#------------------------------------------------------------------------------ #$Date: 2025-01-11 04:25:19 +0200 (Sat, 11 Jan 2025) $ #$Revision: 297286 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/36/1573681.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1573681 loop_ _publ_author_name 'Artis, Rylan' 'Callaway, Waylan' 'Heyward, Elizabeth' 'Reyes, Naomi' 'Roberts, Gavin' 'Van Ostenbridge, Kaitlyn' 'Padgett, Clifford W.' 'Lynch, Will E.' _journal_coeditor_code EJ2011 _journal_paper_doi 10.1107/S2056989025000118 _journal_year 2025 _chemical_formula_iupac 'C18 H15 S +, I3 -' _chemical_formula_moiety 'C18 H15 S +, I3 -' _chemical_formula_sum 'C18 H15 I3 S' _chemical_formula_weight 644.06 _chemical_name_systematic ; Triphenylsulfonium triiodide ; _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 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _cell_angle_alpha 90 _cell_angle_beta 92.3740(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.89710(10) _cell_length_b 11.94140(10) _cell_length_c 13.07180(10) _cell_measurement_reflns_used 11125 _cell_measurement_temperature 298.7(3) _cell_measurement_theta_max 67.9040 _cell_measurement_theta_min 3.4090 _cell_volume 2011.45(3) _computing_cell_refinement ; CrysAlisPro 1.171.42.84a (Rigaku OD, 2023) ; _computing_data_collection ; CrysAlisPro 1.171.42.84a (Rigaku OD, 2023) ; _computing_data_reduction ; CrysAlisPro 1.171.42.84a (Rigaku OD, 2023) ; _computing_molecular_graphics ; Olex2 1.5 (Dolomanov et al., 2009) ; _computing_publication_material ; Olex2 1.5 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018/2 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 299.15 _diffrn_detector_area_resol_mean 10.0000 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at home/near, HyPix3000' _diffrn_measurement_method '\w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0458 _diffrn_reflns_av_unetI/netI 0.0327 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 20556 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 68.386 _diffrn_reflns_theta_min 4.720 _exptl_absorpt_coefficient_mu 37.525 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.52632 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2023) ; _exptl_crystal_colour 'clear dark red' _exptl_crystal_density_diffrn 2.127 _exptl_crystal_description irregular _exptl_crystal_F_000 1192 _exptl_crystal_size_max 0.141 _exptl_crystal_size_mid 0.101 _exptl_crystal_size_min 0.096 _refine_diff_density_max 0.871 _refine_diff_density_min -0.900 _refine_ls_extinction_coef 0.00048(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method ; SHELXL2018/3 (Sheldrick 2015a) ; _refine_ls_goodness_of_fit_ref 1.055 _refine_ls_hydrogen_treatment refU _refine_ls_matrix_type full _refine_ls_number_parameters 215 _refine_ls_number_reflns 3681 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.055 _refine_ls_R_factor_all 0.0374 _refine_ls_R_factor_gt 0.0306 _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^)+(0.0394P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0733 _refine_ls_wR_factor_ref 0.0771 _reflns_number_gt 3113 _reflns_number_total 3681 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ej2011.cif _cod_data_source_block I _cod_database_code 1573681 _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 0.076 _shelx_estimated_absorpt_t_max 0.123 _shelx_hkl_file ; 0 0 -1 0.48 0.40 0 0 -1 0.33 0.37 0 0 -1 0.51 0.37 0 0 -1 0.33 0.29 0 0 -1 0.09 0.34 0 0 -2 53.63 3.63 0 0 2 52.45 4.17 0 0 2 48.67 3.64 0 0 -2 54.92 3.73 0 0 -2 51.11 3.80 0 0 -2 58.40 3.33 0 0 -2 52.75 3.77 0 0 3 0.64 1.39 0 0 3 5.67 2.05 0 0 -3 2.57 1.39 0 0 -3 4.24 1.65 0 0 -3 3.03 1.07 0 0 -3 -0.57 1.20 0 0 3 1.49 1.29 0 0 -3 1.18 1.25 0 0 4 385.42 19.95 0 0 4 374.26 18.95 0 0 -4 389.87 18.50 0 0 -4 402.02 17.42 0 0 -4 385.56 19.09 0 0 4 395.96 18.78 0 0 -4 364.78 18.40 0 0 -5 1.55 1.43 0 0 -5 0.61 1.50 0 0 5 -0.62 1.51 0 0 5 5.13 2.71 0 0 5 0.55 1.53 0 0 -5 0.53 1.21 0 0 -6 50.35 6.01 0 0 -6 53.65 6.30 0 0 6 62.22 6.89 0 0 -6 51.75 6.69 0 0 6 58.36 7.03 0 0 6 66.79 7.98 0 0 7 3.62 2.51 0 0 -7 0.85 1.91 0 0 -7 2.02 2.64 0 0 7 1.15 2.59 0 0 8 5951.61 237.98 0 0 -8 6833.02 240.35 0 0 -8 6414.48 238.89 0 0 -8 6566.41 238.90 0 0 8 5690.93 234.39 0 0 -8 5453.90 232.91 0 0 -8 5781.17 234.34 0 0 -8 5915.25 236.22 0 0 -9 -3.06 3.46 0 0 -9 4.66 4.53 0 0 -9 1.55 2.86 0 0 9 4.94 4.02 0 0 -9 -1.32 2.12 0 0 9 -1.38 2.85 0 0 -9 1.24 2.55 0 0 -9 -1.62 3.67 0 0 -10 95.33 13.53 0 0 -10 73.23 11.67 0 0 10 56.77 10.51 0 0 -10 60.36 10.03 0 0 -10 78.58 11.97 0 0 -10 73.44 11.70 0 0 -11 -1.89 3.91 0 0 -11 1.75 2.79 0 0 -11 -1.98 4.47 0 0 -11 2.01 3.71 0 0 -12 12.95 5.13 0 0 12 6.35 4.79 0 0 -12 5.71 4.98 0 0 -13 1.81 4.09 0 0 13 1.97 3.64 0 0 -13 12.41 6.54 0 0 -14 7.91 4.14 0 0 14 8.31 4.61 0 0 -14 8.95 5.16 0 0 -15 1.21 2.49 0 0 -15 -4.43 4.68 0 0 15 -2.47 4.55 0 1 0 0.20 0.39 0 -1 0 0.31 0.65 0 1 0 0.48 0.53 0 -1 0 0.48 0.45 0 -1 0 0.13 0.46 0 1 0 -0.47 0.63 0 -1 0 -0.16 0.56 0 -1 1 1963.49 70.65 0 1 1 1840.56 71.58 0 -1 1 2115.40 71.74 0 1 -1 1945.77 71.13 0 -1 1 1716.26 71.46 0 -1 1 1880.30 71.90 0 -1 -1 1940.91 71.33 0 -1 -1 1844.36 71.79 0 -1 -1 1859.14 71.96 0 -1 -1 1736.40 72.14 0 -1 1 1956.04 71.70 0 1 1 1747.58 72.33 0 1 1 1748.15 72.12 0 1 -1 1953.45 71.38 0 1 -1 1913.55 71.45 0 1 -1 1839.70 71.80 0 1 -2 134.56 6.90 0 -1 2 125.59 5.37 0 1 2 139.57 7.51 0 1 2 114.82 7.67 0 -1 2 124.44 7.44 0 -1 -2 115.96 7.65 0 -1 -2 126.03 6.08 0 -1 -2 128.97 6.97 0 -1 -2 125.33 7.42 0 -1 2 127.39 6.62 0 1 -2 130.67 6.94 0 1 -2 122.55 6.93 0 -1 2 141.28 7.12 0 1 -2 126.39 6.62 0 1 -3 407.54 18.25 0 -1 3 405.39 18.60 0 1 3 409.07 19.42 0 1 3 391.59 19.73 0 -1 3 406.06 19.78 0 -1 -3 370.75 19.50 0 -1 3 427.42 17.91 0 1 -3 421.27 18.52 0 -1 -3 417.21 18.34 0 -1 -3 418.82 16.80 0 -1 -3 412.96 19.40 0 1 -3 402.46 18.41 0 1 -3 422.54 18.83 0 -1 4 749.33 32.06 0 -1 -4 713.64 32.54 0 1 -4 713.51 31.30 0 1 4 730.92 33.42 0 -1 4 767.14 33.88 0 1 4 749.10 33.19 0 -1 -4 672.32 32.75 0 -1 4 727.81 30.63 0 -1 -4 737.80 31.15 0 1 -4 785.30 30.47 0 1 -4 732.42 32.20 0 1 -4 716.71 31.39 0 -1 -4 748.53 32.86 0 1 -4 730.37 31.64 0 1 -5 91.51 7.43 0 -1 -5 104.33 8.80 0 -1 -5 83.79 7.78 0 1 -5 80.25 6.96 0 -1 5 94.36 7.83 0 -1 -5 112.59 8.94 0 1 -5 91.49 7.96 0 -1 5 89.78 8.75 0 1 5 86.63 8.48 0 1 5 98.74 8.77 0 -1 5 86.71 7.28 0 1 6 48.69 6.73 0 -1 6 50.43 7.05 0 1 6 38.98 6.20 0 -1 -6 47.05 6.56 0 1 -6 39.66 5.97 0 1 -6 41.83 5.49 0 1 -6 42.19 5.44 0 -1 6 40.02 5.58 0 1 6 44.18 6.08 0 -1 -6 34.44 5.42 0 -1 -6 41.65 6.49 0 1 -7 1753.01 76.35 0 1 7 1867.32 79.62 0 -1 7 1859.99 80.72 0 1 7 1866.36 79.49 0 -1 -7 1971.07 80.54 0 1 -7 1851.18 78.56 0 1 -7 1701.83 75.65 0 -1 7 1783.71 77.04 0 -1 -7 1706.74 77.00 0 1 7 1704.23 77.17 0 1 -7 2002.38 81.72 0 -1 -7 1910.06 79.21 0 -1 -8 246.23 18.25 0 1 -8 233.21 17.81 0 -1 -8 275.69 20.66 0 1 -8 258.15 20.45 0 1 -8 198.72 16.16 0 1 8 248.90 19.42 0 -1 8 239.20 19.75 0 -1 -8 242.69 19.59 0 1 -8 245.90 19.96 0 -1 -8 266.29 20.15 0 1 -8 276.60 20.19 0 1 8 186.18 16.77 0 1 -8 210.57 16.17 0 -1 8 246.65 18.19 0 -1 -8 221.47 17.51 0 -1 -8 275.12 20.52 0 -1 -8 201.98 17.76 0 1 -8 248.86 19.25 0 -1 9 524.17 34.19 0 1 9 482.03 32.59 0 1 -9 574.09 34.95 0 -1 -9 575.17 34.64 0 1 -9 536.02 33.33 0 -1 -9 557.89 33.98 0 1 -9 543.03 33.93 0 -1 -9 559.52 33.98 0 -1 9 487.06 31.09 0 -1 -9 430.94 29.78 0 1 -9 466.38 30.55 0 -1 -9 538.13 32.00 0 -1 -9 492.44 32.33 0 1 -9 533.22 33.33 0 -1 -10 -1.77 3.66 0 1 -10 -1.82 2.37 0 1 -10 1.76 4.29 0 -1 -10 1.72 4.19 0 -1 -10 5.32 4.63 0 -1 10 -1.94 4.01 0 1 -10 1.56 3.22 0 -1 -10 1.57 2.50 0 -1 -10 1.53 3.46 0 -1 -10 1.81 3.33 0 1 -10 3.69 3.80 0 1 11 45.32 10.21 0 -1 11 59.15 11.82 0 1 -11 38.44 9.49 0 -1 11 63.74 12.05 0 -1 -11 65.39 11.63 0 -1 -11 45.59 9.31 0 1 -11 42.13 8.59 0 -1 -11 41.09 10.04 0 1 -11 31.75 8.57 0 1 -11 47.11 10.14 0 -1 -11 64.71 11.45 0 1 -12 83.45 12.64 0 -1 -12 79.44 12.60 0 1 12 76.84 13.80 0 -1 12 85.57 14.06 0 1 -12 95.16 13.76 0 -1 -12 114.29 14.92 0 1 -13 63.07 10.69 0 1 13 76.65 12.29 0 -1 -13 71.37 11.69 0 -1 13 65.69 12.31 0 1 13 67.35 11.92 0 -1 -13 71.30 11.96 0 1 -13 68.82 11.45 0 -1 -14 9.29 4.52 0 1 -14 1.57 2.90 0 -1 14 1.67 5.11 0 1 14 -1.61 4.92 0 1 -14 1.48 4.32 0 -1 -14 -4.37 5.20 0 -1 -15 160.86 14.58 0 1 -15 147.09 14.18 0 -1 -15 141.35 13.39 0 1 -15 173.71 14.59 0 1 15 148.86 14.25 0 -1 15 149.10 14.63 0 2 0 16.55 1.98 0 2 0 8.82 2.28 0 2 0 6.04 1.89 0 -2 0 8.90 1.57 0 2 0 9.06 1.80 0 -2 0 7.84 1.81 0 -2 0 9.27 2.39 0 -2 0 9.15 2.39 0 -2 0 11.83 1.91 0 2 1 156.81 9.16 0 2 -1 146.54 9.18 0 2 -1 168.62 9.29 0 -2 1 208.16 7.79 0 -2 -1 172.38 8.27 0 -2 1 159.93 7.03 0 -2 -1 162.70 8.14 0 2 1 160.32 8.91 0 -2 1 171.59 8.43 0 2 1 177.05 8.95 0 -2 1 165.16 9.33 0 -2 -1 174.80 9.83 0 -2 -1 172.99 9.36 0 -2 1 175.18 9.71 0 -2 -1 162.28 9.07 0 -2 1 170.86 8.45 0 2 1 160.48 9.60 0 2 1 150.97 9.62 0 -2 1 170.94 7.30 0 -2 -1 153.56 9.18 0 2 -2 906.96 36.39 0 2 -2 855.63 35.27 0 2 -2 907.07 35.52 0 -2 -2 837.53 35.63 0 -2 2 936.17 35.92 0 2 -2 852.87 34.76 0 2 2 867.84 35.87 0 2 2 843.57 37.21 0 2 2 840.22 36.88 0 -2 2 847.54 35.84 0 -2 2 776.50 35.61 0 -2 -2 888.38 36.26 0 -2 2 899.86 36.31 0 -2 -2 875.25 35.17 0 -2 -2 860.87 37.03 0 -2 2 889.90 33.78 0 2 -3 401.25 18.09 0 -2 -3 370.54 19.72 0 2 3 386.67 20.03 0 2 3 370.45 19.11 0 -2 3 403.58 19.28 0 2 3 398.60 18.57 0 -2 3 387.27 18.25 0 2 -3 372.59 17.37 0 -2 3 326.09 17.52 0 -2 -3 368.93 18.97 0 -2 -3 400.08 18.60 0 2 -3 413.09 18.81 0 2 -3 380.74 18.04 0 2 -3 384.77 17.42 0 2 -4 4338.56 160.97 0 2 -4 4329.33 