#------------------------------------------------------------------------------ #$Date: 2024-04-27 04:56:53 +0300 (Sat, 27 Apr 2024) $ #$Revision: 291382 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/31/2023107.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_2023107 loop_ _publ_author_name 'Upmann, Daniel' 'Bockfeld, Dirk' 'Jones, Peter G.' 'T\^arcoveanu, Eliza' _publ_section_title ; Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III) ; _journal_coeditor_code YZ2053 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989024002780 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac '(C10 H23 Br P Se) [Au Br4]' _chemical_formula_moiety 'C10 H23 Br P Se +, Au Br4 -' _chemical_formula_sum 'C10 H23 Au Br5 P Se' _chemical_formula_weight 849.73 _chemical_name_systematic ; (Bromoselanyl)(tert-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III) ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _cell_angle_alpha 85.965(2) _cell_angle_beta 80.294(3) _cell_angle_gamma 66.049(3) _cell_formula_units_Z 2 _cell_length_a 7.8155(3) _cell_length_b 9.1505(3) _cell_length_c 15.5221(5) _cell_measurement_reflns_used 21572 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 30.7844 _cell_measurement_theta_min 2.4306 _cell_volume 999.97(6) _computing_cell_refinement ; CrysAlisPro, Version 1.171.35.21 (Rigaku OD, 2015) ; _computing_data_collection ; CrysAlisPro, Version 1.171.35.21 (Rigaku OD, 2015) ; _computing_data_reduction ; CrysAlisPro, Version 1.171.35.21 (Rigaku OD, 2015) ; _computing_molecular_graphics ; Bruker XP, Version 5.1 (Bruker, 1998) ; _computing_publication_material ; SHELXL-2019/3 (Sheldrick, 2015) ; _computing_structure_refinement ; SHELXL-2019/3 (Sheldrick, 2015) ; _computing_structure_solution ; SHELXS-97 (Sheldrick, 2008) ; _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 16.1419 _diffrn_measured_fraction_theta_full 0.979 _diffrn_measured_fraction_theta_max 0.927 _diffrn_measurement_device_type 'Oxford Diffraction Xcalibur, Eos' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0499 _diffrn_reflns_av_unetI/netI 0.0274 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 52431 _diffrn_reflns_theta_full 30.000 _diffrn_reflns_theta_max 30.853 _diffrn_reflns_theta_min 2.435 _diffrn_source 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 19.231 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.20197 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2015) ; _exptl_crystal_colour red _exptl_crystal_density_diffrn 2.822 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 772 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.03 _refine_diff_density_max 1.709 _refine_diff_density_min -1.437 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 173 _refine_ls_number_reflns 5847 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.036 _refine_ls_R_factor_all 0.0312 _refine_ls_R_factor_gt 0.0245 _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^)+(0.0295P)^2^+3.0506P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0593 _refine_ls_wR_factor_ref 0.0629 _reflns_number_gt 5198 _reflns_number_total 5847 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file yz2053.cif _cod_data_source_block 22b _cod_database_code 2023107 _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 0.069 _shelx_estimated_absorpt_t_max 0.596 _shelx_hkl_file ; 0 0 -2 214071. 2496.99 16 0 0 -2 216927. 2704.06 4 0 0 2 215881. 2962.04 12 0 0 2 217851. 2605.13 9 0 0 -2 221000. 2532.84 2 0 0 2 219756. 2617.84 14 0 0 -2 215653. 2603.95 7 0 0 -2 219666. 2689.48 23 0 0 -2 229203. 3162.91 10 0 0 3 19256.8 655.099 2 0 0 3 20007.9 612.191 24 0 0 3 19947.1 568.068 22 0 0 3 19538.2 615.572 20 0 0 -3 20165.1 691.510 21 0 0 3 19875.2 878.380 12 0 0 -3 19754.2 672.278 2 0 0 3 19722.0 715.892 7 0 0 -3 19923.8 515.225 17 0 0 3 19725.7 887.010 10 0 0 -3 19823.6 715.224 14 0 0 -3 20824.9 993.462 12 0 0 -3 19136.8 661.350 16 0 0 3 20176.8 626.967 21 0 0 3 21044.0 512.815 17 0 0 -3 19697.3 713.062 9 0 0 3 20221.5 617.405 18 0 0 -3 21219.9 697.559 24 0 0 -3 20232.0 754.342 23 0 0 -3 20817.6 684.573 18 0 0 3 19241.0 747.482 4 0 0 3 19504.1 715.133 9 0 0 -3 20493.0 694.850 20 0 0 -3 19423.9 707.923 7 0 0 -3 19301.7 758.337 4 0 0 -3 21741.1 1014.36 10 0 0 3 19824.9 759.321 23 0 0 3 20084.4 684.475 16 0 0 3 19560.2 720.051 14 0 0 -3 19359.1 546.858 22 0 0 4 7164.63 500.055 7 0 0 -4 7679.68 568.028 19 0 0 4 7851.17 632.963 10 0 0 -4 7715.27 480.145 2 0 0 -4 7495.31 536.343 23 0 0 -4 7709.17 362.488 17 0 0 4 7516.57 438.020 21 0 0 4 7883.67 440.152 18 0 0 -4 7548.47 502.527 9 0 0 -4 8017.71 510.597 24 0 0 -4 8115.16 713.463 12 0 0 4 7496.90 