#------------------------------------------------------------------------------ #$Date: 2023-04-05 13:13:05 +0200 (Wed, 05 Apr 2023) $ #$Revision: 282399 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/27/2022710.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_2022710 loop_ _publ_author_name 'Clapham, Margaret L.' 'Douglas, Christopher J.' _publ_section_title ; Two new cases of polymorphism in diagonally substituted rubrene derivatives ; _journal_coeditor_code JY2028 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_page_first 406 _journal_page_last 409 _journal_paper_doi 10.1107/S2056989023002736 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac 'C50 H44' _chemical_formula_moiety 'C50 H44' _chemical_formula_sum 'C50 H44' _chemical_formula_weight 644.85 _chemical_name_common 'tert-Butyl AD Rubrene' _chemical_name_systematic ; 5,11-Bis(4-tert-butylphenyl)-6,12-diphenyltetracene ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method 'SHELXL-2018/3 (Scheldrick, 2015b)' _cell_angle_alpha 90 _cell_angle_beta 92.593(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 17.4565(15) _cell_length_b 7.2014(6) _cell_length_c 13.9356(12) _cell_measurement_reflns_used 9738 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 74.61 _cell_measurement_theta_min 6.65 _cell_volume 1750.1(3) _computing_cell_refinement ; SAINT (Bruker, 2016) ; _computing_data_collection ; APEX3 (Bruker, 2016) ; _computing_data_reduction ; SAINT (Bruker, 2016) ; _computing_molecular_graphics ; ShelXle (H\"ubschle et al., 2011) ; _computing_publication_material ; SHELXTL (Sheldrick, 2008) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014/5 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_device_type 'Bruker Photon-II CMOS' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0341 _diffrn_reflns_av_unetI/netI 0.0244 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 34891 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 74.771 _diffrn_reflns_theta_min 5.072 _exptl_absorpt_coefficient_mu 0.517 _exptl_absorpt_correction_T_max 0.7538 _exptl_absorpt_correction_T_min 0.6198 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.224 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 688 _exptl_crystal_size_max 0.500 _exptl_crystal_size_mid 0.250 _exptl_crystal_size_min 0.100 _refine_diff_density_max 0.228 _refine_diff_density_min -0.209 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.076 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 229 _refine_ls_number_reflns 3549 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.076 _refine_ls_R_factor_all 0.0417 _refine_ls_R_factor_gt 0.0409 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0445P)^2^+0.7175P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1040 _refine_ls_wR_factor_ref 0.1046 _reflns_number_gt 3431 _reflns_number_total 3549 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jy2028sup1.cif _cod_data_source_block 2 _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 2022710 _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 0.782 _shelx_estimated_absorpt_t_max 0.950 _shelx_hkl_file ; 0 0 -1 0.00 0.10 0 0 1 0.00 0.10 0 0 -1 0.00 0.10 0 0 -3 0.10 0.30 0 0 -3 0.10 0.20 0 0 3 0.90 0.40 0 0 -6 1623.14 81.79 0 0 6 1557.94 82.69 0 0 6 1580.14 86.69 0 0 -6 1626.64 83.99 0 0 7 2.10 0.80 0 0 7 0.00 0.30 0 0 -7 0.30 0.50 0 0 -7 0.30 0.40 0 0 -8 87.29 5.50 0 0 -8 92.69 5.20 0 0 8 102.69 5.20 0 0 8 95.09 5.90 0 0 8 95.19 5.20 0 0 9 0.30 0.50 0 0 9 0.20 0.40 0 0 9 0.00 0.80 0 0 -9 -0.20 0.40 0 0 -9 0.10 0.60 0 0 9 0.30 0.40 0 0 -9 0.00 0.40 0 0 10 1068.09 56.79 0 0 -10 1063.49 57.09 0 0 -10 1196.68 57.39 0 0 -10 1083.99 56.99 0 0 -10 1148.99 56.99 0 0 10 1148.19 57.09 0 0 -10 1083.79 57.39 0 0 10 1125.79 56.89 0 0 10 1131.49 56.89 0 0 10 1108.09 57.99 0 0 -11 2.20 1.00 0 0 11 -0.20 0.50 0 0 -11 -0.20 0.60 0 0 -11 0.90 0.60 0 0 11 1.30 0.70 0 0 11 1.10 0.70 0 0 11 0.20 0.60 0 0 -12 156.08 8.90 0 0 12 167.08 8.90 0 0 -12 159.98 9.10 0 0 12 158.18 9.00 0 0 12 156.28 8.70 0 0 -12 149.09 8.90 0 0 -12 159.88 9.30 0 0 -12 160.08 9.30 0 0 13 0.60 0.80 0 0 -13 0.00 0.70 0 0 13 0.30 0.70 0 0 -13 0.20 0.70 0 0 13 -0.70 0.60 0 0 13 0.70 0.80 0 0 -13 0.80 0.90 0 0 -13 -0.60 0.70 0 0 -13 -0.30 0.90 0 0 -14 36.10 3.10 0 0 -14 33.40 2.70 0 0 -14 34.70 2.90 0 0 14 35.00 2.70 0 0 14 42.50 3.10 0 0 14 37.80 2.70 0 0 -15 -0.40 0.60 0 0 15 -0.50 0.60 0 0 -15 -0.10 0.80 0 0 15 0.60 0.90 0 0 15 -0.70 0.80 0 0 -16 11.70 1.60 0 0 16 11.60 1.50 0 0 -17 -0.60 0.60 0 0 -17 -0.40 0.50 0 0 17 -0.20 0.60 0 1 0 0.40 0.20 0 1 -3 24.50 1.50 0 1 3 27.70 1.70 0 1 -3 21.70 1.40 0 -1 -3 24.00 1.40 0 -1 3 21.10 1.40 0 -1 -3 25.10 1.60 0 -1 3 22.10 1.50 0 -1 -3 22.00 1.20 0 1 -5 905.11 49.80 0 1 5 958.20 53.59 0 1 5 952.00 49.50 0 1 -5 924.11 48.20 0 -1 -5 906.31 51.79 0 -1 5 1004.00 52.39 0 -1 -5 892.51 48.80 0 -1 5 971.30 49.00 0 1 6 503.05 25.70 0 -1 6 494.25 25.50 0 -1 -6 453.25 25.20 0 -1 -6 516.95 24.90 0 1 7 13.60 1.00 0 1 -7 13.00 1.30 0 1 -7 14.30 1.00 0 1 7 12.20 1.60 0 -1 7 12.70 1.50 0 -1 -7 14.30 0.80 0 -1 -7 12.40 1.20 0 -1 -7 12.40 0.80 0 1 -8 307.47 16.40 0 1 8 298.57 15.90 0 1 -8 324.77 15.90 0 1 8 320.87 15.90 0 1 -8 315.57 16.10 0 1 8 321.97 16.80 0 -1 8 298.37 16.60 0 -1 -8 302.67 16.20 0 -1 8 304.27 16.20 0 -1 -8 299.17 16.30 0 -1 8 303.07 16.10 0 1 -9 454.65 22.80 0 1 -9 399.06 22.60 0 1 9 461.65 23.40 0 1 -9 454.35 22.80 0 1 9 451.45 22.30 0 1 -9 451.35 22.30 0 1 -9 431.36 22.60 0 1 9 365.26 22.60 0 -1 -9 406.66 22.50 0 -1 9 442.76 22.60 0 -1 -9 413.56 22.40 0 -1 9 433.06 23.20 0 -1 9 428.66 22.50 0 -1 -9 432.86 22.50 0 -1 9 440.86 22.70 0 -1 9 462.65 22.60 0 1 -10 4.30 1.10 0 1 -10 6.30 1.30 0 1 -10 3.80 0.70 0 1 10 2.60 1.40 0 1 -10 5.00 1.20 0 1 -10 4.40 1.00 0 1 10 3.70 0.80 0 1 10 4.00 0.70 0 1 10 3.00 0.70 0 1 -10 5.10 1.10 0 -1 10 2.80 0.80 0 -1 10 3.40 1.00 0 -1 10 3.40 0.90 0 -1 -10 2.80 0.70 0 -1 -10 6.20 1.10 0 -1 10 3.80 0.90 0 -1 -10 5.50 1.00 0 -1 -10 3.40 1.00 0 -1 10 4.40 1.40 0 -1 -10 4.60 0.90 0 1 11 0.90 0.60 0 1 -11 -0.10 0.80 0 1 11 0.50 0.60 0 1 -11 0.60 0.90 0 1 -11 0.80 0.60 0 1 -11 -0.20 0.70 0 1 -11 1.40 0.80 0 -1 -11 3.30 0.90 0 -1 11 0.20 0.60 0 -1 11 0.10 0.70 0 -1 -11 0.90 0.90 0 -1 11 1.70 1.20 0 -1 -11 1.10 0.80 0 1 -12 100.39 6.10 0 1 -12 93.39 6.00 0 1 12 93.39 5.50 0 1 -12 99.49 5.90 0 1 -12 96.59 5.70 0 1 -12 97.49 6.30 0 1 12 93.79 5.40 0 1 12 96.59 5.70 0 1 12 100.99 5.60 0 -1 12 95.69 6.00 0 -1 12 103.89 6.20 0 -1 -12 94.09 5.70 0 -1 -12 84.89 5.60 0 -1 -12 101.99 6.20 0 -1 12 92.39 5.70 0 -1 12 94.29 5.70 0 -1 -12 93.99 6.00 0 1 13 60.89 3.70 0 1 13 61.49 4.00 0 1 -13 52.99 3.90 0 1 13 57.89 3.80 0 1 13 65.09 3.90 0 1 -13 61.49 4.30 0 1 -13 56.59 4.20 0 -1 -13 60.39 4.00 0 -1 -13 65.59 4.40 0 -1 13 60.19 4.00 0 -1 13 58.69 3.90 0 -1 13 58.89 4.30 0 -1 -13 67.09 4.40 0 -1 13 50.79 3.80 0 1 14 1.60 0.70 0 1 -14 1.60 1.00 0 1 14 2.30 0.80 0 1 14 2.10 1.00 0 1 -14 2.70 0.80 0 1 14 1.50 1.10 0 -1 14 0.40 0.80 0 -1 14 1.10 0.80 0 -1 -14 1.40 0.80 0 -1 -14 2.50 1.10 0 -1 -14 1.50 1.10 0 -1 14 2.10 1.10 0 1 15 51.19 3.30 0 1 15 44.10 3.20 0 1 15 54.99 3.60 0 1 15 42.10 3.40 0 1 -15 54.29 3.70 0 -1 -15 55.29 3.80 0 -1 -15 54.99 3.50 0 -1 15 51.39 3.70 0 -1 15 57.39 3.30 0 1 16 171.18 10.10 0 1 -16 201.08 10.20 0 1 16 183.18 9.80 0 -1 16 186.48 10.20 0 -1 -16 189.68 10.10 0 1 17 0.50 0.40 0 1 -17 0.70 0.50 0 1 -17 0.60 0.60 0 -1 17 -0.20 0.50 0 -1 -17 0.40 0.50 0 -1 -17 1.20 0.50 0 2 0 84.59 4.50 0 -2 0 79.49 4.30 0 2 3 135.49 7.30 0 2 -3 132.09 7.10 0 -2 -3 137.69 7.00 0 -2 3 140.59 7.10 0 -2 3 123.99 7.10 0 -2 -3 145.99 7.30 0 -2 -3 131.19 7.20 0 2 4 3717.63 193.78 0 2 -4 3807.12 190.68 0 -2 -4 3582.24 191.68 0 -2 4 3650.43 191.08 0 2 -5 54.59 3.00 0 2 5 54.59 3.50 0 -2 -5 51.89 3.10 0 -2 5 51.89 3.20 0 2 6 5986.90 317.27 0 2 -6 6141.49 310.87 0 -2 -6 5937.81 314.47 0 -2 6 6253.97 314.07 0 2 -7 4953.80 249.97 0 2 7 4956.70 252.87 0 2 -7 4900.31 252.87 0 2 7 4818.52 260.57 0 -2 7 5086.69 257.07 0 -2 7 5041.40 251.47 0 -2 -7 4877.41 257.77 0 -2 -7 4755.92 251.47 0 2 -8 979.80 47.80 0 2 8 972.50 48.40 0 2 -8 972.90 47.90 0 2 -8 939.71 47.80 0 2 -8 958.90 47.60 0 2 8 917.01 47.40 0 -2 -8 957.40 47.80 0 -2 8 902.01 48.00 0 -2 8 951.00 47.70 0 -2 -8 921.51 47.70 0 -2 -8 872.01 47.30 0 -2 8 883.41 47.60 0 -2 8 925.51 47.80 0 -2 8 925.31 48.10 0 -2 -8 883.61 47.60 0 2 -9 130.29 8.00 0 2 -9 163.08 8.50 0 2 9 155.48 7.70 0 2 -9 138.89 8.30 0 2 9 158.28 7.80 0 2 -9 148.59 7.70 0 2 -9 151.98 8.10 0 2 -9 151.58 8.40 0 2 -9 141.59 8.20 0 -2 9 158.18 8.20 0 -2 -9 139.09 7.90 0 -2 9 147.49 8.30 0 -2 -9 143.89 8.00 0 -2 -9 139.49 7.80 0 -2 -9 121.49 8.10 0 -2 -9 151.08 8.30 0 -2 -9 130.59 8.00 0 -2 9 150.68 8.10 0 -2 9 136.49 8.60 0 -2 9 146.19 8.50 0 2 -10 5.30 1.40 0 2 -10 4.10 0.90 0 2 -10 4.80 1.20 0 2 -10 3.30 0.70 0 2 10 4.00 0.70 0 2 -10 3.20 1.00 0 2 -10 4.10 1.10 0 2 -10 3.30 1.10 0 2 10 3.20 0.70 0 -2 10 4.10 1.00 0 -2 -10 3.40 0.70 0 -2 10 4.30 1.00 0 -2 10 5.70 1.20 0 -2 -10 4.70 0.90 0 -2 -10 2.90 1.00 0 -2 -10 4.80 1.20 0 -2 -10 3.40 0.80 0 -2 -10 2.70 0.80 0 -2 10 4.00 1.20 0 2 11 1190.08 64.19 0 2 11 1317.87 64.29 0 2 -11 1286.27 64.29 0 2 -11 1255.17 65.29 0 2 -11 1280.17 64.89 0 2 -11 1294.07 64.69 0 2 -11 1238.98 64.99 0 2 11 1288.37 64.29 0 -2 -11 1261.37 64.39 0 -2 -11 1247.88 64.89 0 -2 11 1204.78 64.69 0 -2 -11 1263.17 64.89 0 -2 11 1299.57 65.09 0 -2 11 1253.67 64.49 0 2 -12 2.40 0.70 0 2 12 0.30 0.60 0 2 12 2.10 0.80 0 2 12 1.10 0.70 0 2 -12 1.40 0.90 0 2 -12 0.60 1.00 0 -2 -12 0.50 0.70 0 -2 -12 0.70 0.70 0 -2 12 1.60 1.00 0 -2 -12 2.30 0.80 0 -2 12 0.20 0.80 0 -2 -12 0.00 0.90 0 -2 12 2.80 0.90 0 2 -13 0.30 0.80 0 2 13 0.70 0.70 0 -2 -13 0.90 1.00 0 2 14 44.30 2.80 0 2 14 43.40 2.90 0 2 -14 43.10 3.40 0 2 14 40.90 2.90 0 2 -14 40.40 2.90 0 2 14 43.30 3.10 0 -2 14 39.60 2.90 0 -2 -14 45.20 3.40 0 -2 -14 44.00 3.00 0 -2 -14 42.40 3.20 0 -2 14 46.80 3.40 0 2 -15 78.79 5.20 0 2 15 70.69 4.50 0 2 15 73.89 4.30 0 2 15 59.79 4.30 0 -2 15 75.19 5.00 0 -2 -15 77.69 4.50 0 -2 -15 72.19 4.60 0 2 16 191.08 11.00 0 2 -16 221.58 11.10 0 2 16 194.38 10.80 0 -2 16 210.88 11.20 0 -2 16 192.38 11.00 0 -2 -16 222.48 10.90 0 -2 -16 202.38 11.00 0 3 0 0.10 0.40 0 -3 0 0.20 0.20 0 -3 0 0.60 0.40 0 3 -1 196.88 10.80 0 3 1 197.28 10.80 0 -3 -1 218.48 10.60 0 -3 1 199.28 10.60 0 -3 1 210.38 10.50 0 -3 1 204.58 10.50 0 -3 -1 196.48 10.50 0 3 -2 111.39 6.30 0 -3 2 120.99 6.10 0 -3 -2 117.49 6.20 0 -3 2 108.79 6.00 0 -3 -2 112.69 6.00 0 3 -3 360.66 19.10 0 -3 -3 382.26 19.10 0 -3 -3 363.76 18.80 0 -3 3 360.96 18.90 0 -3 3 376.36 19.00 0 3 -4 2274.67 114.49 0 3 4 2256.27 122.89 0 3 4 2323.07 116.09 0 3 -4 2253.77 118.99 0 -3 -4 2159.68 114.69 0 -3 -4 2209.28 119.89 0 -3 4 2111.59 118.29 0 -3 4 2179.08 114.29 0 3 -5 1193.08 61.29 0 3 -5 1171.58 61.19 0 -3 5 1183.68 61.09 0 -3 -5 1253.47 61.19 0 3 -6 1368.96 70.69 0 3 -6 1387.46 70.49 0 -3 -6 1384.06 70.49 0 -3 -6 1432.16 70.49 0 -3 6 1348.67 70.49 0 3 -7 2.20 0.80 0 3 -7 2.60 0.60 0 3 -7 2.50 0.90 0 3 7 4.20 1.10 0 3 -7 4.90 1.00 0 3 7 2.70 0.60 0 3 -7 2.50 0.90 0 -3 7 1.80 0.80 0 -3 7 2.80 0.80 0 -3 -7 4.50 0.90 0 -3 7 3.40 1.00 0 -3 -7 4.30 0.70 0 -3 7 1.50 0.70 0 -3 -7 2.70 0.80 0 3 -8 52.29 3.60 0 3 8 53.19 4.00 0 3 -8 47.40 3.60 0 3 -8 53.99 3.00 0 3 8 56.09 3.10 0 3 -8 48.70 3.60 0 3 8 49.30 3.00 0 3 -8 42.10 3.20 0 3 -8 50.79 3.40 0 -3 8 47.40 3.60 0 -3 8 46.60 3.70 0 -3 8 48.50 3.40 0 -3 -8 47.30 3.30 0 -3 -8 51.09 3.40 0 -3 -8 48.10 3.30 0 -3 -8 55.59 3.20 0 -3 -8 49.30 3.00 0 -3 8 48.80 3.60 0 3 -9 540.45 27.20 0 3 9 567.64 26.90 0 3 -9 535.35 26.90 0 3 -9 499.45 27.70 0 3 -9 520.15 27.60 0 3 9 528.35 27.00 0 3 -9 541.15 27.60 0 3 -9 501.85 27.20 0 -3 -9 514.55 26.90 0 -3 9 527.45 27.80 0 -3 9 512.45 27.30 0 -3 -9 510.75 27.20 0 -3 -9 499.15 27.10 0 -3 9 545.05 27.30 0 -3 9 514.55 27.90 0 -3 -9 511.45 27.10 0 -3 -9 532.25 27.40 0 3 10 90.89 4.80 0 3 -10 81.19 5.00 0 3 -10 85.39 4.80 0 3 -10 83.39 5.50 0 3 10 86.09 4.80 0 3 -10 88.59 5.40 0 3 -10 80.69 5.60 0 -3 10 88.29 5.80 0 -3 -10 80.39 5.00 0 -3 -10 75.89 5.00 0 -3 -10 86.39 5.20 0 -3 -10 82.59 5.30 0 -3 -10 85.89 4.80 0 3 -11 1886.71 97.89 0 3 -11 1909.81 97.79 0 3 -11 1951.30 97.29 0 3 -11 1836.72 98.09 0 -3 -11 1895.61 97.29 0 -3 11 1884.81 97.39 0 -3 11 2018.60 98.19 0 -3 -11 1874.31 97.49 0 -3 -11 1974.10 97.69 0 -3 -11 1940.11 97.89 0 3 -12 499.35 26.70 0 3 -12 469.55 25.30 0 3 -12 446.76 26.80 0 3 12 532.75 25.20 0 3 12 503.05 25.20 0 3 12 466.35 25.40 0 3 -12 496.55 25.60 0 -3 12 494.75 26.60 0 -3 -12 516.65 25.80 0 -3 12 450.85 25.40 0 -3 -12 481.15 25.30 0 3 13 310.07 16.30 0 3 13 318.57 16.20 0 3 -13 309.77 16.90 0 3 -13 317.97 16.60 0 3 13 269.67 16.40 0 -3 -13 320.57 17.20 0 -3 -13 306.07 16.20 0 -3 13 329.67 17.00 0 -3 -13 307.87 16.30 0 3 -14 484.35 25.70 0 3 14 499.15 25.50 0 3 14 476.85 25.60 0 3 -14 514.95 26.10 0 3 14 469.15 25.50 0 3 14 494.95 25.70 0 -3 -14 494.45 26.00 0 -3 -14 515.95 26.00 0 -3 14 512.75 26.10 0 -3 -14 496.75 25.60 0 3 15 112.69 6.00 0 3 15 113.79 5.70 0 3 15 99.39 5.70 0 3 15 86.69 5.70 0 3 -15 97.89 6.10 0 -3 -15 115.59 5.80 0 -3 -15 100.99 6.10 0 -3 15 107.89 6.10 0 -3 15 109.49 6.30 0 3 16 50.69 3.40 0 -3 -16 50.89 3.20 0 -3 16 60.09 3.30 0 -3 -16 58.29 3.00 0 -3 16 53.89 3.90 0 4 0 88.99 5.20 0 4 0 86.89 5.00 0 4 0 82.99 5.00 0 4 -1 77.99 4.80 0 4 -1 82.79 4.90 0 4 1 77.19 4.80 0 4 1 83.79 5.00 0 4 -1 80.29 4.80 0 -4 1 86.69 4.70 0 -4 -1 88.89 4.60 0 4 2 1032.70 53.29 0 4 -2 1031.30 53.19 0 4 -2 1019.00 53.09 0 4 2 1007.30 52.99 0 -4 -2 1102.29 52.79 0 4 -3 331.47 17.80 0 4 -3 342.97 18.00 0 4 3 339.07 17.80 0 4 -3 348.47 17.90 0 4 -4 744.83 37.70 0 4 4 705.03 37.70 0 4 -4 741.03 37.90 0 4 -4 750.12 38.00 0 4 -5 651.13 31.80 0 4 -5 613.44 32.00 0 4 5 615.84 31.60 0 4 -5 527.65 32.50 0 -4 -5 629.24 31.80 0 -4 -5 601.24 31.70 0 -4 5 665.33 32.50 0 -4 5 595.24 32.00 0 -4 -5 615.94 31.50 0 4 -6 272.17 14.90 0 4 -6 275.17 14.90 0 4 6 276.07 14.30 0 4 -6 286.27 14.70 0 4 -6 271.57 14.50 0 4 -6 288.17 14.40 0 -4 -6 283.77 14.60 0 -4 -6 251.77 14.20 0 -4 -6 258.77 14.60 0 -4 -6 268.27 14.40 0 -4 6 270.27 15.00 0 -4 6 275.67 15.20 0 -4 -6 267.77 14.50 0 4 -7 244.28 13.40 0 4 -7 248.48 13.40 0 4 -7 247.08 13.10 0 4 -7 243.98 12.80 0 4 -7 234.38 13.50 0 4 -7 246.88 13.10 0 4 7 245.18 12.80 0 -4 -7 237.28 12.80 0 -4 7 245.88 13.60 0 -4 7 244.78 12.80 0 -4 -7 231.98 13.00 0 -4 -7 241.08 12.90 0 -4 7 243.98 13.50 0 -4 -7 238.98 13.00 0 -4 -7 234.88 12.70 0 4 8 350.36 18.10 0 4 -8 291.77 19.20 0 4 -8 370.76 18.00 0 4 8 367.16 18.00 0 4 -8 355.26 18.70 0 4 -8 333.27 18.80 0 4 -8 348.17 18.40 0 -4 8 352.06 19.20 0 -4 -8 357.26 18.10 0 -4 -8 298.67 18.50 0 -4 8 365.86 18.10 0 -4 -8 357.96 18.40 0 -4 8 344.67 18.90 0 4 -9 1139.09 62.59 0 4 9 1265.57 61.99 0 4 -9 1204.78 61.69 0 4 -9 1059.69 61.89 0 4 -9 1231.48 63.19 0 4 -9 1206.98 61.89 0 4 -9 1269.77 62.59 0 -4 9 1256.57 62.69 0 -4 -9 1242.48 62.09 0 -4 -9 1231.58 61.59 0 -4 -9 1205.88 61.79 0 -4 -9 1221.78 61.99 0 -4 -9 1223.68 61.89 0 4 -10 772.82 40.70 0 4 -10 765.92 41.60 0 4 -10 795.72 40.80 0 4 10 790.12 40.70 0 4 -10 821.52 41.50 0 4 -10 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7 583.94 30.20 0 -5 -7 571.14 29.20 0 5 -8 186.48 11.80 0 5 8 226.08 11.60 