160.27 0 -2 4 4310.65 161.28 0 2 -4 4206.22 161.26 0 2 -4 4193.18 161.10 0 -2 -4 4296.74 163.52 0 -2 4 3867.85 159.99 0 2 4 4220.51 161.74 0 2 4 4093.75 161.85 0 2 4 4128.27 163.47 0 -2 4 4207.83 162.90 0 -2 -4 4355.07 161.16 0 -2 -4 4207.09 162.37 0 2 -5 981.14 42.97 0 2 -5 1007.67 43.58 0 -2 -5 1044.00 44.94 0 2 -5 984.44 42.05 0 -2 -5 950.92 44.20 0 -2 5 937.94 42.90 0 -2 -5 1001.25 45.11 0 2 -5 990.03 42.80 0 -2 -5 920.18 44.91 0 2 5 1016.48 44.10 0 -2 5 944.53 44.80 0 2 5 994.11 45.51 0 -2 -5 1023.32 42.75 0 -2 -5 990.59 44.53 0 2 -6 163.22 12.21 0 2 -6 184.69 13.47 0 -2 -6 185.65 14.18 0 2 -6 176.36 12.51 0 -2 -6 169.57 13.47 0 -2 6 166.72 12.51 0 2 -6 172.62 11.90 0 -2 -6 177.84 13.92 0 -2 6 179.11 14.50 0 2 6 182.79 14.53 0 2 6 177.62 13.50 0 -2 -6 171.58 13.48 0 -2 -6 188.52 14.73 0 -2 -7 183.92 15.44 0 2 -7 135.12 12.23 0 -2 -7 158.45 13.94 0 -2 7 178.36 14.03 0 2 -7 220.43 15.80 0 -2 -7 182.03 15.12 0 -2 -7 231.64 16.93 0 2 -7 184.22 15.76 0 2 7 159.61 14.06 0 2 7 161.74 14.99 0 -2 7 186.12 16.02 0 -2 -7 174.09 14.65 0 2 8 123.44 13.27 0 -2 8 119.23 13.62 0 -2 -8 144.00 14.26 0 2 -8 112.52 13.35 0 -2 -8 117.60 12.91 0 2 -8 116.12 11.41 0 2 8 92.23 11.41 0 -2 -8 100.75 11.75 0 -2 8 112.17 11.69 0 -2 -8 115.63 13.24 0 2 -8 126.35 12.50 0 -2 -8 100.43 11.81 0 2 -8 106.13 13.23 0 -2 -8 133.96 13.74 0 2 -8 115.79 12.69 0 -2 -8 92.53 11.52 0 -2 -9 413.81 28.92 0 -2 -9 429.92 28.55 0 2 -9 436.55 28.34 0 -2 -9 492.18 30.95 0 2 -9 475.58 31.14 0 -2 9 422.81 28.75 0 2 -9 399.37 26.60 0 -2 9 351.42 26.61 0 -2 -9 401.97 27.85 0 -2 -9 474.52 31.30 0 -2 -9 459.55 29.73 0 -2 -9 455.61 30.13 0 2 -9 461.91 30.50 0 -2 9 463.31 31.44 0 2 -9 422.62 29.32 0 -2 -10 31.86 8.91 0 2 -10 42.37 9.72 0 -2 -10 35.79 7.79 0 -2 -10 67.01 11.18 0 2 -10 31.71 8.72 0 -2 -10 38.46 8.98 0 -2 10 39.62 9.07 0 -2 -10 42.56 8.93 0 2 -10 43.41 8.51 0 -2 -10 48.45 8.93 0 -2 10 28.24 7.17 0 -2 11 36.00 9.22 0 -2 -11 45.71 9.68 0 2 11 24.20 8.17 0 -2 11 21.49 7.22 0 -2 -11 28.36 7.73 0 2 -11 32.01 7.76 0 -2 -11 32.33 8.51 0 -2 -11 34.53 8.55 0 2 -11 16.89 6.56 0 2 11 39.16 9.68 0 -2 11 25.41 8.04 0 -2 -11 35.31 8.04 0 2 -11 17.72 7.98 0 -2 -11 13.35 6.66 0 2 12 548.56 37.84 0 -2 12 562.05 38.63 0 2 -12 531.47 36.56 0 -2 -12 561.78 36.55 0 2 12 465.64 35.66 0 -2 -12 609.68 37.56 0 2 -12 528.51 35.92 0 -2 13 162.70 18.85 0 2 13 203.78 20.29 0 2 -13 194.08 19.26 0 -2 -13 192.00 18.90 0 2 13 177.85 18.79 0 -2 -13 163.10 17.78 0 2 -13 179.39 18.80 0 -2 14 3.24 3.96 0 2 14 -1.51 3.11 0 -2 -14 -1.36 3.55 0 2 -14 -1.42 3.70 0 2 -14 1.53 2.82 0 -2 -14 1.48 3.06 0 2 15 -1.08 2.63 0 2 -15 -2.05 2.67 0 -2 -15 0.97 2.37 0 2 -15 -1.15 2.59 0 3 0 0.64 1.28 0 3 0 -0.97 2.01 0 3 0 1.35 2.03 0 -3 0 1.22 1.37 0 3 0 1.81 1.53 0 -3 0 -0.50 1.95 0 -3 0 1.45 2.56 0 -3 0 1.45 1.26 0 -3 0 0.40 1.53 0 3 1 67.69 6.02 0 3 -1 57.49 6.10 0 3 -1 58.65 5.98 0 3 1 73.74 6.80 0 -3 -1 67.16 4.47 0 -3 1 65.33 4.35 0 -3 -1 67.62 5.19 0 -3 -1 72.67 6.16 0 3 1 72.58 5.63 0 -3 1 80.36 5.69 0 3 1 74.50 5.60 0 -3 -1 72.68 5.95 0 -3 1 72.59 6.37 0 -3 -1 80.86 6.99 0 -3 -1 56.34 5.79 0 -3 1 69.28 6.43 0 -3 -1 63.81 5.98 0 -3 1 67.01 4.89 0 3 -1 62.48 4.87 0 3 1 62.05 5.94 0 -3 -2 261.26 14.30 0 -3 -2 241.51 13.43 0 -3 2 242.80 14.24 0 3 2 249.15 13.72 0 3 2 234.54 13.29 0 -3 -2 266.61 14.82 0 -3 -2 262.06 12.93 0 -3 -2 247.16 14.46 0 -3 2 243.78 14.00 0 3 2 242.63 13.96 0 3 -2 259.72 13.80 0 3 -2 260.45 13.12 0 3 -2 250.68 14.25 0 3 2 282.03 15.51 0 3 2 242.76 14.81 0 -3 2 244.09 13.16 0 -3 -3 2494.38 95.28 0 -3 3 2430.77 94.99 0 3 3 2331.10 94.72 0 3 -3 2455.12 94.02 0 3 -3 2326.28 92.80 0 -3 3 2397.38 94.26 0 3 3 2259.95 94.27 0 -3 -3 2554.99 96.69 0 -3 -3 2509.68 94.36 0 -3 -3 2204.49 95.75 0 -3 3 2382.50 94.55 0 3 -3 2452.98 93.83 0 3 -3 2468.11 95.33 0 3 -3 2417.44 93.72 0 -3 3 2378.15 94.63 0 3 3 2353.48 96.65 0 3 3 2398.71 96.24 0 3 -4 23.27 3.71 0 3 -4 21.82 3.29 0 -3 4 28.49 4.28 0 3 4 26.41 4.61 0 3 -4 34.71 4.79 0 -3 -4 32.52 5.29 0 -3 -4 26.96 4.31 0 -3 -4 23.86 4.96 0 -3 4 22.83 3.96 0 -3 4 17.66 3.88 0 3 4 31.10 5.32 0 3 -4 28.83 4.09 0 -3 -4 26.22 4.19 0 3 -5 1759.63 73.41 0 3 -5 1736.02 72.81 0 -3 -5 1800.49 73.78 0 -3 5 1750.58 72.85 0 -3 -5 1896.93 75.79 0 -3 -5 1817.18 72.88 0 3 -5 1770.12 72.42 0 -3 -5 1765.50 75.80 0 -3 5 1644.57 74.19 0 3 5 1718.13 75.68 0 3 5 1732.04 73.95 0 -3 -6 19.84 5.37 0 3 -6 28.61 4.83 0 -3 -6 25.02 5.47 0 -3 -6 24.34 5.21 0 -3 6 24.00 4.74 0 3 6 33.36 6.31 0 -3 6 29.87 5.82 0 -3 -6 36.29 6.20 0 -3 -6 23.85 4.81 0 3 -6 25.80 4.92 0 3 -6 20.22 4.36 0 -3 -7 238.79 19.11 0 3 -7 220.21 16.21 0 -3 -7 251.85 19.35 0 -3 7 231.01 18.76 0 3 7 244.71 19.22 0 -3 -7 241.78 18.00 0 3 -7 240.81 17.72 0 -3 -7 241.45 18.23 0 -3 -7 245.19 18.05 0 3 -7 221.65 17.27 0 -3 -7 258.98 18.73 0 -3 7 224.87 16.83 0 3 8 4.48 3.90 0 -3 8 4.63 3.19 0 -3 -8 11.69 4.49 0 -3 8 16.81 4.70 0 -3 -8 1.33 2.14 0 -3 -8 1.43 3.24 0 3 -8 5.56 2.91 0 -3 -8 1.49 2.76 0 3 -8 14.03 4.40 0 -3 -8 2.62 2.71 0 -3 -8 1.32 2.73 0 -3 9 21.29 5.91 0 -3 -9 19.80 5.85 0 3 -9 28.76 6.32 0 -3 -9 29.00 7.91 0 -3 9 21.57 6.47 0 3 -9 19.21 5.34 0 -3 -9 17.97 5.59 0 -3 -9 23.12 6.25 0 3 -10 248.77 21.59 0 -3 -10 259.41 22.02 0 -3 -10 253.17 21.96 0 -3 10 209.79 21.83 0 -3 -10 308.89 25.13 0 -3 10 241.07 21.84 0 3 -10 215.17 19.50 0 -3 -10 251.91 22.20 0 -3 11 484.98 35.22 0 -3 -11 583.27 36.97 0 -3 11 435.59 32.62 0 -3 -11 475.75 33.45 0 3 -11 500.85 33.92 0 3 11 471.89 34.39 0 -3 -11 439.38 31.79 0 3 -11 489.85 33.76 0 -3 12 6.15 5.02 0 3 12 13.24 6.30 0 -3 -12 7.65 5.59 0 -3 12 12.71 5.56 0 -3 -12 14.37 5.98 0 3 12 3.93 4.80 0 3 -12 1.84 3.80 0 -3 -12 10.00 5.11 0 3 -12 5.37 4.05 0 -3 13 62.87 11.79 0 -3 -13 63.74 10.62 0 3 -13 60.12 10.27 0 3 13 63.19 11.21 0 -3 -13 74.61 10.94 0 -3 -13 46.41 9.02 0 3 -13 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279.81 23.35 0 4 -14 23.88 5.91 0 4 14 14.04 4.75 0 -4 -14 22.45 5.68 0 -4 14 13.65 4.76 0 4 15 0.83 1.88 0 4 -15 0.93 2.27 0 5 0 -0.60 1.24 0 5 0 -0.64 1.78 0 -5 0 1.48 2.05 0 5 0 -1.19 1.64 0 5 0 0.89 2.47 0 5 0 -0.84 2.44 0 -5 0 0.85 2.48 0 -5 0 1.85 2.84 0 -5 1 0.80 2.20 0 -5 -1 2.45 1.87 0 5 1 6.71 2.46 0 5 1 1.82 1.48 0 5 1 2.26 1.97 0 -5 1 3.21 2.14 0 5 -1 1.69 2.70 0 5 1 0.94 2.60 0 5 -1 9.23 3.55 0 5 1 -0.83 2.53 0 -5 -1 -1.90 2.91 0 -5 1 15.22 4.05 0 -5 1 2.64 2.81 0 -5 -1 4.90 2.72 0 -5 -2 770.65 37.03 0 -5 2 807.94 38.91 0 5 2 802.75 36.42 0 -5 -2 698.38 37.22 0 -5 -2 805.00 37.81 0 -5 2 762.95 38.74 0 5 2 793.05 38.17 0 5 -2 774.84 38.23 0 5 -2 805.77 37.87 0 5 2 840.15 39.98 0 -5 -2 875.36 37.99 0 5 2 865.53 39.36 0 5 2 768.53 36.27 0 -5 2 788.08 38.49 0 5 3 938.72 43.57 0 -5 -3 967.18 45.26 0 -5 3 960.54 45.72 0 5 -3 964.80 45.44 0 5 -3 967.59 44.23 0 5 3 1011.92 47.34 0 5 3 950.83 44.77 0 -5 -3 1031.51 45.74 0 5 3 958.00 46.32 0 -5 -3 989.61 45.50 0 -5 3 992.12 45.56 0 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8.43 4.93 0 -5 -9 8.34 4.87 0 5 -9 10.06 4.90 0 5 9 19.08 6.60 0 -5 -9 5.44 4.43 0 5 9 11.12 5.14 0 -5 -10 71.91 11.54 0 5 -10 55.45 10.14 0 5 10 68.51 11.54 0 -5 10 46.92 10.44 0 -5 -10 59.14 11.35 0 5 -11 116.20 14.85 0 5 11 125.42 15.93 0 -5 11 151.56 17.36 0 -5 -11 112.18 15.42 0 5 -12 101.66 13.90 0 5 12 138.55 16.03 0 -5 12 154.45 17.16 0 -5 -12 150.48 16.94 0 5 13 129.75 14.24 0 5 -13 105.02 13.05 0 -5 13 106.22 13.15 0 -5 -13 110.29 13.38 0 5 -14 67.15 9.32 0 5 14 77.36 9.72 0 -5 14 84.57 10.26 0 -5 -14 73.74 9.54 0 6 0 4324.17 178.82 0 6 0 4649.11 183.47 0 6 0 4336.30 181.98 0 -6 0 5011.03 185.25 0 -6 0 4988.87 183.55 0 -6 0 4593.04 180.95 0 -6 1 700.60 36.49 0 6 1 740.25 34.81 0 -6 -1 673.02 36.15 0 6 1 786.21 36.73 0 6 -1 703.81 37.15 0 6 1 707.26 38.42 0 6 1 711.85 37.24 0 6 -1 718.20 37.43 0 -6 -1 758.12 37.20 0 -6 1 728.47 37.66 0 6 -1 649.46 34.21 0 -6 1 750.32 38.29 0 -6 2 3.20 2.79 0 6 2 10.30 3.81 0 6 2 3.17 2.54 0 -6 -2 3.85 3.21 0 -6 2 6.72 3.43 0 6 -2 5.33 3.27 0 6 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124.25 14.19 0 7 -2 123.57 11.97 0 7 2 141.54 13.41 0 -7 -2 118.62 13.39 0 -7 2 159.06 15.10 0 -7 2 115.55 12.95 0 -7 2 116.38 12.97 0 -7 -3 104.84 11.88 0 7 -3 73.66 9.73 0 7 3 81.60 11.61 0 7 -3 62.58 9.53 0 -7 3 70.24 10.30 0 -7 -3 91.65 11.72 0 7 3 85.85 10.60 0 -7 3 79.02 10.80 0 -7 3 91.02 11.26 0 7 3 103.13 11.95 0 7 4 2.82 2.90 0 -7 -4 1.41 3.44 0 7 4 1.51 3.12 0 7 -4 1.39 3.14 0 -7 4 2.82 2.91 0 7 -4 2.19 3.03 0 -7 4 3.06 3.16 0 -7 -4 2.42 2.96 0 7 4 -1.31 2.09 0 -7 -4 1.41 2.91 0 -7 4 4.14 3.12 0 7 -5 107.71 11.79 0 -7 -5 112.59 13.34 0 -7 5 130.48 14.17 0 7 5 115.89 13.92 0 7 -5 132.25 14.11 0 -7 -5 106.79 12.60 0 7 5 123.64 13.40 0 -7 5 117.05 14.51 0 7 5 119.78 13.96 0 -7 -6 282.82 23.08 0 7 -6 302.58 23.51 0 -7 6 291.19 23.44 0 7 6 309.96 22.93 0 7 6 313.74 24.39 0 -7 -6 297.27 23.07 0 -7 6 274.96 24.98 0 -7 -7 632.44 38.75 0 7 7 619.75 38.93 0 -7 -7 656.24 38.99 0 -7 7 643.54 42.45 0 -7 -7 599.51 37.84 0 -7 7 673.21 39.64 0 7 7 602.76 37.05 0 7 -7 572.98 37.36 0 7 -8 1.74 3.92 0 -7 -8 5.20 3.92 0 7 8 5.59 4.55 0 7 8 6.61 4.31 0 7 -8 5.29 3.99 0 -7 8 2.34 4.82 0 -7 -8 1.78 4.01 0 -7 -8 -1.62 4.50 0 -7 8 1.83 3.38 0 -7 -9 238.83 21.85 0 -7 9 271.93 24.71 0 -7 9 271.05 23.71 0 7 -9 238.18 22.15 0 7 9 279.64 23.28 0 -7 -10 3.42 3.16 0 -7 10 5.62 4.24 0 7 -10 7.17 4.38 0 7 10 8.51 4.97 0 -7 10 6.13 5.34 0 7 -11 5.00 3.44 0 7 11 4.76 3.88 0 -7 -11 -1.61 3.64 0 -7 11 1.92 3.96 0 7 -12 -2.89 3.26 0 7 12 1.37 3.09 0 -7 -12 -2.80 3.88 0 -7 12 1.66 3.43 0 7 -13 3.42 2.79 0 7 13 3.19 2.40 0 -7 13 1.30 2.94 0 -7 -13 -1.10 2.67 0 8 0 44.50 8.71 0 8 0 24.44 6.51 0 -8 0 36.62 7.75 