512.016 9 0 0 4 7774.94 544.081 23 0 0 4 7734.39 487.901 16 0 0 -4 8049.47 732.425 10 0 0 4 7491.29 529.483 4 0 0 -4 8204.40 515.013 21 0 0 4 7841.34 431.951 24 0 0 -4 6793.25 457.462 16 0 0 -4 7676.69 545.815 4 0 0 4 7770.30 344.321 17 0 0 4 7689.88 468.077 2 0 0 4 6906.32 496.443 14 0 0 -4 7347.52 379.099 22 0 0 -4 7789.72 512.897 14 0 0 -4 7720.11 497.882 18 0 0 4 7178.01 618.150 12 0 0 -4 7893.74 508.113 20 0 0 -4 7617.71 511.976 7 0 0 4 7565.34 435.278 20 0 0 4 8264.56 412.326 22 0 0 -5 26984.5 1140.85 23 0 0 -5 29785.6 1136.75 24 0 0 5 27629.4 742.363 17 0 0 -5 30226.0 1143.68 18 0 0 -5 26840.0 820.494 22 0 0 -5 29766.5 1592.22 10 0 0 5 26180.8 1083.53 14 0 0 5 27337.1 914.259 24 0 0 5 28067.2 931.532 18 0 0 -5 29052.0 1117.36 14 0 0 5 26520.6 1294.57 12 0 0 -5 29145.0 1149.53 21 0 0 5 26247.5 1081.29 9 0 0 -5 28607.7 1134.94 20 0 0 5 26833.5 1143.78 4 0 0 -5 27609.0 806.580 17 0 0 -5 27278.2 1099.05 7 0 0 -5 26415.8 1018.60 2 0 0 5 27050.9 1144.69 23 0 0 5 28141.3 872.737 22 0 0 -5 28026.6 1095.25 9 0 0 5 26752.6 1313.65 10 0 0 -5 26661.6 985.707 16 0 0 5 27417.2 934.162 21 0 0 5 26579.8 981.509 2 0 0 5 28039.5 1042.13 16 0 0 -5 30216.0 1585.09 12 0 0 -5 29127.0 1201.48 4 0 0 5 26743.5 917.428 20 0 0 6 1535.37 227.925 22 0 0 6 1584.49 191.760 17 0 0 -6 1628.58 304.702 21 0 0 -6 2048.87 368.758 18 0 0 6 1645.16 266.341 20 0 0 -6 1586.32 332.767 24 0 0 6 1765.86 383.196 10 0 0 6 1595.06 310.346 9 0 0 -6 1220.49 249.243 16 0 0 -6 2028.44 249.059 22 0 0 6 1685.21 260.932 24 0 0 6 1501.35 262.909 2 0 0 6 1484.07 321.843 4 0 0 -6 2100.93 257.054 17 0 0 -6 1670.54 338.535 7 0 0 6 1483.47 241.126 18 0 0 -6 1646.30 297.400 20 0 0 6 1605.71 312.051 14 0 0 6 1534.52 375.621 12 0 0 -6 1848.56 369.529 23 0 0 6 1473.99 241.431 21 0 0 7 132079. 2084.24 17 0 0 -7 130460. 2770.02 16 0 0 7 131492. 3151.59 4 0 0 7 136078. 2583.12 24 0 0 -7 140601. 3371.48 18 0 0 7 136935. 2612.70 20 0 0 -7 138160. 2354.99 22 0 0 -7 132241. 3150.11 23 0 0 7 131403. 3040.12 14 0 0 7 134857. 2609.38 21 0 0 7 137217. 2466.41 22 0 0 -7 136555. 3089.20 7 0 0 7 128730. 3458.58 12 0 0 -7 141613. 3374.99 24 0 0 7 131093. 3028.98 9 0 0 7 135440. 2580.13 18 0 0 7 130944. 2764.48 2 0 0 -7 136364. 2482.42 17 0 0 -7 135264. 3376.93 20 0 0 7 131143. 3524.33 10 0 0 -7 135373. 3415.43 21 0 0 -8 42110.5 2033.28 21 0 0 8 38037.1 1506.27 2 0 0 8 39184.4 1701.80 9 0 0 8 39072.3 1990.47 10 0 0 8 39601.1 1312.04 22 0 0 -8 39301.4 1755.56 23 0 0 -8 38525.2 1923.16 24 0 0 -8 39013.9 1531.38 16 0 0 -8 39542.5 1708.94 7 0 0 8 40021.2 1416.47 21 0 0 -8 41644.6 1432.54 17 0 0 8 39072.2 1053.58 17 0 0 8 39841.2 1403.02 20 0 0 8 40509.2 1778.69 4 0 0 8 39549.8 1373.24 24 0 0 -8 38277.3 1911.43 20 0 0 -8 41781.5 1980.77 18 0 0 8 37849.4 1913.21 12 0 0 8 39110.8 1698.85 14 0 0 8 39902.2 1384.25 18 0 0 -8 41813.8 1261.85 22 0 0 9 1922.45 319.538 22 0 0 9 2016.12 251.052 17 0 0 9 1694.90 418.104 9 0 0 9 1732.12 323.382 21 0 0 -9 1752.52 368.106 16 0 0 9 1421.51 429.141 12 0 0 9 1566.67 343.077 2 0 0 9 1773.58 426.494 4 0 0 9 1710.69 290.276 18 0 0 9 2046.99 329.706 24 0 0 9 1908.96 415.459 14 0 0 9 2063.37 585.232 10 0 0 -9 1924.60 458.373 23 0 0 -9 1901.19 287.923 22 0 0 9 2043.32 372.516 20 0 0 -9 1794.60 429.062 7 0 0 -10 226764. 5050.72 23 0 0 10 225809. 4084.28 21 0 0 10 220140. 4834.43 9 0 0 10 219415. 4986.47 4 0 0 10 223328. 4003.86 24 0 0 10 224006. 4000.30 18 0 0 10 219917. 4395.67 2 0 0 10 224583. 3891.79 22 0 0 -10 229408. 3676.33 22 0 0 10 221248. 5418.49 12 0 0 10 218193. 3164.42 17 0 0 10 214777. 5452.99 10 0 0 -10 217796. 4414.64 16 0 0 10 223968. 4880.12 14 0 0 -10 234660. 4997.15 7 0 0 11 94637.7 2889.87 2 0 0 11 97757.5 2572.42 24 0 0 11 97972.2 2571.84 18 0 0 -11 94842.9 3351.67 23 0 0 11 97165.1 2518.28 22 0 0 11 99107.5 3339.66 4 0 0 11 95068.4 3231.03 14 0 0 11 93710.4 2569.10 21 0 0 11 94092.9 3617.47 12 0 0 -11 99649.2 3329.99 7 0 0 11 95554.6 3221.29 9 0 0 -11 94450.4 2923.40 16 0 0 11 95807.3 3667.01 10 0 0 11 96418.4 1930.53 17 0 0 12 76140.8 3103.39 4 0 0 12 74410.7 3390.45 10 0 0 12 76022.3 2381.24 21 0 0 12 78736.1 2380.95 22 0 0 -12 78036.7 2760.93 16 0 0 12 77462.3 2346.38 24 0 0 -12 74789.2 3118.34 23 0 0 12 78145.3 3053.65 9 0 0 12 74158.1 3350.58 12 0 0 12 77738.1 3046.34 14 0 0 12 77115.6 2345.13 18 0 0 12 73139.0 2657.31 2 0 0 -12 80803.0 3136.04 7 0 0 13 23209.1 1995.76 10 0 0 -13 22155.7 1728.30 23 0 0 13 22144.9 1519.51 2 0 0 13 23166.9 1933.13 12 0 0 13 21735.1 1298.00 21 0 0 13 21891.7 1688.76 9 0 0 13 22380.3 1702.84 14 0 0 13 22607.0 1755.34 4 0 0 -13 23280.2 1548.90 16 0 0 13 24295.2 1377.11 22 0 0 13 22343.9 1278.61 18 0 0 13 22990.1 1286.94 24 0 0 -13 