0 5 -8 238.58 12.50 0 5 -8 215.18 11.90 0 5 -8 232.08 12.50 0 5 8 213.58 11.70 0 5 -8 234.38 11.70 0 -5 -8 217.68 12.00 0 -5 -8 213.78 11.60 0 -5 8 225.38 12.80 0 -5 8 206.48 12.30 0 -5 -8 219.18 11.50 0 -5 -8 218.58 12.00 0 5 9 83.69 5.00 0 5 -9 91.19 5.80 0 5 9 92.49 4.90 0 5 -9 88.49 5.60 0 5 -9 84.49 5.10 0 -5 -9 87.19 5.30 0 -5 -9 78.09 5.50 0 -5 -9 86.29 5.30 0 -5 9 80.39 5.90 0 -5 9 87.69 5.90 0 -5 -9 86.59 4.90 0 5 -10 207.08 11.50 0 5 10 220.98 11.50 0 5 10 220.58 11.60 0 5 -10 234.58 12.40 0 5 -10 232.78 12.30 0 -5 -10 229.18 12.00 0 -5 -10 218.88 11.70 0 -5 -10 219.98 11.50 0 -5 10 211.98 12.60 0 -5 10 215.18 12.20 0 -5 -10 200.08 11.60 0 5 11 8.70 1.00 0 5 -11 5.90 1.40 0 5 -11 6.70 1.30 0 5 11 7.60 1.00 0 -5 -11 6.50 1.30 0 -5 11 4.50 1.20 0 -5 11 3.80 1.40 0 -5 -11 6.60 1.00 0 -5 -11 7.50 1.00 0 5 -12 61.59 4.00 0 5 12 63.89 3.70 0 5 12 65.99 3.70 0 5 -12 71.09 4.60 0 -5 12 64.49 4.00 0 -5 -12 65.19 3.80 0 -5 -12 64.89 4.30 0 -5 12 62.19 5.50 0 5 -13 -0.60 0.50 0 5 13 -0.10 0.40 0 5 13 -0.20 0.40 0 5 -13 0.70 0.60 0 5 13 0.10 0.40 0 -5 13 -0.60 0.80 0 -5 -13 0.40 0.60 0 -5 -13 0.10 0.70 0 -5 -13 -0.10 0.40 0 5 14 57.99 3.00 0 5 14 52.89 3.10 0 -5 14 51.69 3.40 0 6 0 9.30 1.40 0 6 0 9.00 1.50 0 6 0 9.40 2.20 0 6 0 12.70 1.70 0 6 0 9.70 1.30 0 -6 0 8.10 1.50 0 -6 0 12.00 1.80 0 6 -1 892.61 46.50 0 6 -1 921.01 46.30 0 6 1 935.51 46.40 0 6 1 883.71 46.20 0 6 1 916.51 46.40 0 6 1 883.41 46.10 0 6 -1 883.51 46.20 0 6 -1 961.30 46.50 0 -6 1 881.01 46.50 0 -6 -1 895.71 46.30 0 -6 1 966.20 47.00 0 -6 1 754.22 46.30 0 -6 1 914.41 46.50 0 -6 -1 909.21 46.50 0 6 -2 6.60 1.30 0 6 -2 7.90 1.50 0 6 -2 9.60 1.50 0 6 -2 11.20 1.50 0 6 2 8.90 1.70 0 6 2 7.10 1.00 0 6 2 6.80 1.30 0 -6 -2 7.30 1.30 0 -6 -2 7.00 1.30 0 -6 2 9.20 2.00 0 -6 -2 9.40 1.70 0 -6 2 8.00 1.60 0 -6 -2 7.70 1.50 0 -6 2 7.60 1.50 0 6 3 1941.71 106.59 0 6 -3 2109.09 106.29 0 -6 -3 2049.40 106.19 0 -6 3 2249.27 106.99 0 -6 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705.73 36.90 0 -6 7 721.23 37.90 0 -6 -7 705.23 37.20 0 -6 -7 820.62 37.70 0 6 -8 34.10 2.40 0 6 -8 27.30 2.20 0 6 -8 33.30 2.90 0 6 -8 31.30 2.80 0 6 8 33.80 2.20 0 6 8 32.90 2.30 0 -6 -8 27.60 2.10 0 -6 -8 29.70 2.60 0 -6 -8 34.70 2.60 0 -6 8 31.50 3.20 0 -6 8 24.00 2.20 0 -6 -8 34.00 2.10 0 6 -9 0.50 0.60 0 6 -9 0.50 0.90 0 6 -9 -0.20 0.80 0 6 9 0.30 0.60 0 -6 -9 0.40 0.50 0 -6 -9 -0.40 0.60 0 -6 9 0.10 1.00 0 -6 -9 0.00 0.80 0 -6 -9 -0.70 0.70 0 6 10 1.30 0.50 0 6 10 1.60 0.60 0 6 -10 2.00 0.90 0 6 -10 1.40 1.00 0 -6 -10 2.80 0.90 0 -6 -10 2.10 0.90 0 -6 -10 1.60 0.90 0 -6 10 2.00 1.20 0 -6 -10 2.80 0.70 0 6 11 49.50 2.90 0 6 -11 44.40 3.10 0 6 11 40.90 2.70 0 6 -11 41.90 3.00 0 -6 -11 44.30 3.00 0 -6 -11 43.90 2.50 0 -6 -11 47.30 2.70 0 -6 11 44.80 3.40 0 6 12 0.30 0.40 0 6 12 0.40 0.40 0 6 -12 -0.10 0.60 0 6 -12 0.70 0.50 0 6 12 0.30 0.40 0 -6 -12 1.00 0.50 0 -6 -12 0.00 0.60 0 -6 12 0.10 0.70 0 7 0 -1.00 0.80 0 7 0 1.40 0.80 0 7 0 -1.30 0.90 0 7 0 -0.60 0.80 0 7 0 -0.20 0.60 0 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5.70 1.00 -5 -7 8 5.80 0.90 -5 7 7 56.19 3.30 5 7 -7 55.79 3.80 5 7 -7 50.39 3.60 5 7 -7 60.29 4.50 5 7 -7 51.99 3.70 -5 -7 7 56.99 3.50 5 -7 -7 60.69 3.60 -5 -7 7 55.99 3.50 5 7 -6 15.60 1.80 5 7 -6 15.70 1.80 5 7 -6 16.40 1.80 5 7 -6 16.20 1.80 -5 7 6 15.70 1.30 -5 -7 6 14.70 1.90 -5 -7 6 16.80 2.20 5 -7 -6 16.80 1.50 -5 -7 6 18.90 2.20 5 7 -5 5.00 1.20 5 7 -5 2.70 1.10 5 7 -5 2.50 1.00 -5 7 5 2.10 0.50 -5 7 5 3.60 0.60 5 7 -5 3.60 1.10 -5 -7 5 2.30 1.00 -5 -7 5 3.50 1.00 -5 -7 5 2.00 1.20 5 -7 -5 2.90 0.70 -5 -7 5 2.20 0.80 -5 -7 5 4.20 1.10 -5 7 4 12.90 1.20 5 7 -4 13.70 1.70 5 7 -4 13.10 1.80 5 7 -4 11.70 1.60 5 7 -4 12.20 1.70 -5 -7 4 12.40 1.50 -5 -7 4 13.20 1.80 5 -7 -4 12.60 1.50 -5 -7 4 13.50 2.10 -5 -7 4 11.80 1.70 -5 -7 4 12.90 1.70 5 7 -3 2.50 1.30 5 7 -3 2.10 0.80 5 7 -3 3.60 1.00 -5 7 3 1.10 0.50 -5 7 3 1.70 0.50 5 7 -3 3.00 0.90 -5 -7 3 2.10 1.30 5 -7 -3 2.60 0.80 -5 -7 3 4.80 0.90 5 -7 -3 2.40 0.70 -5 -7 3 2.90 1.10 -5 -7 3 2.40 1.00 -5 -7 3 1.50 1.10 -5 7 2 9.60 1.00 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5 -6 839.92 46.80 7 5 -6 901.61 47.20 7 5 -6 918.61 46.40 -7 -5 6 978.10 48.00 -7 -5 6 905.31 47.00 7 -5 -6 919.11 46.90 -7 -5 6 956.80 47.70 -7 -5 6 858.01 47.50 -7 -5 6 938.91 47.40 7 -5 -6 874.11 46.60 7 -5 -6 940.01 46.70 -7 5 5 1.80 0.60 7 5 -5 2.60 1.00 -7 5 5 1.60 1.10 7 5 -5 2.60 0.60 7 5 -5 1.00 0.90 7 5 -5 1.40 1.00 7 -5 -5 1.40 0.80 -7 -5 5 2.50 1.30 -7 -5 5 1.70 0.90 -7 -5 5 3.50 1.40 7 -5 -5 1.00 0.70 -7 -5 5 3.30 1.40 -7 -5 5 3.00 1.60 7 -5 -5 1.70 0.80 7 -5 -5 2.70 1.00 -7 5 4 94.39 7.00 7 5 -4 93.69 5.80 7 5 -4 84.79 5.50 7 5 -4 89.69 5.60 -7 5 4 91.79 5.00 7 -5 -4 87.59 5.10 -7 -5 4 91.99 6.50 -7 -5 4 92.89 6.10 -7 -5 4 84.59 6.00 -7 -5 4 92.29 5.50 7 -5 -4 87.79 5.40 7 -5 -4 85.49 5.40 -7 -5 4 93.89 6.20 7 -5 -4 91.79 5.50 7 -5 -4 76.39 5.40 7 5 -3 10.20 1.60 -7 5 3 11.00 1.10 7 5 -3 11.60 1.70 7 5 -3 12.60 1.20 -7 5 3 14.30 1.30 7 5 -3 13.10 1.70 -7 5 3 12.40 2.00 7 -5 -3 14.30 1.70 -7 -5 3 11.90 2.10 7 -5 -3 12.20 1.60 -7 -5 3 14.10 2.50 7 -5 -3 12.00 1.60 -7 -5 3 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3.20 0.90 -7 -5 -1 2.20 0.60 -7 -5 -1 3.70 1.20 7 -5 1 4.00 1.10 7 -5 1 5.70 1.30 7 -5 1 2.80 1.00 -7 -5 -1 4.70 1.50 7 -5 1 4.80 1.40 -7 -5 -1 3.80 1.50 -7 -5 -1 2.70 1.60 -7 5 -2 48.90 3.50 -7 5 -2 50.29 3.40 7 5 2 45.50 3.20 -7 5 -2 56.39 3.40 7 5 2 46.70 3.10 -7 -5 -2 47.00 3.90 -7 -5 -2 51.19 3.40 -7 -5 -2 45.70 3.80 7 -5 2 49.40 3.50 7 -5 2 49.50 3.40 7 -5 2 51.39 3.90 -7 -5 -2 47.50 3.80 7 -5 2 44.80 3.50 -7 5 -3 19.00 1.90 -7 5 -3 20.40 2.00 7 5 3 18.10 1.60 7 5 3 18.70 1.70 -7 5 -3 21.20 1.90 7 -5 3 20.40 2.20 -7 -5 -3 19.20 1.90 -7 -5 -3 18.60 2.40 7 -5 3 19.80 2.20 -7 -5 -3 17.80 1.70 -7 -5 -3 15.10 2.50 7 -5 3 20.40 2.10 -7 -5 -3 19.40 2.30 7 -5 3 19.80 2.40 7 -5 3 15.90 2.50 -7 5 -4 0.50 1.10 -7 5 -4 2.60 0.90 7 5 4 1.20 0.70 7 5 4 1.30 0.60 -7 5 -4 1.30 0.90 -7 -5 -4 1.50 1.10 7 -5 4 -0.40 0.70 -7 -5 -4 1.90 0.80 7 -5 4 0.70 1.00 -7 -5 -4 1.60 0.70 -7 -5 -4 2.10 1.10 7 -5 4 1.40 0.90 7 -5 4 2.40 1.20 7 5 5 12.00 1.60 -7 5 -5 17.80 1.90 -7 5 -5 11.70 1.70 7 5 5 18.50 1.60 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1.80 7 6 -4 9.00 1.70 -7 6 4 8.40 1.60 7 6 -4 6.90 1.00 -7 6 4 8.40 1.00 7 6 -4 8.60 1.60 7 6 -4 9.60 1.50 -7 -6 4 10.70 1.40 7 -6 -4 11.60 2.20 -7 -6 4 8.00 2.00 -7 -6 4 10.10 2.90 7 6 -3 3.60 1.20 7 6 -3 4.20 1.20 7 6 -3 2.30 0.80 -7 6 3 2.20 0.60 -7 6 3 3.70 0.80 7 6 -3 4.30 1.20 7 6 -3 2.80 1.00 -7 -6 3 3.40 1.70 -7 -6 3 1.70 1.30 7 -6 -3 5.90 1.10 -7 -6 3 3.20 1.00 -7 -6 3 3.50 1.20 7 -6 -3 2.80 1.00 -7 -6 3 3.40 1.40 -7 6 2 43.80 2.80 7 6 -2 43.20 3.20 7 6 -2 38.60 3.00 7 6 -2 39.20 2.60 -7 6 2 41.50 3.60 7 6 -2 41.50 3.10 7 6 -2 47.20 3.10 -7 -6 2 39.40 3.20 -7 -6 2 40.70 3.60 -7 -6 2 42.00 3.60 7 -6 -2 41.50 3.10 -7 -6 2 42.40 4.00 -7 -6 2 41.00 2.50 7 -6 -2 37.20 3.00 7 6 -1 6.30 1.20 7 6 -1 9.00 1.20 -7 6 1 6.70 1.00 7 6 -1 5.20 1.00 7 6 -1 5.40 0.90 7 6 -1 7.80 1.40 -7 6 1 6.00 1.40 -7 -6 1 6.50 1.70 -7 -6 1 9.80 2.10 7 -6 -1 8.10 1.40 -7 -6 1 6.50 1.30 7 -6 -1 5.30 1.20 -7 -6 1 8.10 1.70 -7 6 0 1.00 0.70 -7 6 0 0.60 0.70 7 6 0 -0.60 0.70 7 6 0 0.40 0.70 7 6 0 -0.50 0.50 -7 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7.40 1.70 -8 4 -3 3.50 0.80 -8 4 -3 3.30 0.90 -8 -4 -3 3.10 0.80 -8 -4 -3 3.00 0.70 8 -4 3 4.80 1.10 8 -4 3 5.40 1.10 -8 -4 -3 2.70 1.20 8 -4 3 2.70 1.00 8 -4 3 2.60 1.10 -8 -4 -3 3.80 1.20 8 -4 3 2.30 1.00 8 -4 3 3.70 1.10 -8 -4 -3 1.70 1.00 -8 4 -4 6.60 1.00 -8 4 -4 6.50 1.60 -8 4 -4 7.60 1.20 -8 4 -4 6.70 1.30 8 4 4 5.90 