0 -8 0 39.25 7.92 0 -8 1 286.28 22.62 0 -8 -1 304.76 22.58 0 -8 1 278.47 22.65 0 8 1 299.74 23.32 0 8 -1 331.60 24.17 0 8 -1 327.35 24.21 0 8 1 275.37 23.56 0 -8 1 285.45 23.75 0 -8 1 293.07 22.55 0 -8 -1 325.61 23.80 0 -8 -1 274.82 21.51 0 -8 -2 1414.18 66.00 0 -8 2 1333.93 66.04 0 -8 -2 1330.04 64.16 0 -8 2 1245.18 64.44 0 8 2 1302.99 66.36 0 8 -2 1350.11 65.72 0 8 -2 1313.30 64.54 0 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1955.45 82.72 -1 -1 6 1909.17 82.66 1 -1 -5 976.34 44.25 1 1 -5 1012.09 42.72 1 1 -5 971.63 43.21 1 1 -5 1031.22 44.77 1 -1 -5 984.89 44.71 1 -1 -5 994.72 43.57 -1 -1 5 1013.65 42.65 1 1 -5 962.20 42.57 1 -1 -5 975.05 44.01 1 1 -5 972.82 45.12 1 -1 -5 982.98 44.90 -1 -1 5 995.94 41.89 -1 1 5 992.37 44.45 -1 -1 5 996.04 44.67 -1 1 5 1000.79 43.92 1 -1 -4 102.75 8.73 1 1 -4 113.45 7.96 1 1 -4 136.32 8.63 1 -1 -4 112.86 9.15 1 1 -4 113.97 8.83 1 -1 -4 135.36 9.00 -1 -1 4 126.86 8.11 1 1 -4 132.05 8.41 1 -1 -4 130.62 9.28 1 1 -4 111.28 9.13 1 -1 -4 113.26 9.11 -1 -1 4 110.10 7.63 -1 1 4 110.11 8.36 -1 1 4 121.05 9.06 -1 -1 4 115.40 9.07 1 -1 -3 418.03 21.31 1 1 -3 462.40 20.38 1 1 -3 467.61 20.72 1 1 -3 445.73 20.21 1 1 -3 431.03 20.89 1 -1 -3 445.57 21.49 -1 -1 3 484.34 20.28 1 1 -3 450.74 20.43 1 -1 -3 458.59 20.94 1 -1 -3 446.13 21.50 -1 -1 3 462.48 19.39 1 -1 -3 479.50 19.80 1 1 -3 437.09 21.50 1 -1 -3 418.95 21.21 -1 -1 3 455.52 20.20 -1 1 3 465.10 21.37 -1 1 3 509.13 21.07 -1 -1 3 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6 19.74 6.10 4 6 6 22.65 6.37 -4 -6 -6 25.08 6.85 4 -6 6 25.17 6.60 4 6 6 16.31 5.51 4 6 7 11.64 5.38 4 6 7 6.80 4.15 -4 6 -7 12.98 4.97 -4 6 -7 12.79 5.12 -4 -6 -7 9.44 4.60 -4 -6 -7 7.24 4.73 4 6 7 3.55 3.29 4 -6 7 2.23 4.61 -4 -6 -7 1.85 3.83 4 -6 7 5.51 4.16 4 6 7 9.51 4.39 -4 -6 -8 14.91 5.95 -4 -6 -8 30.01 7.76 4 -6 8 28.40 7.96 -4 6 -8 20.65 6.58 4 6 8 17.53 5.86 4 6 8 16.76 5.82 -4 -6 -8 9.68 5.09 4 6 8 18.69 6.25 -4 6 -8 20.56 6.55 -4 -6 -8 9.75 4.54 4 -6 9 234.72 23.56 4 6 9 203.45 20.27 -4 6 -9 241.90 21.64 4 6 9 213.59 21.08 -4 -6 -9 248.50 21.82 -4 -6 -10 216.38 20.32 4 -6 10 194.87 20.52 4 6 10 248.06 20.97 -4 6 -10 170.91 18.26 4 6 10 193.44 19.77 4 -6 10 216.99 20.49 -4 -6 -11 23.58 6.59 4 -6 11 36.27 8.93 -4 6 -11 42.87 8.87 4 6 11 43.47 8.38 4 6 11 20.90 6.57 4 -6 11 34.23 7.90 4 6 12 41.58 7.48 -4 6 -12 36.57 7.55 -4 -6 -12 46.67 8.21 4 -6 12 40.77 8.03 4 -6 12 45.99 8.28 4 -6 13 14.75 4.82 -4 6 -13 13.55 4.10 -4 -6 -13 8.12 3.77 4 -7 -13 14.23 4.03 -4 -7 13 5.58 3.73 4 -7 -12 327.06 24.11 -4 -7 12 453.21 28.75 4 -7 -11 3.10 3.20 4 -7 -10 9.96 4.85 4 -7 -10 -1.72 3.55 4 -7 -9 5.50 4.49 4 -7 -9 12.61 5.26 4 -7 -8 1.90 3.92 4 -7 -8 -1.80 4.08 -4 7 7 53.21 10.38 4 -7 -7 63.09 10.85 -4 -7 7 63.06 11.19 4 7 -7 65.77 10.37 4 -7 -7 65.83 11.21 4 7 -6 429.49 30.07 -4 7 6 442.94 32.18 4 -7 -6 493.42 33.60 -4 7 6 555.56 35.92 -4 -7 6 440.51 31.78 -4 -7 6 552.11 34.66 4 -7 -6 512.48 32.97 4 7 -6 449.43 31.44 4 -7 -5 280.80 22.70 -4 -7 5 312.03 24.32 4 -7 -5 286.07 22.59 4 -7 -5 248.26 21.87 4 7 -5 284.01 23.16 -4 7 5 264.44 22.79 4 -7 -5 268.96 23.25 4 7 -5 262.76 21.18 -4 -7 5 295.89 24.34 4 7 -5 294.60 23.11 -4 7 5 339.50 25.91 -4 -7 4 1800.51 83.87 4 -7 -4 1801.07 83.08 4 7 -4 1740.28 81.22 4 -7 -4 1827.93 84.01 -4 7 4 1923.06 86.31 4 -7 -4 1739.08 83.57 -4 -7 4 1915.85 86.33 4 7 -4 1735.41 82.71 -4 7 4 1929.72 85.29 4 7 -4 1812.44 83.75 4 7 -3 173.42 16.62 4 -7 -3 185.14 17.41 -4 -7 3 181.66 17.07 4 -7 -3 154.63 16.12 -4 7 3 199.89 18.32 -4 7 3 224.20 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2 564.94 34.11 4 7 2 583.73 34.67 4 -7 2 613.06 37.87 -4 -7 -2 661.04 36.09 -4 -7 -2 551.04 34.88 -4 -7 -2 583.25 34.84 4 7 3 881.31 46.72 4 7 3 846.33 44.79 4 -7 3 829.35 45.39 4 7 3 856.58 45.25 -4 7 -3 829.73 45.53 -4 7 -3 838.14 46.25 4 7 3 806.07 45.08 4 -7 3 897.78 49.74 -4 -7 -3 802.83 45.79 -4 -7 -3 897.57 46.24 -4 -7 -3 854.27 45.53 4 7 4 1176.88 59.69 4 7 4 1189.55 62.03 4 7 4 1135.02 57.72 4 -7 4 1191.28 59.05 4 7 4 1068.83 57.34 -4 -7 -4 1250.63 59.74 -4 7 -4 1115.51 58.10 -4 -7 -4 1228.37 61.18 4 -7 4 1305.29 64.75 4 7 4 1181.69 59.38 4 -7 5 304.81 26.70 4 7 5 279.53 22.99 -4 -7 -5 249.63 21.47 4 7 5 293.09 22.47 4 -7 5 286.90 22.94 -4 -7 -5 284.85 24.09 4 7 5 304.91 23.68 -4 -7 -5 231.92 21.07 4 7 5 299.00 25.04 -4 7 -5 279.46 22.33 4 -7 6 84.61 12.03 4 7 6 82.86 13.08 4 7 6 83.23 12.40 -4 -7 -6 76.37 12.27 -4 -7 -6 82.10 12.04 4 -7 6 88.22 14.46 4 7 6 76.62 11.74 4 -7 6 99.16 13.74 4 7 6 80.88 11.33 -4 7 -6 64.34 10.60 -4 -7 -6 81.13 11.59 4 -7 7 67.89 11.06 4 7 7 46.35 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260.76 21.05 10 -2 1 257.17 22.49 10 2 1 230.18 20.68 10 2 1 214.14 19.74 10 2 1 263.85 22.06 10 -2 1 224.64 20.44 10 2 1 255.84 21.79 10 2 1 248.34 22.11 10 -2 1 195.80 19.84 10 2 1 275.62 23.11 10 -2 1 204.66 20.71 10 2 1 292.53 23.67 -10 -2 -1 270.71 24.44 10 2 1 283.80 23.27 10 -2 1 200.15 20.06 10 2 2 47.16 9.22 10 -2 2 41.97 8.51 10 2 2 67.56 10.97 -10 -2 -2 32.19 8.87 -10 2 -2 37.66 9.21 10 -2 2 44.68 9.40 10 -2 2 53.21 10.10 10 2 2 51.23 9.99 10 2 2 30.67 7.99 10 -2 2 52.03 10.13 10 2 2 55.88 10.26 10 -2 2 50.37 10.24 10 2 2 41.32 8.79 10 2 2 54.86 9.73 10 2 3 27.75 7.05 10 2 3 15.77 5.69 10 -2 3 22.40 6.82 10 2 3 44.86 9.27 10 2 3 33.26 7.89 10 -2 3 26.60 7.90 10 -2 3 30.97 7.58 10 2 3 26.54 7.69 10 -2 3 33.78 8.54 10 2 3 32.52 8.56 10 -2 3 34.37 8.87 10 2 3 25.91 7.70 10 2 3 24.34 7.19 10 -2 3 37.38 8.43 -10 -2 -3 30.11 8.34 -10 2 -3 19.09 6.85 10 2 4 801.90 47.13 10 -2 4 712.63 44.50 10 2 4 738.81 44.65 10 2 4 801.45 46.25 10 -2 4 739.22 46.61 10 2 4 795.22 46.47 10 -2 4 730.89 44.36 10 2 4 784.03 46.15 10 2 4 770.42 44.91 10 2 5 119.85 15.21 10 -2 5 87.72 14.33 10 2 5 107.99 14.62 10 2 5 90.37 14.25 10 -2 5 100.71 14.28 10 -2 5 97.62 13.87 10 2 5 95.95 13.89 10 2 5 128.27 15.76 10 2 6 1.92 4.34 10 -2 6 -1.82 4.12 10 2 6 -1.94 5.07 10 2 6 -4.07 6.22 10 -2 6 -1.88 5.48 10 2 7 3.99 4.13 10 -2 7 9.24 5.40 10 -2 7 12.56 5.97 10 2 7 7.62 4.31 10 2 7 5.71 3.94 10 2 8 89.84 13.24 10 -2 8 69.94 11.31 10 -2 8 62.84 11.00 10 2 8 81.96 12.63 10 2 8 90.85 12.94 10 2 9 118.68 13.87 10 2 9 72.23 11.28 10 -2 9 70.00 10.87 10 2 9 84.56 12.06 10 -2 9 90.88 12.49 10 2 10 3.86 3.36 10 2 10 -1.34 4.11 10 -2 10 -1.31 3.81 10 -2 10 1.27 3.31 10 2 10 3.82 3.32 -10 -2 -11 1.85 2.41 -10 2 -11 3.04 2.64 10 -2 11 -0.95 2.64 10 2 11 -0.93 2.85 -10 -2 -11 3.25 2.83 10 2 11 -0.96 2.50 10 2 11 2.96 2.73 10 -2 11 1.96 2.56 10 3 -11 104.97 12.18 10 -3 -10 76.36 10.05 10 3 -10 59.48 10.01 10 3 -9 29.77 7.39 10 3 -9 19.70 6.27 10 -3 -9 26.14 6.64 10 -3 -9 38.09 7.94 10 3 -8 9.24 4.51 10 3 -8 9.65 4.71 10 -3 -8 3.19 3.61 10 -3 -8 1.69 3.49 10 -3 -8 9.67 4.93 10 3 -8 1.73 3.19 10 3 -7 13.67 6.00 10 3 -7 17.83 6.87 10 -3 -7 18.72 6.31 10 3 -7 14.20 5.70 10 -3 -7 11.78 4.94 10 -3 -7 23.69 7.91 10 3 -6 3.93 4.06 10 3 -6 -1.98 4.09 10 3 -6 1.97 4.80 10 -3 -6 1.79 4.04 10 3 -6 1.91 4.66 10 -3 -6 1.72 2.75 10 -3 -6 -1.88 4.24 10 3 -5 235.56 22.01 10 -3 -5 202.75 19.96 10 3 -5 194.61 20.07 10 3 -5 211.15 20.98 10 -3 -5 232.24 21.52 10 -3 -5 218.70 20.47 10 3 -4 9.24 5.66 10 3 -4 1.90 3.92 10 -3 -4 5.07 4.68 10 3 -4 1.82 4.12 -10 -3 4 1.95 4.02 10 -3 -4 -3.42 5.68 10 -3 -4 1.83 3.77 10 3 -3 489.54 34.04 -10 -3 3 474.61 34.46 10 -3 -3 487.74 33.13 10 3 -3 475.87 33.54 10 -3 -3 541.77 34.44 10 -3 -3 539.51 34.84 10 3 -3 557.96 36.03 10 3 -2 50.57 9.42 -10 -3 2 55.18 10.55 10 -3 -2 57.50 9.72 10 3 -2 57.49 10.20 10 3 -2 40.99 9.04 10 -3 -2 57.18 10.22 10 -3 -2 45.55 9.12 10 -3 -2 37.83 8.74 10 3 -1 10.35 5.28 10 -3 -1 9.45 4.37 -10 -3 1 7.56 4.93 10 3 -1 1.72 4.21 10 3 -1 3.25 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21.39 10 3 5 203.45 20.21 10 3 6 5.70 4.96 10 -3 6 12.00 5.25 10 -3 6 1.67 3.78 10 3 6 5.56 4.53 10 3 6 10.70 5.46 10 3 6 5.64 4.59 10 3 7 1.80 3.72 10 3 7 10.96 5.33 10 -3 7 8.31 4.34 10 -3 7 3.24 3.66 10 3 8 14.86 5.72 10 3 8 16.75 5.59 10 -3 8 9.29 4.31 10 -3 8 7.55 4.84 10 -3 9 -1.33 4.60 10 3 9 5.72 3.24 10 3 10 34.65 6.86 -10 -3 -11 75.47 9.02 10 3 11 78.24 8.55 10 4 -11 65.87 8.51 10 4 -11 53.09 8.40 10 4 -10 2.90 3.79 10 4 -10 2.75 3.36 10 4 -9 4.99 4.07 10 4 -9 10.10 4.67 10 4 -8 3.74 3.86 10 4 -8 5.52 4.16 10 -4 -8 3.36 3.80 10 4 -7 11.94 5.22 10 4 -7 17.27 6.15 10 -4 -7 11.03 5.11 10 4 -6 121.09 15.50 10 -4 -6 134.34 16.36 10 4 -6 112.45 15.31 10 4 -6 117.55 15.94 10 4 -5 430.90 32.47 10 -4 -5 466.91 33.32 10 4 -5 458.26 33.54 10 4 -5 490.85 34.01 10 4 -4 388.29 29.90 10 -4 -4 388.58 29.98 10 4 -4 442.37 31.75 10 4 -4 403.61 30.41 10 4 -3 313.42 26.05 10 4 -3 361.66 27.62 10 -4 -3 285.82 25.06 10 4 -3 347.72 27.28 10 4 -2 207.67 20.10 10 -4 -2 219.46 20.24 10 4 -2 219.89 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5.49 3.53 10 4 10 13.70 3.95 10 5 -11 12.63 3.74 10 5 -11 20.60 4.69 10 5 -10 41.59 7.71 10 5 -10 46.12 7.74 10 -5 -9 1.35 3.29 10 5 -9 1.49 3.37 10 5 -9 -1.57 2.90 10 -5 -8 1.60 3.30 10 5 -8 -1.80 3.31 10 5 -8 -1.67 3.76 10 -5 -7 64.19 11.40 10 5 -7 58.63 10.63 10 5 -7 67.60 11.92 10 -5 -6 175.68 18.89 10 5 -6 180.77 19.59 10 5 -6 172.53 18.62 10 5 -6 143.18 17.12 10 -5 -5 115.31 15.72 10 5 -5 140.37 16.94 10 5 -5 128.04 16.23 10 5 -5 150.27 16.87 10 -5 -4 70.03 12.14 10 5 -4 79.66 12.13 10 5 -4 79.09 12.61 10 5 -4 72.40 12.21 10 5 -4 60.56 11.16 10 -5 -3 132.79 16.22 10 5 -3 130.60 15.96 10 5 -3 141.84 16.98 10 5 -3 156.43 17.41 10 5 -3 137.10 16.29 10 -5 -2 201.23 19.26 10 5 -2 191.73 19.63 10 5 -2 197.34 19.74 10 5 -2 170.07 18.32 10 5 -2 185.82 18.94 10 5 -1 14.58 6.09 10 5 -1 17.90 