184.22 7.40 0 2 -1 206.30 5.94 0 -2 1 210.01 4.98 0 -2 -1 219.44 6.48 0 2 1 213.59 6.33 0 -2 1 216.20 5.56 0 2 -2 173.55 5.48 0 2 2 186.76 6.07 0 -2 2 182.38 5.69 0 -2 2 177.97 5.06 0 2 2 182.55 6.72 0 -2 2 174.17 3.76 0 2 -2 178.97 4.14 0 -2 -2 193.96 7.88 0 -2 -2 178.76 6.27 0 2 2 187.50 6.31 0 -2 3 3637.01 26.79 0 -2 3 3588.71 28.69 0 2 -3 3451.53 25.43 0 2 3 3492.00 32.95 0 -2 3 3641.87 24.85 0 2 -3 3486.14 24.14 0 -2 3 3399.41 16.71 0 -2 -3 3616.21 30.16 0 2 3 3632.56 30.04 0 -2 4 351.81 5.34 0 -2 4 334.99 8.99 0 -2 4 340.42 8.58 0 -2 4 332.09 9.36 0 2 4 341.66 11.26 0 2 -4 346.02 6.20 0 2 -4 346.28 8.06 0 -2 4 346.22 8.09 0 2 -4 339.48 5.39 0 -2 -4 332.49 9.69 0 2 4 338.27 9.75 0 -2 5 515.99 11.41 0 -2 5 511.02 11.23 0 -2 5 492.26 9.81 0 -2 5 516.17 12.75 0 -2 -5 525.26 14.61 0 2 5 494.92 14.80 0 2 -5 492.31 8.97 0 -2 5 499.92 8.11 0 -2 5 516.84 10.70 0 2 -5 517.64 10.81 0 2 -5 518.54 7.41 0 -2 -5 507.01 12.70 0 2 5 500.68 12.65 0 -2 -6 38.59 4.03 0 2 6 35.06 3.81 0 -2 6 37.19 2.98 0 -2 6 35.01 3.93 0 -2 -6 38.38 3.39 0 2 6 31.51 4.53 0 -2 -6 39.89 4.66 0 2 -6 34.14 2.90 0 -2 6 32.79 2.62 0 2 -6 32.51 3.06 0 -2 6 32.02 3.08 0 2 -6 33.88 2.24 0 -2 6 37.88 3.44 0 -2 7 13.88 2.20 0 -2 7 16.46 2.37 0 -2 7 16.27 3.07 0 -2 -7 17.28 2.74 0 2 -7 15.45 2.37 0 -2 -7 17.00 3.79 0 2 7 12.93 3.53 0 2 7 16.05 3.05 0 -2 -7 17.59 3.13 0 -2 7 15.46 2.41 0 2 -7 16.61 2.51 0 2 -7 13.97 1.76 0 -2 7 18.54 2.55 0 -2 8 45.40 4.81 0 -2 8 48.66 3.53 0 -2 -8 43.03 3.99 0 -2 -8 45.66 4.40 0 2 8 38.45 5.33 0 -2 8 42.23 3.77 0 2 -8 46.07 3.95 0 2 -8 45.31 3.93 0 -2 8 43.80 4.09 0 -2 -8 47.49 4.78 0 2 8 45.36 4.64 0 -2 8 49.33 3.85 0 -2 9 60.06 4.03 0 -2 -9 59.16 4.97 0 -2 9 62.24 6.01 0 2 -9 58.17 4.75 0 -2 9 44.01 4.36 0 2 9 55.51 6.72 0 2 -9 59.00 4.77 0 -2 -9 54.64 5.04 0 -2 -9 51.61 5.04 0 -2 9 60.09 4.37 0 -2 -10 115.96 7.23 0 -2 10 118.04 8.33 0 -2 10 110.64 5.53 0 -2 10 110.15 6.94 0 2 10 115.93 9.79 0 2 -10 117.84 7.12 0 2 -10 116.81 6.95 0 -2 -10 113.74 7.43 0 -2 -10 118.63 7.84 0 -2 10 123.59 6.38 0 2 -11 87.05 6.36 0 -2 -11 89.85 6.86 0 2 -11 90.65 6.78 0 -2 11 84.90 6.62 0 2 11 76.63 8.84 0 -2 11 86.62 5.89 0 -2 -11 89.08 7.07 0 -2 11 86.42 7.62 0 -2 12 99.26 8.51 0 2 12 90.25 9.75 0 -2 12 92.55 7.24 0 2 -12 90.40 6.73 0 -2 -12 95.37 7.57 0 -2 -12 98.28 7.81 0 -2 -12 98.66 5.63 0 -2 13 13.47 3.71 0 -2 13 15.14 3.51 0 2 13 21.45 5.46 0 -2 -13 20.41 3.04 0 2 -13 20.92 3.77 0 -2 -13 21.83 3.91 0 -2 14 -0.95 2.43 0 -2 14 5.51 2.90 0 2 14 2.01 2.89 0 -2 -14 2.18 1.61 0 2 -14 -0.03 1.92 0 -2 -14 0.25 2.18 0 -2 15 24.04 5.27 0 -2 -15 19.33 4.23 0 2 -15 17.06 3.68 0 -2 15 16.32 3.98 0 2 15 17.56 5.27 0 -2 -15 18.11 3.12 0 -2 -16 50.45 6.72 0 2 -16 53.25 6.25 0 -2 -16 49.68 4.81 0 2 16 47.08 8.24 0 -2 16 47.73 6.45 0 -2 -17 25.27 5.28 0 2 -17 28.46 4.82 0 -2 -17 31.12 4.02 0 -2 17 32.93 5.68 0 2 17 23.59 6.52 0 -2 18 5.37 2.82 0 2 18 -1.55 3.22 0 2 -18 2.03 3.04 0 -2 -18 -0.50 2.77 0 2 19 34.86 7.86 0 2 -19 43.70 6.24 0 -2 -19 38.71 6.60 0 2 20 14.69 6.65 0 2 -20 11.55 3.93 0 3 0 1.15 1.17 0 -3 0 1.85 1.68 0 3 0 0.15 1.59 0 -3 0 0.71 1.19 0 3 0 1.16 1.14 0 3 0 0.25 1.49 0 -3 0 -2.86 2.20 0 3 1 107.18 5.49 0 -3 1 104.64 5.25 0 3 1 109.03 5.48 0 -3 -1 106.38 5.53 0 3 -1 105.49 5.24 0 3 -1 101.76 5.60 0 -3 1 109.92 4.67 0 -3 -1 104.06 6.40 0 3 1 109.42 5.60 0 -3 1 112.53 5.22 0 -3 -1 101.45 5.47 0 3 -1 112.02 5.03 0 3 -2 763.17 7.98 0 3 2 762.99 15.65 0 -3 -2 657.02 12.93 0 -3 2 736.48 13.73 0 3 -2 767.85 13.88 0 3 2 762.12 14.42 0 -3 2 764.80 12.39 0 3 -2 742.64 13.11 0 -3 -2 706.62 17.79 0 -3 2 751.95 10.23 0 -3 -2 753.50 15.00 0 -3 2 750.46 12.58 0 3 2 763.43 14.87 0 3 -3 9.36 0.96 0 -3 3 8.95 1.76 0 3 3 15.19 3.23 0 3 -3 11.84 2.37 0 -3 -3 8.58 2.27 0 3 3 10.09 2.59 0 -3 3 9.44 1.75 0 -3 3 8.71 1.22 0 -3 3 8.09 1.49 0 3 3 8.69 1.94 0 -3 -3 6.21 2.56 0 3 -3 8.49 1.49 0 -3 4 15.19 2.17 0 3 -4 16.59 2.49 0 -3 4 14.07 2.43 0 3 -4 10.93 1.11 0 3 4 15.34 2.66 0 -3 -4 17.04 3.00 0 3 4 17.70 3.45 0 -3 4 13.01 2.06 0 3 -4 18.50 1.79 0 -3 4 14.39 1.42 0 -3 -4 15.85 3.63 0 -3 5 9.68 0.96 0 -3 5 11.26 3.32 0 -3 5 8.80 2.45 0 3 -5 8.08 1.13 0 3 5 6.35 2.82 0 3 5 10.05 2.57 0 -3 -5 11.38 2.74 0 3 -5 19.08 2.59 0 3 -5 10.90 1.70 0 -3 -5 10.54 3.42 0 -3 6 355.80 6.09 0 -3 6 351.67 11.18 0 -3 6 354.60 10.85 0 -3 6 337.61 9.62 0 -3 6 334.28 11.85 0 3 6 343.58 14.28 0 3 -6 347.09 7.14 0 -3 6 354.17 10.23 0 3 -6 354.03 10.08 0 3 -6 344.38 6.62 0 -3 -6 350.03 12.23 0 3 6 353.87 12.31 0 -3 7 143.12 7.31 0 -3 -7 142.59 8.23 0 -3 7 134.28 6.34 0 -3 7 138.79 8.17 0 3 -7 132.65 5.05 0 3 7 135.21 9.67 0 -3 7 141.50 6.93 0 3 -7 148.53 6.92 0 3 -7 139.16 4.55 0 -3 7 141.87 4.70 0 -3 8 60.47 4.85 0 -3 -8 58.06 5.66 0 -3 8 53.31 5.61 0 -3 8 58.23 4.31 0 -3 -8 59.20 4.69 0 3 -8 57.85 3.76 0 3 8 49.68 6.39 0 3 -8 59.47 4.69 0 3 -8 59.99 3.18 0 -3 8 56.85 3.40 0 -3 -9 14.73 2.73 0 -3 9 13.92 2.46 0 -3 9 13.67 3.20 0 3 -9 14.46 2.32 0 -3 -9 11.37 2.89 0 3 -9 11.79 2.58 0 3 -9 13.53 1.79 0 -3 9 12.58 1.92 0 3 9 10.43 3.50 0 -3 10 184.60 10.89 0 -3 -10 185.28 9.96 0 -3 10 180.57 7.68 0 -3 -10 185.66 9.05 0 -3 10 177.20 7.20 0 3 -10 181.24 7.88 0 3 10 172.37 12.64 0 3 -10 183.05 8.88 0 3 -10 185.31 6.22 0 -3 -10 193.75 10.70 0 -3 11 27.01 3.39 0 -3 11 26.78 4.91 0 -3 11 24.60 3.12 0 -3 -11 26.44 4.40 0 -3 -11 25.17 4.32 0 3 -11 25.28 3.85 0 3 -11 23.58 2.51 0 3 11 16.68 4.74 0 -3 12 22.85 4.73 0 -3 12 23.54 3.21 0 -3 12 23.26 3.33 0 -3 -12 24.88 4.49 0 3 -12 32.73 4.67 0 -3 -12 20.68 4.11 0 3 -12 25.18 2.81 0 3 12 18.88 5.16 0 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167.26 7.38 0 -4 -1 164.95 7.89 0 4 2 6.42 2.82 0 4 -2 -1.42 1.90 0 -4 2 1.26 1.66 0 -4 -2 0.27 1.67 0 4 -2 0.08 1.05 0 4 2 0.27 1.64 0 4 -2 -0.04 0.73 0 -4 2 1.27 1.37 0 4 -2 -2.25 2.47 0 -4 -2 -0.15 2.30 0 4 2 0.27 1.77 0 -4 2 0.07 1.42 0 4 -3 798.71 8.82 0 4 3 843.26 17.49 0 -4 3 823.87 16.89 0 4 -3 844.99 16.84 0 -4 3 854.77 15.61 0 4 3 806.43 19.44 0 4 -3 765.31 15.77 0 -4 3 833.71 12.08 