0.80 8 -4 4 8.20 1.30 8 -4 4 7.70 1.60 -8 -4 -4 7.20 1.20 -8 -4 -4 6.00 1.50 -8 -4 -4 5.00 0.90 8 -4 4 5.00 1.30 -8 -4 -4 7.00 1.50 -8 -4 -4 8.30 1.30 8 -4 4 8.40 1.60 8 4 5 65.09 4.10 -8 4 -5 74.59 4.40 -8 4 -5 75.99 4.60 -8 4 -5 62.29 5.60 -8 4 -5 76.49 5.50 8 -4 5 75.29 4.90 8 -4 5 68.29 4.50 -8 -4 -5 67.29 4.70 -8 -4 -5 81.59 4.50 8 -4 5 77.49 4.90 -8 -4 -5 64.49 4.50 -8 -4 -5 68.39 4.80 8 -4 5 73.19 5.00 -8 -4 -5 70.79 4.40 8 -4 5 78.19 5.20 -8 4 -6 53.49 3.60 8 4 6 57.69 3.40 -8 4 -6 55.29 4.70 -8 4 -6 62.09 4.50 -8 -4 -6 61.19 3.70 -8 -4 -6 57.19 3.70 8 -4 6 57.29 3.90 -8 -4 -6 57.09 4.00 8 -4 6 57.29 4.20 8 -4 6 62.49 4.50 -8 -4 -6 56.99 4.00 -8 -4 -6 57.59 4.10 8 -4 6 53.99 4.60 -8 4 -7 9.30 1.90 8 4 7 11.20 1.10 -8 4 -7 9.60 1.40 -8 -4 -7 10.00 1.70 8 -4 7 7.80 1.60 8 -4 7 8.20 1.60 -8 -4 -7 13.50 1.60 -8 -4 -7 11.80 1.70 8 -4 7 10.60 2.00 -8 -4 -7 14.60 1.60 -8 4 -8 96.99 5.90 -8 4 -8 103.79 6.40 -8 4 -8 107.39 6.70 8 4 8 98.69 5.50 8 4 8 93.49 5.50 -8 -4 -8 103.39 5.90 -8 -4 -8 98.69 6.00 -8 -4 -8 104.19 6.00 8 -4 8 98.39 6.40 8 -4 8 97.89 6.30 8 -4 8 100.89 6.60 -8 -4 -8 97.29 6.20 -8 4 -9 13.60 1.60 8 4 9 15.40 1.20 -8 4 -9 14.10 1.90 -8 4 -9 17.40 2.50 -8 -4 -9 13.80 1.70 -8 -4 -9 13.90 1.80 8 -4 9 12.70 1.90 8 -4 9 13.20 2.10 8 -4 9 12.80 2.00 -8 -4 -9 15.80 1.80 -8 -4 -9 14.70 1.70 8 4 10 7.50 0.80 -8 4 -10 6.40 1.00 -8 4 -10 4.10 1.20 -8 4 -10 6.00 1.30 -8 -4 -10 5.30 1.10 -8 -4 -10 9.70 1.50 -8 -4 -10 6.40 1.20 8 -4 10 6.20 1.60 8 -4 10 2.90 1.10 8 -4 10 7.00 1.50 -8 -4 -10 9.70 1.50 8 4 11 51.09 2.90 -8 4 -11 45.60 3.50 8 -4 11 52.19 3.50 -8 -4 -11 53.39 3.40 8 -4 11 51.09 3.80 -8 -4 -11 49.99 3.50 -8 -4 -11 50.99 3.40 -8 -4 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31.40 2.80 8 5 -9 31.20 2.80 -8 -5 9 28.20 2.90 8 -5 -9 27.70 2.10 8 -5 -9 31.00 2.20 -8 -5 9 28.90 2.60 8 -5 -9 29.60 2.40 -8 -5 9 30.30 3.00 8 5 -8 90.19 5.90 8 5 -8 89.99 5.60 8 5 -8 90.39 5.70 8 5 -8 92.39 5.90 -8 5 8 93.59 5.10 -8 -5 8 87.49 5.60 -8 -5 8 91.49 6.10 -8 -5 8 86.49 6.10 -8 -5 8 92.19 5.70 -8 -5 8 97.29 6.30 8 -5 -8 90.19 5.50 8 -5 -8 91.09 5.30 8 -5 -8 84.99 5.20 8 5 -7 54.39 3.20 8 5 -7 54.59 3.90 8 5 -7 49.00 4.50 -8 5 7 49.40 4.40 -8 5 7 56.29 3.30 -8 -5 7 58.69 5.50 8 -5 -7 53.69 4.00 -8 -5 7 46.00 4.20 8 -5 -7 53.29 3.70 -8 5 6 121.09 6.40 -8 5 6 114.39 7.60 8 5 -6 116.79 6.30 8 5 -6 116.39 7.00 8 5 -6 110.39 7.10 8 5 -6 116.09 6.90 -8 -5 6 110.29 6.80 -8 -5 6 113.39 7.50 -8 -5 6 119.29 7.60 8 -5 -6 119.19 6.80 8 -5 -6 120.89 6.90 8 -5 -6 111.69 6.60 -8 -5 6 111.89 7.30 -8 -5 6 126.09 7.90 -8 -5 6 115.69 6.80 -8 5 5 105.19 5.50 8 5 -5 91.29 6.00 -8 5 5 92.09 6.50 8 5 -5 95.69 6.20 8 5 -5 94.19 6.10 8 5 -5 99.89 5.40 -8 -5 5 97.09 6.60 -8 -5 5 101.79 6.60 8 -5 -5 104.29 6.00 8 -5 -5 92.49 5.50 -8 -5 5 103.69 6.80 8 -5 -5 98.19 6.00 -8 -5 5 99.79 6.90 8 -5 -5 96.99 5.70 -8 -5 5 107.99 6.00 -8 -5 5 97.49 6.00 8 5 -4 2.60 1.10 -8 5 4 1.70 0.50 8 5 -4 4.00 1.10 8 5 -4 3.20 1.00 8 5 -4 0.80 0.40 -8 5 4 2.30 1.10 8 -5 -4 1.70 0.80 8 -5 -4 1.90 0.90 8 -5 -4 1.30 0.90 -8 -5 4 1.20 1.30 -8 -5 4 1.70 0.70 8 -5 -4 2.80 0.90 -8 -5 4 1.70 1.30 -8 -5 4 1.50 1.50 -8 -5 4 1.20 1.00 8 -5 -4 1.40 1.00 8 5 -3 20.80 2.60 -8 5 3 23.20 2.10 -8 5 3 23.30 1.70 8 5 -3 21.40 2.30 8 -5 -3 24.30 2.20 -8 -5 3 21.60 2.30 -8 -5 3 23.10 3.10 8 -5 -3 24.90 2.20 8 -5 -3 20.10 1.90 8 -5 -3 21.10 2.20 8 -5 -3 24.60 2.20 -8 -5 3 20.70 2.60 -8 -5 3 24.30 2.90 -8 -5 3 26.90 1.90 -8 -5 3 25.30 2.80 8 -5 -3 23.80 2.40 -8 5 2 181.88 9.50 8 5 -2 180.08 9.20 8 5 -2 178.48 9.70 -8 5 2 163.88 10.10 8 -5 -2 176.68 9.70 -8 -5 2 179.28 10.40 8 -5 -2 164.98 9.70 8 -5 -2 175.38 10.00 -8 -5 2 159.88 11.30 -8 -5 2 175.38 9.80 -8 -5 2 172.38 10.40 -8 -5 2 176.28 10.70 8 5 -1 29.00 2.00 -8 5 1 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4 -6 75.19 4.60 10 4 -6 63.99 4.60 -10 4 6 70.89 4.10 10 4 -6 73.69 4.00 -10 4 6 69.19 4.20 -10 4 6 77.99 5.20 10 4 -6 68.39 4.50 10 -4 -6 73.99 5.10 -10 -4 6 74.69 5.20 -10 -4 6 72.69 4.40 10 -4 -6 70.89 4.50 -10 -4 6 67.59 5.30 -10 -4 6 65.69 5.20 10 -4 -6 70.99 4.50 10 -4 -6 70.59 4.70 -10 -4 6 73.89 5.50 10 -4 -6 61.89 4.20 10 -4 -6 62.69 4.30 10 4 -5 21.80 2.20 10 4 -5 19.80 2.10 10 4 -5 19.10 1.40 -10 4 5 14.50 1.90 10 -4 -5 18.60 1.80 10 -4 -5 20.70 2.20 -10 -4 5 20.50 2.60 10 -4 -5 22.60 2.10 -10 -4 5 18.50 2.70 10 -4 -5 20.30 2.30 -10 -4 5 17.20 2.60 -10 -4 5 22.40 1.80 10 -4 -5 20.00 2.40 -10 -4 5 20.40 2.80 10 -4 -5 20.10 1.90 10 -4 -5 19.30 2.10 10 4 -4 19.60 1.30 -10 4 4 20.20 2.30 10 4 -4 18.80 1.90 -10 4 4 15.40 2.20 -10 -4 4 21.20 2.70 -10 -4 4 18.70 2.60 10 -4 -4 19.00 2.00 10 -4 -4 17.10 2.10 -10 -4 4 21.30 2.60 -10 -4 4 17.80 2.70 -10 -4 4 18.00 1.80 10 -4 -4 18.20 2.60 10 4 -3 139.59 7.50 10 4 -3 135.79 8.00 -10 4 3 150.98 8.50 10 -4 -3 144.89 8.30 -10 -4 3 142.19 9.10 -10 -4 3 146.09 8.90 10 -4 -3 144.89 8.20 -10 -4 3 138.99 8.90 10 -4 -3 139.49 8.10 10 -4 -3 146.69 8.60 -10 -4 3 145.69 9.00 -10 -4 3 138.79 7.90 10 -4 -3 147.49 8.40 10 -4 -3 147.69 8.30 10 4 -2 206.68 11.70 10 4 -2 211.18 11.20 -10 4 2 239.78 11.70 10 -4 -2 206.88 11.90 -10 -4 2 215.88 12.60 -10 -4 2 205.08 13.70 -10 -4 2 223.58 12.70 10 -4 -2 238.58 12.70 -10 -4 2 228.38 12.80 10 -4 -2 226.28 12.10 10 -4 -2 193.78 13.30 -10 -4 2 213.48 11.70 10 -4 -2 223.58 12.10 10 4 -1 549.35 30.60 -10 4 1 565.94 31.40 -10 4 1 607.84 31.60 -10 4 1 612.44 31.10 10 -4 -1 542.85 31.30 10 -4 -1 638.14 31.50 -10 -4 1 623.04 31.20 -10 -4 1 619.64 32.40 -10 -4 1 621.54 32.00 10 -4 -1 617.64 31.50 10 -4 -1 644.84 32.10 -10 4 0 9.10 1.50 -10 4 0 10.40 1.20 -10 4 0 10.90 1.60 -10 -4 0 8.50 1.30 -10 -4 0 10.70 1.90 10 -4 0 9.60 1.90 10 -4 0 6.90 1.30 10 -4 0 11.20 1.70 -10 -4 0 11.80 2.20 -10 -4 0 10.40 2.70 -10 4 -1 317.97 16.30 -10 4 -1 310.27 16.60 -10 4 -1 323.07 16.80 -10 -4 -1 280.27 16.00 -10 -4 -1 302.07 17.20 -10 -4 -1 320.27 16.30 10 -4 1 292.47 16.50 10 -4 1 336.77 16.80 -10 -4 -1 286.87 16.90 -10 4 -2 4.60 1.50 -10 4 -2 4.20 1.20 -10 4 -2 3.80 1.40 -10 -4 -2 2.30 0.90 -10 -4 -2 3.80 0.80 -10 -4 -2 2.20 1.10 -10 -4 -2 3.00 1.40 10 -4 2 3.50 1.00 10 -4 2 2.50 1.10 -10 -4 -2 3.40 1.40 10 -4 2 2.80 1.30 10 -4 2 2.80 1.10 -10 4 -3 326.17 17.50 -10 4 -3 319.17 17.90 -10 4 -3 349.87 17.50 -10 4 -3 329.47 17.10 -10 -4 -3 302.57 16.80 -10 -4 -3 311.67 17.60 10 -4 3 327.37 18.30 10 -4 3 315.57 17.60 10 -4 3 324.87 17.40 -10 -4 -3 322.47 17.60 -10 -4 -3 335.57 17.00 10 -4 3 336.37 17.50 -10 -4 -3 286.87 17.10 -10 4 -4 112.29 6.60 -10 4 -4 95.69 6.50 -10 4 -4 111.99 7.20 -10 4 -4 108.79 6.20 -10 -4 -4 113.99 6.70 -10 -4 -4 105.29 6.70 10 -4 4 111.09 6.70 10 -4 4 97.79 6.40 -10 -4 -4 102.69 6.30 10 -4 4 100.79 6.50 -10 -4 -4 103.29 6.00 10 -4 4 103.19 6.80 -10 -4 -4 111.49 6.20 -10 4 -5 246.98 12.80 -10 4 -5 249.58 13.30 -10 4 -5 228.58 13.70 -10 4 -5 232.58 13.10 -10 -4 -5 219.88 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159.38 9.10 -10 4 -10 159.28 9.40 -10 4 -10 175.88 10.80 -10 4 -10 185.58 10.10 10 4 10 176.58 9.30 -10 -4 -10 183.18 10.00 10 -4 10 165.18 9.90 -10 -4 -10 180.28 9.90 -10 -4 -10 188.48 9.80 -10 -4 -10 181.48 9.50 10 -4 10 180.38 10.20 10 -4 10 184.68 9.90 10 4 11 0.90 0.40 -10 4 -11 1.10 0.90 -10 -4 -11 -0.30 0.80 -10 -4 -11 0.40 0.70 10 -4 11 0.70 0.90 -10 -4 -11 0.60 0.70 10 -4 11 0.10 0.70 10 -4 11 0.50 0.70 10 4 12 5.20 0.80 -10 4 -12 4.20 1.00 10 4 12 4.30 0.60 -10 -4 -12 3.70 0.90 10 -4 12 4.80 0.90 -10 -4 -12 4.20 0.80 10 -4 12 4.90 1.00 -10 4 -13 4.70 0.80 -10 -4 -13 5.80 0.80 -10 -4 -13 4.10 0.70 10 -4 13 7.50 1.00 10 5 -12 1.30 0.50 10 5 -12 0.40 0.50 10 5 -12 0.20 0.80 10 -5 -12 0.00 0.30 10 5 -11 0.30 0.70 10 