23363.8 1749.30 7 0 0 14 592.625 293.735 14 0 0 -14 439.499 325.718 23 0 0 14 386.600 220.362 18 0 0 14 447.034 399.214 9 0 0 14 354.808 311.798 12 0 0 14 479.507 238.822 21 0 0 14 451.988 297.461 2 0 0 14 910.418 315.058 24 0 0 -14 806.984 414.724 16 0 0 -14 95.9782 323.940 7 0 0 15 7289.65 1080.85 9 0 0 15 7780.66 1088.58 14 0 0 -15 8433.32 1159.70 7 0 0 15 7683.00 982.004 2 0 0 -15 7421.62 1168.95 23 0 0 -15 8918.86 1074.41 16 0 0 15 8733.42 1337.16 12 0 0 16 21864.9 1690.56 2 0 0 16 20990.9 1881.01 9 0 0 16 19213.2 1998.90 12 0 0 -16 21387.6 1960.14 7 0 0 -16 23073.3 1788.81 16 0 0 -16 19854.1 1909.41 23 0 0 16 21117.0 1883.23 14 0 0 17 3959.02 775.468 2 0 0 -17 3661.70 781.799 16 0 0 17 3434.75 947.065 12 0 0 17 4357.88 961.513 14 0 0 -17 2935.08 821.472 23 0 0 17 2975.79 755.786 9 0 0 -17 3286.67 874.045 7 0 0 18 3587.56 788.185 2 0 0 -18 4940.55 918.730 16 0 0 18 4280.28 1015.67 14 0 0 -18 5311.82 1045.98 7 0 0 -18 3366.82 914.710 23 0 0 18 3289.95 825.218 9 0 0 18 5333.53 1232.70 12 0 0 -19 2769.23 1318.52 11 0 0 19 1527.68 663.137 9 0 0 19 1045.64 652.257 12 0 0 -19 945.132 549.896 7 0 0 19 1258.58 699.500 14 0 0 -19-450.480 656.263 23 0 0 20 18202.1 2273.17 12 0 0 20 20269.8 2167.35 9 0 0 -20 19513.7 2284.59 23 0 0 -20 21613.0 3066.60 11 0 0 20 22686.7 2290.59 14 0 0 -20 22755.4 2326.10 7 0 0 21 5828.10 1261.96 9 0 0 21 5480.64 1372.56 12 0 0 -21 5423.19 1261.75 7 0 0 21 4057.95 1048.77 14 0 1 -22 1500.12 835.737 7 0 -1 21 5205.23 1214.20 14 0 -1 21 5236.86 1222.08 9 0 1 -21 4950.29 1265.23 7 0 -1 20 5594.76 1237.94 14 0 -1 20 6002.09 1211.48 9 0 1 -20 9071.40 2189.16 11 0 1 -20 7401.63 1364.98 7 0 -1 19 428.443 506.546 14 0 1 -19 2024.61 1022.45 23 0 -1 19 807.209 524.301 9 0 1 -19-89.9900 484.278 7 0 1 -19 1955.38 1209.39 11 0 -1 19 423.041 596.490 12 0 1 -18 40269.6 4052.15 11 0 1 -18 43410.3 2872.87 7 0 -1 18 40977.5 3228.92 12 0 1 -18 40264.0 2988.41 23 0 -1 18 43848.6 3008.67 9 0 -1 18 42351.7 2980.60 14 0 -1 17 5818.99 1265.33 12 0 -1 17 4384.84 976.045 9 0 -1 17 5420.17 1132.90 14 0 1 -17 6059.05 1629.35 11 0 1 -17 4959.86 1028.97 7 0 1 -17 4932.97 855.514 16 0 1 -17 4240.08 889.366 23 0 -1 16 2612.87 748.502 14 0 1 -16 2965.52 715.481 23 0 -1 16 3361.15 839.963 9 0 1 -16 3422.05 715.555 16 0 -1 16 2786.43 843.777 12 0 1 -16 4775.17 1422.94 11 0 -1 16 2758.95 603.943 2 0 1 -16 2596.03 700.700 7 0 1 -15 10296.8 1094.73 16 0 1 -15 9665.33 1215.25 7 0 1 -15 13630.4 2069.00 11 0 1 -15 9813.81 1265.28 23 0 -1 15 10570.7 1057.45 2 0 -1 15 10182.2 1445.29 12 0 -1 15 10393.9 1482.20 10 0 -1 15 9237.93 1303.90 14 0 -1 15 9909.58 1306.91 9 0 -1 14 34677.9 1804.33 2 0 -1 14 36137.6 2356.75 9 0 -1 14 36964.7 2565.14 10 0 1 -14 34470.0 2231.31 23 0 -1 14 35267.6 1919.56 22 0 -1 14 34649.1 2305.37 14 0 -1 14 34986.3 2625.89 12 0 1 -14 35237.7 1926.25 16 0 1 -14 35915.6 2221.84 7 0 1 -13 23900.5 1324.27 17 0 -1 13 23707.3 1836.36 14 0 -1 13 25372.4 1154.88 18 0 1 -13 22592.1 1725.51 23 0 1 -13 23824.6 1718.98 7 0 -1 13 23857.9 1497.11 22 0 -1 13 24349.3 1126.90 24 0 -1 13 23014.3 2014.70 12 0 1 -13 24536.5 1536.39 16 0 -1 13 25327.7 2063.80 10 0 -1 13 23304.0 1135.53 21 0 -1 13 24326.1 1440.57 2 0 -1 13 23553.3 1807.64 9 0 -1 12 17771.6 930.359 18 0 -1 12 17096.9 1505.99 4 0 1 -12 17283.8 1393.64 7 0 -1 12 17016.9 913.122 24 0 -1 12 17129.1 1481.90 9 0 -1 12 17162.7 1685.26 12 0 -1 12 16540.1 1459.05 14 0 1 -12 16583.4 1394.32 23 0 1 -12 17031.5 1223.78 16 0 -1 12 18487.9 1185.25 2 0 -1 12 17388.4 1226.58 22 0 -1 12 15594.3 1575.73 10 0 1 -12 17097.9 1023.87 17 0 -1 12 16190.4 915.281 21 0 1 -11 7382.88 762.058 16 0 -1 11 7405.53 932.241 9 0 -1 11 7768.70 975.098 4 0 -1 11 7133.97 706.162 2 0 -1 11 7536.29 953.780 14 0 1 -11 8030.27 918.639 7 0 -1 11 7020.86 588.659 21 0 1 -11 7336.55 663.527 21 0 1 -11 7563.86 896.344 23 0 1 -11 7494.43 674.064 18 0 1 -11 7203.51 648.994 20 0 -1 11 7210.42 1034.32 10 0 1 -11 7726.72 645.827 17 0 -1 11 7410.31 579.731 24 0 -1 11 7411.59 774.694 22 0 -1 11 7110.48 1036.40 12 0 -1 11 7373.17 580.118 18 0 -1 10 58402.3 2835.45 12 0 -1 10 61650.9 2161.81 22 0 -1 10 60090.4 2497.64 9 0 -1 10 61843.9 1683.77 20 0 -1 10 57456.8 2790.36 10 0 1 -10 56698.3 2304.24 23 0 1 -10 59850.1 1861.21 20 0 1 -10 61040.4 2340.07 7 0 -1 10 59936.1 1940.61 2 0 -1 10 58860.2 2618.41 4 0 1 -10 60951.0 1890.80 18 0 -1 10 60610.4 1650.49 24 0 1 -10 60035.4 1881.32 21 0 -1 10 58904.5 1625.45 17 0 1 -10 58501.9 2030.46 16 0 -1 10 62216.9 1670.18 18 0 1 -10 60477.4 1752.82 17 0 -1 10 59420.4 2494.66 14 0 -1 10 61509.4 1704.14 21 0 -1 9 16334.8 799.264 20 0 1 -9 16830.8 908.302 20 0 -1 9 16336.1 813.346 21 0 1 -9 14884.9 960.159 16 0 -1 9 16676.5 1316.42 4 0 -1 9 16839.2 1238.37 9 0 -1 9 15965.8 797.807 17 0 1 -9 16467.9 916.727 21 0 -1 9 16571.7 793.223 18 0 -1 9 17277.9 1465.17 12 0 -1 9 16577.0 1062.62 22 0 1 -9 17700.5 936.464 18 0 1 -9 16943.8 871.097 17 0 1 -9 16925.0 1166.79 23 0 -1 9 16937.4 1448.59 10 0 -1 9 16150.0 1219.21 14 0 -1 9 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89554.2 3556.38 23 0 4 10 89853.8 3504.06 2 0 4 10 87900.6 3420.63 24 0 4 10 86762.4 3290.31 12 0 4 10 83771.4 3348.26 18 0 -4 -10 87372.3 3551.13 7 0 4 10 90735.4 2423.72 4 0 -4 -10 84614.0 2678.93 1 0 4 10 90686.0 2203.85 9 0 4 11 45261.4 1655.83 9 0 -4 -11 44592.3 2630.59 23 0 4 11 45474.8 1769.79 4 0 4 11 44646.9 2482.91 24 0 -4 -11 43156.4 2547.12 16 0 -4 -11 44733.1 2614.57 7 0 4 11 44539.8 2365.95 12 0 4 11 43097.5 1627.34 14 0 4 11 44954.0 2568.65 2 0 -4 -11 43309.9 2003.36 1 0 4 11 42312.6 2433.07 18 0 4 11 42201.8 2466.64 21 0 4 12 22078.6 1857.34 2 0 -4 -12 21847.0 1902.17 23 0 -4 -12 21364.5 1881.55 16 0 4 12 21313.2 1772.72 18 0 -4 -12 20622.2 1883.10 7 0 4 12 20965.7 1795.47 21 0 4 12 21974.0 1812.79 24 0 4 12 21242.4 1697.85 12 0 4 12 22614.6 1261.08 14 0 4 12 22027.5 1286.59 4 0 4 12 22726.7 1258.64 9 0 4 13 2380.72 751.093 2 0 -4 -13 2482.09 776.875 7 0 4 13 1685.95 576.159 12 0 4 13 2296.98 662.477 24 0 -4 -13 1664.49 568.531 16 0 4 13 1609.98 502.822 18 0 -4 -13 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1672.38 9 -3 3 -10 19754.3 1663.38 17 3 -3 11 23019.1 2311.02 15 3 -3 11 24213.4 1964.41 14 3 -3 11 24061.3 1969.50 3 3 -3 11 24286.0 2003.35 22 3 -3 11 23977.9 1841.77 21 -3 3 -11 26665.4 3877.83 11 -3 3 -11 24374.0 2827.56 6 3 -3 11 26562.1 1921.63 20 3 -3 11 22015.3 2531.09 10 3 -3 11 24905.8 1854.37 18 -3 3 -11 25463.7 1908.52 17 3 -3 11 24538.0 1972.28 9 -3 3 -12 571.208 499.290 17 3 -3 12 1.96176 420.371 9 3 -3 12 509.815 493.111 15 3 -3 12-245.369 515.770 14 3 -3 12 624.999 493.333 22 3 -3 12 552.778 447.416 21 -3 3 -12 1459.55 1163.12 11 3 -3 12 948.838 693.918 20 3 -3 12 158.972 416.615 3 -3 3 -12 1467.49 1100.00 6 3 -3 12-254.923 664.266 10 3 -3 12-289.059 525.511 18 -3 3 -13 1094.04 562.969 17 3 -3 13 1070.28 745.770 15 3 -3 13 1093.17 463.423 14 3 -3 13 113.418 420.746 9 3 -3 13 1256.38 656.865 21 3 -3 13-104.330 480.034 3 -3 3 -13 1957.65 1392.95 11 3 -3 13 1212.48 646.344 20 -3 3 -13 431.388 943.994 6 3 -3 13-437.668 883.942 10 -3 3 -13 2436.71 860.698 23 3 -3 13 777.886 582.628 22 3 -3 13 950.684 641.150 18 -3 3 -14 7634.07 1151.13 17 3 -3 14 8706.06 1319.54 9 3 -3 14 6455.86 1390.33 15 3 -3 14 8168.14 1332.09 14 -3 3 -14 10414.1 2602.75 11 3 -3 14 7450.43 1210.57 22 -3 3 -14 10024.1 2103.89 6 3 -3 14 8166.46 2021.04 10 -3 3 -15 21161.3 3578.04 11 3 -3 15 18427.7 2013.75 14 3 -3 15 18737.2 1942.93 22 -3 3 -15 20657.9 3041.40 6 3 -3 15 25948.6 3698.97 10 -3 3 -15 18470.1 1792.56 17 3 -3 15 20110.8 2075.55 9 -3 3 -16 95.8127 378.573 17 3 -3 16 686.890 602.173 9 3 -3 16 313.060 523.640 14 3 -3 16 208.618 402.930 22 -3 3 -16-479.751 1497.47 11 -3 3 -16 1086.81 1082.35 6 3 -3 16 991.949 956.561 10 3 -3 17 9113.05 1530.58 9 3 -3 17 9966.99 1616.93 14 3 -3 17 10652.0 1558.38 22 -3 3 -17 9605.29 2416.60 11 -3 3 -17 9926.67 2369.25 6 3 -3 17 11979.4 2635.38 10 3 -3 18 1990.27 900.771 9 3 -3 18 2694.62 973.181 14 3 -3 18 2422.64 807.119 22 -3 3 -18 894.240 899.423 11 -3 3 -18 2609.79 1319.90 6 3 -3 18 2218.52 1454.78 10 3 -3 19 36798.1 4349.59 10 3 -3 20 3136.27 1458.77 10 -3 2 19 33800.9 3410.27 12 3 -2 -18 164.904 533.071 16 -3 2 18 341.306 524.180 2 -3 2 18 1121.77 690.494 12 -3 2 17 1313.49 947.751 12 3 -2 -17 1382.33 772.544 16 -3 2 17 956.567 629.351 2 3 -2 -17 898.689 585.711 7 3 -2 -17 853.453 548.977 23 3 -2 -16 257.305 563.507 16 3 -2 -16-133.635 543.976 23 -3 2 16 732.070 762.078 12 -3 2 16 419.950 509.154 2 3 -2 -16 1622.97 767.366 7 3 -2 -15 1395.75 589.407 16 -3 2 15 672.647 466.855 4 3 -2 -15 521.632 603.209 23 -3 2 15 732.503 610.584 12 -3 2 15 554.390 426.897 2 3 -2 -15 483.821 488.355 7 3 -2 -14 4109.73 986.062 16 -3 2 14 4712.58 866.592 24 3 -2 -14 5684.39 1115.99 23 3 -2 -14 4693.53 1033.50 7 -3 2 14 4761.42 984.585 2 -3 2 14 4401.68 1162.28 12 3 -2 -14 4564.88 848.243 20 -3 2 14 4971.40 971.681 4 -3 2 14 4630.21 826.754 18 3 -2 -13 277.606 491.790 16 3 -2 -13 1071.68 617.264 7 -3 2 13 1405.76 593.475 4 -3 2 13 679.704 385.151 24 3 -2 -13 1359.95 607.292 23 -3 2 13 828.492 411.993 2 -3 2 13-276.348 858.769 12 3 -2 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2613.05 1040.85 10 -4 5 -10 415.843 391.226 17 4 -5 10 694.396 539.969 9 4 -5 10 767.525 695.020 10 4 -5 10 844.455 905.125 15 4 -5 10 531.179 400.237 14 4 -5 10 