0 -4 -3 782.54 21.82 0 -4 -3 845.37 18.73 0 4 3 817.50 18.26 0 -4 3 833.97 15.56 0 4 -4 347.10 10.87 0 4 4 344.04 11.52 0 -4 4 345.03 10.21 0 4 4 336.29 13.38 0 4 -4 347.60 4.97 0 -4 4 325.69 7.17 0 -4 -4 325.14 14.88 0 4 -4 336.48 9.45 0 -4 -4 327.07 12.18 0 -4 4 348.44 10.02 0 -4 5 85.94 6.20 0 4 -5 85.05 5.64 0 4 5 102.38 6.94 0 4 5 80.37 7.20 0 -4 5 90.21 5.54 0 4 -5 82.83 4.25 0 -4 5 76.92 3.52 0 -4 -5 84.92 6.59 0 -4 5 81.36 4.90 0 4 6 231.21 10.05 0 -4 6 218.76 10.23 0 4 6 216.00 12.10 0 -4 6 228.75 8.97 0 -4 6 222.64 6.07 0 4 -6 224.24 6.42 0 -4 -6 221.46 10.81 0 -4 7 111.66 2.87 0 -4 7 117.86 8.05 0 4 7 120.71 9.64 0 4 -7 124.24 6.71 0 4 -7 113.80 4.51 0 -4 -7 118.16 8.24 0 -4 8 91.04 3.02 0 -4 8 89.17 5.99 0 -4 8 93.91 7.48 0 4 8 90.02 8.95 0 4 -8 90.60 6.06 0 4 -8 86.49 3.84 0 -4 -8 99.01 7.78 0 -4 9 7.74 2.87 0 -4 9 6.88 2.06 0 -4 -9 7.15 2.15 0 -4 -9 8.62 2.69 0 4 -9 9.23 2.42 0 4 -9 9.05 1.46 0 4 9 6.59 3.67 0 -4 9 5.97 1.06 0 -4 -10 27.98 3.80 0 -4 10 27.54 3.61 0 -4 10 30.25 4.96 0 -4 -10 25.27 4.46 0 4 -10 29.19 3.95 0 4 -10 27.99 2.48 0 -4 10 24.22 2.32 0 4 10 24.00 5.62 0 -4 11 15.43 4.07 0 -4 11 10.50 2.59 0 -4 -11 14.58 3.88 0 4 -11 11.14 2.82 0 4 -11 9.50 1.70 0 -4 11 9.81 1.88 0 4 11 5.19 3.38 0 -4 -12 125.43 10.06 0 -4 12 126.98 7.27 0 -4 -12 112.53 8.93 0 -4 12 129.26 10.28 0 4 12 119.66 12.28 0 4 -12 127.66 8.29 0 4 -12 122.60 5.37 0 -4 12 118.57 5.98 0 -4 13 2.45 2.12 0 -4 13 4.63 3.11 0 -4 -13 1.19 2.59 0 -4 -13 -1.44 2.54 0 4 -13 0.47 1.75 0 4 -13 0.93 1.05 0 4 13 2.89 3.37 0 -4 13 0.54 1.24 0 4 -14 8.41 2.79 0 -4 -14 4.94 2.73 0 -4 -14 7.39 3.20 0 -4 14 5.45 1.87 0 4 14 3.25 3.06 0 -4 14 7.26 3.21 0 -4 14 6.10 2.29 0 -4 -15 11.47 4.13 0 4 -15 6.90 2.98 0 -4 -15 6.00 3.18 0 -4 15 2.44 3.13 0 -4 15 6.47 2.14 0 4 15 4.49 3.81 0 -4 -16 18.05 4.75 0 4 -16 18.83 3.92 0 -4 16 22.59 5.34 0 4 16 20.10 6.59 0 -4 -17 -1.16 3.36 0 4 -17 0.06 2.27 0 -4 17 3.04 3.78 0 4 17 -0.32 4.19 0 4 -18 -1.10 2.37 0 -4 -18 4.55 3.11 0 -4 18 3.52 3.24 0 4 18 1.09 3.97 0 4 -19 12.40 4.29 0 -5 0 4.18 1.79 0 5 0 5.07 2.03 0 5 0 4.56 2.05 0 -5 0 3.01 1.75 0 -5 -1 -0.83 1.81 0 5 1 -1.67 1.85 0 5 -1 1.67 1.39 0 5 1 -0.76 1.72 0 5 -1 0.27 1.83 0 -5 1 -0.54 1.25 0 -5 -1 -0.56 1.73 0 -5 1 -0.95 1.67 0 5 -2 112.56 4.49 0 5 2 119.90 7.29 0 5 -2 119.81 7.11 0 5 -2 109.15 5.29 0 5 2 109.80 7.45 0 5 -2 117.69 7.71 0 -5 2 125.53 5.90 0 -5 2 119.00 6.86 0 -5 -2 107.08 7.35 0 5 -3 6.64 1.13 0 5 -3 7.79 1.51 0 5 3 6.46 2.42 0 -5 -3 5.19 2.14 0 5 3 14.88 3.25 0 5 -3 5.09 1.95 0 -5 3 8.06 1.68 0 -5 3 6.64 2.01 0 5 -3 5.93 2.34 0 5 -4 87.57 2.92 0 5 4 83.78 6.34 0 5 -4 89.98 6.23 0 -5 4 88.11 4.32 0 5 -4 82.75 5.82 0 -5 4 88.03 5.93 0 -5 -4 83.74 6.86 0 5 -4 84.36 3.28 0 5 4 81.10 7.39 0 5 -5 36.08 4.08 0 5 5 30.97 3.88 0 -5 5 33.42 4.41 0 5 5 27.49 4.89 0 5 -5 25.88 3.25 0 -5 5 32.88 2.69 0 -5 5 36.63 3.77 0 -5 -5 33.21 4.74 0 5 6 17.31 3.70 0 5 6 6.74 3.05 0 -5 -6 12.71 3.36 0 -5 6 14.22 3.22 0 -5 6 12.99 1.83 0 5 -6 14.11 2.38 0 -5 6 11.99 2.38 0 5 7 114.18 8.02 0 5 7 95.90 9.33 0 -5 7 96.45 7.64 0 5 -7 98.22 5.28 0 -5 7 103.32 6.30 0 -5 -7 102.29 8.38 0 -5 -8 -1.13 2.18 0 5 8 -1.10 3.05 0 -5 8 0.46 2.13 0 -5 8 -0.10 2.04 0 5 -8 -2.18 1.42 0 5 9 299.66 13.15 0 -5 9 319.77 12.64 0 -5 9 297.15 14.36 0 5 9 297.19 17.47 0 5 -9 306.98 8.27 0 -5 -9 302.16 14.97 0 5 10 204.77 11.27 0 -5 10 176.86 11.64 0 -5 10 178.32 9.58 0 -5 -10 160.27 8.53 0 5 10 163.89 13.79 0 5 -10 175.93 9.49 0 5 -10 166.38 5.93 0 -5 -10 166.18 11.53 0 -5 11 32.92 4.50 0 -5 11 40.29 6.06 0 -5 -11 30.38 5.44 0 5 -11 42.72 5.11 0 5 -11 35.44 2.91 0 5 11 37.41 7.51 0 -5 12 124.90 8.06 0 -5 12 128.66 10.88 0 5 12 122.05 12.76 0 5 -12 129.04 8.74 0 -5 -12 123.11 10.43 0 -5 13 1.84 2.04 0 -5 13 2.29 2.62 0 -5 -13 6.04 3.66 0 -5 -13 7.17 3.17 0 5 -13 3.25 2.23 0 5 13 6.44 4.37 0 5 -14 2.24 2.50 0 -5 -14 6.39 3.76 0 -5 -14 10.31 4.08 0 5 14 3.91 4.09 0 -5 14 7.44 2.63 0 -5 14 5.83 3.70 0 -5 -15 41.39 6.39 0 5 -15 35.99 5.32 0 -5 -15 37.88 6.70 0 5 15 36.69 8.19 0 -5 15 31.99 6.41 0 -5 15 35.47 4.59 0 5 -16 21.01 4.31 0 -5 -16 17.53 4.93 0 -5 -16 18.76 5.37 0 5 16 16.90 6.86 0 -5 16 11.37 4.50 0 -5 16 14.82 3.53 0 -5 -17 3.66 3.43 0 5 -17 3.21 2.48 0 -5 -17 7.76 4.46 0 -5 17 5.77 3.86 0 5 17 -2.31 4.60 0 5 -18 2.28 2.57 0 5 -19 13.11 4.43 0 6 0 28.55 4.22 0 -6 0 25.54 4.33 0 6 0 22.26 3.58 0 6 -1 87.75 6.88 0 6 1 87.88 6.93 0 6 1 83.03 6.73 0 6 -1 80.27 5.71 0 -6 1 98.97 6.28 0 -6 1 95.51 7.11 0 -6 -1 85.29 6.99 0 6 -2 2.93 1.00 0 6 -2 3.04 1.80 0 6 2 0.16 1.82 0 6 -2 3.98 1.60 0 -6 -2 1.14 1.76 0 6 2 0.02 1.81 0 -6 2 3.67 1.61 0 -6 2 1.74 1.72 0 6 -3 1.42 0.97 0 -6 -3 1.06 1.91 0 6 3 1.60 2.24 0 6 -3 0.44 1.07 0 6 3 5.22 2.73 0 6 -3 2.15 1.74 0 -6 3 1.78 1.51 0 -6 3 0.67 1.72 0 6 -4 79.53 3.10 0 6 4 94.82 7.49 0 -6 4 79.24 6.55 0 6 -4 92.90 7.05 0 6 -4 70.21 3.69 0 6 4 75.71 7.70 0 -6 4 86.27 4.81 0 -6 4 86.88 6.45 0 -6 -4 83.54 7.46 0 -6 5 14.13 3.18 0 6 -5 16.62 3.42 0 6 5 25.22 4.81 0 -6 -5 17.71 3.95 0 6 5 20.98 4.76 0 -6 5 16.07 2.16 0 -6 5 15.01 2.85 0 6 -5 12.44 2.86 0 -6 6 8.12 2.67 0 6 -6 9.44 2.99 0 6 6 6.46 3.57 0 -6 -6 5.46 3.20 0 -6 6 4.24 1.27 0 6 -6 1.66 1.61 0 -6 6 6.70 2.47 0 -6 7 523.32 18.34 0 6 7 515.25 17.88 0 6 7 524.95 22.42 0 6 -7 501.03 14.24 0 -6 7 526.69 11.26 0 -6 7 553.43 15.84 0 -6 -7 520.71 19.75 0 -6 8 101.21 8.67 0 6 8 97.45 7.98 0 6 8 90.82 9.92 0 6 -8 93.10 5.98 0 -6 8 109.04 7.13 0 -6 -8 107.34 9.43 0 6 9 40.26 5.78 0 -6 -9 32.96 5.61 0 -6 9 30.49 4.73 0 -6 9 27.48 4.94 0 6 9 25.77 5.91 0 -6 9 27.91 3.90 0 -6 -10 5.07 3.19 0 -6 10 2.57 2.59 0 -6 10 4.50 2.86 0 6 10 0.13 3.18 0 -6 10 4.40 2.08 0 -6 -11 6.42 3.51 0 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3.51 4.27 0 -7 14 6.33 2.95 0 -7 -14 1.13 2.76 0 7 14 1.79 4.12 0 7 14 12.72 4.65 0 -7 -14 2.04 3.23 0 -7 15 62.38 9.22 0 -7 15 51.43 6.31 0 7 15 49.69 7.58 0 8 0 26.32 4.40 0 -8 0 35.63 5.41 0 8 0 36.54 5.47 0 8 1 75.82 7.60 0 8 1 91.81 8.29 0 8 -1 91.21 8.20 0 -8 -1 87.49 