5 -11 0.50 0.60 -10 5 11 -0.10 0.40 -10 5 11 0.60 0.60 10 5 -11 0.50 0.60 10 5 -11 0.60 0.50 10 -5 -11 0.00 0.40 10 -5 -11 0.10 0.50 10 -5 -11 -0.10 0.30 -10 -5 11 0.30 0.70 10 5 -10 1.40 0.80 -10 5 10 0.40 0.50 10 5 -10 1.20 0.80 10 5 -10 0.10 0.80 10 5 -10 0.60 0.60 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182.08 10.50 10 -5 -6 170.68 9.60 -10 -5 6 166.88 10.30 -10 -5 6 174.38 10.30 10 -5 -6 178.08 9.50 10 -5 -6 165.88 9.10 -10 -5 6 177.88 10.10 10 5 -5 588.74 32.20 10 5 -5 627.44 31.50 10 5 -5 625.74 32.20 10 5 -5 541.65 32.50 10 -5 -5 629.34 32.20 -10 -5 5 577.74 34.10 -10 -5 5 686.23 33.40 -10 -5 5 643.94 33.50 10 -5 -5 619.64 32.10 -10 -5 5 630.24 34.40 10 5 -4 657.53 35.30 10 5 -4 711.23 34.70 10 5 -4 624.74 35.20 -10 -5 4 671.73 36.00 10 -5 -4 668.23 35.30 -10 -5 4 686.33 35.90 10 -5 -4 678.43 35.00 10 -5 -4 674.83 35.00 10 -5 -4 710.73 35.40 -10 -5 4 687.73 35.00 10 -5 -4 650.63 34.90 -10 -5 4 709.43 36.00 -10 -5 4 707.33 36.30 10 5 -3 91.69 5.80 10 5 -3 95.79 5.90 10 5 -3 93.79 5.20 -10 -5 3 93.89 6.60 10 -5 -3 98.19 5.70 10 -5 -3 98.69 6.00 10 -5 -3 87.79 5.60 -10 -5 3 100.89 6.90 10 -5 -3 106.99 6.10 10 -5 -3 100.79 5.80 -10 -5 3 96.89 6.50 -10 -5 3 98.99 5.70 -10 -5 3 98.79 6.60 -10 5 2 109.59 6.60 -10 5 2 108.89 6.00 10 5 -2 102.59 6.20 -10 -5 2 106.49 7.00 10 -5 -2 99.99 6.20 10 -5 -2 109.09 6.30 -10 -5 2 105.29 7.00 -10 -5 2 94.59 6.70 -10 -5 2 101.89 7.20 -10 -5 2 106.39 6.10 10 -5 -2 109.19 6.50 10 5 -1 40.40 2.90 -10 5 1 40.60 3.30 -10 5 1 42.00 2.80 -10 -5 1 40.50 3.60 10 -5 -1 44.40 3.40 10 -5 -1 39.20 3.00 -10 -5 1 42.70 2.90 10 -5 -1 40.40 3.00 10 -5 -1 43.30 3.20 -10 -5 1 43.20 4.00 -10 -5 1 38.50 3.70 -10 5 0 69.59 4.30 10 5 0 69.39 4.30 -10 5 0 72.29 4.80 10 -5 0 69.89 4.80 10 -5 0 64.99 4.60 -10 -5 0 69.49 5.20 -10 -5 0 70.69 4.30 -10 -5 0 73.39 5.20 10 -5 0 71.39 4.60 -10 -5 0 65.39 5.30 10 -5 0 70.19 4.50 -10 5 -1 43.20 3.30 -10 5 -1 40.00 3.00 10 5 1 36.20 2.70 -10 5 -1 38.80 2.80 -10 -5 -1 42.00 3.60 -10 -5 -1 41.70 3.60 10 -5 1 37.90 3.00 10 -5 1 38.40 3.20 10 -5 1 40.30 3.10 -10 -5 -1 42.00 3.70 10 -5 1 38.40 3.30 -10 -5 -1 40.20 2.80 -10 5 -2 214.98 11.00 10 5 2 192.48 10.90 -10 5 -2 201.28 11.30 -10 5 -2 213.18 11.40 10 -5 2 182.98 11.20 -10 -5 -2 199.88 11.70 10 -5 2 211.08 11.60 10 -5 2 196.18 11.20 -10 -5 -2 209.78 11.00 -10 -5 -2 202.28 11.70 -10 -5 -2 186.58 10.70 10 -5 2 201.18 11.20 -10 -5 -2 212.88 11.70 -10 5 -3 18.20 1.70 -10 5 -3 14.60 1.80 -10 5 -3 16.00 1.90 -10 -5 -3 16.40 1.60 -10 -5 -3 14.70 2.10 10 -5 3 18.20 2.00 10 -5 3 15.00 2.00 10 -5 3 16.40 2.20 -10 -5 -3 13.60 2.20 10 -5 3 15.70 2.10 -10 -5 -3 18.00 1.80 -10 5 -4 6.00 1.60 10 5 4 8.20 1.00 -10 5 -4 6.40 1.20 -10 -5 -4 7.40 1.50 10 -5 4 5.40 1.50 -10 -5 -4 7.20 1.50 10 -5 4 7.70 1.60 10 -5 4 3.50 1.30 -10 -5 -4 5.70 1.60 -10 -5 -4 6.90 1.10 10 5 5 789.92 40.00 -10 5 -5 822.62 40.20 -10 5 -5 764.92 39.60 -10 -5 -5 774.92 39.60 10 -5 5 785.72 39.90 -10 -5 -5 780.62 40.00 -10 -5 -5 765.22 39.50 10 -5 5 771.72 40.20 10 -5 5 701.23 39.90 -10 -5 -5 739.63 39.90 -10 5 -6 150.88 8.80 -10 5 -6 145.69 8.30 10 5 6 150.78 8.00 10 -5 6 147.19 9.20 -10 -5 -6 147.49 8.60 10 -5 6 149.49 8.70 -10 -5 -6 156.88 8.40 10 -5 6 150.08 9.00 -10 -5 -6 148.49 8.40 -10 -5 -6 153.58 8.30 10 5 7 283.97 15.90 -10 5 -7 309.77 16.30 10 5 7 320.47 16.00 -10 5 -7 327.97 16.80 -10 -5 -7 342.17 16.40 -10 -5 -7 262.77 16.30 10 -5 7 319.27 16.60 -10 -5 -7 319.17 16.50 10 -5 7 316.57 16.90 -10 -5 -7 321.97 16.30 10 -5 7 274.77 16.50 10 5 8 45.20 2.50 -10 5 -8 46.80 3.30 -10 5 -8 44.00 2.80 10 -5 8 41.70 3.20 -10 -5 -8 40.40 2.90 10 -5 8 33.90 2.90 -10 -5 -8 46.00 3.00 -10 -5 -8 46.40 3.00 10 -5 8 46.50 3.50 -10 -5 -8 35.70 2.90 10 5 9 13.70 1.00 -10 5 -9 14.80 1.30 -10 5 -9 18.10 1.90 10 -5 9 11.30 1.40 10 -5 9 15.40 2.50 -10 -5 -9 13.40 1.40 -10 -5 -9 12.30 1.70 -10 -5 -9 14.70 1.50 10 -5 9 13.70 1.60 10 5 10 -0.30 0.30 -10 5 -10 0.40 0.80 -10 -5 -10 -0.60 0.90 -10 -5 -10 0.30 0.50 -10 -5 -10 -0.10 0.60 10 -5 10 0.30 0.60 -10 -5 -10 -0.50 0.60 10 -5 10 -0.40 0.80 -10 5 -11 22.00 1.90 -10 -5 -11 18.30 1.70 -10 -5 -11 19.00 1.80 10 -5 11 17.50 1.90 10 6 -10 86.59 4.70 10 6 -10 80.49 4.70 10 -6 -10 84.19 4.50 10 6 -9 263.37 14.10 10 6 -9 278.67 14.00 10 6 -9 261.07 14.20 10 6 -9 276.87 14.20 -10 -6 9 261.77 14.00 10 -6 -9 262.47 13.80 -10 -6 9 268.07 14.30 10 6 -8 8.70 1.60 10 6 -8 11.00 1.60 10 6 -8 10.10 1.30 10 6 -8 10.70 1.40 -10 6 8 11.00 1.10 10 -6 -8 8.10 0.90 10 -6 -8 12.50 1.80 -10 -6 8 7.20 1.40 10 -6 -8 9.00 1.00 -10 -6 8 5.60 1.10 -10 -6 8 6.40 1.30 10 6 -7 112.99 6.30 10 6 -7 100.89 6.10 10 6 -7 106.29 6.30 -10 6 7 120.59 6.00 10 6 -7 106.09 6.40 10 -6 -7 102.69 5.80 10 -6 -7 89.09 5.80 -10 -6 7 122.19 7.40 -10 -6 7 109.89 6.50 -10 -6 7 103.89 6.20 10 6 -6 54.69 3.80 10 6 -6 54.49 3.50 10 6 -6 57.59 3.80 10 6 -6 54.99 3.60 -10 -6 6 54.59 3.80 -10 -6 6 52.59 4.10 10 -6 -6 51.99 3.30 -10 -6 6 50.19 3.90 10 -6 -6 48.40 3.30 -10 6 5 263.17 14.40 10 6 -5 286.27 15.00 10 6 -5 279.67 14.80 10 6 -5 271.57 14.80 10 6 -5 272.97 15.00 10 -6 -5 287.97 14.50 10 -6 -5 271.57 14.60 -10 -6 5 276.17 15.30 -10 -6 5 275.97 14.40 -10 -6 5 291.17 15.60 -10 -6 5 286.67 15.20 10 -6 -5 258.17 14.60 10 6 -4 167.08 9.60 10 6 -4 164.88 9.70 10 6 -4 181.08 9.80 -10 -6 4 172.18 10.10 10 -6 -4 156.98 9.40 10 -6 -4 175.08 9.50 -10 -6 4 169.78 10.10 -10 -6 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1.30 15 -2 4 4.60 1.10 15 -2 4 6.30 1.40 -15 2 -5 165.58 9.50 -15 2 -5 165.68 8.80 -15 2 -5 152.48 9.10 -15 2 -5 150.48 9.40 -15 2 -5 162.88 9.20 -15 -2 -5 141.79 8.90 -15 -2 -5 155.78 9.00 15 -2 5 151.78 8.90 15 -2 5 152.88 8.90 -15 -2 -5 151.78 9.10 -15 -2 -5 152.48 9.20 -15 -2 -5 153.58 8.80 15 -2 5 158.88 8.90 -15 2 -6 1.00 1.30 -15 2 -6 2.90 1.10 -15 2 -6 0.80 1.00 -15 2 -6 1.40 0.80 -15 2 -6 2.30 1.10 -15 -2 -6 0.90 0.90 -15 -2 -6 1.30 1.00 15 -2 6 1.80 0.90 -15 -2 -6 1.70 0.90 15 -2 6 1.20 1.40 15 -2 6 2.40 0.90 -15 -2 -6 2.60 1.10 -15 -2 -6 2.30 1.00 -15 2 -7 102.09 6.30 -15 2 -7 98.79 6.10 -15 2 -7 101.99 6.50 -15 2 -7 98.09 6.10 -15 -2 -7 95.09 6.00 -15 -2 -7 95.79 6.00 15 -2 7 100.29 6.00 -15 -2 -7 91.79 6.10 15 -2 7 99.09 6.00 15 -2 7 92.89 5.90 -15 -2 -7 99.29 6.00 -15 2 -8 369.46 19.50 -15 2 -8 377.56 19.80 -15 2 -8 377.16 19.60 -15 2 -8 366.06 19.70 -15 -2 -8 408.36 20.40 -15 -2 -8 362.56 19.40 15 -2 8 356.56 19.40 -15 -2 -8 345.57 19.50 15 -2 8 340.77 19.30 -15 -2 -8 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19 -4 2 24.20 1.60 -19 4 -3 -0.50 0.40 -19 4 -3 0.00 0.50 20 0 -7 -0.10 0.40 -20 0 7 -0.50 0.50 20 0 -7 -0.30 0.50 -20 0 7 0.00 0.50 -20 0 7 -0.10 0.60 -20 0 7 -0.20 0.60 20 0 -6 52.49 3.10 -20 0 6 44.50 3.30 20 0 -6 53.79 3.00 -20 0 6 49.10 3.40 -20 0 6 58.39 3.70 -20 0 6 52.69 3.60 -20 0 5 0.30 0.80 20 0 -5 0.10 0.40 -20 0 5 0.30 0.80 20 0 -5 -0.20 0.40 -20 0 5 -1.00 0.70 -20 0 5 -0.50 0.60 -20 0 4 2.10 0.90 -20 0 4 3.00 1.00 -20 0 4 4.10 1.20 -20 0 4 1.70 0.80 20 0 -4 2.10 0.70 20 0 -4 3.50 0.70 -20 0 3 0.10 0.70 -20 0 3 0.20 0.90 20 0 -3 0.50 0.50 -20 0 3 0.50 0.70 -20 0 3 -0.60 0.70 20 0 -3 0.30 0.50 -20 0 3 0.00 0.60 -20 0 2 11.80 1.30 20 0 -2 14.70 1.30 -20 0 2 13.30 1.70 -20 0 2 14.40 1.60 -20 0 2 13.40 1.90 20 0 -2 13.00 1.30 -20 0 2 12.90 1.70 -20 0 1 0.00 0.70 -20 0 1 -0.60 0.80 -20 0 1 0.10 0.80 20 0 -1 0.10 0.50 -20 0 1 0.40 0.60 -20 0 1 -0.10 0.80 20 0 -1 0.20 0.60 -20 0 0 15.10 1.80 -20 0 0 13.50 1.60 -20 0 0 15.00 1.40 -20 0 0 15.70 1.90 20 0 0 14.80 1.40 20 0 0 17.80 1.40 -20 0 0 16.60 1.80 -20 0 -1 0.10 0.80 -20 0 -1 -0.40 0.80 -20 0 -1 -0.10 0.80 -20 0 -1 -0.40 0.60 -20 0 -2 57.79 3.80 -20 0 -2 62.79 3.90 -20 0 -2 47.70 3.60 -20 0 -2 53.19 3.50 -20 0 -3 0.20 0.60 -20 0 -3 0.10 0.70 -20 0 -3 -0.60 0.70 -20 0 -3 0.60 0.80 -20 0 -4 0.50 0.60 -20 0 -4 0.30 0.70 -20 0 -4 -0.20 0.70 -20 0 -5 0.20 0.60 -20 0 -5 0.20 0.60 -20 0 -5 -0.90 0.50 -20 0 -6 16.50 1.30 -20 0 -6 14.80 1.30 20 1 -7 27.80 1.80 -20 1 7 22.30 1.70 -20 -1 7 19.90 1.70 -20 -1 7 23.50 1.80 -20 -1 7 20.80 1.80 20 1 -6 56.69 3.00 -20 1 6 45.20 3.20 20 1 -6 55.49 3.20 -20 1 6 45.20 3.50 20 -1 -6 56.49 3.20 -20 -1 6 55.99 3.70 -20 -1 6 41.30 3.40 -20 -1 6 61.49 3.60 20 -1 -6 54.79 3.10 -20 1 5 0.60 0.80 -20 1 5 1.60 0.80 20 1 -5 0.80 0.50 -20 1 5 0.80 0.80 20 1 -5 0.80 0.60 -20 1 5 1.40 0.80 20 -1 -5 0.60 0.50 -20 -1 5 1.40 0.90 -20 -1 5 0.80 0.80 -20 -1 5 0.10 0.70 20 -1 -5 0.80 0.70 -20 -1 5 0.80 0.80 -20 1 4 7.70 1.30 20 1 -4 7.50 0.90 -20 1 4 10.40 1.50 -20 1 4 8.50 1.30 -20 1 4 9.50 1.50 -20 -1 4 9.30 1.60 -20 -1 4 7.30 1.30 20 -1 -4 7.60 1.00 -20 -1 4 6.50 1.20 20 -1 -4 9.80 1.30 -20 -1 4 8.50 1.40 -20 1 3 5.20 1.00 -20 1 3 4.20 1.10 -20 1 3 4.10 1.00 -20 1 3 3.80 1.00 -20 1 3 5.80 1.20 20 1 -3 2.60 0.70 -20 -1 3 4.50 1.10 -20 -1 3 5.90 1.20 20 -1 -3 4.00 0.80 -20 -1 3 3.00 1.10 20 -1 -3 4.30 0.80 20 -1 -3 2.90 0.70 -20 -1 3 2.80 1.00 -20 1 2 0.60 0.80 20 1 -2 0.20 0.50 -20 1 2 1.40 0.80 -20 1 2 2.00 0.90 -20 1 2 1.60 0.90 -20 1 2 1.10 0.70 20 -1 -2 0.90 0.70 -20 -1 2 1.00 0.90 20 -1 -2 1.40 0.60 -20 -1 2 0.60 0.90 -20 -1 2 1.10 1.00 -20 -1 2 1.30 0.80 20 -1 -2 1.50 0.70 -20 1 1 9.70 1.60 -20 1 1 11.30 1.30 -20 1 1 11.70 1.60 -20 1 1 10.10 1.30 20 -1 -1 11.30 1.20 -20 -1 1 11.50 1.40 -20 -1 1 11.10 1.70 -20 -1 1 11.20 1.50 -20 -1 1 10.30 1.70 20 -1 -1 9.40 1.30 -20 1 0 26.30 2.10 -20 1 0 24.60 2.30 -20 1 0 26.40 2.30 -20 1 0 23.80 2.30 -20 -1 0 26.10 2.40 -20 -1 0 25.80 2.40 -20 -1 0 24.90 2.20 -20 -1 0 20.90 1.80 20 -1 0 24.90 1.90 -20 1 -1 20.30 2.00 -20 1 -1 23.10 2.10 -20 1 -1 21.40 2.10 -20 1 -1 24.20 2.00 -20 -1 -1 18.10 1.90 -20 -1 -1 20.30 1.80 -20 -1 -1 16.90 2.00 20 -1 1 21.20 1.70 -20 -1 -1 23.50 2.10 -20 1 -2 -0.10 0.70 -20 1 -2 0.10 0.70 -20 1 -2 0.20 0.70 -20 1 -2 -0.50 0.70 -20 -1 -2 0.70 0.80 20 -1 2 0.20 0.50 20 -1 2 -0.40 0.40 -20 -1 -2 -0.20 0.60 -20 -1 -2 0.00 0.70 -20 -1 -2 0.30 0.70 -20 1 -3 3.80 1.00 -20 1 -3 3.20 0.90 -20 1 -3 2.00 0.90 -20 1 -3 4.50 1.00 20 -1 3 7.10 1.10 -20 -1 -3 3.00 0.90 -20 -1 -3 4.10 0.90 -20 -1 -3 5.20 0.90 20 -1 3 4.60 0.80 -20 1 -4 14.10 1.60 -20 1 -4 15.10 1.40 -20 1 -4 11.70 1.30 -20 1 -4 17.90 1.70 -20 -1 -4 10.20 1.20 -20 -1 -4 11.90 1.50 -20 -1 -4 15.30 1.50 -20 1 -5 6.20 1.10 -20 1 -5 4.50 0.80 -20 1 -5 3.80 0.80 -20 1 -5 4.90 0.90 -20 -1 -5 3.10 0.70 -20 -1 -5 4.20 0.70 -20 1 -6 3.80 0.70 -20 1 -6 6.60 1.00 -20 -1 -6 5.40 0.70 -20 2 6 87.99 5.40 -20 2 6 99.09 5.40 -20 -2 6 94.39 5.60 -20 -2 6 93.89 5.50 20 -2 -6 113.09 5.20 -20 -2 6 92.69 5.60 -20 2 5 162.88 9.80 -20 -2 5 199.18 10.10 -20 -2 5 168.68 10.20 -20 -2 5 201.68 10.10 -20 2 4 321.07 17.90 -20 2 4 313.77 18.00 20 -2 -4 370.36 17.70 -20 -2 4 316.47 17.90 20 -2 -4 354.66 17.60 20 -2 -4 352.36 17.90 -20 -2 4 354.86 18.10 -20 2 3 146.29 8.80 -20 2 3 146.69 8.80 -20 2 3 142.59 8.70 20 -2 -3 187.48 8.70 -20 -2 3 174.48 9.10 -20 -2 3 182.88 9.00 -20 -2 3 146.29 8.80 -20 2 2 32.10 2.20 -20 2 2 29.50 2.30 -20 2 2 29.70 2.30 -20 2 2 25.90 2.30 -20 -2 2 27.20 2.20 20 -2 -2 30.60 2.00 -20 -2 2 20.80 2.30 -20 -2 2 25.20 2.40 20 -2 -2 27.90 1.90 -20 2 1 10.10 1.40 -20 2 1 9.70 1.40 -20 2 1 8.50 1.30 -20 2 1 9.40 1.40 -20 -2 1 9.90 1.50 -20 -2 1 12.50 1.60 20 -2 -1 10.30 1.10 20 -2 -1 9.10 1.30 -20 -2 1 6.20 1.30 20 -2 -1 11.00 1.30 -20 2 0 49.10 3.60 -20 2 0 59.29 3.70 -20 2 0 56.89 3.50 -20 -2 0 59.69 3.70 -20 -2 0 48.90 3.60 -20 -2 0 55.49 3.70 -20 2 -1 14.80 1.60 -20 2 -1 15.30 1.70 -20 2 -1 17.60 1.70 -20 2 -1 16.90 1.60 -20 -2 -1 16.60 2.00 -20 -2 -1 18.60 1.80 20 -2 1 18.10 1.50 -20 2 -2 1.80 0.80 -20 2 -2 2.50 0.80 -20 2 -2 2.30 0.80 -20 2 -2 2.90 0.80 20 -2 2 2.40 0.60 -20 -2 -2 3.00 0.80 -20 -2 -2 1.90 0.70 -20 -2 -2 1.50 0.80 20 -2 2 2.60 0.70 -20 2 -3 160.48 8.90 -20 2 -3 165.68 9.00 -20 2 -3 162.78 8.90 20 -2 3 186.48 8.80 20 -2 3 177.08 8.90 -20 -2 -3 159.68 8.80 -20 -2 -3 139.79 8.80 -20 2 -4 172.68 9.10 -20 2 -4 157.98 9.00 20 -2 4 169.98 9.10 -20 2 -5 42.80 2.60 -20 2 -5 38.40 2.50 -20 3 4 87.79 5.10 -20 -3 4 89.19 5.20 -20 -3 4 93.19 5.20 -20 -3 3 13.90 1.40 -20 -3 3 16.40 1.70 20 -3 -3 16.50 1.20 20 -3 -3 15.10 1.20 -20 3 2 192.28 11.90 -20 -3 2 188.58 10.60 -20 -3 2 191.28 10.80 20 -3 -2 224.18 10.70 -20 3 1 687.83 33.50 -20 3 1 620.44 33.30 -20 3 1 737.13 33.60 20 -3 -1 659.63 33.40 -20 -3 1 669.83 33.30 20 -3 -1 537.75 33.10 -20 -3 1 569.64 33.30 20 -3 -1 713.13 33.20 -20 3 0 26.80 2.10 -20 3 0 27.60 2.10 -20 3 0 28.90 2.20 -20 3 0 29.70 2.10 20 -3 0 29.50 2.20 20 -3 0 35.70 2.30 20 -3 0 34.60 2.10 -20 -3 0 29.60 2.30 -20 -3 0 29.50 2.20 -20 3 -1 148.99 8.20 -20 3 -1 153.28 8.20 -20 3 -2 359.56 18.40 20 -3 2 351.16 18.30 -20 3 -3 1.10 0.60 -20 3 -3 1.80 0.50 -20 3 -3 0.70 0.50 20 -3 3 2.10 0.50 -21 0 5 -0.10 0.60 -21 0 5 -0.40 0.50 21 0 -5 -0.40 0.30 -21 0 5 0.00 0.40 -21 0 5 0.10 0.60 -21 0 4 0.20 0.70 21 0 -4 -0.20 0.40 -21 0 4 0.90 0.70 -21 0 4 0.20 0.70 -21 0 4 0.50 0.50 -21 0 3 0.20 0.80 -21 0 3 1.00 0.70 -21 0 3 -0.30 0.60 21 0 -3 -1.00 0.40 -21 0 3 -0.10 0.50 -21 0 2 49.80 3.40 -21 0 2 57.89 3.60 -21 0 2 46.90 3.30 -21 0 1 -0.20 0.70 -21 0 1 -0.60 0.70 -21 0 1 0.60 0.70 -21 0 1 0.20 0.50 -21 0 0 179.28 9.30 -21 0 0 170.68 9.70 -21 0 -1 -0.60 0.60 -21 0 -1 0.10 0.60 -21 0 -1 0.20 0.70 -21 0 -1 0.10 0.50 -21 0 -2 6.30 0.90 -21 0 -2 7.10 1.10 -21 0 -2 5.50 1.30 -21 0 -2 4.20 0.70 -21 0 -3 -0.40 0.50 -21 0 -3 0.50 0.60 -21 0 -3 0.10 0.50 -21 0 -4 8.00 0.90 -21 0 -4 6.10 1.00 -21 1 5 0.00 0.50 -21 1 5 0.10 0.50 -21 1 5 0.20 0.40 -21 -1 5 -0.20 0.60 -21 -1 5 -0.10 0.60 -21 -1 5 0.10 0.40 -21 -1 5 0.00 0.50 21 -1 -5 -0.10 0.40 -21 1 4 4.70 0.80 -21 1 4 6.60 1.10 -21 -1 4 4.90 1.10 -21 -1 4 3.90 0.80 21 -1 -4 6.00 0.70 -21 1 3 5.90 1.00 -21 1 3 4.00 0.70 -21 1 3 7.00 1.00 -21 1 3 5.60 1.10 -21 -1 3 4.80 0.80 -21 1 2 131.29 7.80 -21 1 2 133.59 7.50 -21 1 2 129.29 7.80 -21 1 2 161.98 8.00 -21 1 1 47.90 3.20 -21 1 1 40.90 2.90 -21 1 1 58.59 3.60 -21 1 1 54.59 3.30 -21 -1 1 48.20 3.30 -21 -1 1 49.40 3.40 -21 -1 1 44.60 3.30 -21 1 0 2.40 0.80 -21 1 0 1.30 0.70 -21 1 0 1.30 0.80 -21 1 0 1.50 0.60 -21 -1 0 1.70 0.80 -21 -1 0 1.20 0.80 21 -1 0 2.00 0.60 -21 -1 0 0.80 0.70 -21 1 -1 0.00 0.60 -21 1 -1 0.20 0.70 -21 1 -1 0.40 0.70 -21 1 -1 0.30 0.50 -21 -1 -1 0.50 0.80 -21 -1 -1 1.90 0.70 -21 -1 -1 0.40 0.50 -21 1 -2 128.19 7.30 -21 1 -2 135.99 7.60 -21 1 -2 136.89 7.50 -21 1 -2 140.29 7.40 -21 1 -3 28.50 2.00 -21 1 -3 25.00 1.90 -21 1 -3 29.80 2.00 -21 -1 -3 26.30 1.90 -21 2 3 79.19 4.30 -21 -2 3 59.99 4.10 -21 -2 3 79.99 4.40 -21 2 2 19.60 1.60 -21 2 2 25.00 2.00 -21 -2 2 19.40 1.70 -21 2 1 118.59 5.70 -21 2 1 90.89 5.60 -21 2 1 95.29 5.70 -21 2 1 94.49 5.60 -21 -2 1 104.29 5.80 -21 -2 1 108.89 5.80 -21 2 0 49.70 3.30 -21 2 0 57.69 3.40 -21 2 0 51.89 3.30 -21 2 0 62.59 3.30 -21 2 -1 46.80 2.80 -21 2 -1 45.30 2.90 -21 2 -1 41.30 2.80 21 -2 1 49.10 2.70 -21 2 -2 102.89 5.20 -21 2 -2 85.09 5.