483.695 632.150 22 4 -5 10 1088.46 597.967 21 -4 5 -10-1474.37 1504.07 11 4 -5 10 197.751 351.877 20 4 -5 10 115.512 402.232 3 -4 5 -10 957.956 890.990 6 -4 5 -11 2383.73 831.702 17 4 -5 11 2465.23 751.582 9 4 -5 11 1251.66 513.625 15 4 -5 11 2345.33 793.831 14 4 -5 11 2977.07 805.778 21 -4 5 -11 716.179 1190.98 11 4 -5 11 2458.88 666.007 20 4 -5 11 2261.28 694.198 3 4 -5 11 2617.45 892.552 22 -4 5 -11 1997.20 890.175 6 4 -5 11 2419.91 915.467 10 4 -5 11 3316.13 869.483 18 4 -5 12 37294.5 3515.99 15 4 -5 12 39942.4 2870.95 14 4 -5 12 40770.3 3060.24 3 4 -5 12 40064.5 3109.35 22 -4 5 -12 32231.0 4355.50 11 -4 5 -12 36658.4 3906.11 6 4 -5 12 42178.8 3817.35 10 -4 5 -12 40241.5 2930.03 17 4 -5 12 41309.4 2906.12 9 -4 5 -13 1434.97 732.730 17 4 -5 13 2148.92 757.382 9 4 -5 13 1304.11 839.593 15 4 -5 13 2075.63 853.767 14 4 -5 13 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281145. 7262.42 8 4 3 4 282254. 7416.12 24 4 3 4 273792. 7384.88 13 4 3 4 286711. 7554.03 21 4 3 4 290179. 7504.23 20 4 3 4 295242. 6787.50 10 4 3 4 288954. 7471.59 18 -4 -3 -4 282833. 7089.15 5 -4 -3 -5 178389. 4964.92 11 4 3 5 121972. 4517.27 8 4 3 5 117798. 4659.50 13 4 3 5 141531. 5355.07 21 -4 -3 -5 177141. 4506.27 6 4 3 5 136631. 5208.78 20 4 3 5 136865. 5211.40 24 4 3 5 145720. 4872.84 10 4 3 5 140994. 5255.55 18 -4 -3 -5 127157. 4437.75 5 -4 -3 -6 26244.0 1038.11 15 4 3 6 24860.2 1956.29 8 4 3 6 29586.6 2450.59 24 4 3 6 24772.6 2071.87 13 4 3 6 29616.4 2486.58 21 -4 -3 -6 26297.7 1989.52 11 4 3 6 30356.0 2494.00 20 4 3 6 28844.2 2246.39 10 4 3 6 29497.9 2458.81 18 -4 -3 -6 24130.6 1860.08 5 -4 -3 -7 15714.6 993.961 15 4 3 7 13292.3 1400.82 8 4 3 7 15076.5 1855.91 24 4 3 7 12242.2 1455.05 13 -4 -3 -7 15173.9 1914.87 23 4 3 7 17456.9 1970.33 21 -4 -3 -7 7272.92 1011.30 7 -4 -3 -7 10512.5 1299.83 11 4 3 7 14867.3 1855.54 20 4 3 7 14555.2 1673.30 10 4 3 7 17149.8 1898.78 18 -4 -3 -7 13453.4 1370.74 5 -4 -3 -8 12378.2 998.963 15 4 3 8 9030.67 1110.47 8 4 3 8 9373.99 1357.32 13 -4 -3 -8 8573.44 1456.73 23 -4 -3 -8 10883.8 966.748 12 4 3 8 12436.1 1797.15 21 -4 -3 -8 5090.82 907.242 7 4 3 8 12845.0 1748.46 20 -4 -3 -8 5789.32 1008.07 11 4 3 8 11297.0 1595.91 10 4 3 8 13014.4 1812.94 24 4 3 8 11627.9 1710.44 18 -4 -3 -8 9195.04 1154.91 5 -4 -3 -9 62391.2 2954.96 5 4 3 9 66872.6 3009.47 8 4 3 9 79015.2 4328.78 24 4 3 9 67181.6 3471.68 13 -4 -3 -9 47319.1 3409.67 23 -4 -3 -9 63266.4 3416.04 7 -4 -3 -9 73317.6 2616.15 12 4 3 9 78884.0 4379.14 20 4 3 9 76423.4 4345.68 21 4 3 9 74962.8 4100.56 10 4 3 9 77083.7 4289.78 18 -4 -3 -10 766.516 464.011 5 4 3 10-23.2793 481.037 14 4 3 10 460.118 314.279 8 4 3 10 171.584 240.096 22 4 3 10 1153.08 766.762 13 -4 -3 -10 332.304 393.071 7 4 3 10 1120.58 785.131 21 4 3 10 736.856 764.654 24 -4 -3 -10-273.835 663.834 11 4 3 10 900.962 773.533 20 4 3 10 1008.22 747.797 10 4 3 10 978.689 770.551 18 4 3 10 1.51573 483.463 9 -4 -3 -10-1098.84 1027.69 23 4 3 11 652.809 402.611 9 -4 -3 -11 1908.57 685.988 5 4 3 11 807.345 541.557 14 -4 -3 -11-285.464 958.573 23 4 3 11 687.338 296.640 22 -4 -3 -11 1464.04 720.599 7 4 3 11 1886.68 920.532 21 -4 -3 -11 68.0840 469.948 11 4 3 11 1302.93 784.727 20 4 3 11 1137.65 476.407 8 4 3 11 1233.05 738.653 10 4 3 11 988.113 662.721 24 4 3 11 1979.42 889.960 18 4 3 12-176.667 446.906 9 -4 -3 -12 376.490 526.334 5 4 3 12 277.042 393.358 14 4 3 12 194.952 218.842 22 -4 -3 -12 606.762 710.721 7 4 3 12 515.241 730.537 21 -4 -3 -12-374.137 676.530 11 4 3 12-234.335 468.690 20 -4 -3 -12-793.900 1010.73 23 4 3 12-325.970 620.060 24 4 3 12 1784.74 985.215 10 4 3 12-1432.23 872.036 2 4 3 12-136.595 441.266 18 -4 -3 -13 25325.5 1947.19 5 4 3 13 21867.0 1530.51 22 4 3 13 21371.7 1945.96 14 4 3 13 20658.4 2397.91 24 4 3 13 20434.0 1999.30 2 -4 -3 -13 14208.6 1974.09 23 -4 -3 -13 23749.4 2192.82 7 4 3 13 22583.5 2524.74 21 -4 -3 -13 17825.6 2128.16 11 4 3 13 21201.6 2411.41 20 4 3 13 23927.2 2694.30 10 4 3 13 21669.0 2443.47 18 4 3 13 21128.7 1905.35 9 -4 -3 -14 66667.6 3195.03 5 -4 -3 -14 67109.3 3046.46 16 4 3 14 65005.6 3649.17 2 4 3 14 61010.6 3348.18 14 4 3 14 57419.4 3988.26 24 4 3 14 56260.3 4066.27 21 -4 -3 -14 51221.4 3777.23 11 4 3 14 57486.3 4065.75 20 4 3 14 73053.1 4782.47 10 -4 -3 -14 72488.9 3881.57 7 4 3 14 54504.8 3937.72 18 4 3 14 64433.0 3390.84 9 -4 -3 -14 46994.9 3792.33 23 -4 -3 -15 66194.4 4461.69 11 4 3 15 82827.7 3979.34 14 4 3 15 83720.8 4186.89 2 -4 -3 -15 64859.7 4597.35 23 4 3 15 64626.2 4434.27 21 4 3 15 64759.7 4453.34 20 4 3 15 67339.0 4431.96 24 4 3 15 90991.7 5509.37 10 4 3 15 64790.4 4382.44 18 -4 -3 -15 96384.5 4526.44 7 4 3 15 83773.6 3994.63 9 4 3 16 57951.8 3505.68 2 4 3 16 56774.9 