5.98 10 5 -1 16.37 6.94 10 5 -1 9.38 6.02 10 5 -1 17.53 6.29 10 5 0 16.44 6.55 10 5 0 19.55 6.59 10 5 0 12.67 6.05 10 5 0 24.50 7.40 10 5 0 13.72 5.28 10 5 1 66.25 11.47 10 5 1 54.88 10.30 10 5 1 61.37 10.75 10 5 1 58.95 11.31 10 5 1 54.04 9.60 10 5 2 113.39 14.58 10 5 2 88.26 12.75 10 5 2 113.37 14.48 10 5 2 94.30 13.92 10 5 3 164.41 18.35 10 5 3 224.88 20.54 10 5 3 178.86 19.55 10 5 4 8.96 4.96 10 5 4 1.95 4.02 10 5 4 3.50 3.96 10 5 5 186.72 18.84 10 5 5 184.36 19.34 10 5 5 156.57 17.17 10 5 6 222.07 19.83 10 5 6 186.21 19.18 10 5 6 170.73 17.46 10 5 7 44.12 8.72 10 5 7 45.95 8.56 10 5 7 54.56 9.98 10 5 8 9.01 4.17 10 5 8 8.75 4.17 10 5 9 27.31 6.35 10 5 9 25.64 5.52 10 5 10 29.22 5.06 10 5 10 24.45 5.08 10 6 -10 16.10 4.59 10 6 -10 16.52 4.58 10 6 -9 53.25 8.43 10 6 -9 49.87 8.66 10 -6 -9 42.02 7.48 10 6 -8 383.94 26.12 10 6 -8 376.50 27.07 10 -6 -8 334.04 24.97 10 6 -7 166.84 16.73 10 -6 -7 148.17 16.53 10 6 -7 172.42 18.04 10 -6 -6 3.55 4.34 10 6 -6 8.27 4.83 10 6 -6 5.52 4.16 10 -6 -5 43.96 9.57 10 6 -5 54.92 9.66 10 6 -5 53.93 10.30 10 6 -5 38.84 9.20 10 -6 -4 -1.82 4.12 10 6 -4 3.68 3.39 10 6 -4 1.87 3.45 10 6 -4 1.75 3.24 10 6 -4 -1.87 3.87 10 -6 -3 10.59 5.87 10 6 -3 8.88 5.43 10 6 -3 -1.87 3.45 10 6 -3 -1.88 3.47 10 6 -3 -1.80 3.71 10 6 -2 19.66 6.65 10 6 -2 18.50 6.66 10 6 -2 22.61 7.00 10 6 -2 27.97 7.08 10 6 -1 188.59 19.66 10 6 -1 198.73 19.52 10 6 -1 156.48 17.88 10 6 -1 183.62 18.37 10 6 0 678.96 41.39 10 6 0 656.22 41.19 10 6 0 619.83 40.29 10 6 0 706.53 42.54 10 6 1 75.79 12.65 10 6 1 93.77 13.25 10 6 1 91.95 12.94 10 6 2 -1.89 4.28 10 6 2 -1.74 3.21 10 6 2 -1.80 3.71 10 6 2 -1.73 3.19 10 6 3 1.88 3.88 10 6 3 5.30 4.32 10 6 3 6.69 4.63 10 6 4 -1.84 3.40 10 6 4 1.60 4.17 10 6 4 3.43 3.53 10 6 5 38.91 8.70 10 6 5 25.41 6.70 10 6 5 27.64 6.80 10 6 6 11.55 5.28 10 6 6 5.45 3.57 10 6 6 7.51 4.16 10 6 7 129.47 13.51 10 6 7 186.56 17.27 10 6 7 170.92 15.92 10 6 8 277.06 20.74 10 6 9 6.07 3.37 10 7 -9 82.14 9.83 10 -7 -9 67.99 8.69 10 7 -8 11.92 4.25 10 -7 -8 7.44 3.64 10 7 -7 127.47 14.30 10 -7 -7 121.88 13.94 10 7 -6 95.31 12.15 10 7 -6 87.09 12.54 10 -7 -6 100.64 13.04 10 7 -5 -1.49 3.08 10 7 -5 6.99 4.56 10 7 -5 6.54 3.99 10 -7 -5 1.65 3.73 10 7 -4 12.52 4.83 10 7 -4 23.45 7.09 10 7 -4 18.12 5.92 10 -7 -4 20.00 5.79 10 -7 -3 24.45 7.06 10 7 -3 16.17 5.18 10 7 -3 1.82 4.45 10 7 -3 3.54 3.66 10 7 -2 59.80 10.57 10 7 -2 67.81 11.17 10 7 -1 368.25 28.03 10 7 -1 361.83 27.83 10 7 0 -3.51 3.24 10 7 0 23.28 6.40 10 7 1 227.68 21.01 10 7 1 248.93 22.23 10 7 2 80.60 12.54 10 7 2 73.01 11.40 10 7 2 78.02 11.99 10 7 2 78.62 11.32 10 7 3 34.09 8.16 10 7 3 33.40 8.14 10 7 3 59.50 9.72 10 7 4 32.57 7.57 10 7 4 23.71 6.59 10 7 4 23.52 6.20 10 7 5 8.76 4.05 10 7 5 4.56 4.21 10 7 6 94.12 11.66 10 7 6 96.07 11.86 10 7 7 120.85 12.35 10 7 7 116.71 12.33 10 7 8 1.96 2.55 10 8 -8 1.99 2.25 10 8 -8 4.87 2.69 10 -8 -8 0.98 2.39 10 8 -7 38.24 7.18 10 8 -7 27.10 5.89 10 -8 -7 20.88 5.44 10 8 -6 67.89 10.18 10 -8 -6 54.52 8.67 10 8 -5 12.33 4.72 10 -8 -5 1.39 3.84 10 8 -4 27.55 7.23 10 -8 -4 22.75 6.36 10 8 -3 34.86 7.91 10 8 -2 278.66 23.23 10 8 -1 129.03 15.09 10 8 0 19.45 6.56 10 8 1 50.26 9.01 10 8 2 102.08 12.89 10 8 2 97.17 12.81 -10 -8 -2 90.32 13.66 10 8 3 16.55 5.76 -10 -8 -3 22.08 7.43 10 8 4 13.90 5.00 -10 -8 -4 20.21 7.14 10 8 5 17.44 5.17 -10 -8 -5 10.53 4.84 10 8 6 91.18 10.41 -10 -8 -6 82.31 11.12 -10 -8 -7 17.46 4.98 10 9 -7 14.92 3.88 10 -9 -7 12.61 3.59 10 9 -6 15.52 4.47 10 -9 -6 7.76 3.37 10 9 -5 1.24 3.03 10 9 -4 4.00 3.48 10 9 -3 6.95 3.64 10 9 -2 117.43 13.12 10 9 -1 9.88 4.14 10 9 0 9.68 4.44 10 9 1 1.33 2.45 -10 -9 -1 -1.75 3.61 10 9 2 75.15 10.51 -10 -9 -2 109.81 13.94 10 9 3 5.06 3.09 -10 -9 -3 1.54 3.75 10 9 4 2.27 2.57 -10 -9 -4 11.02 4.58 10 9 5 0.98 2.02 -10 -9 -5 1.20 2.71 -10 -9 -6 20.08 4.87 10 10 -5 162.67 13.11 10 10 -4 15.66 4.18 -10 -10 3 176.85 15.35 10 10 -3 153.03 13.73 10 10 -2 23.62 5.24 -10 -10 2 32.10 6.81 10 10 -1 18.31 4.82 -10 -10 1 20.15 5.50 10 10 0 4.20 2.75 -10 -10 0 14.89 5.13 10 10 1 4.54 2.78 -10 -10 -1 8.26 3.62 -10 -10 -1 9.46 4.33 10 10 2 81.74 9.78 -10 -10 -2 81.48 9.82 -10 -10 -2 101.79 11.71 -10 -10 -3 307.31 20.94 10 10 3 255.41 18.26 -10 -10 -4 10.11 3.62 10 10 4 6.57 2.85 10 11 -1 32.51 5.26 -10 -11 1 26.93 5.19 10 11 0 -0.81 1.67 -10 -11 0 3.42 2.62 11 0 -11 7.62 3.34 11 0 -10 -1.39 2.87 11 0 -9 14.76 5.89 11 0 -8 1.82 3.36 11 0 -7 623.48 40.22 11 0 -6 1.95 4.02 11 0 -6 1.98 4.08 11 0 -5 11.58 5.35 11 0 -5 6.87 5.26 11 0 -5 1.96 4.44 11 0 -4 1.89 3.49 11 0 -4 1.74 3.21 11 0 -4 -1.92 5.02 11 0 -3 42.44 9.17 11 0 -3 52.51 9.71 11 0 -3 46.95 9.80 11 0 -2 1.76 3.62 11 0 -2 -3.62 5.79 11 0 -2 -3.69 6.36 11 0 -2 -1.79 3.69 11 0 -1 21.37 6.97 11 0 -1 19.38 6.33 11 0 -1 19.74 7.05 11 0 -1 20.05 6.32 11 0 -1 9.18 5.39 11 0 0 1.95 4.02 11 0 0 -1.77 4.89 11 0 0 3.59 4.97 11 0 0 1.82 4.76 11 0 0 -1.88 3.48 11 0 1 1299.85 65.34 11 0 1 1222.44 65.39 11 0 1 1274.26 66.06 11 0 1 1204.93 64.32 11 0 2 3.69 4.82 11 0 2 2.00 4.89 11 0 2 -1.87 4.58 11 0 2 1.95 4.01 11 0 3 16.47 6.60 11 0 3 17.22 7.08 11 0 3 13.89 6.10 11 0 4 -2.10 4.33 11 0 4 1.95 4.02 11 0 4 2.02 4.16 11 0 5 -2.11 4.35 11 0 5 1.96 4.04 11 0 5 2.03 3.24 11 0 6 -2.06 4.65 11 0 6 -1.93 4.35 11 0 6 2.00 4.13 11 0 7 76.08 11.59 11 0 7 64.18 11.12 11 0 7 62.87 11.26 11 0 8 3.01 3.67 11 0 8 1.66 4.06 11 0 8 -1.73 3.56 11 0 9 253.40 19.80 11 0 9 249.61 20.87 11 0 9 253.83 20.58 11 0 10 0.98 2.39 11 0 10 -1.14 2.99 11 0 10 2.20 2.68 11 1 -11 2.15 2.97 11 -1 -11 2.07 2.53 11 1 -10 1.38 3.37 11 -1 -10 1.33 3.24 11 1 -9 21.24 6.62 11 -1 -9 21.99 6.84 11 1 -8 47.14 9.06 11 1 -8 39.85 8.98 11 -1 -8 40.30 8.84 11 1 -7 73.67 11.99 11 1 -7 76.32 12.32 11 -1 -7 100.62 13.98 11 -1 -6 558.35 39.14 11 1 -6 648.33 41.65 11 1 -6 654.22 40.49 11 1 -6 649.76 40.94 11 -1 -6 649.17 40.86 11 -1 -6 656.94 40.19 11 -1 -5 7.74 5.07 11 1 -5 11.87 6.85 11 1 -5 18.30 6.77 11 1 -5 15.31 6.62 11 -1 -5 11.46 5.86 11 -1 -5 12.60 5.77 11 1 -5 14.72 6.14 11 -1 -4 1.90 3.93 11 1 -4 1.94 4.38 11 1 -4 1.80 3.71 11 1 -4 3.63 3.35 11 1 -4 7.29 5.05 11 1 -4 3.74 4.23 11 -1 -4 9.42 5.22 11 1 -4 3.36 3.80 11 -1 -4 3.62 4.42 11 1 -3 25.01 7.07 11 -1 -3 31.66 8.48 11 1 -3 32.16 8.44 11 1 -3 35.12 8.64 11 1 -3 25.85 7.50 11 -1 -3 24.08 7.53 11 1 -3 20.07 6.60 11 1 -3 34.15 7.95 11 -1 -3 39.61 8.85 11 1 -2 26.51 7.32 11 -1 -2 23.79 7.00 11 1 -2 22.24 7.08 11 1 -2 13.75 5.54 11 1 -2 13.04 5.20 11 1 -2 13.87 6.23 11 -1 -2 16.06 6.41 11 -1 -2 23.78 7.19 11 1 -2 28.64 7.78 11 -1 -1 56.51 10.33 11 -1 -1 80.02 12.45 11 1 -1 76.11 12.02 11 -1 -1 65.64 11.66 11 1 -1 54.64 11.21 11 1 -1 55.85 10.17 11 -1 -1 76.14 12.41 11 1 -1 56.81 10.70 11 1 -1 71.50 12.02 11 1 -1 72.44 11.66 11 -1 0 80.25 12.28 11 -1 0 89.56 13.37 11 1 0 77.90 12.34 11 -1 0 69.62 12.05 11 1 0 91.88 13.56 11 1 0 102.96 14.15 11 -1 0 47.10 10.02 11 1 0 75.08 12.40 11 1 0 96.55 13.30 11 -1 1 7.57 4.63 11 1 1 9.70 5.38 11 -1 1 12.77 5.84 11 1 1 3.70 4.83 11 -1 1 20.60 6.54 11 -1 1 16.66 6.17 11 1 1 1.79 4.05 11 1 2 651.42 40.05 11 -1 2 453.99 35.27 11 -1 2 572.66 38.60 11 1 2 597.75 39.01 11 -1 2 587.92 37.78 11 1 2 560.74 37.61 11 -1 2 590.57 38.28 11 1 2 576.42 37.39 11 1 3 95.88 14.25 11 -1 3 93.23 13.75 11 1 3 94.03 12.98 11 1 3 80.70 13.02 11 -1 3 58.17 10.97 11 -1 3 90.36 14.00 11 1 3 82.61 13.62 11 1 4 8.13 5.31 11 -1 4 11.77 6.00 11 1 4 1.77 3.28 11 -1 4 7.59 4.29 11 1 4 5.86 4.78 11 -1 4 2.11 4.36 11 1 4 4.07 5.31 11 1 5 89.90 13.83 11 -1 5 80.46 12.94 11 1 5 85.20 12.80 11 -1 5 87.27 13.13 11 1 5 92.30 13.68 11 -1 5 72.61 13.00 11 1 5 93.04 13.95 11 1 6 46.22 10.10 11 -1 6 42.29 9.50 11 1 6 30.64 8.11 11 -1 6 31.58 7.81 11 1 6 50.09 9.85 11 1 6 54.83 10.94 11 1 7 9.53 5.28 11 -1 7 3.65 4.77 11 -1 7 5.29 3.99 11 1 7 7.30 5.06 11 1 7 5.16 4.77 11 1 8 37.77 8.41 11 -1 8 11.58 4.87 11 -1 8 14.38 5.36 11 1 8 32.83 7.75 11 1 8 15.53 5.59 11 1 9 4.34 3.53 11 -1 9 1.41 2.90 11 -1 9 1.36 3.55 11 1 9 5.52 3.60 11 1 9 3.92 3.62 11 -1 10 99.63 10.85 11 1 10 76.42 9.45 11 1 10 79.13 10.03 11 -1 10 83.44 10.00 11 1 10 86.46 9.65 11 -2 -11 99.80 10.29 11 2 -11 109.86 10.95 11 2 -11 116.65 11.34 11 2 -10 39.92 7.37 11 -2 -10 37.07 6.95 11 2 -10 41.49 7.61 11 2 -9 1.54 3.48 11 -2 -9 7.18 4.39 11 2 -9 3.13 2.89 11 2 -8 75.60 11.70 11 -2 -8 85.99 12.06 11 2 -8 79.32 12.10 11 2 -7 7.28 4.44 11 -2 -7 5.25 4.57 11 -2 -7 -1.72 2.76 11 2 -7 1.88 3.88 11 2 -7 1.73 3.91 11 2 -6 90.61 13.28 11 2 -6 108.69 14.23 11 -2 -6 67.80 12.52 11 2 -6 107.23 15.17 11 2 -6 96.59 13.71 11 -2 -6 92.92 13.26 11 -2 -6 98.79 13.73 11 2 -5 138.48 17.06 11 -2 -5 116.99 15.45 11 2 -5 124.73 16.33 11 2 -5 131.30 16.29 11 -2 -5 136.90 16.38 11 -2 -5 146.18 17.19 11 2 -5 167.59 18.12 11 2 -5 170.85 18.17 11 2 -4 5.68 5.24 11 2 -4 7.66 5.00 11 -2 -4 3.73 3.85 11 2 -4 3.89 4.75 11 2 -4 1.86 3.84 11 2 -4 1.82 3.36 11 -2 -4 11.11 5.13 11 -2 -4 1.88 3.46 11 -2 -3 394.28 30.13 11 2 -3 440.78 30.73 11 2 -3 416.03 30.98 11 -2 -3 384.45 29.51 11 2 -3 427.11 31.07 11 2 -3 441.49 31.48 11 -2 -3 397.72 30.32 11 2 -3 366.49 28.94 11 -2 -2 225.64 21.35 11 2 -2 202.15 19.94 11 2 -2 223.16 21.16 11 -2 -2 200.19 20.09 11 2 -2 251.12 22.27 11 2 -2 247.16 22.49 11 -2 -2 201.03 20.23 11 2 -2 223.80 20.92 11 2 -1 47.31 9.70 11 2 -1 32.12 8.13 11 -2 -1 19.62 6.86 11 2 -1 20.17 7.05 11 2 -1 39.80 9.14 11 -2 -1 26.49 7.71 11 -2 -1 42.26 9.34 11 2 -1 29.62 8.10 11 2 -1 19.45 5.88 11 2 0 51.20 9.97 11 2 0 51.43 9.68 11 -2 0 42.68 9.13 11 2 0 31.06 8.25 11 -2 0 51.53 9.78 11 -2 0 44.48 9.81 11 2 0 34.86 8.51 11 2 0 51.05 9.51 11 2 0 45.56 9.73 11 2 1 14.20 5.45 11 -2 1 12.49 