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 15186 _shelx_res_file ; TITL 21110z_a.res in P2(1)/c 21110z_a.res created by SHELXL-2018/3 at 14:59:53 on 23-Jan-2023 REM Old TITL 21110z in P2(1)/c REM SHELXT solution in P2(1)/c REM R1 0.122, Rweak 0.003, Alpha 0.029, Orientation as input REM Formula found by SHELXT: C25 CELL 1.54178 17.4565 7.2014 13.9356 90.000 92.593 90.000 ZERR 2.000 0.0015 0.0006 0.0012 0.000 0.002 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z SFAC C H UNIT 100 88 TEMP -173.150 SIZE 0.10 0.25 0.50 L.S. 10 BOND $H LIST 4 FMAP 2 PLAN 20 ACTA CONF WGHT 0.044500 0.717500 FVAR 1.21582 C1 1 0.540484 0.200938 0.416905 11.00000 0.02050 0.01922 = 0.01500 0.00202 0.00225 0.00128 C2 1 0.581345 0.352666 0.456651 11.00000 0.01889 0.01931 = 0.01608 0.00177 0.00098 0.00076 C3 1 0.542028 0.499719 0.502068 11.00000 0.01875 0.01825 = 0.01568 0.00191 0.00187 -0.00035 C4 1 0.582181 0.646794 0.551616 11.00000 0.01848 0.01929 = 0.01630 0.00170 0.00246 -0.00114 C5 1 0.541960 0.798517 0.587190 11.00000 0.02054 0.01918 = 0.01463 0.00164 0.00178 -0.00145 C7 1 0.542034 1.095956 0.671823 11.00000 0.02932 0.01931 = 0.01901 -0.00209 0.00079 -0.00301 AFIX 43 H7 2 0.569397 1.196553 0.701165 11.00000 -1.20000 AFIX 0 C6 1 0.580951 0.952080 0.633857 11.00000 0.02247 0.02184 = 0.01859 0.00002 0.00182 -0.00295 AFIX 43 H6 2 0.635417 0.952965 0.638264 11.00000 -1.20000 AFIX 0 C9 1 0.421271 0.952784 0.625882 11.00000 0.02241 0.02160 = 0.01845 0.00068 0.00188 0.00322 AFIX 43 H9 2 0.366824 0.954238 0.624903 11.00000 -1.20000 AFIX 0 C8 1 0.460851 1.096374 0.667779 11.00000 0.02962 0.01931 = 0.01945 -0.00113 0.00312 0.00383 AFIX 43 H8 2 0.433919 1.197268 0.694413 11.00000 -1.20000 AFIX 0 C10 1 0.666048 0.638037 0.580433 11.00000 0.01886 0.01861 = 0.02127 -0.00394 0.00191 -0.00017 C11 1 0.721868 0.737732 0.533536 11.00000 0.02250 0.02077 = 0.02585 -0.00079 0.00326 -0.00106 AFIX 43 H11 2 0.708001 0.806390 0.477187 11.00000 -1.20000 AFIX 0 C12 1 0.797621 0.737047 0.568866 11.00000 0.02087 0.02619 = 0.03704 -0.00387 0.00618 -0.00382 AFIX 43 H12 2 0.835310 0.804172 0.536078 11.00000 -1.20000 AFIX 0 C13 1 0.818623 0.638954 0.651750 11.00000 0.01831 0.03524 = 0.03722 -0.00612 -0.00317 0.00073 AFIX 43 H13 2 0.870494 0.638778 0.675522 11.00000 -1.20000 AFIX 0 C14 1 0.763590 0.541368 0.699601 11.00000 0.02535 0.03544 = 0.02604 0.00019 -0.00286 0.00418 AFIX 43 H14 2 0.777466 0.474931 0.756664 11.00000 -1.20000 AFIX 0 C15 1 0.687996 0.541108 0.663747 11.00000 0.02187 0.02674 = 0.02250 -0.00060 0.00258 -0.00006 AFIX 43 H15 2 0.650539 0.473505 0.696692 11.00000 -1.20000 AFIX 0 C16 1 0.664971 0.360657 0.436962 11.00000 0.01864 0.01848 = 0.02085 -0.00407 0.00241 -0.00002 C17 1 0.687300 0.461519 0.357608 11.00000 0.02286 0.02479 = 0.02202 -0.00004 0.00120 0.00082 AFIX 43 H17 2 0.650177 0.532606 0.321745 11.00000 -1.20000 AFIX 0 C18 1 0.762533 0.460258 0.329935 11.00000 0.02670 0.02873 = 0.02514 0.00054 0.00780 -0.00281 AFIX 43 H18 2 0.776043 0.530974 0.275692 11.00000 -1.20000 AFIX 0 C19 1 0.818859 0.357042 0.380252 11.00000 0.02073 0.02401 = 0.03355 -0.00605 0.00688 -0.00170 C20 1 0.796322 0.257271 0.460232 11.00000 0.02019 0.02397 = 0.03464 -0.00026 0.00045 0.00263 AFIX 43 H20 2 0.833480 0.187196 0.496597 11.00000 -1.20000 AFIX 0 C21 1 0.720851 0.258204 0.487778 11.00000 0.02185 0.02109 = 0.02604 0.00153 0.00249 0.00025 AFIX 43 H21 2 0.707199 0.187879 0.542092 11.00000 -1.20000 AFIX 0 C22 1 0.902520 0.363597 0.350779 11.00000 0.02219 0.03220 = 0.05117 -0.00450 0.01191 -0.00157 C23 1 0.907234 0.356502 0.240758 11.00000 0.03560 0.04950 = 0.05817 -0.00990 0.02697 -0.00596 AFIX 137 H23A 2 0.961087 0.361075 0.223849 11.00000 -1.50000 H23B 2 0.879717 0.462884 0.212042 11.00000 -1.50000 H23C 2 0.883899 0.241031 0.216370 11.00000 -1.50000 AFIX 0 C24 1 0.949516 0.202172 0.394353 11.00000 0.02276 0.04535 = 0.08529 0.00579 0.01675 0.00665 AFIX 137 H24A 2 1.001657 0.206593 0.371175 11.00000 -1.50000 H24B 2 0.925342 0.084236 0.375207 11.00000 -1.50000 H24C 2 0.951606 0.212450 0.464546 11.00000 -1.50000 AFIX 0 C25 1 0.937050 0.548866 0.386351 11.00000 0.02351 0.04162 = 0.06347 -0.00668 0.01084 -0.00669 AFIX 137 H25A 2 0.990449 0.557346 0.367906 11.00000 -1.50000 H25B 2 0.935184 0.555463 0.456447 11.00000 -1.50000 H25C 2 0.907536 0.651923 0.357381 11.00000 -1.50000 AFIX 0 HKLF 4 REM 21110z_a.res in P2(1)/c REM wR2 = 0.1046, GooF = S = 1.076, Restrained GooF = 1.076 for all data REM R1 = 0.0409 for 3431 Fo > 4sig(Fo) and 0.0417 for all 3549 data REM 229 parameters refined using 0 restraints END WGHT 0.0444 0.7191 REM Highest difference peak 0.228, deepest hole -0.209, 1-sigma level 0.037 Q1 1 0.5010 0.7867 0.5916 11.00000 0.05 0.23 Q2 1 0.9213 0.2838 0.3864 11.00000 0.05 0.21 Q3 1 0.5585 0.5559 0.5426 11.00000 0.05 0.21 Q4 1 0.5564 0.3040 0.4143 11.00000 0.05 0.20 Q5 1 0.9293 0.0786 0.3988 11.00000 0.05 0.19 Q6 1 0.6267 0.6402 0.5604 11.00000 0.05 0.18 Q7 1 0.5585 0.4433 0.4659 11.00000 0.05 0.18 Q8 1 0.6891 0.3050 0.4643 11.00000 0.05 0.18 Q9 1 0.5594 0.8547 0.6266 11.00000 0.05 0.18 Q10 1 0.6904 0.6959 0.5608 11.00000 0.05 0.18 Q11 1 0.8600 0.3517 0.3621 11.00000 0.05 0.18 Q12 1 0.4426 0.9842 0.6778 11.00000 0.05 0.17 Q13 1 0.5002 1.0795 0.6792 11.00000 0.05 0.17 Q14 1 0.5626 0.7315 0.5672 11.00000 0.05 0.16 Q15 1 0.5577 0.1436 0.3878 11.00000 0.05 0.16 Q16 1 0.6220 0.3571 0.4477 11.00000 0.05 0.16 Q17 1 0.7937 0.4538 0.3736 11.00000 0.05 0.14 Q18 1 0.7787 0.6362 0.6832 11.00000 0.05 0.14 Q19 1 0.9190 0.2570 0.2773 11.00000 0.05 0.14 Q20 1 0.8152 0.3531 0.4363 11.00000 0.05 0.14 ; _shelx_res_checksum 39938 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C C1 0.54048(6) 0.20094(15) 0.41691(7) 0.0182(2) Uani d 1 . . C C2 0.58134(6) 0.35267(14) 0.45665(7) 0.0181(2) Uani d 1 . . C C3 0.54203(6) 0.49972(14) 0.50207(7) 0.0175(2) Uani d 1 . . C C4 0.58218(6) 0.64679(14) 0.55162(7) 0.0180(2) Uani d 1 . . C C5 0.54196(6) 0.79852(15) 0.58719(7) 0.0181(2) Uani d 1 . . C C7 0.54203(6) 1.09596(15) 0.67182(8) 0.0226(2) Uani d 1 . . H H7 0.569397 1.196553 0.701165 0.027 Uiso calc 1 . . C C6 0.58095(6) 0.95208(15) 0.63386(7) 0.0209(2) Uani d 1 . . H H6 0.635417 0.952965 0.638264 0.025 Uiso calc 1 . . C C9 0.42127(6) 0.95278(15) 0.62588(7) 0.0208(2) Uani d 1 . . H H9 0.366824 0.954238 0.624903 0.025 Uiso calc 1 . . C C8 0.46085(6) 1.09637(16) 0.66778(8) 0.0227(2) Uani d 1 . . H H8 0.433919 1.197268 0.694413 0.027 Uiso calc 1 . . C C10 0.66605(6) 0.63804(14) 0.58043(8) 0.0195(2) Uani d 1 . . C C11 0.72187(6) 0.73773(15) 0.53354(8) 0.0230(2) Uani d 1 . . H H11 0.708001 0.806390 0.477187 0.028 Uiso calc 1 . . C C12 0.79762(6) 0.73705(17) 0.56887(9) 0.0279(3) Uani d 1 . . H H12 0.835310 0.804172 0.536078 0.033 Uiso calc 1 . . C C13 0.81862(6) 0.63895(18) 0.65175(9) 0.0304(3) Uani d 1 . . H H13 0.870494 0.638778 0.675522 0.036 Uiso calc 1 . . C C14 0.76359(7) 0.54137(18) 0.69960(9) 0.0291(3) Uani d 1 . . H H14 0.777466 0.474931 0.756664 0.035 Uiso calc 1 . . C C15 0.68800(6) 0.54111(16) 0.66375(8) 0.0237(2) Uani d 1 . . H H15 0.650539 0.473505 0.696692 0.028 Uiso calc 1 . . C C16 0.66497(6) 0.36066(14) 0.43696(8) 0.0193(2) Uani d 1 . . C C17 0.68730(6) 0.46152(16) 0.35761(8) 0.0232(2) Uani d 1 . . H H17 0.650177 0.532606 0.321745 0.028 Uiso calc 1 . . C C18 0.76253(7) 0.46026(17) 0.32994(8) 0.0267(3) Uani d 1 . . H H18 0.776043 0.530974 0.275692 0.032 Uiso calc 1 . . C C19 0.81886(6) 0.35704(16) 0.38025(9) 0.0259(3) Uani d 1 . . C C20 0.79632(6) 0.25727(16) 0.46023(9) 0.0263(3) Uani d 1 . . H H20 0.833480 0.187196 0.496597 0.032 Uiso calc 1 . . C C21 0.72085(6) 0.25820(15) 0.48778(8) 0.0230(2) Uani d 1 . . H H21 0.707199 0.187879 0.542092 0.028 Uiso calc 1 . . C C22 0.90252(7) 0.36360(18) 0.35078(11) 0.0349(3) Uani d 1 . . C C23 0.90723(8) 0.3565(2) 0.24076(12) 0.0470(4) Uani d 1 . . H H23A 0.961087 0.361075 0.223849 0.071 Uiso calc 1 . . H H23B 0.879717 0.462884 0.212042 0.071 Uiso calc 1 . . H H23C 0.883899 0.241031 0.216370 0.071 Uiso calc 1 . . C C24 0.94952(8) 0.2022(2) 0.39435(14) 0.0507(4) Uani d 1 . . H H24A 1.001657 