8.45 0 -8 1 86.88 8.25 0 -8 2 -2.15 2.52 0 -8 -2 -1.03 2.56 0 -8 2 0.30 2.03 0 8 2 0.15 2.23 0 8 -2 1.96 2.59 0 8 2 -3.14 2.78 0 -8 3 1.99 2.75 0 -8 -3 -4.52 3.23 0 -8 3 1.47 1.96 0 8 3 0.14 2.18 0 8 3 -3.79 2.90 0 8 -3 2.65 2.53 0 -8 -4 2.13 3.02 0 -8 4 4.26 2.61 0 -8 4 0.92 2.15 0 8 4 -3.37 2.59 0 8 -4 2.12 2.55 0 8 4 0.47 2.55 0 -8 5 3.97 2.70 0 -8 -5 7.14 3.47 0 -8 5 5.69 2.53 0 8 5 3.99 2.65 0 8 -5 6.01 3.07 0 8 5 4.83 3.09 0 8 6 20.17 4.72 0 8 -6 19.36 4.14 0 -8 -6 11.32 4.22 0 -8 6 7.10 2.96 0 8 6 7.60 3.92 0 -8 6 14.68 3.65 0 8 7 63.16 9.26 0 -8 7 72.63 7.96 0 8 7 89.86 8.82 0 -8 -7 87.90 9.68 0 -8 7 82.48 7.43 0 8 8 44.20 6.51 0 -8 -8 45.23 7.10 0 -8 8 36.43 5.93 0 8 8 32.97 6.99 0 -8 8 42.78 5.31 0 -8 9 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2.60 2.27 4 4 -13 0.16 1.60 -4 4 13 0.29 2.84 -4 -4 13 0.13 1.68 -4 -4 12 43.05 3.79 -4 4 12 48.70 7.57 4 -4 -12 40.53 5.35 4 4 -12 43.72 5.49 4 4 -12 46.12 4.57 -4 -4 12 44.78 4.75 4 -4 -11 26.10 4.42 -4 -4 11 25.58 2.92 4 4 -11 28.75 4.40 4 4 -11 30.43 3.76 -4 -4 11 30.12 3.83 -4 4 11 31.44 6.11 4 4 -10 11.86 2.78 -4 4 10 12.18 3.81 4 -4 -10 16.97 3.59 4 4 -10 14.67 3.04 4 4 -10 13.97 2.53 -4 -4 10 13.81 2.53 4 -4 -9 27.48 3.93 -4 4 9 22.79 4.78 -4 -4 9 26.35 3.20 4 4 -9 28.98 3.37 4 4 -9 26.45 3.98 4 -4 -9 24.00 4.45 4 4 -9 26.75 4.01 4 -4 -8 11.80 3.12 -4 4 8 12.56 3.47 4 4 -8 10.65 2.37 4 -4 -8 14.10 2.86 4 4 -8 15.85 2.49 -4 -4 8 13.44 2.49 -4 -4 7 11.66 2.28 4 -4 -7 12.14 2.83 4 -4 -7 8.33 2.18 4 4 -7 11.02 2.34 -4 4 7 8.56 3.16 4 4 -7 11.52 2.35 4 4 -6 1.20 1.74 -4 -4 6 1.30 1.36 4 -4 -6 0.97 1.59 4 4 -6 0.23 1.48 -4 4 6 0.68 2.05 4 4 -6 1.75 1.42 4 4 -5 15.30 2.60 4 -4 -5 10.35 2.71 -4 4 5 13.18 3.20 4 4 -5 5.15 1.91 -4 -4 5 12.50 2.48 4 4 -5 14.04 2.60 -4 -4 5 11.56 2.28 -4 4 4 24.67 3.81 4 4 -4 24.12 3.09 -4 -4 4 25.11 3.19 4 -4 -4 26.45 4.31 -4 4 4 37.72 4.32 4 4 -4 25.51 3.45 -4 -4 4 26.56 3.04 4 -4 -4 25.79 3.61 -4 4 4 26.43 3.50 -4 4 3 22.29 3.30 4 4 -3 26.40 3.19 -4 -4 3 25.37 3.04 4 4 -3 30.44 3.11 -4 4 3 21.62 2.97 4 -4 -3 23.80 3.35 4 -4 -3 17.79 3.39 4 4 -3 27.87 3.47 -4 -4 3 24.93 3.28 -4 -4 3 28.89 3.91 -4 4 3 26.02 3.25 4 4 -2 0.10 1.20 -4 4 2 6.50 2.66 4 4 -2 1.42 1.50 -4 -4 2 0.96 1.59 4 -4 -2 0.71 1.28 -4 4 2 -0.24 1.14 -4 -4 2 1.06 1.49 4 4 -2 -0.09 1.72 -4 4 2 1.95 1.75 4 -4 -2 -0.59 1.68 4 4 -1 98.29 5.91 -4 4 1 101.16 5.47 4 -4 -1 110.24 7.32 4 -4 -1 101.01 6.38 4 4 -1 107.10 5.65 -4 4 1 115.13 6.48 -4 -4 1 102.05 5.90 4 4 -1 92.99 6.50 -4 -4 1 98.82 6.73 -4 4 1 103.48 5.51 4 -4 -1 97.44 5.69 -4 4 0 210.19 7.05 4 4 0 194.50 8.59 4 4 0 210.47 7.91 -4 4 0 215.22 8.68 -4 -4 0 189.47 7.70 4 -4 0 192.49 8.40 4 -4 0 205.38 8.20 4 4 0 185.77 9.86 -4 -4 0 191.40 9.31 4 -4 0 207.78 7.49 -4 4 0 202.62 7.15 -4 4 -1 10.03 1.53 4 -4 1 6.62 1.66 4 4 1 11.53 2.60 -4 -4 -1 16.13 3.06 -4 4 -1 7.46 1.92 4 -4 1 6.86 2.13 4 4 1 6.74 1.50 4 -4 1 8.97 1.73 4 -4 1 8.51 1.38 -4 4 -1 10.52 1.76 4 4 1 8.08 3.16 -4 -4 -1 8.39 2.69 -4 4 -2 141.67 4.16 -4 -4 -2 154.30 7.22 -4 4 -2 142.01 7.08 4 4 2 137.85 6.51 4 -4 2 138.62 7.70 4 -4 2 139.08 5.41 4 -4 2 151.12 5.07 4 4 2 125.47 9.36 4 -4 2 135.49 5.47 -4 -4 -2 134.60 7.99 -4 4 -2 146.21 5.08 4 -4 2 143.59 5.25 4 4 3 360.68 10.57 -4 4 -3 394.38 11.79 4 -4 3 376.17 12.75 4 -4 3 372.41 7.36 4 -4 3 379.82 8.12 4 -4 3 342.74 4.96 4 4 3 336.13 15.85 4 -4 3 326.18 4.18 -4 -4 -3 350.91 13.20 4 -4 3 368.61 7.54 4 -4 4 53.55 4.99 -4 4 -4 54.83 4.59 4 4 4 62.59 4.68 4 4 4 47.37 6.26 -4 -4 -4 50.23 5.27 4 -4 4 54.11 2.52 4 -4 4 56.47 3.34 4 -4 5 113.76 7.18 4 -4 5 116.23 5.06 -4 4 -5 115.11 6.66 4 4 5 96.10 5.67 -4 -4 -5 103.86 7.70 4 -4 5 88.71 2.58 4 4 5 110.16 9.75 4 -4 6 1.45 1.36 -4 -4 -6 4.20 2.35 4 -4 6 3.02 2.08 4 4 6 3.33 2.22 4 -4 7 1.54 1.92 -4 -4 -7 2.15 1.88 4 -4 7 5.11 1.75 -4 4 -7 4.00 1.51 4 -4 8 1.00 2.14 4 4 8 0.85 2.72 -4 -4 -8 1.41 2.00 4 -4 8 0.83 1.18 -4 4 -8 4.93 1.66 4 -4 8 2.29 0.54 4 -4 8 0.77 0.46 4 -4 9 67.08 7.59 4 -4 9 67.77 6.06 4 4 9 59.64 8.17 -4 4 -9 70.67 5.21 4 -4 9 55.28 2.41 -4 -4 -9 62.29 6.72 4 -4 10 10.76 3.00 4 -4 10 7.96 3.59 4 4 10 4.10 3.49 -4 -4 -10 5.44 2.82 -4 4 -10 8.22 2.16 4 -4 10 3.37 1.16 4 -4 11 4.16 2.99 4 -4 11 1.06 1.95 -4 -4 -11 0.40 2.17 4 4 11 -1.16 3.06 -4 4 -11 0.31 1.54 4 -4 11 0.24 1.08 4 -4 12 75.84 8.77 4 -4 12 77.15 6.87 4 4 12 68.34 9.60 -4 4 -12 74.27 6.11 -4 -4 -12 63.66 7.54 -4 4 -13 73.14 6.24 4 4 13 50.74 9.05 4 -4 13 65.47 8.24 4 -4 13 65.22 6.75 -4 -4 -13 66.08 7.73 -4 -4 -14 8.77 3.91 -4 4 -14 10.01 2.89 -4 -4 -14 10.91 3.70 4 4 14 8.06 4.72 4 -4 14 11.61 4.29 -4 -4 -15 0.46 2.85 -4 4 -15 2.59 2.38 4 4 15 2.59 4.16 -4 -4 -15 1.40 2.67 4 -4 15 0.45 2.80 -4 -4 -16 2.42 3.18 -4 4 -16 2.32 2.76 4 4 16 1.51 3.18 -4 -4 -16 -1.22 2.88 -4 -4 -16 1.93 2.25 4 -4 16 0.15 2.75 4 -4 17 7.04 4.10 -4 -4 -17 9.62 4.65 -4 -4 -17 6.72 3.89 -4 -4 -17 7.04 3.08 4 4 17 7.96 4.08 -4 -4 -18 9.59 3.81 4 -5 -18 25.38 5.72 4 5 -18 38.45 6.26 4 -5 -17 -2.24 2.98 -4 5 17 -0.71 3.49 4 5 -17 1.33 2.34 4 -5 -16 -0.31 2.37 -4 5 16 1.98 4.56 4 5 -16 -4.46 2.72 4 -5 -15 8.35 3.03 -4 5 15 8.16 4.72 4 5 -15 11.42 3.48 4 -5 -14 5.76 2.87 4 5 -14 6.01 2.45 4 5 -14 6.65 2.84 -4 5 14 3.96 3.15 -4 5 13 3.47 3.65 -4 -5 13 5.15 2.00 4 -5 -13 3.08 2.35 4 5 -13 3.58 2.20 4 5 -13 5.34 2.12 -4 -5 13 3.30 1.61 -4 -5 12 57.76 4.97 4 -5 -12 55.70 6.48 4 5 -12 63.90 6.71 -4 -5 12 57.50 4.85 4 5 -12 55.67 5.09 -4 5 12 57.80 8.69 -4 -5 11 43.82 4.25 -4 5 11 44.58 7.30 4 -5 -11 46.68 5.79 4 5 -11 47.76 4.82 4 -5 -11 49.89 6.85 -4 -5 10 210.70 8.54 -4 5 10 255.12 12.32 -4 5 10 210.53 14.50 4 5 -10 194.33 10.67 4 -5 -10 209.34 11.24 4 5 -10 204.62 9.10 4 -5 -10 218.64 13.29 -4 -5 9 240.62 9.05 -4 5 9 242.77 11.56 4 -5 -9 250.92 11.79 4 -5 -9 249.76 13.70 4 5 -9 230.78 9.71 4 5 -9 236.30 10.60 -4 5 9 237.00 14.80 4 -5 -8 1.33 2.63 -4 -5 8 2.79 1.72 4 5 -8 4.29 2.28 4 5 -8 2.67 1.70 -4 5 8 1.59 2.98 -4 -5 7 61.10 4.78 4 5 -7 59.59 4.84 -4 5 7 81.97 7.10 4 5 -7 61.21 5.21 4 -5 -7 60.58 6.53 -4 