6.40 11 2 1 29.44 7.98 11 2 1 7.64 5.31 11 -2 1 14.98 5.56 11 -2 1 9.41 6.03 11 2 1 8.78 5.40 11 2 1 23.64 6.99 11 2 2 178.65 19.21 11 -2 2 178.15 18.69 11 2 2 144.46 17.52 11 -2 2 147.20 17.13 11 2 2 177.00 18.43 11 2 2 174.24 18.18 11 2 2 169.44 18.04 11 -2 2 165.14 18.52 11 2 2 185.01 18.81 11 2 3 135.13 15.83 11 2 3 136.27 17.31 11 -2 3 128.75 16.17 11 -2 3 153.82 18.22 11 2 3 153.24 17.67 11 -2 3 128.23 15.88 11 2 3 145.69 17.19 11 2 3 177.97 18.01 11 2 3 127.56 16.07 11 2 4 67.00 11.23 11 2 4 71.90 12.37 11 -2 4 70.89 11.59 11 -2 4 68.69 11.49 11 2 4 95.57 13.69 11 2 4 68.13 11.70 11 2 4 73.91 11.94 11 -2 4 75.69 12.93 11 2 4 60.11 11.34 11 2 5 284.71 24.90 11 -2 5 258.05 22.89 11 -2 5 244.87 22.50 11 2 5 281.52 24.40 11 2 5 237.62 22.07 11 2 5 257.70 23.07 11 2 5 246.13 23.23 11 2 6 183.83 19.53 11 -2 6 157.14 17.50 11 2 6 212.55 19.84 11 2 6 168.63 18.43 11 -2 6 149.20 17.07 11 2 6 175.56 18.74 11 2 6 169.90 18.40 11 2 7 28.98 7.87 11 -2 7 5.04 4.15 11 -2 7 32.63 7.71 11 2 7 20.72 6.60 11 2 7 34.06 8.19 11 2 7 22.50 6.83 11 2 8 4.82 3.63 11 -2 8 4.53 4.40 11 -2 8 4.40 3.58 11 2 8 -1.53 2.82 11 2 8 1.52 3.13 11 2 9 23.94 6.18 11 -2 9 17.83 5.81 11 -2 9 18.56 5.53 11 2 9 18.92 5.64 11 2 9 29.05 6.43 11 2 10 32.01 6.04 11 -2 10 34.25 6.12 11 -2 10 40.03 6.47 11 2 10 36.84 6.04 11 2 10 29.82 5.55 11 3 -11 26.55 5.41 11 3 -10 373.41 25.23 11 3 -9 18.60 6.12 11 3 -9 23.52 6.30 11 3 -8 1.76 3.24 11 3 -8 -1.63 3.02 11 -3 -8 1.43 2.65 11 -3 -8 -1.55 3.78 11 3 -7 1.89 4.27 11 3 -7 5.44 4.11 11 -3 -7 3.16 3.58 11 -3 -7 8.73 4.83 11 3 -6 3.89 4.41 11 3 -6 5.77 3.98 11 -3 -6 16.80 6.01 11 -3 -6 11.20 5.97 11 3 -5 13.68 5.44 11 3 -5 25.58 7.94 11 -3 -5 16.11 6.84 11 3 -5 17.43 6.47 11 3 -5 17.15 6.12 11 3 -5 13.81 5.32 11 -3 -5 15.67 6.25 11 -3 -5 17.28 6.89 11 3 -4 1.94 3.57 11 3 -4 7.87 4.45 11 -3 -4 1.92 5.60 11 -3 -4 1.77 3.27 11 3 -4 -1.72 3.55 11 -3 -4 1.78 3.68 11 3 -4 3.80 4.29 11 3 -3 81.69 13.11 11 -3 -3 71.49 12.22 11 -3 -3 69.91 11.90 11 -3 -3 84.42 12.87 11 3 -3 75.32 12.35 11 3 -3 70.45 11.98 11 -3 -2 786.10 47.43 11 3 -2 886.59 50.17 11 3 -2 871.35 50.20 11 3 -2 864.85 49.67 11 -3 -2 873.18 49.60 11 -3 -2 901.11 49.97 11 -3 -1 15.79 6.28 11 -3 -1 9.11 6.30 11 3 -1 17.01 6.54 11 3 -1 14.92 5.97 11 3 -1 5.18 3.93 11 -3 -1 10.30 5.02 11 3 -1 11.14 5.15 11 -3 0 10.08 4.90 11 -3 0 1.85 5.11 11 3 0 1.87 2.99 11 3 0 -1.87 4.22 11 3 0 1.75 3.23 11 -3 0 1.70 3.15 11 3 0 12.97 6.17 11 -3 1 -3.75 6.00 11 3 1 -1.86 3.44 11 3 1 -1.73 3.20 11 3 1 -1.78 2.84 11 3 1 -1.86 2.98 11 -3 1 -1.70 4.15 11 -3 2 30.61 8.67 11 3 2 22.43 6.96 11 3 2 18.53 6.24 11 3 2 7.45 4.58 11 3 2 10.89 5.05 11 -3 2 15.27 5.45 11 3 2 16.87 6.02 11 3 3 54.16 10.25 11 3 3 54.88 10.80 11 -3 3 59.08 10.45 11 3 3 40.77 9.41 11 3 3 47.95 9.67 11 3 3 56.64 10.77 11 -3 3 60.80 10.29 11 3 4 24.94 7.37 11 3 4 5.67 4.95 11 -3 4 6.86 4.77 11 3 4 27.44 7.75 11 3 4 22.24 7.07 11 -3 4 6.68 4.10 11 3 4 22.68 7.41 11 3 5 138.71 16.12 11 -3 5 110.38 14.27 11 3 5 112.98 14.80 11 3 5 156.52 17.44 11 3 5 129.69 15.73 11 -3 5 110.71 14.17 11 3 5 111.87 14.80 11 3 6 483.63 32.89 11 -3 6 462.63 31.47 11 3 6 461.35 32.70 11 3 6 515.67 34.11 11 -3 6 418.71 30.21 11 3 6 547.43 33.95 11 3 7 11.25 4.70 11 3 7 9.88 5.05 11 -3 7 10.07 4.61 11 -3 7 2.95 3.61 11 -3 8 12.73 4.70 11 3 8 4.21 3.43 11 3 8 2.87 2.96 11 3 9 1.15 2.37 11 3 9 -1.15 2.38 -11 -3 -10 44.84 6.92 11 3 10 60.93 7.38 11 4 -10 39.80 7.46 11 4 -10 59.05 8.11 11 4 -9 112.55 13.38 11 4 -9 139.85 14.33 11 -4 -8 1.49 3.37 11 4 -8 1.66 3.42 11 4 -8 1.63 3.36 11 -4 -7 1.70 3.85 11 4 -7 -1.80 3.33 11 4 -7 -1.82 3.75 11 -4 -6 60.86 10.84 11 4 -6 58.52 10.95 11 4 -6 54.06 10.30 11 4 -5 1.92 3.97 11 4 -5 9.87 5.16 11 4 -5 3.80 4.64 11 -4 -5 1.91 3.95 11 4 -4 260.26 23.91 11 4 -4 258.21 23.37 11 4 -4 233.11 22.70 11 -4 -4 251.08 23.35 11 4 -3 467.82 33.02 11 4 -3 436.37 32.19 11 4 -3 450.04 32.45 11 -4 -3 416.38 31.38 11 4 -2 138.81 16.84 11 4 -2 183.35 19.22 11 4 -2 167.26 18.57 11 -4 -2 180.45 18.94 11 4 -1 244.18 22.18 11 4 -1 242.29 22.29 11 4 -1 262.45 22.27 11 4 -1 202.24 20.76 11 -4 -1 173.54 19.04 11 4 0 7.33 4.79 11 4 0 5.47 5.05 11 4 0 9.55 5.29 11 4 0 1.89 4.27 11 4 0 5.28 4.30 11 4 1 -1.81 3.34 11 4 1 1.83 3.78 11 4 1 1.92 3.54 11 4 1 -1.77 2.83 11 4 2 44.60 9.35 11 4 2 49.68 9.93 11 4 2 59.79 11.13 11 4 2 50.44 9.81 11 4 3 21.03 6.51 11 4 3 23.83 7.01 11 4 3 25.11 7.17 11 4 3 14.10 5.91 11 4 4 142.19 16.71 11 4 4 170.99 18.09 11 4 4 139.68 16.27 11 4 5 273.62 23.46 11 4 5 275.03 23.78 11 4 5 343.06 26.68 11 4 6 131.04 15.25 11 4 6 153.24 17.38 11 4 6 145.13 15.71 11 4 7 76.54 11.22 11 4 7 66.55 10.06 11 4 8 -1.23 2.79 11 4 8 1.36 2.51 11 4 9 27.60 5.72 11 4 9 35.54 6.46 11 5 -10 12.85 4.01 11 5 -10 16.25 4.35 11 -5 -9 40.68 7.16 11 5 -9 41.42 7.70 11 5 -9 60.93 8.93 11 -5 -8 6.87 4.76 11 5 -8 10.29 4.51 11 5 -8 12.24 4.70 11 -5 -7 -4.78 3.89 11 5 -7 -1.72 3.56 11 5 -6 113.33 14.47 11 -5 -6 101.30 13.67 11 5 -6 105.14 14.37 11 5 -5 3.62 3.34 11 5 -5 -1.90 3.51 11 5 -5 1.85 4.18 11 -5 -5 -1.83 3.78 11 5 -4 116.24 15.52 11 5 -4 139.61 16.42 11 5 -4 99.75 14.08 11 -5 -4 112.75 15.18 11 5 -3 31.83 7.90 11 5 -3 37.27 8.49 11 5 -3 32.40 8.50 11 -5 -3 21.75 7.17 11 5 -3 22.58 7.23 11 5 -2 65.44 11.29 11 5 -2 69.63 11.30 11 5 -2 68.23 11.40 11 5 -2 59.36 11.28 11 -5 -2 55.68 10.29 11 5 -1 270.43 23.63 11 5 -1 244.10 23.16 11 5 -1 276.82 23.62 11 5 -1 290.00 24.31 11 5 0 10.58 4.88 11 5 0 5.52 4.16 11 5 0 9.63 5.33 11 5 0 1.87 4.23 11 5 0 1.78 3.28 11 5 1 79.23 11.68 11 5 1 71.17 11.99 11 5 1 65.55 11.58 11 5 1 70.40 11.24 11 5 1 89.97 12.77 11 5 2 85.61 12.60 11 5 2 104.21 14.12 11 5 2 83.65 12.43 11 5 2 117.30 15.15 11 5 3 7.00 4.57 11 5 3 6.91 4.79 11 5 3 3.81 4.31 11 5 4 8.37 5.14 11 5 4 6.72 4.40 11 5 4 22.29 6.65 11 5 5 12.52 4.82 11 5 5 11.18 4.91 11 5 5 23.04 7.51 11 5 6 39.75 7.72 11 5 6 47.11 8.66 11 5 6 58.93 9.94 11 5 7 106.48 12.06 11 5 7 123.02 13.87 11 5 8 6.03 3.55 11 5 8 20.50 4.75 11 5 9 30.55 5.61 11 5 9 36.06 5.55 11 6 -9 2.00 2.26 11 -6 -9 1.87 2.12 11 6 -9 5.39 3.15 11 6 -8 110.58 12.02 11 -6 -8 101.71 11.70 11 6 -8 116.96 12.97 11 6 -7 205.21 18.51 11 -6 -7 230.03 19.22 11 6 -7 235.86 20.07 11 6 -6 6.07 4.20 11 -6 -6 1.57 4.10 11 6 -6 1.65 3.41 11 6 -5 -1.62 3.65 11 6 -5 5.18 4.78 11 -6 -5 1.67 3.08 11 6 -5 6.90 4.21 11 6 -4 15.40 6.13 11 6 -4 13.47 5.83 11 6 -4 17.91 6.42 11 -6 -4 8.51 5.23 11 6 -4 12.25 5.38 11 6 -3 -1.73 2.76 11 6 -3 7.03 4.59 11 6 -3 3.66 4.14 11 -6 -3 -1.68 3.10 11 6 -3 -1.74 3.94 11 6 -2 1.72 3.17 11 6 -2 -1.77 2.83 11 6 -2 1.76 3.25 11 6 -2 9.26 4.83 11 6 -1 13.44 5.82 11 6 -1 12.44 5.21 11 6 -1 10.57 5.16 11 6 -1 16.76 6.21 11 6 0 521.84 33.45 11 6 0 467.39 32.39 11 6 0 453.07 32.88 11 6 1 474.79 31.67 11 6 1 381.21 29.32 11 6 1 417.31 30.40 11 6 1 487.22 33.07 11 6 2 3.34 4.08 11 6 2 3.37 3.12 11 6 2 5.48 4.13 11 6 3 3.17 3.28 11 6 3 4.91 3.70 11 6 3 1.78 4.02 11 6 4 -1.48 2.73 11 6 4 -1.56 3.80 11 6 4 -3.40 3.84 11 6 5 -1.34 2.77 11 6 5 5.77 3.99 11 6 5 -4.74 4.37 11 6 6 11.83 4.40 11 6 6 15.51 4.80 11 6 6 14.20 5.42 11 6 7 9.75 4.05 11 6 7 -1.00 2.60 11 6 8 134.56 11.58 11 6 8 171.76 13.88 11 -7 -8 64.93 8.35 11 7 -8 84.49 9.67 11 7 -7 176.73 14.94 11 -7 -7 149.80 14.59 11 7 -7 184.14 15.95 11 7 -6 113.00 12.18 11 7 -6 86.51 11.32 11 -7 -6 94.11 11.80 11 7 -6 108.94 12.41 11 7 -5 92.70 11.72 11 7 -5 98.34 12.60 11 -7 -5 97.13 12.19 11 7 -5 81.11 11.21 11 7 -4 25.47 6.97 11 7 -4 25.82 6.29 11 7 -4 34.96 8.10 11 -7 -4 35.41 7.65 11 7 -4 23.91 6.10 11 7 -3 1.51 3.41 11 7 -3 1.50 3.10 11 7 -3 3.29 3.40 11 7 -3 3.29 3.40 11 7 -2 -1.55 3.51 11 7 -2 -1.67 3.07 11 7 -2 -1.68 3.80 11 7 -1 24.85 6.89 11 7 -1 22.05 7.05 11 7 0 118.74 14.56 11 7 0 128.51 15.01 11 7 0 141.99 15.93 11 7 1 215.88 19.31 11 7 1 194.22 18.24 11 7 1 159.98 17.62 11 7 2 187.70 18.18 11 7 2 192.61 18.78 11 7 3 21.68 6.19 11 7 3 20.82 6.20 11 7 3 33.95 7.59 11 7 4 8.60 3.78 11 7 4 11.05 4.95 11 7 4 10.06 4.61 11 7 5 9.74 3.75 11 7 5 8.72 4.16 11 7 5 5.20 4.65 11 7 6 1.08 2.45 11 7 6 1.13 2.33 11 7 7 62.43 7.93 11 -8 -7 8.83 3.17 11 8 -7 9.55 3.60 11 -8 -6 1.03 2.68 11 8 -6 3.30 2.69 11 -8 -5 192.65 15.92 11 8 -5 195.16 16.75 11 8 -4 84.80 11.23 11 8 -3 22.93 6.12 11 8 -2 29.23 6.83 11 8 -1 112.33 13.22 11 8 0 101.54 12.37 11 8 0 86.21 11.87 11 8 1 2.76 2.84 11 8 1 1.43 3.50 11 8 2 16.43 5.09 11 8 3 130.27 13.83 11 8 4 150.46 14.19 -11 -8 -4 153.21 15.24 11 8 5 29.31 5.85 -11 -8 -5 28.61 6.41 -11 -8 -6 1.00 2.43 11 9 -5 23.79 4.97 11 9 -4 5.31 3.25 11 9 -3 135.86 13.01 11 9 -2 47.90 7.75 11 9 -1 32.84 6.81 11 9 -1 43.22 7.48 11 9 0 1.15 2.12 11 9 0 1.21 2.49 11 9 1 3.52 3.06 11 9 2 4.42 3.54 11 9 3 124.09 11.86 11 9 4 2.65 2.31 -11 -9 -4 -1.03 2.52 11 10 -2 17.08 3.95 -11 -10 2 18.70 4.77 11 10 -1 61.11 7.67 -11 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12 1 -9 1.34 3.04 12 -1 -9 11.60 4.61 12 1 -8 40.92 8.36 12 -1 -8 42.45 8.42 12 1 -7 19.12 6.24 12 -1 -7 13.51 5.43 12 1 -6 9.19 4.82 12 -1 -6 19.86 6.47 12 -1 -6 17.03 6.31 12 1 -5 320.63 25.35 12 -1 -5 357.35 27.40 12 -1 -5 334.69 27.05 12 1 -5 355.97 27.86 12 -1 -5 331.79 27.41 12 1 -5 341.27 27.61 12 1 -4 476.80 31.80 12 1 -4 415.24 30.04 12 1 -4 396.39 29.27 12 -1 -4 401.80 30.21 12 -1 -4 371.57 29.87 12 1 -4 392.66 30.62 12 -1 -4 432.56 31.16 12 1 -4 404.95 30.40 12 -1 -3 42.29 10.01 12 1 -3 56.45 11.04 12 1 -3 46.33 9.81 12 -1 -3 33.88 8.83 12 -1 -3 41.85 9.26 12 1 -3 47.03 9.64 12 -1 -2 -1.91 4.67 12 1 -2 -1.93 5.35 12 1 -2 3.80 3.92 12 -1 -2 3.76 4.25 12 -1 -2 1.90 5.26 12 1 -2 1.87 4.55 12 -1 -1 47.46 10.08 12 1 -1 101.79 14.40 12 1 -1 