3384.49 14 4 3 16 45679.8 3689.34 24 -4 -3 -16 39833.1 3696.68 23 -4 -3 -16 60814.2 3749.85 7 4 3 16 42098.2 3598.73 21 -4 -3 -16 45976.2 3826.45 11 4 3 16 39439.9 3485.52 20 4 3 16 61698.0 4710.92 10 4 3 16 42168.5 3556.88 18 4 3 16 56840.0 3359.13 9 4 3 17 1334.00 837.011 9 4 3 17 1242.72 713.133 14 4 3 17 236.322 485.846 24 -4 -3 -17-1047.84 1061.91 23 -4 -3 -17 2430.03 1106.26 7 -4 -3 -17 502.269 621.464 11 4 3 17-440.235 882.950 20 4 3 17 1150.40 804.548 2 4 3 17 898.769 891.431 10 4 3 17-100.566 1001.50 21 4 3 17-579.975 875.035 18 4 3 18 20382.5 2201.36 14 4 3 18 17873.7 2066.37 2 -4 -3 -18 12595.0 2033.47 23 -4 -3 -18 20557.1 2318.51 7 4 3 18 12700.5 1925.31 21 4 3 18 12430.9 1957.46 20 -4 -3 -18 12645.1 2187.57 11 4 3 18 20142.8 2856.45 10 4 3 18 13616.2 2052.69 24 4 3 18 12634.3 1981.44 18 4 3 18 21003.8 2246.98 9 4 3 19 1293.17 866.509 9 4 3 19 1653.42 802.205 14 -4 -3 -19 902.489 910.175 7 -4 -3 -19-929.252 1113.93 11 4 3 19 1673.06 785.368 2 4 3 19 1290.61 733.501 10 4 3 20 9355.34 1601.03 9 4 3 20 8221.58 1518.76 14 -4 -3 -20 5130.45 1247.38 23 -4 -3 -20 10853.5 1897.43 7 -4 -3 -20 5185.78 1408.45 11 4 3 20 9619.28 1547.72 2 4 3 20 6267.86 1750.25 10 4 3 21 2034.22 804.472 9 4 3 21 1561.01 602.807 14 4 4 -18 509.576 615.773 16 4 4 -17 8233.12 1452.69 16 -4 -4 17 6459.29 1448.43 4 4 4 -17 6411.15 1277.32 7 -4 -4 17 6941.86 1942.83 12 4 4 -16 989.439 641.467 16 -4 -4 16 1196.16 854.570 4 4 4 -16 1367.07 647.727 7 -4 -4 16 185.420 753.997 12 4 4 -15 6914.84 1279.85 16 -4 -4 15 7419.81 1544.41 4 4 4 -15 6723.55 1194.14 7 -4 -4 15 6768.32 1726.82 12 4 4 -14 40194.6 2838.17 16 -4 -4 14 35185.2 3091.83 4 4 4 -14 41269.6 3445.83 8 4 4 -14 40692.4 2788.63 7 -4 -4 14 35240.5 3816.08 12 4 4 -13 9992.97 1418.44 16 4 4 -13 12443.1 1772.75 8 -4 -4 13 9817.69 1595.35 4 4 4 -13 10794.7 1250.30 23 4 4 -13 9815.92 1354.49 7 -4 -4 13 6474.71 1654.78 12 4 4 -12 29837.1 2297.65 16 -4 -4 12 27493.8 2596.55 4 4 4 -12 28473.2 2586.36 8 4 4 -12 28329.4 2232.39 7 4 4 -12 28102.0 1963.49 13 4 4 -12 26928.8 1912.76 23 -4 -4 12 22236.8 2838.08 12 4 4 -11 1354.67 631.556 16 -4 -4 11 1444.59 446.179 1 4 4 -11 100.973 600.614 8 -4 -4 11 2225.39 713.023 4 4 4 -11 1649.51 461.855 13 -4 -4 11 1449.18 800.852 12 -4 -4 10 140164. 3992.30 1 4 4 -10 132303. 4679.57 16 -4 -4 10 130571. 5420.12 4 4 4 -10 137399. 5347.93 8 4 4 -10 135790. 4210.72 13 -4 -4 10 125400. 4894.95 19 4 4 -9 706.283 408.055 16 4 4 -9 671.450 499.270 8 -4 -4 9 1042.00 668.311 4 -4 -4 9 843.820 343.957 1 4 4 -9 740.947 331.808 13 -4 -4 9 868.277 762.971 12 -4 -4 9 1558.94 623.610 19 4 4 -8 36012.5 2565.58 8 -4 -4 8 35989.0 2680.90 4 -4 -4 8 35880.3 1891.87 1 4 4 -8 30179.0 1349.81 24 4 4 -8 36072.9 2070.33 13 -4 -4 8 30653.5 2950.92 12 -4 -4 8 32128.8 2288.47 19 4 4 -7 5105.26 952.305 8 -4 -4 7 5923.55 1117.51 4 4 4 -7 5751.06 722.151 24 4 4 -7 5335.36 836.248 13 -4 -4 7 5654.44 747.105 1 4 4 -7 6208.30 742.215 21 -4 -4 7 4222.72 1176.51 12 4 4 -7 6522.17 754.737 20 -4 -4 7 5340.72 947.876 19 4 4 -7 5949.26 731.864 18 4 4 -6 17688.4 1760.44 8 -4 -4 6 19955.8 1908.23 4 -4 -4 6 18685.3 1334.94 1 4 4 -6 22774.6 1536.46 24 4 4 -6 17648.7 1467.90 13 -4 -4 6 16865.3 2062.83 12 4 4 -6 22714.9 1558.81 21 4 4 -6 22093.6 1520.39 20 -4 -4 6 16519.5 934.386 20 -4 -4 6 18937.6 1681.85 19 4 4 -6 17062.7 772.601 10 4 4 -6 14548.0 518.941 10 4 4 -6 22525.2 1529.44 18 4 4 -5 3168.50 781.345 8 -4 -4 5 2520.01 746.584 4 4 4 -5 3699.07 737.572 13 4 4 -5 4564.53 771.399 21 -4 -4 5 3190.80 918.621 12 4 4 -5 4010.30 744.201 20 -4 -4 5 3673.61 789.815 19 -4 -4 5 3277.76 617.025 1 4 4 -5 3447.32 725.448 18 4 4 -5 3370.78 740.382 24 4 4 -4 103185. 4256.77 8 -4 -4 4 98754.6 4083.93 4 4 4 -4 110231. 3726.30 24 -4 -4 4 109000. 3389.08 1 -4 -4 4 100213. 4503.20 12 4 4 -4 114507. 3845.35 21 4 4 -4 113687. 3809.40 20 4 4 -4 108871. 3640.00 13 -4 -4 4 104726. 3775.63 19 4 4 -4 111849. 3741.07 18 4 4 -3 25877.4 2113.31 8 -4 -4 3 24593.0 1963.50 4 4 4 -3 28581.5 1928.92 24 -4 -4 3 28037.3 1738.08 1 4 4 -3 28004.5 1920.52 21 4 4 -3 27483.9 1041.83 6 4 4 -3 29967.3 1974.33 20 -4 -4 3 29039.1 1938.66 19 -4 -4 3 30697.9 2328.91 12 4 4 -3 22604.0 798.278 10 4 4 -3 28637.7 1932.76 18 4 4 -3 28157.3 1882.09 13 4 4 -2 123956. 4719.66 8 -4 -4 2 125207. 4442.00 4 4 4 -2 147704. 4614.35 24 4 4 -2 138746. 4388.33 13 4 4 -2 129545. 1901.35 6 -4 -4 2 151183. 4953.95 12 4 4 -2 146725. 4670.26 21 -4 -4 2 143130. 4200.07 1 4 4 -2 149424. 4658.71 20 -4 -4 2 147848. 4461.25 19 4 4 -2 136546. 2599.10 10 4 4 -2 145257. 4561.91 18 4 4 -1 111231. 4543.72 8 -4 -4 1 112783. 4137.17 4 4 4 -1 140201. 4649.54 24 4 4 -1 129923. 4465.25 13 -4 -4 1 143879. 