5 7 60.88 7.14 -4 -5 6 53.07 4.42 4 5 -6 51.33 4.55 -4 5 6 63.00 6.05 4 5 -6 53.34 4.91 4 -5 -6 62.84 6.42 -4 5 6 51.71 6.19 -4 5 5 14.90 3.17 -4 -5 5 24.97 3.84 4 5 -5 22.93 3.42 -4 5 5 22.15 3.95 4 5 -5 24.87 3.27 4 -5 -5 22.97 3.96 4 5 -4 34.06 3.65 -4 5 4 36.61 4.62 -4 5 4 33.79 3.79 4 5 -4 39.07 4.03 4 5 -4 37.55 4.45 -4 -5 4 35.43 4.59 4 -5 -4 35.32 4.46 4 -5 -3 0.82 1.68 4 -5 -3 0.88 1.92 4 5 -3 0.33 1.44 4 5 -3 0.37 1.25 4 5 -3 -1.41 2.07 -4 -5 3 1.61 1.93 -4 5 3 1.15 1.84 4 5 -2 137.10 7.24 4 5 -2 152.68 7.62 -4 5 2 152.51 8.35 4 5 -2 139.42 8.84 -4 5 2 138.96 7.43 -4 -5 2 145.76 8.67 4 -5 -2 138.76 7.76 -4 5 2 147.56 7.60 4 -5 -2 148.13 8.45 -4 5 1 40.80 4.45 4 5 -1 44.27 4.19 4 5 -1 36.74 5.18 -4 -5 1 40.18 4.91 -4 5 1 41.91 4.04 4 -5 -1 43.05 4.28 4 -5 -1 36.00 4.02 -4 5 1 40.26 3.69 -4 5 0 3.72 1.65 4 5 0 3.24 1.35 4 5 0 2.26 2.68 -4 5 0 6.95 1.95 4 -5 0 5.85 2.17 -4 -5 0 6.10 2.35 -4 5 0 5.88 1.53 4 -5 0 4.76 1.72 4 -5 0 7.47 1.87 -4 5 -1 4.38 1.29 4 -5 1 3.32 1.36 4 -5 1 2.74 1.57 -4 5 -1 3.84 1.82 4 5 1 -0.34 1.67 4 -5 1 4.33 1.43 4 -5 1 3.82 1.68 -4 -5 -1 4.13 1.91 -4 5 -1 5.34 1.51 4 5 1 2.80 2.65 4 5 2 0.84 1.48 -4 5 -2 2.52 1.77 4 -5 2 2.96 1.56 4 -5 2 1.94 1.21 -4 -5 -2 0.20 1.90 4 -5 2 4.52 1.48 4 5 2 -0.29 2.86 -4 5 -2 2.82 0.81 -4 5 -3 11.29 2.59 4 5 3 11.02 2.37 4 -5 3 8.47 2.54 -4 -5 -3 10.33 2.91 4 -5 3 10.48 1.95 4 -5 3 10.86 1.83 4 -5 3 7.80 1.13 4 5 3 6.96 3.34 4 -5 4 1.56 2.04 4 -5 4 4.20 1.48 -4 -5 -4 1.29 2.09 -4 5 -4 1.04 1.54 4 5 4 1.41 1.74 4 5 4 -0.58 2.56 4 -5 4 -0.44 1.05 4 -5 5 91.59 7.24 4 -5 5 86.48 4.97 -4 5 -5 90.98 6.48 4 5 5 93.16 6.30 4 -5 5 81.78 3.86 -4 -5 -5 85.17 7.51 4 -5 6 17.32 2.50 4 -5 6 13.87 1.55 -4 -5 -6 14.61 3.77 4 -5 6 20.98 3.82 4 5 6 21.83 3.49 4 -5 7 9.97 2.22 4 -5 7 12.27 3.46 4 5 7 4.61 3.32 4 -5 7 7.07 1.08 -4 -5 -7 9.68 3.02 4 -5 8 11.59 3.39 4 5 8 0.97 2.23 4 5 8 3.66 3.14 4 -5 8 3.93 0.68 -4 -5 -8 9.26 3.42 4 -5 9 28.53 5.26 4 -5 9 21.73 3.75 4 5 9 27.31 4.30 4 5 9 21.75 5.46 -4 -5 -9 23.10 4.39 4 -5 10 2.83 3.05 4 -5 10 0.37 2.37 4 5 10 3.12 3.35 -4 -5 -10 3.62 2.92 -4 5 -10 0.53 1.40 4 -5 11 111.19 10.28 4 -5 11 117.33 8.71 4 5 11 96.47 11.02 -4 5 -11 117.22 7.44 4 5 11 123.84 8.60 -4 -5 -11 110.00 9.95 -4 5 -12 30.67 4.17 -4 -5 -12 34.55 6.17 4 5 12 23.57 5.90 4 -5 12 31.74 5.07 4 -5 12 33.75 6.20 -4 5 -13 4.72 2.46 -4 -5 -13 -0.09 2.63 4 5 13 2.90 3.99 4 -5 13 6.59 3.50 4 -5 13 8.85 3.03 -4 -5 -14 -0.59 2.73 4 5 14 -1.78 3.19 4 -5 14 3.21 3.02 4 -5 14 2.47 2.93 -4 -5 -15 4.43 3.94 -4 -5 -15 1.80 2.83 4 5 15 -0.02 4.11 4 -5 15 3.01 3.10 4 -5 15 4.25 3.65 -4 -5 -16 34.07 6.78 4 5 16 21.95 6.70 -4 -5 -16 38.99 7.40 -4 -5 -17 4.49 3.10 -4 -5 -17 5.55 3.97 4 5 18 57.99 7.64 4 6 -17 3.91 3.15 4 -6 -17 -0.31 3.24 4 -6 -16 22.09 5.46 -4 6 16 16.04 7.06 4 -6 -15 -0.11 2.55 -4 6 15 4.29 4.48 4 -6 -14 0.16 2.49 -4 6 14 1.91 3.59 -4 -6 13 0.73 2.21 4 -6 -13 -1.86 3.63 4 -6 -13 6.16 3.26 -4 6 13 4.40 4.28 -4 -6 12 0.53 2.04 4 -6 -12 -1.30 2.22 -4 6 12 -2.07 3.67 4 6 -12 2.93 2.59 4 -6 -12 1.41 2.58 -4 -6 11 0.23 1.51 4 -6 -11 0.91 2.59 4 -6 -11 0.82 2.11 4 6 -11 4.93 2.18 -4 6 11 1.89 3.14 4 -6 -10 41.99 5.63 4 -6 -10 35.80 5.88 4 6 -10 41.10 4.76 -4 -6 10 33.21 3.71 -4 6 10 33.72 6.75 -4 6 9 8.63 4.15 4 6 -9 7.51 2.51 4 -6 -9 10.12 3.71 -4 6 8 6.65 3.48 4 -6 -8 6.22 3.02 4 6 -8 1.94 1.87 -4 6 8 5.00 3.40 4 6 -7 70.26 5.34 -4 -6 7 71.97 6.69 -4 6 7 71.55 6.66 -4 6 7 75.15 8.29 4 6 -7 75.55 6.48 4 -6 -7 78.80 7.87 -4 -6 7 79.63 7.53 -4 -6 6 1.53 2.11 -4 -6 6 -0.70 2.09 4 6 -6 -0.27 1.94 -4 6 6 -1.85 2.42 4 6 -6 1.21 1.71 4 -6 -6 3.94 2.87 4 6 -5 125.42 7.19 -4 6 5 135.11 9.75 -4 6 5 123.85 8.60 4 6 -5 130.29 8.78 -4 -6 5 138.68 9.28 4 -6 -5 125.75 9.21 4 -6 -4 6.95 3.17 4 6 -4 7.86 2.55 -4 6 4 13.35 3.80 4 6 -4 5.90 1.62 -4 -6 4 4.44 2.58 4 6 -4 10.02 3.05 -4 6 4 4.85 2.45 4 6 -3 142.25 8.22 -4 6 3 140.19 8.98 4 6 -3 129.82 9.76 -4 -6 3 124.52 8.97 4 -6 -3 121.33 8.45 -4 6 3 130.42 8.34 -4 6 2 50.94 5.46 4 6 -2 49.04 4.81 4 6 -2 43.29 6.02 -4 -6 2 44.34 5.69 4 -6 -2 36.80 4.59 -4 6 2 45.64 4.68 -4 6 1 1.13 2.14 4 6 -1 -0.83 1.90 4 6 -1 -2.57 3.22 4 -6 -1 1.07 2.30 -4 -6 1 0.46 2.10 -4 6 1 0.87 1.39 4 -6 -1 3.03 1.95 -4 6 0 63.92 4.48 4 6 0 52.27 4.99 -4 6 0 60.48 5.78 4 -6 0 50.58 5.49 -4 -6 0 49.89 5.77 4 -6 0 56.87 5.19 4 6 0 47.39 6.94 -4 6 -1 7.48 1.68 4 -6 1 9.21 2.39 4 6 1 4.49 2.04 -4 6 -1 3.99 2.01 4 -6 1 3.20 1.56 -4 6 -1 6.85 2.09 4 6 1 6.40 3.57 4 -6 1 8.26 2.49 -4 -6 -1 6.59 2.44 -4 6 -2 53.00 2.54 4 6 2 59.97 5.37 -4 6 -2 54.67 5.47 4 -6 2 55.31 3.83 -4 -6 -2 47.08 5.85 4 -6 2 58.11 4.75 4 6 2 49.12 7.24 4 -6 2 63.56 4.85 -4 6 -3 170.18 9.45 4 6 3 164.48 8.98 4 -6 3 186.77 8.10 4 -6 3 165.90 5.14 -4 -6 -3 166.80 10.89 4 -6 3 174.32 7.77 4 6 3 171.44 13.39 4 -6 4 2.62 2.30 -4 -6 -4 3.28 2.53 4 -6 4 7.75 2.05 4 -6 4 4.28 1.80 4 -6 4 2.05 0.54 4 6 4 3.19 2.08 -4 6 -4 3.26 2.39 4 -6 5 3.40 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-5 4.40 4.01 14 -6 -4 2.40 3.07 14 -6 -3 6.12 3.97 14 -6 -2 33.82 6.35 14 -6 -1 39.31 6.81 15 0 -12 -1.27 2.46 15 0 -11 7.44 3.46 -15 0 11 18.91 5.23 15 0 -10 -5.20 3.39 -15 0 10 2.55 3.47 15 0 -9 0.19 2.14 -15 0 9 -2.41 2.69 15 0 -8 0.49 2.18 -15 0 8 0.59 3.11 15 0 -7 124.71 10.37 -15 0 7 121.45 11.64 15 0 -6 2.56 2.85 -15 0 6 0.62 2.41 15 0 -5 73.19 7.93 -15 0 5 72.90 7.15 -15 0 5 73.01 8.97 15 0 -4 -1.21 2.05 -15 0 4 -1.27 2.54 -15 0 4 0.16 2.48 15 0 -3 -0.24 2.10 -15 0 3 1.53 2.41 -15 0 3 -0.54 2.56 -15 0 2 -3.97 2.67 -15 0 2 -2.32 2.67 15 0 -1 0.72 2.70 -15 0 1 6.80 3.65 -15 0 1 -1.70 2.61 -15 0 0 0.20 2.37 -15 0 0 0.46 2.37 15 0 0 0.30 2.15 -15 0 -1 3.59 2.93 15 0 1 -2.84 2.68 -15 0 -2 -3.26 3.16 15 0 2 -5.04 3.21 -15 0 -3 2.87 3.27 15 0 3 0.34 2.89 -15 0 -4 2.79 2.72 15 0 4 5.81 4.03 -15 0 -5 -2.07 3.20 15 -1 -12 -0.10 2.39 15 1 -11 3.64 3.06 15 -1 -11 1.58 2.68 -15 1 11 2.87 2.80 -15 -1 11 2.20 3.89 15 1 -10 14.28 4.49 15 -1 -10 13.21 3.75 -15 1 10 17.77 5.06 -15 -1 10 18.36 5.37 15 1 -9 0.80 2.18 