77.32 12.61 12 -1 -1 80.13 12.89 12 -1 -1 45.52 10.51 12 1 -1 96.36 13.91 12 -1 0 101.86 14.16 12 1 0 105.15 14.55 12 1 0 107.71 14.78 12 -1 0 108.17 14.77 12 1 0 70.12 12.32 12 -1 1 30.08 7.81 12 1 1 22.95 7.54 12 -1 1 15.24 6.15 12 1 1 25.72 8.41 12 -1 1 34.24 8.82 12 1 1 22.11 7.46 12 -1 2 1.87 3.86 12 1 2 -1.91 4.33 12 -1 2 1.96 4.79 12 1 2 -1.99 3.17 12 -1 2 -1.91 4.98 12 1 2 -1.84 4.50 12 1 3 260.10 24.29 12 -1 3 320.95 26.18 12 -1 3 285.54 25.55 12 1 3 304.66 26.07 12 -1 3 261.81 23.90 12 1 3 307.39 25.50 12 1 4 143.22 17.55 12 -1 4 164.16 18.08 12 -1 4 164.10 17.93 12 1 4 165.84 18.23 12 -1 4 159.67 18.39 12 1 4 137.91 17.40 12 -1 5 11.66 6.48 12 1 5 18.63 6.67 12 1 5 11.41 6.09 12 -1 5 18.21 6.94 12 -1 5 14.08 6.09 12 1 5 1.82 3.79 12 1 5 20.95 6.32 12 1 6 5.37 4.37 12 -1 6 3.42 5.00 12 -1 6 6.62 4.83 12 1 6 6.86 5.71 12 1 6 13.79 5.30 12 1 7 167.49 17.04 12 -1 7 139.05 15.60 12 -1 7 138.88 15.34 12 1 7 157.32 16.21 12 1 7 168.14 15.99 12 1 8 19.12 5.66 12 -1 8 19.80 5.87 12 -1 8 11.49 4.60 12 1 8 18.27 5.28 12 1 8 11.81 4.26 12 1 9 23.44 5.14 12 -1 9 10.41 4.12 12 1 9 15.58 4.01 12 -1 9 16.09 4.40 12 1 9 23.33 5.25 12 2 -10 53.99 7.37 12 -2 -10 50.03 6.92 12 2 -9 35.50 6.92 12 2 -9 42.36 7.58 12 -2 -9 38.12 6.81 12 2 -8 47.12 8.75 12 2 -8 67.77 10.48 12 -2 -8 62.08 9.59 12 2 -7 6.63 4.59 12 2 -7 4.92 4.01 12 -2 -7 6.24 4.78 12 -2 -7 4.72 4.11 12 2 -6 10.66 5.45 12 2 -6 6.70 4.38 12 2 -6 6.98 4.56 12 -2 -6 15.24 5.85 12 -2 -6 6.97 4.83 12 -2 -5 36.93 8.87 12 -2 -5 55.20 10.54 12 2 -5 37.76 8.64 12 -2 -5 55.13 10.46 12 2 -5 51.58 10.58 12 2 -5 50.66 10.17 12 2 -5 43.11 9.54 12 2 -5 64.46 11.15 12 -2 -4 230.85 21.37 12 2 -4 196.27 19.92 12 2 -4 213.43 21.01 12 -2 -4 179.02 19.70 12 2 -4 204.69 21.13 12 -2 -4 199.13 20.43 12 2 -4 229.90 21.67 12 2 -4 225.31 21.23 12 -2 -3 79.99 12.58 12 -2 -3 57.64 10.90 12 2 -3 38.14 8.93 12 -2 -3 56.05 10.67 12 2 -3 36.63 9.45 12 2 -3 49.53 10.35 12 2 -3 70.81 12.01 12 2 -3 67.44 11.38 12 -2 -2 176.16 19.02 12 2 -2 188.03 19.46 12 2 -2 164.33 18.47 12 -2 -2 145.04 17.43 12 2 -2 143.57 17.53 12 -2 -2 203.40 19.96 12 2 -2 220.54 20.70 12 2 -2 144.16 16.90 12 -2 -1 194.09 19.70 12 2 -1 183.58 18.61 12 2 -1 168.78 18.67 12 2 -1 153.97 17.32 12 -2 -1 138.03 17.15 12 2 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601.70 39.37 12 3 -1 666.66 41.02 12 3 -1 607.92 39.10 12 -3 -1 559.16 37.33 12 -3 -1 618.33 39.05 12 3 0 1.89 4.27 12 3 0 5.20 4.23 12 -3 0 -1.72 4.48 12 3 0 5.56 4.52 12 -3 0 6.82 4.45 12 -3 0 -1.84 6.57 12 3 0 -3.41 6.09 12 3 1 1.87 3.85 12 3 1 1.75 3.22 12 3 1 -1.84 3.80 12 -3 1 1.69 3.48 12 -3 1 -3.70 6.39 12 3 1 -1.70 5.67 12 3 2 7.33 4.78 12 3 2 3.65 4.12 12 -3 2 1.65 4.04 12 3 2 1.75 2.81 12 3 3 96.36 13.46 12 3 3 82.00 12.47 12 3 3 86.11 12.48 12 -3 3 75.48 11.33 12 3 3 53.30 9.94 12 3 4 35.95 8.25 12 3 4 42.66 8.95 12 3 4 24.37 6.87 12 3 4 46.93 9.36 12 3 5 1.63 3.36 12 3 5 3.30 4.30 12 -3 5 1.45 2.68 12 -3 5 1.49 3.07 12 3 5 3.21 3.31 12 3 6 49.78 8.91 12 -3 6 29.22 6.51 12 3 6 38.90 8.05 12 3 7 116.85 13.01 12 3 7 123.14 13.21 12 3 8 1.08 2.45 12 4 -9 3.04 2.65 12 4 -9 5.58 3.26 12 -4 -8 114.77 12.57 12 4 -8 141.83 13.98 12 4 -8 108.07 12.77 12 -4 -7 1.47 3.32 12 4 -7 1.53 2.83 12 4 -7 -1.56 2.50 12 -4 -6 -1.65 4.31 12 4 -6 1.71 3.52 12 4 -6 3.41 3.85 12 4 -5 108.94 14.28 12 -4 -5 113.24 14.83 12 4 -5 126.91 15.62 12 4 -5 105.78 14.07 12 4 -4 52.58 9.97 12 -4 -4 49.20 9.87 12 4 -4 59.72 10.94 12 4 -4 60.77 10.80 12 4 -3 79.39 12.57 12 4 -3 70.81 11.83 12 -4 -3 61.84 11.19 12 4 -3 77.06 12.30 12 4 -2 216.84 20.60 12 -4 -2 177.22 18.69 12 4 -2 209.22 20.44 12 4 -2 188.13 19.51 12 4 -1 7.48 5.48 12 -4 -1 18.65 6.65 12 4 -1 16.80 6.46 12 4 -1 12.90 5.91 12 4 0 94.48 13.04 12 4 0 84.08 12.98 12 4 0 90.40 13.23 12 4 1 3.72 4.21 12 4 1 3.54 4.00 12 4 1 5.29 3.99 12 4 2 31.80 7.69 12 4 2 14.72 6.65 12 4 2 27.94 7.27 12 4 2 37.77 8.29 12 4 3 149.96 16.15 12 4 3 143.53 16.35 12 4 3 151.72 16.69 12 4 3 160.25 17.29 12 4 4 65.56 10.60 12 4 4 74.49 11.59 12 4 4 68.51 10.95 12 4 4 70.09 11.06 12 4 5 43.84 8.79 12 4 5 54.66 9.36 12 4 6 54.22 9.32 12 4 6 38.17 8.03 12 4 7 3.76 3.47 12 4 7 7.00 3.58 12 4 8 18.84 4.53 12 4 8 15.92 4.19 12 5 -8 45.05 7.53 12 5 -8 52.26 8.16 12 -5 -8 72.38 9.14 12 5 -7 48.40 8.51 12 5 -7 56.68 9.09 12 -5 -7 59.31 9.00 12 5 -6 15.33 5.56 12 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8.48 12 6 -6 41.04 7.96 12 6 -6 51.46 8.40 12 -6 -5 30.99 7.19 12 6 -5 31.06 7.54 12 6 -5 21.14 6.04 12 6 -4 25.36 6.87 12 -6 -4 7.36 4.32 12 6 -4 15.42 5.88 12 6 -4 10.50 5.01 12 6 -3 16.48 5.70 12 -6 -3 7.40 4.12 12 6 -3 15.65 5.42 12 6 -3 6.01 3.94 12 6 -3 12.53 5.22 12 6 -2 24.09 6.73 12 6 -2 37.21 7.92 12 6 -2 37.09 8.45 12 6 -2 29.69 7.15 12 6 -1 -1.56 2.50 12 6 -1 3.41 3.85 12 6 -1 3.07 4.01 12 6 0 71.16 10.72 12 6 0 70.09 10.62 12 6 0 71.38 11.39 12 6 1 313.98 24.04 12 6 1 326.82 25.75 12 6 2 59.56 9.57 12 6 2 66.73 10.87 12 6 3 29.29 6.79 12 6 3 43.40 8.42 12 6 3 26.43 6.52 12 6 4 23.44 6.06 12 6 4 23.04 6.42 12 6 4 20.22 5.65 12 6 5 -1.18 2.87 12 6 5 -1.29 3.16 12 6 5 1.11 2.29 12 6 6 5.55 3.24 12 6 6 7.50 3.36 12 6 7 2.67 2.73 12 -7 -6 181.38 14.71 12 7 -6 197.96 15.51 12 7 -6 158.87 13.95 12 -7 -5 45.35 7.51 12 7 -5 47.01 7.70 12 7 -5 44.40 7.22 12 7 -4 80.30 10.79 12 -7 -4 71.89 9.68 12 7 -4 75.96 10.16 12 7 -4 80.99 10.64 12 7 -4 78.80 10.10 12 7 -3 30.96 6.57 12 7 -3 23.03 5.92 12 7 -3 17.91 5.07 12 7 -3 18.37 5.74 12 7 -2 1.40 2.59 12 7 -2 7.29 4.04 12 7 -1 1.41 2.60 12 7 -1 5.91 4.09 12 7 0 11.09 4.45 12 7 0 10.67 4.28 12 7 0 10.28 5.26 12 7 1 4.00 3.26 12 7 1 5.73 3.97 12 7 2 162.61 15.60 12 7 2 185.17 17.04 12 7 3 24.34 6.45 12 7 3 33.99 6.71 12 7 4 41.69 7.26 12 7 4 44.26 7.25 12 7 5 3.02 2.46 12 7 5 0.97 2.37 12 8 -4 79.16 9.51 12 8 -3 136.23 12.98 12 8 -2 36.07 6.83 12 8 -1 19.96 5.02 12 8 0 2.26 2.76 12 8 1 31.32 6.13 12 8 2 1.07 2.20 12 8 3 18.66 4.59 12 8 3 11.79 3.88 12 8 4 33.84 5.69 -12 -9 0 -0.94 2.11 13 0 -9 5.98 3.19 13 0 -8 -1.25 3.47 13 0 -7 137.37 14.84 13 0 -5 10.33 5.53 13 0 -5 21.02 7.07 13 0 -4 -3.57 4.03 13 0 -4 -1.82 4.43 13 0 -3 192.16 19.49 13 0 -3 190.29 19.67 13 0 -2 3.72 4.85 13 0 -2 1.82 2.91 13 0 -1 12.25 5.60 13 0 -1 12.99 6.64 13 0 -1 7.27 4.76 13 0 0 3.61 4.40 13 0 0 -1.81 5.00 13 0 0 -1.84 4.81 13 0 1 454.43 32.98 13 0 1 488.38 33.36 13 0 1 495.06 33.51 13 0 2 1.79 3.31 13 0 2 3.68 4.49 13 0 3 -1.74 3.21 13 0 3 3.61 4.41 13 0 4 -1.67 3.77 13 0 4 -3.47 3.93 13 0 5 83.90 11.70 13 0 6 1.40 2.88 13 0 7 28.59 6.01 13 0 8 0.94 2.29 13 -1 -9 24.37 5.10 13 1 -9 17.64 4.40 13 -1 -8 9.49 4.12 13 1 -8 14.86 5.25 13 -1 -7 188.47 17.08 13 1 -7 179.31 17.03 13 -1 -6 81.28 11.34 13 -1 -6 85.78 11.90 13 1 -6 76.78 11.44 13 -1 -5 6.63 4.59 13 -1 -5 1.67 4.09 13 1 -5 1.70 3.84 13 -1 -5 1.72 3.89 13 1 -5 1.74 3.94 13 -1 -4 124.73 15.09 13 -1 -4 96.17 13.37 13 1 -4 108.88 14.19 13 -1 -4 101.77 14.03 13 1 -4 95.84 13.59 13 1 -3 174.49 17.56 13 -1 -3 152.21 17.17 13 1 -3 146.15 16.77 13 -1 -3 125.48 15.88 13 1 -3 141.78 16.85 13 -1 -3 153.83 17.57 13 1 -2 24.77 7.14 13 -1 -2 12.80 5.62 13 1 -2 12.97 6.42 13 -1 -2 14.48 5.81 13 1 -2 14.31 5.50 13 1 -1 3.64 3.75 13 -1 -1 1.82 4.45 13 1 -1 1.85 4.18 13 -1 -1 -1.82 3.75 13 1 -1 1.78 3.29 13 1 0 97.65 13.81 13 -1 0 72.40 11.93 13 1 0 86.66 12.56 13 -1 0 79.50 12.37 13 1 0 66.23 11.38 13 1 1 151.32 17.46 13 -1 1 129.88 16.33 13 1 1 174.68 18.35 13 -1 1 140.13 16.64 13 1 1 146.87 16.64 13 -1 2 140.94 16.62 13 1 2 203.91 19.42 13 -1 2 152.33 17.12 13 1 2 169.87 18.22 13 -1 3 8.42 4.67 13 1 3 8.70 5.08 13 -1 3 12.34 5.40 13 1 3 5.33 4.03 13 -1 4 68.89 11.13 13 1 4 83.05 12.11 13 -1 4 73.43 11.82 13 1 4 86.26 12.52 13 -1 5 43.14 8.26 13 1 5 34.00 7.82 13 1 5 46.79 9.55 13 -1 6 16.01 5.24 13 1 6 6.90 3.84 13 -1 7 4.54 3.14 13 1 7 -1.17 2.63 13 -2 -8 47.27 7.33 13 2 -8 47.60 7.67 13 -2 -7 41.51 7.70 13 -2 -7 30.21 6.41 13 2 -7 45.56 8.04 13 2 -6 16.25 5.49 13 -2 -6 16.66 6.28 13 -2 -6 20.01 6.07 13 2 -6 14.94 5.55 13 2 -5 1.54 3.77 13 -2 -5 5.00 4.35 13 -2 -5 1.56 3.22 13 2 -5 -1.60 3.90 13 -2 -5 -1.63 3.37 13 2 -5 8.44 5.16 13 2 -5 3.20 4.43 13 2 -4 81.73 11.87 13 -2 -4 68.66 11.62 13 -2 -4 64.43 10.51 13 2 -4 68.10 10.78 13 2 -4 63.72 10.88 13 -2 -4 52.80 10.35 13 2 -4 61.57 10.91 13 2 -4 65.48 10.95 13 2 -3 149.79 16.88 13 -2 -3 146.19 16.59 13 2 -3 156.24 17.47 13 2 -3 118.46 14.89 13 2 -3 133.06 15.88 13 -2 -3 128.50 15.49 13 2 -3 113.51 14.52 13 -2 -3 160.28 17.36 13 2 -2 26.99 7.47 13 -2 -2 26.96 7.46 13 -2 -2 22.75 7.08 13 2 -2 20.48 6.35 13 -2 -2 21.01 6.90 13 2 -2 21.70 6.93 13 2 -2 20.13 6.62 13 2 -2 19.19 6.29 13 2 -1 9.10 5.06 13 -2 -1 15.91 6.12 13 2 -1 8.53 5.24 13 -2 -1 12.21 5.36 13 2 -1 14.44 6.02 13 2 -1 16.69 5.78 13 2 0 138.44 15.92 13 2 0 156.54 17.53 13 -2 0 163.07 17.96 13 2 0 186.43 18.36 13 -2 0 170.48 17.79 13 2 0 139.78 16.56 13 -2 1 58.93 10.55 13 2 1 47.63 10.03 13 2 2 5.28 4.30 13 -2 2 6.54 4.27 13 2 2 10.35 5.28 13 2 3 2.97 4.12 13 2 3 13.55 5.19 13 -2 3 3.13 4.34 13 2 3 6.66 4.07 13 2 4 42.94 8.19 13 2 4 60.63 10.12 13 -2 4 32.46 7.51 13 2 4 48.88 9.68 13 2 5 137.60 14.00 13 2 5 114.96 13.94 13 -2 5 114.03 13.05 13 2 5 134.60 14.80 13 2 6 -1.19 2.91 13 -2 6 1.20 2.94 13 2 6 -1.27 3.11 13 2 7 1.00 2.06 13 -2 7 2.02 2.64 13 2 7 -1.05 2.38 13 3 -8 117.15 11.82 13 3 -7 6.53 3.61 13 -3 -7 -1.25 3.05 13 3 -7 4.79 2.92 13 3 -6 -1.48 3.35 13 -3 -6 1.46 3.82 13 3 -6 1.41 3.19 13 3 -5 1.60 3.31 13 -3 -5 4.85 3.95 13 3 -5 1.57 2.51 13 3 -4 1.68 3.10 13 -3 -4 10.23 5.22 13 -3 -4 5.94 4.11 13 -3 -4 4.63 5.34 13 3 -4 4.89 4.26 13 3 -4 5.05 3.48 13 3 -3 1.74 3.60 