4570.28 12 4 4 -1 142774. 4738.25 21 -4 -4 1 134109. 4339.10 1 4 4 -1 139709. 2793.71 11 4 4 -1 143516. 4702.87 20 -4 -4 1 137855. 4381.22 19 4 4 -1 144618. 3077.36 10 4 4 -1 137786. 4598.81 18 4 4 0 115417. 4699.24 8 4 4 0 130462. 3009.50 15 -4 -4 0 121209. 4178.47 4 4 4 0 145074. 4887.88 24 -4 -4 0 160371. 4471.85 12 4 4 0 152643. 5045.89 21 4 4 0 139856. 2782.04 11 4 4 0 151780. 4989.75 20 -4 -4 0 128440. 4544.47 1 -4 -4 0 137258. 4494.48 19 4 4 0 156283. 3551.73 10 -4 -4 0 149154. 3128.98 10 4 4 0 147318. 4897.01 18 4 4 0 115355. 4498.19 13 -4 -4 -1 6692.66 923.777 4 4 4 1 6495.34 585.208 15 4 4 1 6200.68 1113.78 8 -4 -4 -1 5959.76 988.142 1 4 4 1 4843.94 935.522 13 -4 -4 -1 8138.04 937.962 12 4 4 1 7198.77 1137.96 24 4 4 1 8132.70 1187.23 21 4 4 1 6367.44 601.669 11 4 4 1 7647.36 1131.07 20 4 4 1 8690.06 892.524 10 -4 -4 -1 5166.94 900.467 19 4 4 1 8932.72 1236.61 18 4 4 2 158362. 5527.24 8 -4 -4 -2 174311. 3932.29 12 -4 -4 -2 158734. 4434.12 4 4 4 2 174799. 5601.24 24 4 4 2 154514. 5604.30 13 4 4 2 167735. 5618.05 21 4 4 2 137934. 3371.28 11 4 4 2 171748. 5613.05 20 -4 -4 -2 136970. 4946.33 19 4 4 2 177304. 4452.81 10 4 4 2 167250. 5518.34 18 -4 -4 -2 143563. 5297.29 1 4 4 3 3691.08 957.311 13 -4 -4 -3 3307.47 883.429 1 4 4 3 3145.46 877.321 8 -4 -4 -3 2571.92 580.839 4 -4 -4 -3 2712.60 838.460 23 -4 -4 -3 2749.43 425.828 12 4 4 3 2339.65 747.835 21 -4 -4 -3 2785.93 358.535 6 4 4 3 2659.54 457.325 11 4 4 3 1819.38 725.473 20 -4 -4 -3 2284.00 457.528 11 4 4 3 2573.18 823.050 24 4 4 3 3102.81 678.636 10 4 4 3 3628.72 895.484 18 -4 -4 -3 2189.87 329.277 6 -4 -4 -4 70581.5 3706.85 1 4 4 4 73701.8 3708.00 8 -4 -4 -4 70144.8 2694.73 4 4 4 4 77330.3 4053.05 13 -4 -4 -4 70391.6 1951.20 12 4 4 4 71715.8 3810.73 21 4 4 4 71179.5 3730.42 24 -4 -4 -4 72163.5 2588.36 11 4 4 4 76990.9 3876.31 20 -4 -4 -4 78451.1 4038.65 23 4 4 4 74084.0 3211.11 10 4 4 4 73730.4 3785.40 18 -4 -4 -5 4464.69 1016.87 23 4 4 5 4209.68 944.462 8 4 4 5 4831.81 1099.82 24 4 4 5 4274.98 1107.15 13 -4 -4 -5 3744.94 367.531 12 -4 -4 -5 3094.30 790.339 1 4 4 5 4039.23 1022.92 21 -4 -4 -5 3451.83 648.302 11 4 4 5 3647.52 901.849 20 4 4 5 4603.16 900.672 10 4 4 5 4788.20 1077.99 18 -4 -4 -6 193067. 6209.29 1 4 4 6 260563. 7523.41 24 4 4 6 216134. 6398.67 8 4 4 6 209474. 6863.75 13 -4 -4 -6 221012. 7107.45 23 -4 -4 -6 230607. 2952.67 12 4 4 6 263477. 7723.69 21 -4 -4 -6 203072. 5228.70 11 4 4 6 261988. 7662.48 20 4 4 6 262843. 6797.72 10 4 4 6 259164. 7519.93 18 -4 -4 -7-33.0292 385.176 5 4 4 7 636.236 652.940 24 -4 -4 -7 206.224 196.720 15 4 4 7-292.039 488.168 8 -4 -4 -7-516.817 740.179 23 4 4 7 792.191 373.132 13 -4 -4 -7-1062.24 1044.16 7 4 4 7 1078.00 638.284 21 -4 -4 -7-215.213 387.065 11 4 4 7 624.825 614.962 20 4 4 7 615.054 538.627 10 4 4 7 490.309 517.246 18 -4 -4 -8 22236.6 1269.78 15 4 4 8 13579.2 1489.38 8 4 4 8 20460.9 2166.77 24 4 4 8 13636.7 1637.14 13 -4 -4 -8 11078.4 1559.14 23 -4 -4 -8 14606.8 1691.09 7 -4 -4 -8 18901.6 646.724 12 4 4 8 20972.3 2226.67 21 -4 -4 -8 12385.8 1399.05 11 4 4 8 20271.7 2163.27 20 4 4 8 22721.2 2133.58 10 4 4 8 22694.3 2292.99 18 -4 -4 -8 19353.0 1750.47 5 -4 -4 -9 4641.75 865.693 5 -4 -4 -9 2745.10 666.288 23 4 4 9 5232.23 886.600 8 4 4 9 4186.20 973.552 13 -4 -4 -9 6287.17 445.268 12 4 4 9 5926.50 1302.72 21 -4 -4 -9 5328.87 1035.01 7 4 4 9 6266.88 1197.39 24 4 4 9 6419.38 1288.77 20 -4 -4 -9 3517.81 782.677 11 4 4 9 7350.28 1310.58 10 4 4 9 6763.73 1360.70 18 -4 -4 -10 1099.96 420.580 5 -4 -4 -10 654.337 532.385 23 4 4 10 1217.39 425.430 8 4 4 10 1297.07 612.433 24 4 4 10 2051.60 826.363 13 -4 -4 -10 1515.20 758.830 7 4 4 10 1122.75 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481.426 3 -5 7 -4 399.277 964.758 6 5 -7 4 147.007 447.048 10 5 -7 5 38931.6 5029.71 15 5 -7 5 39136.4 3189.97 22 5 -7 5 40371.7 3173.13 3 5 -7 5 37355.8 3031.20 21 -5 7 -5 37866.0 3634.01 11 5 -7 5 42394.9 3180.49 20 -5 7 -5 38621.7 4105.87 6 5 -7 5 39000.5 3332.16 10 -5 7 -5 39364.3 3121.98 17 -5 7 -6 2667.25 907.258 17 5 -7 6 2554.21 1329.99 15 5 -7 6 2506.31 832.043 20 5 -7 6 2759.54 976.184 22 5 -7 6 2417.91 828.493 21 -5 7 -6 1166.62 948.850 11 5 -7 6 2609.85 931.178 3 -5 7 -6 2009.19 1109.52 6 5 -7 6 2573.37 902.731 10 5 -7 7 5459.30 1806.34 15 5 -7 7 5085.49 1255.74 22 5 -7 7 5350.63 1241.58 21 5 -7 7 5615.50 1235.07 20 -5 7 -7 3658.00 1181.26 11 5 -7 7 4773.90 1214.18 10 5 -7 8 2973.56 1495.03 15 5 -7 8 3085.41 920.749 21 5 -7 8 4059.93 1071.14 20 -5 7 -8 3340.66 1197.20 11 5 -7 8 5701.09 1518.97 10 5 -7 9 39603.1 4479.98 15 5 -7 9 42592.8 3290.36 21 -5 7 -9 35528.1 4104.07 11 5 -7 9 39973.2 3104.67 20 5 -7 9 41064.9 3713.54 10 -5 6 9 36045.2 