0.206593 0.371175 0.076 Uiso calc 1 . . H H24B 0.925342 0.084236 0.375207 0.076 Uiso calc 1 . . H H24C 0.951606 0.212450 0.464546 0.076 Uiso calc 1 . . C C25 0.93705(7) 0.5489(2) 0.38635(12) 0.0426(4) Uani d 1 . . H H25A 0.990449 0.557346 0.367906 0.064 Uiso calc 1 . . H H25B 0.935184 0.555463 0.456447 0.064 Uiso calc 1 . . H H25C 0.907536 0.651923 0.357381 0.064 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 C1 0.0205(5) 0.0192(5) 0.0150(5) 0.0013(4) 0.0023(4) 0.0020(4) C2 0.0189(5) 0.0193(5) 0.0161(5) 0.0008(4) 0.0010(4) 0.0018(4) C3 0.0187(5) 0.0182(5) 0.0157(5) -0.0004(4) 0.0019(4) 0.0019(4) C4 0.0185(5) 0.0193(5) 0.0163(5) -0.0011(4) 0.0025(4) 0.0017(4) C5 0.0205(5) 0.0192(5) 0.0146(5) -0.0014(4) 0.0018(4) 0.0016(4) C7 0.0293(6) 0.0193(5) 0.0190(5) -0.0030(4) 0.0008(4) -0.0021(4) C6 0.0225(5) 0.0218(5) 0.0186(5) -0.0029(4) 0.0018(4) 0.0000(4) C9 0.0224(5) 0.0216(5) 0.0185(5) 0.0032(4) 0.0019(4) 0.0007(4) C8 0.0296(6) 0.0193(5) 0.0194(5) 0.0038(4) 0.0031(4) -0.0011(4) C10 0.0189(5) 0.0186(5) 0.0213(5) -0.0002(4) 0.0019(4) -0.0039(4) C11 0.0225(5) 0.0208(5) 0.0258(5) -0.0011(4) 0.0033(4) -0.0008(4) C12 0.0209(5) 0.0262(6) 0.0370(6) -0.0038(4) 0.0062(5) -0.0039(5) C13 0.0183(5) 0.0352(7) 0.0372(7) 0.0007(5) -0.0032(5) -0.0061(5) C14 0.0253(6) 0.0354(7) 0.0260(6) 0.0042(5) -0.0029(4) 0.0002(5) C15 0.0219(5) 0.0267(6) 0.0225(5) -0.0001(4) 0.0026(4) -0.0006(4) C16 0.0186(5) 0.0185(5) 0.0209(5) 0.0000(4) 0.0024(4) -0.0041(4) C17 0.0229(5) 0.0248(6) 0.0220(5) 0.0008(4) 0.0012(4) 0.0000(4) C18 0.0267(6) 0.0287(6) 0.0251(6) -0.0028(5) 0.0078(4) 0.0005(5) C19 0.0207(5) 0.0240(6) 0.0335(6) -0.0017(4) 0.0069(4) -0.0061(5) C20 0.0202(5) 0.0240(6) 0.0346(6) 0.0026(4) 0.0004(4) -0.0003(5) C21 0.0218(5) 0.0211(5) 0.0260(5) 0.0003(4) 0.0025(4) 0.0015(4) C22 0.0222(6) 0.0322(7) 0.0512(8) -0.0016(5) 0.0119(5) -0.0045(6) C23 0.0356(7) 0.0495(9) 0.0582(9) -0.0060(6) 0.0270(7) -0.0099(7) C24 0.0228(6) 0.0454(9) 0.0853(12) 0.0066(6) 0.0168(7) 0.0058(8) C25 0.0235(6) 0.0416(8) 0.0635(9) -0.0067(6) 0.0108(6) -0.0067(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 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' 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 C2 C1 C9 . 3_666 121.73(9) ? C2 C1 C5 . 3_666 120.20(9) ? C9 C1 C5 3_666 3_666 117.96(9) ? C1 C2 C3 . . 120.45(9) ? C1 C2 C16 . . 116.05(9) ? C3 C2 C16 . . 123.04(9) ? C2 C3 C4 . . 121.94(9) ? C2 C3 C3 . 3_666 119.06(11) ? C4 C3 C3 . 3_666 118.99(11) ? C5 C4 C3 . . 120.37(9) ? C5 C4 C10 . . 115.85(9) ? C3 C4 C10 . . 123.26(9) ? C4 C5 C1 . 3_666 120.31(9) ? C4 C5 C6 . . 121.66(9) ? C1 C5 C6 3_666 . 117.92(9) ? C6 C7 C8 . . 120.21(10) ? C6 C7 H7 . . 119.9 ? C8 C7 H7 . . 119.9 ? C7 C6 C5 . . 121.83(10) ? C7 C6 H6 . . 119.1 ? C5 C6 H6 . . 119.1 ? C8 C9 C1 . 3_666 121.83(10) ? C8 C9 H9 . . 119.1 ? C1 C9 H9 3_666 . 119.1 ? C9 C8 C7 . . 120.23(10) ? C9 C8 H8 . . 119.9 ? C7 C8 H8 . . 119.9 ? C15 C10 C11 . . 118.43(10) ? C15 C10 C4 . . 118.15(9) ? C11 C10 C4 . . 123.08(10) ? C12 C11 C10 . . 120.35(11) ? C12 C11 H11 . . 119.8 ? C10 C11 H11 . . 119.8 ? C13 C12 C11 . . 120.49(11) ? C13 C12 H12 . . 119.8 ? C11 C12 H12 . . 119.8 ? C14 C13 C12 . . 119.71(11) ? C14 C13 H13 . . 120.1 ? C12 C13 H13 . . 120.1 ? C13 C14 C15 . . 119.70(11) ? C13 C14 H14 . . 120.1 ? C15 C14 H14 . . 120.1 ? C14 C15 C10 . . 121.31(11) ? C14 C15 H15 . . 119.3 ? C10 C15 H15 . . 119.3 ? C21 C16 C17 . . 117.75(10) ? C21 C16 C2 . . 123.57(10) ? C17 C16 C2 . . 118.37(9) ? C18 C17 C16 . . 121.35(10) ? C18 C17 H17 . . 119.3 ? C16 C17 H17 . . 119.3 ? C17 C18 C19 . . 121.25(11) ? C17 C18 H18 . . 119.4 ? C19 C18 H18 . . 119.4 ? C18 C19 C20 . . 117.20(10) ? C18 C19 C22 . . 120.40(11) ? C20 C19 C22 . . 122.32(11) ? C21 C20 C19 . . 121.52(11) ? C21 C20 H20 . . 119.2 ? C19 C20 H20 . . 119.2 ? C20 C21 C16 . . 120.93(10) ? C20 C21 H21 . . 119.5 ? C16 C21 H21 . . 119.5 ? C24 C22 C19 . . 111.67(11) ? C24 C22 C25 . . 109.61(12) ? C19 C22 C25 . . 107.72(10) ? C24 C22 C23 . . 108.52(12) ? C19 C22 C23 . . 111.08(11) ? C25 C22 C23 . . 108.18(12) ? C22 C23 H23A . . 109.5 ? C22 C23 H23B . . 109.5 ? H23A C23 H23B . . 109.5 ? C22 C23 H23C . . 109.5 ? H23A C23 H23C . . 109.5 ? H23B C23 H23C . . 109.5 ? C22 C24 H24A . . 109.5 ? C22 C24 H24B . . 109.5 ? H24A C24 H24B . . 109.5 ? C22 C24 H24C . . 109.5 ? H24A C24 H24C . . 109.5 ? H24B C24 H24C . . 109.5 ? C22 C25 H25A . . 109.5 ? C22 C25 H25B . . 109.5 ? H25A C25 H25B . . 109.5 ? C22 C25 H25C . . 109.5 ? H25A C25 H25C . . 109.5 ? H25B C25 H25C . . 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 C1 C2 . 1.4049(15) ? C1 C9 3_666 1.4362(15) ? C1 C5 3_666 1.4378(14) ? C2 C3 . 1.4256(14) ? C2 C16 . 1.4986(14) ? C3 C4 . 1.4304(14) ? C3 C3 3_666 1.4659(19) ? C4 C5 . 1.4014(15) ? C4 C10 . 1.5018(14) ? C5 C6 . 1.4384(15) ? C7 C6 . 1.3592(16) ? C7 C8 . 1.4157(16) ? C7 H7 . 0.9500 ? C6 H6 . 0.9500 ? C9 C8 . 1.3605(16) ? C9 H9 . 0.9500 ? C8 H8 . 0.9500 ? C10 C15 . 1.3935(16) ? C10 C11 . 1.3963(15) ? C11 C12 . 1.3900(16) ? C11 H11 . 0.9500 ? C12 C13 . 1.3890(18) ? C12 H12 . 0.9500 ? C13 C14 . 1.3854(18) ? C13 H13 . 0.9500 ? C14 C15 . 1.3897(16) ? C14 H14 . 0.9500 ? C15 H15 . 0.9500 ? C16 C21 . 1.3910(15) ? C16 C17 . 1.3934(15) ? C17 C18 . 1.3854(15) ? C17 H17 . 0.9500 ? C18 C19 . 1.3959(17) ? C18 H18 . 0.9500 ? C19 C20 . 1.3975(17) ? C19 C22 . 1.5356(15) ? C20 C21 . 1.3888(15) ? C20 H20 . 0.9500 ? C21 H21 . 0.9500 ? C22 C24 . 1.532(2) ? C22 C25 . 1.5369(19) ? C22 C23 . 1.540(2) ? C23 H23A . 0.9800 ? C23 H23B . 0.9800 ? C23 H23C . 0.9800 ? C24 H24A . 0.9800 ? C24 H24B . 0.9800 ? C24 H24C . 0.9800 ? C25 H25A . 0.9800 ? C25 H25B . 0.9800 ? C25 H25C . 0.9800 ? 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 C9 C1 C2 C3 3_666 . . . -177.47(9) ? C5 C1 C2 C3 3_666 . . . 6.42(15) ? C9 C1 C2 C16 3_666 . . . 10.12(14) ? C5 C1 C2 C16 3_666 . . . -165.98(9) ? C1 C2 C3 C4 . . . . 173.65(9) ? C16 C2 C3 C4 . . . . -14.50(15) ? C1 C2 C3 C3 . . . 3_666 -6.33(17) ? C16 C2 C3 C3 . . . 3_666 165.53(11) ? C2 C3 C4 C5 . . . . 173.66(9) ? C3 C3 C4 C5 3_666 . . . -6.37(17) ? C2 C3 C4 C10 . . . . -14.88(15) ? C3 C3 C4 C10 3_666 . . . 165.09(11) ? C3 C4 C5 C1 . . . 3_666 6.43(15) ? C10 C4 C5 C1 . . . 3_666 -165.64(9) ? C3 C4 C5 C6 . . . . -177.43(9) ? C10 C4 C5 C6 . . . . 10.50(14) ? C8 C7 C6 C5 . . . . 1.16(16) ? C4 C5 C6 C7 . . . . -177.35(10) ? C1 C5 C6 C7 3_666 . . . -1.12(15) ? C1 C9 C8 C7 3_666 . . . -1.19(16) ? C6 C7 C8 C9 . . . . 0.01(16) ? C5 C4 C10 C15 . . . . 90.96(12) ? C3 C4 C10 C15 . . . . -80.85(13) ? C5 C4 C10 C11 . . . . -82.23(13) ? C3 C4 C10 C11 . . . . 105.95(12) ? C15 C10 C11 C12 . . . . 0.99(16) ? C4 C10 C11 C12 . . . . 174.17(10) ? C10 C11 C12 C13 . . . . -0.69(17) ? C11 C12 C13 C14 . . . . -0.11(18) ? C12 C13 C14 C15 . . . . 0.59(18) ? C13 C14 C15 C10 . . . . -0.28(18) ? C11 C10 C15 C14 . . . . -0.51(16) ? C4 C10 C15 C14 . . . . -174.03(10) ? C1 C2 C16 C21 . . . . -80.56(13) ? C3 C2 C16 C21 . . . . 107.25(12) ? C1 C2 C16 C17 . . . . 92.84(12) ? C3 C2 C16 C17 . . . . -79.35(13) ? C21 C16 C17 C18 . . . . 0.01(16) ? C2 C16 C17 C18 . . . . -173.78(10) ? C16 C17 C18 C19 . . . . 0.32(18) ? C17 C18 C19 C20 . . . . -0.80(17) ? C17 C18 C19 C22 . . . . -177.59(11) ? C18 C19 C20 C21 . . . . 0.98(17) ? C22 C19 C20 C21 . . . . 177.71(11) ? C19 C20 C21 C16 . . . . -0.68(18) ? C17 C16 C21 C20 . . . . 0.16(16) ? C2 C16 C21 C20 . . . . 173.60(10) ? C18 C19 C22 C24 . . . . -163.48(12) ? C20 C19 C22 C24 . . . . 19.89(18) ? C18 C19 C22 C25 . . . . 76.12(15) ? C20 C19 C22 C25 . . . . -100.51(14) ? C18 C19 C22 C23 . . . . -42.19(16) ? C20 C19 C22 C23 . . . . 141.18(13) ? _cod_database_fobs_code 2022710