15 -1 -9 -0.46 2.37 -15 1 9 -0.41 2.35 -15 -1 9 -4.42 2.79 15 -1 -8 2.16 2.30 15 1 -8 5.81 3.14 -15 1 8 5.01 3.13 -15 -1 8 3.76 3.38 15 -1 -7 21.53 4.78 15 1 -7 22.82 4.96 -15 1 7 20.95 5.44 -15 -1 7 18.73 5.11 15 1 -6 2.04 2.78 15 -1 -6 6.20 3.21 -15 1 6 6.76 3.67 -15 -1 6 -0.66 2.37 15 1 -5 12.70 3.85 15 -1 -5 1.62 2.23 -15 -1 5 6.13 2.86 -15 1 5 6.75 3.76 -15 -1 5 7.69 3.61 15 -1 -4 14.15 3.78 15 1 -4 17.52 4.41 -15 1 4 7.47 3.47 -15 -1 4 10.48 4.06 -15 1 4 10.70 3.42 -15 -1 4 8.98 3.09 15 -1 -3 2.02 2.38 15 1 -3 4.85 3.10 -15 1 3 -1.24 2.90 -15 1 3 1.11 2.67 -15 -1 3 3.69 3.87 -15 -1 3 2.14 2.15 15 -1 -2 4.80 3.05 15 1 -2 2.16 2.65 -15 -1 2 0.13 2.67 -15 1 2 11.68 4.09 -15 1 2 4.08 3.16 -15 -1 2 11.48 3.72 15 -1 -1 7.40 3.26 -15 -1 1 1.72 2.64 -15 1 1 7.92 3.60 -15 1 1 1.22 2.47 -15 -1 1 7.89 3.44 -15 -1 1 4.55 2.72 15 1 -1 2.17 2.96 15 -1 0 -3.63 2.52 -15 1 0 -1.00 2.91 -15 1 0 2.83 2.84 -15 -1 0 -1.72 2.80 15 1 0 -1.41 2.74 -15 -1 -1 25.41 5.45 -15 1 -1 16.66 4.53 15 -1 1 14.85 4.04 15 1 1 15.36 4.54 -15 -1 -2 1.55 2.85 -15 1 -2 5.23 3.62 15 -1 2 1.05 2.44 15 1 2 -3.74 3.24 -15 -1 -3 4.03 3.09 -15 1 -3 5.93 3.62 15 1 3 0.55 2.79 -15 -1 -4 2.76 3.31 -15 1 -4 3.51 3.44 15 1 4 7.49 3.94 -15 1 -5 41.46 7.14 15 1 5 19.29 5.60 15 1 6 16.42 5.46 15 -2 -11 18.85 5.10 -15 2 11 14.10 4.73 -15 -2 11 22.27 5.64 15 -2 -10 12.06 4.07 15 2 -10 12.14 3.98 -15 2 10 14.26 4.76 -15 -2 10 12.54 4.32 15 -2 -9 7.81 3.50 15 2 -9 8.56 3.75 -15 2 9 5.82 3.63 -15 -2 9 7.56 3.77 15 2 -8 8.12 3.28 15 -2 -8 1.57 2.69 -15 2 8 2.23 2.75 -15 -2 8 8.41 4.37 15 2 -7 20.99 5.06 15 -2 -7 26.74 4.99 -15 2 7 25.14 5.48 -15 -2 7 29.59 6.34 15 -2 -6 1.60 2.41 15 2 -6 1.23 2.31 -15 2 6 2.29 3.26 -15 -2 6 1.29 2.63 15 2 -5 3.53 2.79 15 -2 -5 1.19 2.57 -15 2 5 -1.82 2.94 -15 -2 5 0.49 1.93 -15 -2 5 -1.31 3.16 15 -2 -4 14.34 4.03 15 2 -4 15.78 4.64 -15 -2 4 12.82 3.59 -15 2 4 13.16 4.34 -15 2 4 13.09 3.53 -15 -2 4 6.30 4.04 15 2 -3 11.77 4.04 15 -2 -3 7.27 3.19 -15 -2 3 7.25 3.53 -15 2 3 4.70 3.21 -15 -2 3 10.11 3.19 -15 2 3 9.79 4.08 15 -2 -2 6.54 2.86 -15 -2 2 2.64 2.64 -15 2 2 5.60 2.93 -15 -2 2 9.66 3.35 -15 2 2 3.09 2.92 -15 -2 2 3.32 3.03 15 2 -2 0.93 2.92 15 -2 -1 -0.18 2.07 -15 2 1 4.48 3.18 -15 -2 1 4.65 3.14 -15 2 1 -1.26 2.29 15 2 -1 -1.46 2.64 -15 -2 1 1.55 2.68 15 -2 0 4.96 2.73 -15 2 0 1.97 2.77 -15 -2 0 8.69 4.00 -15 2 0 2.23 2.59 15 2 0 2.46 2.80 -15 -2 0 1.74 2.32 -15 2 -1 7.65 3.85 -15 -2 -1 10.94 3.87 -15 -2 -1 6.45 3.53 15 2 1 4.87 3.54 -15 2 -2 -0.34 2.91 -15 -2 -2 5.72 3.86 15 2 2 -2.56 3.39 -15 2 -3 9.97 4.17 -15 -2 -3 9.25 3.85 15 2 3 11.10 5.22 -15 2 -4 3.68 3.84 -15 -2 -4 3.91 3.32 15 2 4 13.41 5.47 15 2 5 1.93 4.48 15 2 6 -0.33 3.85 15 2 7 2.62 4.30 15 -3 -11 13.14 4.43 15 -3 -10 3.40 3.32 -15 3 10 0.78 3.19 15 3 -9 8.56 3.57 15 -3 -9 11.38 3.91 -15 3 9 6.46 3.83 -15 -3 9 12.08 4.67 15 -3 -8 1.13 2.18 15 3 -8 3.77 3.24 -15 3 8 1.07 2.96 -15 -3 8 2.23 2.87 15 3 -7 7.60 3.63 15 -3 -7 0.51 2.18 -15 3 7 0.59 2.33 -15 -3 7 3.24 3.31 15 3 -6 17.07 4.67 15 -3 -6 11.12 3.73 -15 3 6 14.69 4.27 -15 -3 6 10.41 4.36 15 -3 -5 1.20 2.30 15 3 -5 1.38 3.07 -15 3 5 1.85 3.22 -15 -3 5 -1.26 2.86 15 -3 -4 14.84 3.97 15 3 -4 13.39 4.53 -15 -3 4 15.50 5.04 -15 3 4 16.01 4.74 15 -3 -3 0.13 2.22 -15 3 3 0.12 2.53 -15 3 3 4.18 3.18 -15 -3 3 2.59 2.91 15 3 -3 2.24 2.91 15 -3 -2 2.40 2.39 -15 -3 2 4.83 3.23 -15 3 2 0.04 2.58 -15 3 2 -0.82 2.51 15 3 -2 0.49 2.73 -15 -3 2 0.16 2.37 -15 -3 1 5.56 3.28 -15 3 1 3.99 3.22 -15 3 1 8.39 3.39 15 3 -1 4.15 3.53 -15 -3 1 9.13 3.60 -15 3 0 3.95 3.12 -15 -3 0 1.60 3.22 -15 3 0 1.34 3.11 -15 -3 0 6.32 3.32 15 3 0 -3.71 3.68 -15 3 -1 9.34 3.52 -15 3 -1 13.83 4.64 -15 -3 -1 17.70 4.92 -15 -3 -1 16.88 4.59 15 3 1 6.67 4.25 -15 3 -2 8.09 4.30 -15 -3 -2 12.43 4.26 15 3 2 14.19 5.17 -15 -3 -2 7.49 3.95 -15 3 -3 9.11 4.18 -15 -3 -3 3.47 2.98 15 3 3 9.72 5.03 15 3 4 3.56 3.66 15 3 5 10.64 5.63 15 -4 -10 -2.46 2.69 15 -4 -9 4.13 3.06 -15 4 9 -0.94 2.81 15 -4 -8 14.95 4.15 -15 4 8 6.92 3.54 15 -4 -7 2.33 2.44 -15 4 7 7.59 3.38 -15 -4 7 2.64 3.39 15 -4 -6 1.53 2.41 -15 -4 6 1.37 3.66 -15 4 6 0.15 2.49 15 -4 -5 25.45 4.70 -15 -4 5 27.14 7.10 -15 4 5 23.64 5.44 -15 -4 5 35.29 7.05 15 4 -5 32.20 6.33 15 4 -4 73.58 9.51 -15 4 4 63.63 8.26 -15 -4 4 78.34 9.46 -15 4 3 0.97 2.89 15 4 -3 -2.57 3.74 -15 -4 3 7.73 3.74 -15 4 2 1.23 2.88 15 4 -2 -0.73 3.03 -15 -4 2 5.77 3.57 -15 -4 1 0.85 2.52 15 4 -1 -1.53 3.59 -15 -4 0 13.47 4.60 15 4 0 3.38 3.39 -15 4 -1 -0.14 3.94 -15 -4 -1 2.61 2.67 -15 4 -2 0.75 3.15 -15 -4 -2 0.18 2.70 -15 -4 -3 2.71 3.03 15 -5 -9 -0.27 2.58 15 -5 -8 1.73 2.70 -15 5 8 -0.07 2.77 -15 5 7 2.59 2.96 -15 5 6 11.63 4.42 -15 5 5 2.06 2.65 15 -5 -4 5.52 3.41 15 -5 -3 3.22 2.57 15 -5 -2 7.15 3.87 15 -5 -1 44.23 7.03 15 -6 -4 32.49 6.12 16 0 -9 -1.44 2.87 16 0 -8 42.40 6.54 -16 0 8 39.50 7.13 16 0 -7 3.30 3.02 -16 0 7 -2.35 3.27 16 0 -6 5.57 2.84 -16 0 6 5.16 3.35 16 0 -5 4.42 3.27 -16 0 5 -1.16 2.62 16 0 -4 102.99 9.48 -16 0 4 86.69 10.18 16 0 -3 5.01 3.01 -16 0 3 1.38 2.73 -16 0 3 2.51 3.40 16 0 -2 3.06 3.08 -16 0 2 -1.46 2.97 -16 0 2 -0.97 2.59 16 0 -1 3.00 3.38 -16 0 1 3.68 3.42 -16 0 1 -0.60 2.74 -16 0 0 19.16 4.83 16 0 0 24.14 5.40 -16 0 -1 4.56 3.30 16 0 1 -1.34 3.25 -16 0 -2 2.24 3.84 16 0 2 2.58 2.91 -16 0 -3 -1.88 3.57 16 -1 -9 2.68 3.09 16 -1 -8 0.67 2.54 16 1 -8 5.31 3.46 -16 1 8 2.04 2.65 16 1 -7 11.43 4.07 16 -1 -7 6.42 3.06 -16 1 7 7.23 3.50 -16 -1 7 8.77 4.46 16 1 -6 16.90 4.52 16 -1 -6 12.36 4.07 -16 1 6 18.12 5.52 -16 -1 6 10.32 4.34 16 1 -5 2.40 2.43 16 -1 -5 6.84 3.11 -16 1 5 2.70 2.92 -16 -1 5 6.03 3.67 16 -1 -4 11.53 3.89 16 1 -4 12.77 4.69 -16 -1 4 8.88 3.41 -16 1 4 13.87 5.09 -16 -1 4 7.16 4.22 16 1 -3 4.68 3.44 16 -1 -3 5.25 2.96 -16 -1 3 1.97 2.33 -16 1 3 4.23 3.23 -16 1 3 4.57 3.47 -16 -1 3 5.73 3.23 16 1 -2 8.66 3.79 16 -1 -2 9.61 3.72 -16 -1 2 8.80 4.68 -16 -1 2 6.23 3.32 -16 1 2 14.55 4.50 -16 1 2 6.41 3.70 16 -1 -1 6.71 3.52 -16 1 1 0.99 2.90 -16 -1 1 3.51 2.78 -16 1 1 3.52 3.19 16 1 -1 