13 -3 -3 6.95 5.32 13 -3 -3 6.26 4.08 13 3 -3 10.36 5.75 13 -3 -3 4.76 4.40 13 3 -3 5.02 4.09 13 3 -2 172.86 18.55 13 -3 -2 182.68 17.98 13 3 -2 191.66 18.89 13 3 -2 180.60 18.99 13 -3 -2 189.24 18.86 13 -3 -2 182.88 18.38 13 -3 -1 103.63 13.76 13 3 -1 117.22 14.49 13 -3 -1 125.46 15.07 13 3 -1 143.49 16.17 13 -3 -1 101.46 13.71 13 3 0 113.81 14.28 13 -3 0 78.31 12.35 13 -3 0 75.28 11.59 13 3 0 99.55 13.52 13 3 1 7.82 4.34 13 3 1 1.71 3.17 13 -3 1 9.15 4.67 13 3 1 4.98 3.43 13 3 2 4.64 3.78 13 3 2 -1.65 3.05 13 3 2 1.62 3.65 13 -3 2 -1.47 2.70 13 3 3 1.50 3.10 13 3 3 -3.15 4.11 13 3 3 -1.55 3.78 13 -3 3 -1.39 3.14 13 3 4 -1.43 2.95 13 3 4 17.56 5.89 13 3 4 8.68 4.62 13 -3 4 10.32 4.29 13 3 5 3.93 3.63 13 3 5 1.31 2.97 13 3 5 1.31 2.41 13 3 6 133.24 13.18 13 3 7 22.68 5.00 13 4 -7 35.91 7.14 13 -4 -7 35.23 6.85 13 4 -7 38.90 7.22 13 4 -6 19.11 5.51 13 -4 -6 9.42 4.32 13 4 -6 9.76 4.66 13 4 -5 -1.52 3.13 13 -4 -5 -2.99 4.98 13 4 -5 1.52 2.81 13 4 -4 109.94 13.62 13 4 -4 95.01 12.87 13 -4 -4 109.28 13.73 13 4 -4 114.64 13.97 13 4 -3 81.65 11.68 13 -4 -3 64.46 10.81 13 4 -3 60.23 10.17 13 4 -3 71.44 11.24 13 4 -2 30.26 7.52 13 -4 -2 25.40 6.79 13 4 -2 24.91 7.27 13 4 -2 37.10 8.15 13 4 -1 1.67 3.08 13 -4 -1 9.12 4.44 13 4 -1 3.35 4.37 13 4 0 1.64 3.38 13 4 0 5.00 4.87 13 4 1 47.55 9.26 13 4 1 37.81 8.31 13 4 2 25.71 7.45 13 4 2 17.58 5.98 13 4 3 8.67 4.24 13 4 3 12.77 5.09 13 4 3 13.72 5.46 13 4 4 91.41 11.46 13 4 4 79.01 10.68 13 4 4 86.40 11.53 13 4 5 108.58 11.98 13 4 5 116.73 12.75 13 4 6 52.62 7.66 13 4 6 46.26 7.45 13 5 -7 52.58 7.53 13 -5 -7 34.89 6.13 13 5 -7 40.60 6.89 13 5 -6 114.37 12.33 13 -5 -6 97.97 11.26 13 5 -6 109.78 12.14 13 -5 -5 111.31 13.02 13 5 -5 120.62 13.48 13 5 -4 157.37 16.00 13 5 -4 178.73 16.94 13 -5 -4 161.76 15.89 13 5 -4 181.73 17.18 13 5 -3 89.26 12.22 13 -5 -3 85.28 11.54 13 5 -3 79.29 11.56 13 5 -3 110.74 13.18 13 5 -2 -1.52 3.14 13 -5 -2 -1.40 3.41 13 5 -2 -1.57 3.54 13 5 -1 39.18 8.28 13 5 -1 55.48 9.96 13 5 0 5.87 4.07 13 5 0 9.49 4.85 13 5 1 119.62 13.98 13 5 1 80.20 11.42 13 5 2 55.67 8.93 13 5 2 45.02 8.62 13 5 3 174.22 16.30 13 5 3 195.72 17.62 13 5 3 177.73 15.74 13 5 4 165.19 14.92 13 5 4 150.66 14.81 13 5 5 13.47 4.31 13 5 5 15.98 4.62 13 5 6 11.98 3.64 13 5 6 8.48 3.28 13 6 -6 107.77 10.85 13 -6 -6 108.23 10.79 13 6 -6 98.30 10.57 13 6 -5 10.00 3.70 13 -6 -5 10.65 3.94 13 6 -5 3.42 2.99 13 6 -4 83.95 10.63 13 6 -4 84.88 10.74 13 -6 -4 69.83 9.42 13 6 -3 81.81 10.49 13 6 -3 75.62 10.46 13 6 -2 3.87 3.16 13 6 -2 8.39 4.28 13 6 -1 1.27 3.53 13 6 -1 1.42 3.21 13 6 0 6.16 3.41 13 6 0 1.41 2.91 13 6 1 96.42 12.05 13 6 2 93.32 11.89 13 6 2 104.97 11.27 13 6 3 10.65 3.84 13 6 3 20.75 5.54 13 6 4 54.62 8.06 13 6 5 42.76 6.61 13 7 -4 17.37 4.35 13 7 -3 8.67 4.01 13 7 -2 9.09 3.94 13 7 -1 -1.16 2.62 13 7 0 65.44 9.06 13 7 1 17.74 5.16 13 7 2 25.98 5.64 13 7 2 41.17 6.46 13 7 3 80.10 8.82 13 7 3 86.41 9.43 14 0 -7 -1.07 1.97 14 0 -6 64.08 9.43 14 0 -5 4.19 3.87 14 0 -4 4.57 4.45 14 0 -4 13.45 5.52 14 0 -3 6.34 5.27 14 0 -3 3.11 4.30 14 0 -2 11.30 5.58 14 0 -2 7.91 4.14 14 0 -1 -1.62 3.66 14 0 -1 -1.59 3.27 14 0 0 3.21 3.92 14 0 0 -1.57 3.24 14 0 1 -1.57 4.59 14 0 1 -1.52 3.14 14 0 2 206.37 18.85 14 0 2 204.54 18.77 14 0 3 -1.44 3.98 14 0 3 1.44 4.00 14 0 4 25.18 6.54 14 0 5 -2.36 3.44 14 0 6 1.99 2.75 14 -1 -7 5.04 2.63 14 1 -7 1.05 2.17 14 -1 -6 152.92 14.16 14 1 -6 134.84 13.63 14 -1 -5 210.60 18.00 14 1 -5 195.23 17.61 14 -1 -4 8.91 5.15 14 1 -4 16.58 5.92 14 -1 -4 8.68 4.65 14 1 -4 14.68 5.26 14 -1 -3 10.82 5.54 14 1 -3 6.29 4.60 14 -1 -3 18.20 5.95 14 1 -3 10.66 5.27 14 1 -2 35.30 7.74 14 -1 -2 20.48 6.58 14 1 -2 41.71 8.56 14 -1 -2 24.87 6.95 14 1 -2 21.68 6.31 14 1 -1 4.59 4.24 14 -1 -1 4.73 4.37 14 1 -1 6.45 4.46 14 -1 -1 1.57 3.83 14 1 -1 4.65 4.05 14 1 0 1.56 3.21 14 -1 0 1.56 3.81 14 1 0 6.40 4.67 14 -1 0 7.80 4.78 14 1 0 3.07 3.47 14 -1 1 10.64 5.08 14 1 1 15.66 5.98 14 1 1 12.39 5.17 14 -1 2 81.77 11.40 14 1 2 77.04 11.08 14 1 2 104.21 12.71 14 -1 3 185.67 16.83 14 1 3 188.43 17.28 14 -1 3 186.89 17.25 14 1 3 156.26 16.19 14 -1 4 21.48 5.63 14 1 4 19.71 5.47 14 1 4 15.81 5.34 14 -1 5 1.12 2.53 14 1 5 -1.16 3.21 14 -1 6 7.52 3.69 14 1 6 4.83 3.10 14 -2 -6 62.45 8.51 14 2 -6 55.25 8.28 14 -2 -5 27.86 6.39 14 2 -5 22.79 6.14 14 2 -4 27.73 6.36 14 -2 -4 40.13 7.78 14 2 -4 47.40 8.80 14 -2 -4 39.84 7.58 14 2 -4 36.75 7.34 14 2 -3 1.43 3.24 14 -2 -3 4.23 3.19 14 2 -3 1.42 2.62 14 -2 -3 1.45 3.27 14 2 -3 1.50 3.10 14 2 -2 118.69 13.90 14 -2 -2 122.87 13.96 14 2 -2 129.11 14.37 14 -2 -2 135.75 14.78 14 2 -2 104.61 13.61 14 -2 -1 22.14 6.71 14 2 -1 20.09 6.73 14 -2 -1 25.31 6.34 14 2 -1 14.58 5.27 14 2 -1 26.13 6.84 14 -2 0 15.97 5.93 14 2 0 38.25 8.64 14 2 0 38.47 7.97 14 -2 1 88.66 11.81 14 2 1 105.97 13.26 14 2 1 123.98 14.26 14 -2 2 58.97 9.46 14 2 2 80.13 11.04 14 2 2 78.45 11.12 14 -2 3 -2.50 3.27 14 2 3 -1.34 2.77 14 2 3 2.73 3.78 14 -2 4 22.75 5.52 14 2 4 24.32 5.89 14 2 4 23.52 6.32 14 -2 5 3.98 2.76 14 2 5 2.11 2.76 14 3 -6 9.51 3.67 14 3 -6 10.89 3.67 14 3 -5 -1.22 2.24 14 -3 -5 1.26 3.28 14 3 -5 1.18 2.18 14 3 -4 1.33 2.46 14 3 -4 6.61 3.66 14 -3 -4 1.37 3.59 14 3 -3 1.41 3.20 14 3 -3 1.34 3.50 14 3 -2 21.99 5.92 14 3 -2 9.63 4.61 14 3 -1 464.96 30.34 14 3 -1 510.74 31.97 14 3 0 64.40 10.09 14 3 0 58.82 9.38 14 3 1 42.61 7.97 14 3 1 29.22 7.16 14 3 2 6.74 3.94 14 3 2 6.31 3.69 14 3 3 8.73 3.65 14 3 4 8.36 4.10 14 3 4 8.91 3.72 14 3 5 20.86 4.65 14 4 -5 7.96 3.50 14 4 -5 12.26 4.13 14 -4 -5 11.11 4.48 14 4 -4 -1.24 2.81 14 -4 -4 1.22 2.97 14 4 -3 11.54 4.46 14 4 -3 19.84 5.35 14 4 -2 167.29 15.81 14 4 -2 144.39 14.76 14 4 -1 1.36 3.08 14 4 -1 1.34 3.27 14 4 0 103.95 12.12 14 4 0 69.17 10.06 14 4 1 1.28 3.34 14 4 1 1.29 2.93 14 4 2 19.13 5.35 14 4 2 25.82 6.27 14 4 3 -1.09 2.24 14 4 3 2.27 2.77 14 4 4 -0.94 2.46 14 4 4 1.00 2.06 14 5 -4 19.45 5.04 14 -5 -4 20.01 4.94 14 5 -3 62.25 8.91 14 5 -3 68.51 9.34 14 5 -2 63.90 9.12 14 5 -2 65.29 9.24 14 5 -1 10.61 3.94 14 5 -1 13.52 4.96 14 5 0 3.43 3.17 14 5 0 2.44 2.76 14 5 1 10.80 4.01 14 5 1 16.58 5.26 14 5 2 7.91 3.43 14 5 2 8.93 3.73 14 5 3 34.50 6.20 14 6 -2 -1.02 2.66 14 6 -1 4.60 3.07 14 6 -1 7.27 3.84 14 6 0 2.06 3.01 14 6 1 17.82 4.70 15 0 -4 -1.09 2.65 15 0 -3 236.86 18.68 15 0 -3 250.71 18.79 15 0 -2 -1.24 3.02 15 0 -2 -1.21 2.74 15 0 -1 1.25 3.06 15 0 0 -1.24 3.23 15 0 1 21.56 5.69 15 0 2 -1.05 2.57 15 0 2 4.52 3.46 15 0 3 82.64 9.64 15 -1 -4 161.81 14.28 15 1 -4 205.70 15.77 15 -1 -3 39.14 6.94 15 1 -3 35.30 6.58 15 -1 -3 20.59 5.80 15 1 -3 36.37 7.03 15 -1 -2 15.22 4.98 15 1 -2 16.54 4.91 15 -1 -2 14.26 4.81 15 1 -2 14.67 5.07 15 1 -1 35.66 6.96 15 -1 -1 39.63 7.14 15 1 -1 38.39 7.36 15 1 0 26.30 5.98 15 -1 0 31.99 6.92 15 1 0 35.57 7.16 15 1 1 10.20 3.92 15 -1 1 3.43 3.50 15 1 1 7.12 3.80 15 1 2 -1.08 2.45 15 -1 2 -2.15 2.97 15 1 2 -2.23 3.09 15 -1 3 3.90 2.85 15 1 3 6.09 3.51 15 -2 -3 7.96 3.32 15 2 -3 11.33 3.81 15 2 -3 1.99 2.61 15 2 -2 -1.08 2.83 15 -2 -2 1.07 2.80 15 2 -2 -1.14 3.48 15 2 -1 42.99 7.35 15 -2 -1 34.66 6.53 15 2 -1 31.16 6.52 15 2 0 6.84 3.33 15 -2 0 3.20 2.95 15 2 0 4.56 3.49 15 2 1 45.52 7.26 15 -2 1 44.87 7.15 15 2 1 36.14 6.95 15 2 2 1.05 2.73 15 -2 2 0.95 2.47 15 2 2 1.02 2.97 15 3 -2 1.05 2.56 15 3 -1 10.78 4.00 15 3 0 188.24 15.40 15 3 1 4.10 3.00 0 0 0 0.00 0.00 TITL i1044a_auto in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 12.897109 11.941436 13.071840 90.0000 92.3740 90.0000 ZERR 28.00 0.000104 0.000101 0.000100 0.0000 0.0008 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H S Mn I UNIT 28.00 28.00 28.00 28.00 28.00 REM CrysAlisPro recorded range (K): Min=298.5; max=298.9; aver:298.7 TEMP 26 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 29927 _shelx_res_file ; TITL I1044A_AUTO OLEX2: imported from CIF i1044a_auto.res created by SHELXL-2018/3 at 18:14:47 on 03-Dec-2024 CELL 1.54184 12.8971 11.9414 13.0718 90 92.374 90 ZERR 4 0.0001 0.0001 0.0001 0 0.001 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H I S UNIT 72 60 12 4 L.S. 4 PLAN 10 SIZE 0.096 0.101 0.141 TEMP 26 CONF fmap 2 53 MORE -1 BOND $H ACTA REM REM REM WGHT 0.039400 EXTI 0.000476 FVAR 0.23548 I1 3 0.099817 0.360906 0.510075 11.00000 0.06062 0.03584 = 0.05383 0.01070 0.00196 0.00876 I2 3 0.201703 0.522458 0.374354 11.00000 0.03714 0.04021 = 0.03720 -0.00876 -0.00240 0.00547 I3 3 0.301591 0.681800 0.244180 11.00000 0.06364 0.05141 = 0.05432 -0.00135 0.01768 -0.00218 C1 1 0.172076 0.805829 0.591514 11.00000 0.03591 0.03188 = 0.03096 -0.00081 -0.00069 -0.00051 S1 4 0.189742 0.663865 0.634335 11.00000 0.03751 0.03043 = 0.03141 -0.00370 0.00156 -0.00274 C2 1 0.218073 0.831548 0.501593 11.00000 0.07148 0.04153 = 0.04958 0.00275 0.02472 0.00884 AFIX 43 H2 2 0.256556 0.778143 0.467919 11.00000 0.05095 AFIX 0 C3 1 0.206143 0.937660 0.462360 11.00000 0.09146 0.04997 = 0.05108 0.00990 0.02242 0.00586 AFIX 43 H3 2 0.236932 0.956765 0.401684 11.00000 0.10823 AFIX 0 C4 1 0.148971 1.015321 0.512492 11.00000 0.07956 0.03843 = 0.06054 0.00913 -0.00132 0.00466 AFIX 43 H4 2 0.142610 1.087524 0.486313 11.00000 0.08325 AFIX 0 C5 1 0.101314 0.988357 0.600096 11.00000 0.09030 0.04651 = 0.05136 -0.00073 0.01027 0.03084 AFIX 43 H5 2 0.062379 1.041862 0.633138 11.00000 0.09737 AFIX 0 C6 1 0.110834 0.880349 0.640432 11.00000 0.06110 0.05319 = 0.03854 0.00316 0.01090 0.00658 AFIX 43 H6 2 0.076556 0.859810 0.698763 11.00000 0.06745 AFIX 0 C7 1 0.134713 0.655974 0.756561 11.00000 0.03081 0.03730 = 0.03342 0.00256 -0.00112 -0.00068 C8 1 0.049073 0.587398 0.761054 11.00000 0.04254 0.05244 = 0.04258 0.00482 -0.00386 -0.01440 AFIX 