4.37 3.62 -16 1 0 11.31 4.40 -16 -1 0 21.90 5.12 -16 1 0 16.22 4.98 16 -1 0 8.11 3.61 16 1 0 12.54 4.28 -16 -1 -1 2.22 2.51 -16 1 -1 8.87 4.27 16 -1 1 -0.09 2.71 16 1 1 0.17 2.71 -16 -1 -2 -2.38 3.31 -16 1 -2 -0.09 3.16 16 1 2 -4.13 4.07 16 1 3 4.70 3.13 16 1 4 4.27 4.18 16 -2 -9 6.05 3.30 16 -2 -8 1.25 2.59 -16 2 8 3.39 3.09 16 -2 -7 13.32 3.81 16 2 -7 17.86 4.98 -16 2 7 15.58 4.89 16 2 -6 4.91 3.48 16 -2 -6 0.40 2.34 -16 2 6 -0.51 2.51 16 -2 -5 4.12 2.81 -16 2 5 3.84 3.52 -16 -2 5 1.03 3.13 16 2 -4 24.46 5.58 16 -2 -4 18.84 4.35 -16 2 4 22.69 5.47 -16 -2 4 17.83 4.47 -16 -2 4 12.64 4.81 16 -2 -3 1.00 2.12 16 2 -3 5.36 3.76 -16 -2 3 5.09 4.20 -16 2 3 8.54 3.48 -16 -2 3 15.23 4.02 -16 2 3 3.40 3.11 -16 -2 3 6.45 3.74 16 -2 -2 6.58 3.14 -16 2 2 0.99 2.73 -16 -2 2 3.92 3.22 -16 2 2 4.47 3.81 16 2 -2 9.57 3.89 -16 -2 2 7.81 3.44 -16 2 1 0.38 2.78 -16 -2 1 -0.25 2.57 -16 2 1 0.36 3.87 16 2 -1 0.69 2.77 -16 -2 1 4.38 3.37 -16 2 0 4.45 2.96 -16 2 0 4.90 3.27 -16 -2 0 7.31 3.68 16 2 0 3.85 3.01 -16 2 -1 15.76 5.37 -16 -2 -1 14.69 4.26 16 2 1 9.95 4.32 -16 2 -2 9.49 4.11 -16 -2 -2 3.33 3.69 16 2 2 -2.34 3.51 16 2 3 19.01 6.48 16 2 4 27.82 7.37 16 -3 -9 2.60 2.65 16 -3 -8 11.03 3.73 -16 3 8 9.00 4.47 16 -3 -7 3.37 2.87 -16 3 7 3.97 3.54 16 -3 -6 53.90 7.07 -16 3 6 70.57 9.20 -16 3 5 3.68 3.10 16 -3 -5 3.48 3.05 -16 -3 4 -1.79 2.44 -16 -3 4 3.47 3.19 -16 3 4 1.44 3.02 16 -3 -4 -2.88 2.24 -16 -3 3 1.26 3.31 -16 3 3 5.54 3.47 -16 -3 3 4.73 3.03 -16 3 2 -3.62 3.31 -16 -3 2 8.95 3.99 -16 3 2 4.72 2.78 -16 -3 2 1.93 2.95 -16 -3 1 -0.49 3.00 -16 3 1 -0.82 2.80 -16 3 1 2.82 2.68 -16 -3 1 -3.00 2.66 -16 3 0 7.33 4.14 -16 -3 0 0.99 3.16 -16 3 0 1.07 2.97 -16 -3 0 1.75 3.03 -16 3 -1 24.74 5.68 16 -4 -8 7.46 3.60 -16 4 7 15.32 4.73 16 -4 -7 19.04 4.83 -16 4 6 6.68 4.06 -16 4 5 -0.81 3.01 -16 4 4 7.52 4.30 -16 4 3 8.97 4.07 -16 -4 3 10.93 4.59 -16 -4 2 -1.73 2.85 -16 -4 1 0.08 2.72 -16 -4 0 -2.04 2.62 -16 -4 -1 15.57 4.83 17 0 -6 3.04 3.07 17 0 -5 9.83 4.19 17 0 -4 -0.41 3.15 17 0 -3 16.05 4.96 -17 0 2 1.70 3.15 17 0 -2 4.37 3.42 -17 0 1 39.48 6.82 17 0 -1 29.93 6.47 -17 0 0 0.88 2.97 17 0 0 -0.43 3.26 17 0 1 25.36 6.17 17 -1 -6 2.55 2.84 17 -1 -5 6.71 3.38 17 -1 -4 7.84 3.72 17 -1 -3 20.55 4.98 17 1 -3 22.75 5.86 17 1 -2 12.64 5.38 -17 1 2 15.59 4.83 -17 -1 2 17.62 4.65 17 -1 -2 19.92 5.05 17 1 -1 0.50 3.14 -17 1 1 6.23 4.48 -17 -1 1 5.19 3.14 17 -1 -1 3.44 3.63 -17 -1 0 11.95 4.34 -17 1 0 14.72 4.94 17 1 0 6.87 3.51 17 1 1 2.60 3.09 17 1 2 13.75 5.62 17 -2 -7 31.09 5.78 17 -2 -6 2.94 2.82 17 -2 -5 -4.34 3.26 -17 -2 4 4.29 3.58 17 -2 -4 4.40 2.57 -17 2 3 10.80 4.60 17 -2 -3 12.48 4.22 -17 -2 2 -1.17 2.57 -17 2 2 2.59 3.13 -17 2 1 3.64 3.45 -17 2 1 1.77 3.73 -17 -2 1 0.73 2.99 -17 2 0 2.12 2.99 17 -3 -7 2.03 2.93 17 -3 -6 -2.79 2.73 -17 -3 3 8.61 4.12 -17 3 3 6.60 3.53 -17 -3 2 5.60 3.43 -17 -3 2 7.78 3.83 -17 3 2 2.48 3.32 0 0 0 0.00 0.00 TITL IV8_autored in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 13.067365 8.063271 16.430901 90.0000 101.4125 90.0000 ZERR 4.00 0.000408 0.000245 0.000527 0.0000 0.0032 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N O UNIT 88.00 76.00 4.00 8.00 REM CrysAlisPro recorded range (K): Min=99.8; max=100.2; aver:100.0 TEMP -173 SIZE 0.05 0.17 0.32 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 73858 _shelx_res_file ; TITL iv8_autored_a.res in P2(1)/n iv8_publish.res created by SHELXL-2025/1 at 14:43:01 on 05-Jun-2026 REM Old TITL IV8_autored in P2(1)/n REM SHELXT solution in P2(1)/n: R1 0.133, Rweak 0.182, Alpha 0.021 REM 0.557 for 257 systematic absences, Orientation as input REM Formula found by SHELXT: C22 N O2 CELL 0.71073 13.0674 8.0633 16.4309 90 101.412 90 ZERR 4 0.0004 0.0002 0.0005 0 0.003 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N O UNIT 88 76 4 8 L.S. 10 0 0 PLAN 20 SIZE 0.05 0.17 0.32 TEMP -173 CONF BOND $H MORE -1 list 3 fmap 2 53 acta OMIT -13 4 15 REM REM REM WGHT 0.045100 0.511700 FVAR 0.39982 O1 4 0.378633 0.727323 0.723176 11.00000 0.03185 0.01749 = 0.02364 -0.00031 0.01534 0.00289 O2 4 -0.001425 0.654001 0.422702 11.00000 0.01778 0.02919 = 0.02367 -0.00455 0.00576 0.00109 N1 3 0.424078 0.757098 0.540248 11.00000 0.01742 0.01820 = 0.01828 0.00245 0.00569 0.00013 C1 1 0.472758 0.720805 0.613416 11.00000 0.02053 0.01178 = 0.01742 -0.00111 0.00856 0.00080 C2 1 0.586251 0.753821 0.637775 11.00000 0.01793 0.01095 = 0.01770 -0.00226 0.00721 0.00054 C3 1 0.637930 0.845050 0.585634 11.00000 0.02229 0.01734 = 0.01779 0.00126 0.00733 0.00140 AFIX 43 H3 2 0.599688 0.888983 0.535014 11.00000 -1.20000 AFIX 0 C4 1 0.744162 0.871432 0.607444 11.00000 0.02262 0.01846 = 0.02438 -0.00002 0.01092 -0.00148 AFIX 43 H4 2 0.778474 0.934724 0.572067 11.00000 -1.20000 AFIX 0 C5 1 0.801286 0.806162 0.680713 11.00000 0.01877 0.02015 = 0.02730 -0.00453 0.00517 -0.00169 AFIX 43 H5 2 0.874683 0.822321 0.694735 11.00000 -1.20000 AFIX 0 C6 1 0.750958 0.717641 0.733130 11.00000 0.02288 0.02193 = 0.02012 0.00119 0.00110 -0.00167 AFIX 43 H6 2 0.789725 0.673329 0.783465 11.00000 -1.20000 AFIX 0 C7 1 0.644192 0.693457 0.712408 11.00000 0.02581 0.01889 = 0.01914 0.00071 0.00794 -0.00422 AFIX 43 H7 2 0.609858 0.634988 0.749469 11.00000 -1.20000 AFIX 0 C8 1 0.420515 0.640055 0.678982 11.00000 0.01730 0.01672 = 0.01582 0.00026 0.00493 -0.00061 C9 1 0.425989 0.457356 0.687728 11.00000 0.01385 0.01417 = 0.01693 0.00081 0.00289 -0.00118 C10 1 0.391975 0.384237 0.754826 11.00000 0.02353 0.01839 = 0.01832 -0.00149 0.00806 -0.00136 AFIX 43 H10 2 0.362780 0.450853 0.792138 11.00000 -1.20000 AFIX 0 C11 1 0.400927 0.215077 0.766700 11.00000 0.02887 0.02099 = 0.02097 0.00325 0.00785 -0.00483 AFIX 43 H11 2 0.377345 0.165044 0.812001 11.00000 -1.20000 AFIX 0 C12 1 0.444219 0.118094 0.712713 11.00000 0.02825 0.01353 = 0.02608 0.00077 0.00372 -0.00112 AFIX 43 H12 2 0.451685 0.002030 0.721944 11.00000 -1.20000 AFIX 0 C13 1 0.476782 0.189120 0.645233 11.00000 0.02074 0.01718 = 0.02148 -0.00435 0.00344 0.00166 AFIX 43 H13 2 0.505542 0.121833 0.607927 11.00000 -1.20000 AFIX 0 C14 1 0.467122 0.358537 0.632588 11.00000 0.01564 0.01853 = 0.01621 -0.00024 0.00456 -0.00126 AFIX 43 H14 2 0.488628 0.407542 0.586138 11.00000 -1.20000 AFIX 0 C15 1 0.314643 0.730710 0.515532 11.00000 0.01798 0.01804 = 0.01782 0.00541 0.00656 -0.00044 C16 1 0.241901 0.808830 0.553699 11.00000 0.02326 0.01564 = 0.01853 0.00068 0.00601 -0.00146 AFIX 43 H16 2 0.265110 0.877720 0.600625 11.00000 -1.20000 AFIX 0 C17 1 0.135547 0.787321 0.523996 11.00000 0.02105 0.01786 = 0.02170 0.00215 0.00966 0.00294 AFIX 43 H17 2 0.086599 0.841725 0.550558 11.00000 -1.20000 AFIX 0 C18 1 0.100675 0.686746 0.455743 11.00000 0.01834 0.01987 = 0.01886 0.00415 0.00558 0.00001 C19 1 0.173462 0.611113 0.416229 11.00000 0.02328 0.02409 = 0.01688 -0.00180 0.00583 -0.00028 AFIX 43 H19 2 0.150243 0.543058 0.368988 11.00000 -1.20000 AFIX 0 C20 1 0.278379 0.634215 0.445050 11.00000 0.02149 0.02592 = 0.01873 0.00098 0.00939 0.00287 AFIX 43 H20 2 0.327052 0.583954 0.416726 11.00000 -1.20000 AFIX 0 C21 1 -0.078505 0.727390 0.461832 11.00000 0.02129 0.02280 = 0.02767 -0.00033 0.01027 0.00250 AFIX 23 H21A 2 -0.071613 0.849674 0.462343 11.00000 -1.20000 H21B 2 -0.069898 0.688132 0.519880 11.00000 -1.20000 AFIX 0 C22 1 -0.183522 0.677000 0.412986 11.00000 0.02160 0.02845 = 0.02624 0.00213 0.00783 0.00266 AFIX 137 H22A 2 -0.189758 0.711703 0.355052 11.00000 -1.50000 H22B 2 -0.238460 0.730179 0.436621 11.00000 -1.50000 H22C 2 -0.190857 0.556242 0.415420 11.00000 -1.50000 AFIX 0 HKLF 4 REM iv8_autored_a.res in P2(1)/n REM wR2 = 0.1173, GooF = S = 1.044, Restrained GooF = 1.044 for all data REM R1 = 0.0517 for 3037 Fo > 4sig(Fo) and 0.0859 for all 4240 data REM 227 parameters refined using 0 restraints END WGHT 0.0451 0.5118 REM Highest difference peak 0.267, deepest hole -0.256, 1-sigma level 0.053 Q1 1 0.4373 0.6734 0.6414 11.00000 0.05 0.27 Q2 1 0.5352 0.7216 0.6215 11.00000 0.05 0.25 Q3 1 0.6185 0.7783 0.6939 11.00000 0.05 0.25 Q4 1 0.1210 0.7888 0.4759 11.00000 0.05 0.23 Q5 1 -0.0055 0.8147 0.4449 11.00000 0.05 0.23 Q6 1 0.1218 0.7050 0.5048 11.00000 0.05 0.22 Q7 1 0.8345 1.0919 0.5643 11.00000 0.05 0.21 Q8 1 0.6202 0.7021 0.6568 11.00000 0.05 0.20 Q9 1 0.2779 0.7923 0.5233 11.00000 0.05 0.20 Q10 1 0.3005 0.6963 0.4777 11.00000 0.05 0.20 Q11 1 0.6927 0.7413 0.7249 11.00000 0.05 0.20 Q12 1 -0.0226 0.8124 0.3411 11.00000 0.05 0.20 Q13 1 0.2380 0.3843 0.4024 11.00000 0.05 0.19 Q14 1 0.6085 0.7651 0.5980 11.00000 0.05 0.18 Q15 1 0.6155 0.8026 0.6184 11.00000 0.05 0.18 Q16 1 0.4405 0.4123 0.6626 11.00000 0.05 0.18 Q17 1 0.3028 0.8806 0.4754 11.00000 0.05 0.18 Q18 1 0.4590 0.7006 0.5837 11.00000 0.05 0.17 Q19 1 0.4245 0.4154 0.7225 11.00000 0.05 0.17 Q20 1 0.4731 0.7175 0.5171 11.00000 0.05 0.17 ; _shelx_res_checksum 85003 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 0.37863(9) 0.72732(14) 0.72318(7) 0.0230(3) Uani d 1 . . O O2 -0.00143(8) 0.65400(14) 0.42270(7) 0.0233(3) Uani d 1 . . N N1 0.42408(10) 0.75710(16) 0.54025(8) 0.0177(3) Uani d 1 . . C C1 0.47276(12) 0.72080(18) 0.61342(9) 0.0159(3) Uani d 1 . . C C2 0.58625(11) 0.75382(18) 0.63777(9) 0.0150(3) Uani d 1 . . C C3 0.63793(12) 0.84505(19) 0.58563(9) 0.0187(3) Uani d 1 . . H H3 0.599688 0.888983 0.535014 0.022 Uiso calc 1 . . C C4 0.74416(12) 0.8714(2) 0.60744(10) 0.0210(3) Uani d 1 . . H H4 0.778474 0.934724 0.572067 0.025 Uiso calc 1 . . C C5 0.80129(12) 0.8062(2) 0.68071(10) 0.0220(4) Uani d 1 . . H H5 0.874683 0.822321 0.694735 0.026 Uiso calc 1 . . C C6 0.75096(12) 0.7176(2) 0.73313(10) 0.0221(4) Uani d 1 . . H H6 0.789725 0.673329 0.783465 0.026 Uiso calc 1 . . C C7 0.64419(12) 0.6935(2) 0.71241(10) 0.0208(4) Uani d 1 . . H H7 0.609858 0.634988 0.749469 0.025 Uiso calc 1 . . C C8 0.42051(11) 0.64005(19) 0.67898(9) 0.0164(3) Uani d 1 . . C C9 0.42599(11) 0.45736(18) 0.68773(9) 0.0150(3) Uani d 1 . . C C10 0.39198(12) 0.3842(2) 0.75483(9) 0.0195(3) Uani d 1 . . H H10 0.362780 0.450853 0.792138 0.023 Uiso calc 1 . . C C11 0.40093(13) 0.2151(2) 0.76670(10) 0.0232(4) Uani d 1 . . H H11 0.377345 0.165044 0.812001 0.028 Uiso calc 1 . . C C12 0.44422(12) 0.1181(2) 0.71271(10) 0.0229(4) Uani d 1 . . H H12 0.451685 0.002030 0.721944 0.027 Uiso calc 1 . . C C13 0.47678(12) 0.1891(2) 0.64523(10) 0.0199(3) Uani d 1 . . H H13 0.505542 0.121833 0.607927 0.024 Uiso calc 1 . . C C14 0.46712(11) 0.35854(19) 0.63259(9) 0.0166(3) Uani d 1 . . H H14 0.488628 0.407542 0.586138 0.020 Uiso calc 1 . . C C15 0.31464(12) 0.73071(19) 0.51553(9) 0.0175(3) Uani d 1 . . C C16 0.24190(12) 0.80883(19) 0.55370(9) 0.0189(3) Uani d 1 . . H H16 0.265110 0.877720 0.600625 0.023 Uiso calc 1 . . C C17 0.13555(12) 0.78732(19) 0.52400(10) 0.0195(3) Uani d 1 . . H H17 0.086599 0.841725 0.550558 0.023 Uiso calc 1 . . C C18 0.10068(12) 0.6867(2) 0.45574(9) 0.0188(3) Uani d 1 . . C C19 0.17346(12) 0.6111(2) 0.41623(10) 0.0212(4) Uani d 1 . . H H19 0.150243 0.543058 0.368988 0.025 Uiso calc 1 . . C C20 0.27838(12) 0.6342(2) 0.44505(9) 0.0213(4) Uani d 1 . . H H20 0.327052 0.583954 0.416726 0.026 Uiso calc 1 . . C C21 -0.07850(12) 0.7274(2) 0.46183(11) 0.0232(4) Uani d 1 . . H H21A -0.071613 0.849674 0.462343 0.028 Uiso calc 1 . . H H21B -0.069898 0.688132 0.519880 0.028 Uiso calc 1 . . C C22 -0.18352(12) 0.6770(2) 0.41299(10) 0.0250(4) Uani d 1 . . H H22A -0.189758 0.711703 0.355052 0.038 Uiso calc 1 . . H H22B -0.238460 0.730179 0.436621 0.038 Uiso calc 1 . . H H22C -0.190857 0.556242 0.415420 0.038 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 0.0319(7) 0.0175(6) 0.0236(6) 0.0029(5) 0.0153(5) -0.0003(5) O2 0.0178(6) 0.0292(7) 0.0237(6) 0.0011(5) 0.0058(5) -0.0046(5) N1 0.0174(7) 0.0182(7) 0.0183(6) 0.0001(5) 0.0057(5) 0.0024(5) C1 0.0205(8) 0.0118(7) 0.0174(7) 0.0008(6) 0.0086(6) -0.0011(6) C2 0.0179(8) 0.0110(7) 0.0177(7) 0.0005(6) 0.0072(6) -0.0023(6) C3 0.0223(8) 0.0173(8) 0.0178(7) 0.0014(6) 0.0073(6) 0.0013(6) C4 0.0226(8) 0.0185(8) 0.0244(8) -0.0015(7) 