43 H8 2 0.025085 0.547618 0.703665 11.00000 0.05338 AFIX 0 C9 1 -0.000037 0.578950 0.851656 11.00000 0.05237 0.09237 = 0.05364 0.01968 0.01022 -0.02243 AFIX 43 H9 2 -0.058230 0.533426 0.855703 11.00000 0.08637 AFIX 0 C10 1 0.035926 0.637181 0.936715 11.00000 0.06167 0.08475 = 0.03841 0.01470 0.01570 -0.00091 AFIX 43 H10 2 0.001564 0.631718 0.997675 11.00000 0.06038 AFIX 0 C11 1 0.121923 0.702863 0.931580 11.00000 0.07455 0.07876 = 0.03657 -0.00821 0.00780 -0.00862 AFIX 43 H11 2 0.146671 0.740858 0.989704 11.00000 0.08409 AFIX 0 C12 1 0.172727 0.713767 0.841463 11.00000 0.05728 0.06914 = 0.03726 -0.00629 0.00641 -0.02175 AFIX 43 H12 2 0.231195 0.758964 0.837948 11.00000 0.06241 AFIX 0 C13 1 0.327214 0.657061 0.657015 11.00000 0.03917 0.03743 = 0.02993 0.00092 0.00373 0.00158 C14 1 0.373617 0.558055 0.628610 11.00000 0.05402 0.04100 = 0.03963 -0.00024 -0.00043 0.00598 AFIX 43 H14 2 0.334363 0.499431 0.600619 11.00000 0.03813 AFIX 0 C15 1 0.480079 0.548767 0.643039 11.00000 0.06214 0.06185 = 0.05694 0.00230 0.01138 0.02529 AFIX 43 H15 2 0.513174 0.483109 0.624400 11.00000 0.06359 AFIX 0 C16 1 0.537507 0.635918 0.684776 11.00000 0.03657 0.08158 = 0.05867 0.01164 0.00876 0.00519 AFIX 43 H16 2 0.609032 0.628456 0.694308 11.00000 0.05502 AFIX 0 C17 1 0.490770 0.732636 0.712154 11.00000 0.03705 0.06542 = 0.07185 -0.00022 0.00866 -0.00389 AFIX 43 H17 2 0.530404 0.790689 0.740656 11.00000 0.10947 AFIX 0 C18 1 0.384509 0.745343 0.697900 11.00000 0.04350 0.04588 = 0.04717 -0.00756 0.00593 -0.00224 AFIX 43 H18 2 0.352311 0.811907 0.715467 11.00000 0.06845 AFIX 0 HKLF 4 REM I1044A_AUTO OLEX2: imported from CIF REM wR2 = 0.0771, GooF = S = 1.055, Restrained GooF = 1.055 for all data REM R1 = 0.0306 for 3113 Fo > 4sig(Fo) and 0.0374 for all 3681 data REM 215 parameters refined using 0 restraints END WGHT 0.0394 0.0000 REM Highest difference peak 0.871, deepest hole -0.900, 1-sigma level 0.107 Q1 1 0.1642 0.3619 0.5053 11.00000 0.05 0.87 Q2 1 0.2747 0.5211 0.3745 11.00000 0.05 0.71 Q3 1 0.3795 0.6822 0.2580 11.00000 0.05 0.52 Q4 1 0.1188 0.5198 0.3667 11.00000 0.05 0.51 Q5 1 0.2704 0.6335 0.2565 11.00000 0.05 0.47 Q6 1 0.1905 0.4801 0.3967 11.00000 0.05 0.45 Q7 1 0.2218 0.6832 0.2404 11.00000 0.05 0.43 Q8 1 0.1157 0.9327 0.6247 11.00000 0.05 0.41 Q9 1 0.0970 0.3438 0.3966 11.00000 0.05 0.37 Q10 1 0.0823 0.4821 0.4862 11.00000 0.05 0.36 ; _shelx_res_checksum 30956 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 I I1 0.09982(3) 0.36091(3) 0.51008(3) 0.05011(13) Uani d 1 . . I I2 0.20170(2) 0.52246(3) 0.37435(2) 0.03829(11) Uani d 1 . . I I3 0.30159(3) 0.68180(3) 0.24418(3) 0.05604(13) Uani d 1 . . C C1 0.1721(3) 0.8058(4) 0.5915(3) 0.0330(10) Uani d 1 . . S S1 0.18974(8) 0.66386(9) 0.63434(8) 0.0331(3) Uani d 1 . . C C2 0.2181(4) 0.8315(4) 0.5016(4) 0.0536(14) Uani d 1 . . H H2 0.256556 0.778143 0.467919 0.051(15) Uiso calc 1 . . C C3 0.2061(5) 0.9377(5) 0.4624(4) 0.0636(16) Uani d 1 . . H H3 0.236932 0.956765 0.401684 0.11(2) Uiso calc 1 . . C C4 0.1490(4) 1.0153(5) 0.5125(4) 0.0596(15) Uani d 1 . . H H4 0.142610 1.087524 0.486313 0.08(2) Uiso calc 1 . . C C5 0.1013(5) 0.9884(5) 0.6001(4) 0.0625(16) Uani d 1 . . H H5 0.062379 1.041862 0.633138 0.10(2) Uiso calc 1 . . C C6 0.1108(4) 0.8803(4) 0.6404(4) 0.0507(13) Uani d 1 . . H H6 0.076556 0.859810 0.698763 0.067(18) Uiso calc 1 . . C C7 0.1347(3) 0.6560(4) 0.7566(3) 0.0339(10) Uani d 1 . . C C8 0.0491(4) 0.5874(4) 0.7611(4) 0.0460(12) Uani d 1 . . H H8 0.025085 0.547618 0.703665 0.053(15) Uiso calc 1 . . C C9 0.0000(4) 0.5789(6) 0.8517(4) 0.0659(17) Uani d 1 . . H H9 -0.058230 0.533426 0.855703 0.09(2) Uiso calc 1 . . C C10 0.0359(4) 0.6372(5) 0.9367(4) 0.0612(16) Uani d 1 . . H H10 0.001564 0.631718 0.997675 0.060(16) Uiso calc 1 . . C C11 0.1219(5) 0.7029(5) 0.9316(4) 0.0631(16) Uani d 1 . . H H11 0.146671 0.740858 0.989704 0.08(2) Uiso calc 1 . . C C12 0.1727(4) 0.7138(5) 0.8415(4) 0.0544(14) Uani d 1 . . H H12 0.231195 0.758964 0.837948 0.062(17) Uiso calc 1 . . C C13 0.3272(3) 0.6571(4) 0.6570(3) 0.0354(10) Uani d 1 . . C C14 0.3736(4) 0.5581(4) 0.6286(3) 0.0449(12) Uani d 1 . . H H14 0.334363 0.499431 0.600619 0.038(13) Uiso calc 1 . . C C15 0.4801(4) 0.5488(5) 0.6430(4) 0.0601(15) Uani d 1 . . H H15 0.513174 0.483109 0.624400 0.064(17) Uiso calc 1 . . C C16 0.5375(4) 0.6359(5) 0.6848(4) 0.0588(15) Uani d 1 . . H H16 0.609032 0.628456 0.694308 0.055(15) Uiso calc 1 . . C C17 0.4908(4) 0.7326(5) 0.7122(4) 0.0579(15) Uani d 1 . . H H17 0.530404 0.790689 0.740656 0.11(3) Uiso calc 1 . . C C18 0.3845(4) 0.7453(5) 0.6979(4) 0.0454(12) Uani d 1 . . H H18 0.352311 0.811907 0.715467 0.068(18) 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 I1 0.0606(2) 0.0358(2) 0.0538(2) 0.00876(15) 0.00196(16) 0.01070(15) I2 0.03714(18) 0.0402(2) 0.03720(17) 0.00547(13) -0.00240(13) -0.00876(13) I3 0.0636(2) 0.0514(2) 0.0543(2) -0.00218(17) 0.01768(17) -0.00135(16) C1 0.036(2) 0.032(2) 0.031(2) -0.001(2) -0.0007(19) -0.0008(19) S1 0.0375(6) 0.0304(6) 0.0314(5) -0.0027(5) 0.0016(5) -0.0037(4) C2 0.071(4) 0.042(3) 0.050(3) 0.009(3) 0.025(3) 0.003(3) C3 0.091(4) 0.050(4) 0.051(3) 0.006(3) 0.022(3) 0.010(3) C4 0.080(4) 0.038(3) 0.061(3) 0.005(3) -0.001(3) 0.009(3) C5 0.090(4) 0.047(3) 0.051(3) 0.031(3) 0.010(3) -0.001(3) C6 0.061(3) 0.053(3) 0.039(3) 0.007(3) 0.011(3) 0.003(2) C7 0.031(2) 0.037(3) 0.033(2) -0.001(2) -0.0011(18) 0.003(2) C8 0.043(3) 0.052(3) 0.043(3) -0.014(3) -0.004(2) 0.005(2) C9 0.052(3) 0.092(5) 0.054(3) -0.022(3) 0.010(3) 0.020(3) C10 0.062(4) 0.085(5) 0.038(3) -0.001(3) 0.016(3) 0.015(3) C11 0.075(4) 0.079(4) 0.037(3) -0.009(4) 0.008(3) -0.008(3) C12 0.057(3) 0.069(4) 0.037(3) -0.022(3) 0.006(2) -0.006(3) C13 0.039(3) 0.037(3) 0.030(2) 0.002(2) 0.0037(19) 0.001(2) C14 0.054(3) 0.041(3) 0.040(3) 0.006(3) 0.000(2) 0.000(2) C15 0.062(4) 0.062(4) 0.057(3) 0.025(3) 0.011(3) 0.002(3) C16 0.037(3) 0.082(5) 0.059(3) 0.005(3) 0.009(3) 0.012(3) C17 0.037(3) 0.065(4) 0.072(4) -0.004(3) 0.009(3) 0.000(3) C18 0.044(3) 0.046(3) 0.047(3) -0.002(3) 0.006(2) -0.008(2) 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' I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 I3 I2 I1 . . 179.284(14) ? C2 C1 S1 . . 115.1(4) ? C6 C1 S1 . . 122.5(4) ? C6 C1 C2 . . 122.2(5) ? C7 S1 C1 . . 106.3(2) ? C7 S1 C13 . . 106.2(2) ? C13 S1 C1 . . 101.9(2) ? C1 C2 H2 . . 120.6 ? C1 C2 C3 . . 118.7(5) ? C3 C2 H2 . . 120.6 ? C2 C3 H3 . . 120.0 ? C4 C3 C2 . . 120.0(5) ? C4 C3 H3 . . 120.0 ? C3 C4 H4 . . 119.5 ? C5 C4 C3 . . 120.9(5) ? C5 C4 H4 . . 119.5 ? C4 C5 H5 . . 120.0 ? C4 C5 C6 . . 120.0(5) ? C6 C5 H5 . . 120.0 ? C1 C6 C5 . . 117.9(5) ? C1 C6 H6 . . 121.0 ? C5 C6 H6 . . 121.0 ? C8 C7 S1 . . 114.9(3) ? C8 C7 C12 . . 121.4(4) ? C12 C7 S1 . . 123.7(4) ? C7 C8 H8 . . 120.6 ? C9 C8 C7 . . 118.7(5) ? C9 C8 H8 . . 120.6 ? C8 C9 H9 . . 119.7 ? C8 C9 C10 . . 120.6(5) ? C10 C9 H9 . . 119.7 ? C9 C10 H10 . . 120.0 ? C11 C10 C9 . . 119.9(5) ? C11 C10 H10 . . 120.0 ? C10 C11 H11 . . 119.5 ? C10 C11 C12 . . 120.9(5) ? C12 C11 H11 . . 119.5 ? C7 C12 H12 . . 120.8 ? C11 C12 C7 . . 118.3(5) ? C11 C12 H12 . . 120.8 ? C14 C13 S1 . . 115.6(4) ? C18 C13 S1 . . 122.7(4) ? C18 C13 C14 . . 121.7(5) ? C13 C14 H14 . . 121.0 ? C15 C14 C13 . . 118.1(5) ? C15 C14 H14 . . 121.0 ? C14 C15 H15 . . 119.7 ? C16 C15 C14 . . 120.5(5) ? C16 C15 H15 . . 119.7 ? C15 C16 H16 . . 119.7 ? C17 C16 C15 . . 120.7(5) ? C17 C16 H16 . . 119.7 ? C16 C17 H17 . . 119.8 ? C16 C17 C18 . . 120.4(6) ? C18 C17 H17 . . 119.8 ? C13 C18 C17 . . 118.6(5) ? C13 C18 H18 . . 120.7 ? C17 C18 H18 . . 120.7 ? 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 I1 I2 . 2.9646(4) ? I2 I3 . 2.8909(4) ? C1 S1 . 1.797(4) ? C1 C2 . 1.373(6) ? C1 C6 . 1.366(6) ? S1 C7 . 1.777(5) ? S1 C13 . 1.787(5) ? C2 H2 . 0.9300 ? C2 C3 . 1.373(7) ? C3 H3 . 0.9300 ? C3 C4 . 1.369(7) ? C4 H4 . 0.9300 ? C4 C5 . 1.361(7) ? C5 H5 . 0.9300 ? C5 C6 . 1.397(7) ? C6 H6 . 0.9300 ? C7 C8 . 1.378(6) ? C7 C12 . 1.380(6) ? C8 H8 . 0.9300 ? C8 C9 . 1.370(7) ? C9 H9 . 0.9300 ? C9 C10 . 1.376(7) ? C10 H10 . 0.9300 ? C10 C11 . 1.362(8) ? C11 H11 . 0.9300 ? C11 C12 . 1.378(7) ? C12 H12 . 0.9300 ? C13 C14 . 1.383(6) ? C13 C18 . 1.382(6) ? C14 H14 . 0.9300 ? C14 C15 . 1.383(7) ? C15 H15 . 0.9300 ? C15 C16 . 1.377(8) ? C16 H16 . 0.9300 ? C16 C17 . 1.358(8) ? C17 H17 . 0.9300 ? C17 C18 . 1.384(7) ? C18 H18 . 0.9300 ? 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 C1 S1 C7 C8 . . . . 114.8(4) ? C1 S1 C7 C12 . . . . -64.8(5) ? C1 S1 C13 C14 . . . . -140.9(3) ? C1 S1 C13 C18 . . . . 37.6(4) ? C1 C2 C3 C4 . . . . -0.3(9) ? S1 C1 C2 C3 . . . . 178.5(5) ? S1 C1 C6 C5 . . . . -179.2(4) ? S1 C7 C8 C9 . . . . -178.1(4) ? S1 C7 C12 C11 . . . . 178.5(4) ? S1 C13 C14 C15 . . . . 179.1(4) ? S1 C13 C18 C17 . . . . -179.6(4) ? C2 C1 S1 C7 . . . . 174.4(4) ? C2 C1 S1 C13 . . . . 63.4(4) ? C2 C1 C6 C5 . . . . -4.4(8) ? C2 C3 C4 C5 . . . . -1.5(9) ? C3 C4 C5 C6 . . . . 0.4(9) ? C4 C5 C6 C1 . . . . 2.5(9) ? C6 C1 S1 C7 . . . . -10.4(4) ? C6 C1 S1 C13 . . . . -121.4(4) ? C6 C1 C2 C3 . . . . 3.3(8) ? C7 S1 C13 C14 . . . . 108.1(4) ? C7 S1 C13 C18 . . . . -73.4(4) ? C7 C8 C9 C10 . . . . -0.5(9) ? C8 C7 C12 C11 . . . . -1.0(8) ? C8 C9 C10 C11 . . . . -0.8(10) ? C9 C10 C11 C12 . . . . 1.3(10) ? C10 C11 C12 C7 . . . . -0.4(9) ? C12 C7 C8 C9 . . . . 1.4(8) ? C13 S1 C7 C8 . . . . -137.3(4) ? C13 S1 C7 C12 . . . . 43.2(5) ? C13 C14 C15 C16 . . . . 0.2(8) ? C14 C13 C18 C17 . . . . -1.2(7) ? C14 C15 C16 C17 . . . . -0.2(9) ? C15 C16 C17 C18 . . . . -0.4(9) ? C16 C17 C18 C13 . . . . 1.1(8) ? C18 C13 C14 C15 . . . . 0.6(7) ?