0.0109(7) 0.0000(7) C5 0.0188(8) 0.0201(8) 0.0273(9) -0.0017(7) 0.0052(7) -0.0045(7) C6 0.0229(9) 0.0219(9) 0.0201(8) -0.0017(7) 0.0011(7) 0.0012(7) C7 0.0258(9) 0.0189(8) 0.0191(8) -0.0042(7) 0.0079(7) 0.0007(6) C8 0.0173(8) 0.0167(8) 0.0158(7) -0.0006(6) 0.0049(6) 0.0003(6) C9 0.0138(7) 0.0142(7) 0.0169(7) -0.0012(6) 0.0029(6) 0.0008(6) C10 0.0235(8) 0.0184(8) 0.0183(8) -0.0014(7) 0.0081(6) -0.0015(6) C11 0.0289(9) 0.0210(9) 0.0210(8) -0.0048(7) 0.0078(7) 0.0033(7) C12 0.0283(9) 0.0135(8) 0.0261(8) -0.0011(7) 0.0037(7) 0.0008(7) C13 0.0207(8) 0.0172(8) 0.0215(8) 0.0017(6) 0.0034(6) -0.0043(7) C14 0.0156(7) 0.0185(8) 0.0162(7) -0.0013(6) 0.0046(6) -0.0002(6) C15 0.0180(8) 0.0180(8) 0.0178(7) -0.0004(6) 0.0066(6) 0.0054(6) C16 0.0233(8) 0.0156(8) 0.0185(8) -0.0015(6) 0.0060(6) 0.0007(6) C17 0.0211(8) 0.0179(8) 0.0217(8) 0.0029(6) 0.0097(6) 0.0022(7) C18 0.0183(8) 0.0199(8) 0.0189(8) 0.0000(6) 0.0056(6) 0.0042(6) C19 0.0233(8) 0.0241(9) 0.0169(7) -0.0003(7) 0.0058(6) -0.0018(7) C20 0.0215(8) 0.0259(9) 0.0187(8) 0.0029(7) 0.0094(6) 0.0010(7) C21 0.0213(8) 0.0228(9) 0.0277(9) 0.0025(7) 0.0103(7) -0.0003(7) C22 0.0216(9) 0.0285(9) 0.0262(9) 0.0027(7) 0.0078(7) 0.0021(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 0 1 0.0773 -1 3 -22 0.0719 -5 10 10 0.1256 5 -10 -10 0.1115 -18 -2 2 0.0304 18 2 -2 0.0224 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 C18 O2 C21 . . 117.58(12) ? C1 N1 C15 . . 121.28(13) ? N1 C1 C2 . . 119.89(13) ? N1 C1 C8 . . 123.46(13) ? C2 C1 C8 . . 116.64(13) ? C3 C2 C1 . . 120.48(13) ? C7 C2 C1 . . 120.99(13) ? C7 C2 C3 . . 118.53(14) ? C2 C3 H3 . . 119.9 ? C4 C3 C2 . . 120.29(14) ? C4 C3 H3 . . 119.9 ? C3 C4 H4 . . 119.8 ? C3 C4 C5 . . 120.49(15) ? C5 C4 H4 . . 119.8 ? C4 C5 H5 . . 120.1 ? C6 C5 C4 . . 119.73(15) ? C6 C5 H5 . . 120.1 ? C5 C6 H6 . . 120.0 ? C5 C6 C7 . . 120.06(15) ? C7 C6 H6 . . 120.0 ? C2 C7 H7 . . 119.6 ? C6 C7 C2 . . 120.85(15) ? C6 C7 H7 . . 119.6 ? O1 C8 C1 . . 119.36(14) ? O1 C8 C9 . . 122.45(13) ? C9 C8 C1 . . 118.16(12) ? C10 C9 C8 . . 118.64(13) ? C14 C9 C8 . . 121.59(13) ? C14 C9 C10 . . 119.73(14) ? C9 C10 H10 . . 120.1 ? C11 C10 C9 . . 119.81(14) ? C11 C10 H10 . . 120.1 ? C10 C11 H11 . . 119.9 ? C10 C11 C12 . . 120.12(15) ? C12 C11 H11 . . 119.9 ? C11 C12 H12 . . 119.7 ? C11 C12 C13 . . 120.51(15) ? C13 C12 H12 . . 119.7 ? C12 C13 H13 . . 120.2 ? C14 C13 C12 . . 119.62(14) ? C14 C13 H13 . . 120.2 ? C9 C14 H14 . . 119.9 ? C13 C14 C9 . . 120.19(14) ? C13 C14 H14 . . 119.9 ? C16 C15 N1 . . 122.83(14) ? C16 C15 C20 . . 118.45(14) ? C20 C15 N1 . . 118.45(14) ? C15 C16 H16 . . 119.6 ? C15 C16 C17 . . 120.73(15) ? C17 C16 H16 . . 119.6 ? C16 C17 H17 . . 119.9 ? C18 C17 C16 . . 120.20(14) ? C18 C17 H17 . . 119.9 ? O2 C18 C17 . . 125.09(14) ? O2 C18 C19 . . 115.73(14) ? C17 C18 C19 . . 119.18(14) ? C18 C19 H19 . . 119.8 ? C20 C19 C18 . . 120.49(15) ? C20 C19 H19 . . 119.8 ? C15 C20 H20 . . 119.6 ? C19 C20 C15 . . 120.89(15) ? C19 C20 H20 . . 119.6 ? O2 C21 H21A . . 110.2 ? O2 C21 H21B . . 110.2 ? O2 C21 C22 . . 107.39(13) ? H21A C21 H21B . . 108.5 ? C22 C21 H21A . . 110.2 ? C22 C21 H21B . . 110.2 ? C21 C22 H22A . . 109.5 ? C21 C22 H22B . . 109.5 ? C21 C22 H22C . . 109.5 ? H22A C22 H22B . . 109.5 ? H22A C22 H22C . . 109.5 ? H22B C22 H22C . . 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 C8 . 1.2162(18) ? O2 C18 . 1.3630(19) ? O2 C21 . 1.4263(18) ? N1 C1 . 1.2779(19) ? N1 C15 . 1.423(2) ? C1 C2 . 1.482(2) ? C1 C8 . 1.530(2) ? C2 C3 . 1.400(2) ? C2 C7 . 1.395(2) ? C3 H3 . 0.9500 ? C3 C4 . 1.380(2) ? C4 H4 . 0.9500 ? C4 C5 . 1.388(2) ? C5 H5 . 0.9500 ? C5 C6 . 1.381(2) ? C6 H6 . 0.9500 ? C6 C7 . 1.383(2) ? C7 H7 . 0.9500 ? C8 C9 . 1.481(2) ? C9 C10 . 1.398(2) ? C9 C14 . 1.392(2) ? C10 H10 . 0.9500 ? C10 C11 . 1.380(2) ? C11 H11 . 0.9500 ? C11 C12 . 1.385(2) ? C12 H12 . 0.9500 ? C12 C13 . 1.387(2) ? C13 H13 . 0.9500 ? C13 C14 . 1.384(2) ? C14 H14 . 0.9500 ? C15 C16 . 1.389(2) ? C15 C20 . 1.398(2) ? C16 H16 . 0.9500 ? C16 C17 . 1.390(2) ? C17 H17 . 0.9500 ? C17 C18 . 1.386(2) ? C18 C19 . 1.394(2) ? C19 H19 . 0.9500 ? C19 C20 . 1.372(2) ? C20 H20 . 0.9500 ? C21 H21A . 0.9900 ? C21 H21B . 0.9900 ? C21 C22 . 1.502(2) ? C22 H22A . 0.9800 ? C22 H22B . 0.9800 ? C22 H22C . 0.9800 ? 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 C16 H16 O1 . 0.95 2.56 3.068(2) 114 yes C12 H12 O1 1_545 0.95 2.41 3.279(2) 151 yes C22 H22A O1 4_575 0.98 2.55 3.462(2) 155 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 O1 C8 C9 C10 . . . . -7.1(2) ? O1 C8 C9 C14 . . . . 175.02(14) ? O2 C18 C19 C20 . . . . -179.23(14) ? N1 C1 C2 C3 . . . . 8.9(2) ? N1 C1 C2 C7 . . . . -170.37(14) ? N1 C1 C8 O1 . . . . -86.83(19) ? N1 C1 C8 C9 . . . . 95.03(18) ? N1 C15 C16 C17 . . . . 175.87(14) ? N1 C15 C20 C19 . . . . -176.97(14) ? C1 N1 C15 C16 . . . . 61.3(2) ? C1 N1 C15 C20 . . . . -124.78(16) ? C1 C2 C3 C4 . . . . -178.13(14) ? C1 C2 C7 C6 . . . . 176.87(14) ? C1 C8 C9 C10 . . . . 170.95(13) ? C1 C8 C9 C14 . . . . -6.9(2) ? C2 C1 C8 O1 . . . . 94.38(17) ? C2 C1 C8 C9 . . . . -83.76(17) ? C2 C3 C4 C5 . . . . 0.8(2) ? C3 C2 C7 C6 . . . . -2.4(2) ? C3 C4 C5 C6 . . . . -1.6(2) ? C4 C5 C6 C7 . . . . 0.4(2) ? C5 C6 C7 C2 . . . . 1.7(2) ? C7 C2 C3 C4 . . . . 1.1(2) ? C8 C1 C2 C3 . . . . -172.28(13) ? C8 C1 C2 C7 . . . . 8.5(2) ? C8 C9 C10 C11 . . . . -176.86(14) ? C8 C9 C14 C13 . . . . 176.21(14) ? C9 C10 C11 C12 . . . . 0.5(2) ? C10 C9 C14 C13 . . . . -1.6(2) ? C10 C11 C12 C13 . . . . -1.5(2) ? C11 C12 C13 C14 . . . . 0.9(2) ? C12 C13 C14 C9 . . . . 0.7(2) ? C14 C9 C10 C11 . . . . 1.0(2) ? C15 N1 C1 C2 . . . . -178.45(13) ? C15 N1 C1 C8 . . . . 2.8(2) ? C15 C16 C17 C18 . . . . 0.2(2) ? C16 C15 C20 C19 . . . . -2.8(2) ? C16 C17 C18 O2 . . . . 178.41(14) ? C16 C17 C18 C19 . . . . -1.6(2) ? C17 C18 C19 C20 . . . . 0.8(2) ? C18 O2 C21 C22 . . . . 178.44(13) ? C18 C19 C20 C15 . . . . 1.4(2) ? C20 C15 C16 C17 . . . . 2.0(2) ? C21 O2 C18 C17 . . . . -0.7(2) ? C21 O2 C18 C19 . . . . 179.29(14) ?