5088.35 12 5 -6 -8 993.816 763.214 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816.914 12 10 5 -2 770.962 627.618 21 10 5 -2-267.722 475.937 20 -10 -5 2 1060.90 1242.50 19 10 5 -2-549.323 861.732 18 10 5 -1 6784.27 1563.97 16 10 5 -1 10153.3 2003.39 8 -10 -5 1 8407.36 1713.31 4 -10 -5 1 8919.60 1710.47 12 10 5 -1 6389.28 1511.31 21 10 5 -1 7128.94 1484.40 20 -10 -5 1 8866.77 1955.85 19 10 5 -1 6560.10 1429.10 18 10 5 0 10785.4 1803.25 16 10 5 0 15116.3 2465.67 8 -10 -5 0 12534.8 1980.35 4 -10 -5 0 16430.3 2139.43 12 10 5 0 11984.4 2036.57 21 10 5 0 10300.5 1867.10 20 -10 -5 0 13735.5 2324.79 19 10 5 0 10148.3 1828.54 18 -10 -5 -1 5866.94 1406.96 1 10 5 1 2590.74 903.706 16 10 5 1 5305.20 1524.84 8 -10 -5 -1 4093.91 1152.45 4 10 5 1 3604.87 1087.30 13 -10 -5 -1 4937.38 1199.21 12 10 5 1 1830.22 725.431 21 10 5 1 3337.34 917.402 20 -10 -5 -1 3743.34 1271.63 19 10 5 1 2404.12 753.384 18 10 5 2 9837.58 1675.10 16 -10 -5 -2 15189.6 2075.38 4 10 5 2 13255.6 2213.75 8 10 5 2 8782.20 1733.90 24 10 5 2 16393.6 2268.69 13 10 5 2 10972.2 2005.97 21 10 5 2 9306.05 1856.82 20 -10 -5 -2 15766.3 2126.85 1 -10 -5 -2 14456.2 2334.45 19 10 5 2 10249.3 1898.73 18 10 5 3 4505.67 1497.63 8 10 5 3 1754.65 556.619 24 -10 -5 -3 4109.72 1134.87 4 -10 -5 -3 4933.23 1273.82 1 10 5 3 4478.16 1247.38 13 10 5 3 2170.66 726.843 21 10 5 3 3044.63 1060.17 20 -10 -5 -3 5324.68 1507.52 19 10 5 3 2482.96 835.005 18 10 5 4 138741. 7182.26 8 -10 -5 -4 113086. 5652.92 4 10 5 4 91672.3 5857.93 24 10 5 4 124255. 6554.09 13 10 5 4 94193.1 6060.33 21 10 5 4 86183.2 5744.06 20 -10 -5 -4 122507. 6401.05 19 10 5 4 87995.2 5775.18 18 -10 -5 -4 118332. 5823.60 1 10 5 5 1544.72 1276.02 8 10 5 5-1725.83 1320.54 24 -10 -5 -5 189.024 469.088 4 10 5 5 620.339 733.467 13 10 5 5-951.480 1227.07 21 10 5 5-869.947 1075.31 20 -10 -5 -5 1398.80 967.706 19 -10 -5 -5 992.469 810.915 1 10 5 5-1572.05 1278.75 18 10 5 6 68207.2 5119.78 8 -10 -5 -6 60204.2 4090.26 4 10 5 6 45768.7 4207.52 24 10 5 6 59487.7 4660.84 13 10 5 6 44812.5 4276.56 21 10 5 6 42842.8 4140.76 20 -10 -5 -6 58863.6 4432.55 19 10 5 6 45487.9 3611.11 10 10 5 6 43436.3 4115.23 18 -10 -5 -6 60524.1 4348.99 1 10 5 7 7284.54 1827.79 8 10 5 7 1424.93 816.393 24 -10 -5 -7 4086.14 1175.75 4 -10 -5 -7 4540.97 1290.04 1 10 5 7 2816.99 1019.26 21 10 5 7 2336.38 921.172 20 -10 -5 -7 4990.32 1426.64 19 10 5 7 2467.76 775.034 10 10 5 7 2266.94 826.722 18 10 5 8 11481.3 2322.65 8 10 5 8 5787.47 1496.96 24 -10 -5 -8 7499.87 1478.50 4 10 5 8 6682.68 1742.18 21 10 5 8 5242.68 1474.82 20 -10 -5 -8 7363.67 1633.74 1 10 5 8 5316.63 1315.29 10 10 5 8 7082.15 1628.41 18 -10 -5 -8 8877.79 2027.70 5 -10 -5 -9-248.132 834.853 1 10 5 9 874.644 952.789 8 10 5 9-1219.22 1232.74 24 10 5 9 1.68239 647.495 21 10 5 9-596.936 865.795 20 10 5 9-348.019 567.352 10 10 5 9-948.125 930.547 18 -10 -5 -9 1388.56 1178.45 5 -10 -5 -10 11193.5 2201.42 5 10 5 10 13825.6 2440.67 8 -10 -5 -10 7751.93 1520.93 1 10 5 10 10444.0 1919.07 10 10 5 11 1059.81 1250.31 22 10 5 11 618.219 684.468 10 10 5 12 16011.2 2459.02 10 -10 -6 5 514.652 527.208 12 10 6 -4 23796.1 3064.95 8 -10 -6 4 18173.4 2390.81 12 10 6 -3 359.194 829.003 16 10 6 -3 2793.29 1064.70 8 -10 -6 3 4481.22 1349.40 4 -10 -6 3 2987.93 1017.52 12 10 6 -2 6098.13 1270.00 16 10 6 -2 12632.7 2186.96 8 -10 -6 2 15594.8 2253.15 4 -10 -6 2 13089.8 1892.34 12 -10 -6 2 12627.2 2493.60 19 10 6 -1-1986.53 1226.75 16 10 6 -1 1329.13 970.315 8 -10 -6 1 1007.99 727.070 4 10 6 -1-1241.03 1032.62 24 10 6 -1 1306.89 891.228 13 10 6 -1-1021.03 938.541 21 10 6 -1-726.749 906.855 20 -10 -6 1 2547.82 1420.75 19 10 6 -1-367.789 806.428 18 10 6 0 5356.02 1183.70 16 10 6 0 11473.7 2064.23 8 -10 -6 0 12062.5 1884.48 4 10 6 0 6442.01 1462.91 24 10 6 0 12017.7 1920.48 13 10 6 0 6318.65 1439.12 21 -10 -6 0 14380.7 2197.32 1 10 6 0 7239.92 1558.16 20 -10 -6 0 10822.5 2037.50 19 10 6 0 8184.76 1700.72 18 10 6 1 3542.69 1301.74 8 -10 -6 -1 2222.99 873.975 4 10 6 1 759.526 887.813 24 10 6 1 2040.47 1018.14 13 10 6 1 1110.49 499.053 21 10 6 1 1235.57 561.677 20 -10 -6 -1 2799.42 954.503 19 -10 -6 -1 3927.93 1278.85 1 10 6 1 1731.18 778.303 18 10 6 2 78189.8 5189.95 8 -10 -6 -2 69175.4 4285.61 4 10 6 2 53036.4 4390.03 24 10 6 2 77887.7 4917.62 13 10 6 2 59587.4 4717.37 21 10 6 2 57683.9 4595.72 20 -10 -6 -2 76111.6 4712.99 1 -10 -6 -2 73353.9 5010.30 19 10 6 2 56742.9 4546.24 18 -10 -6 -3 5174.83 1258.62 1 10 6 3 5123.40 1462.47 8 10 6 3 1710.42 679.630 24 -10 -6 -3 2788.21 958.519 4 10 6 3 5035.19 1392.34 13 10 6 3 2111.00 949.986 21 10 6 3 2624.12 838.377 20 -10 -6 -3 5195.75 1400.44 19 10 6 3 2636.13 965.680 18 10 6 4 26990.4 3113.66 8 -10 -6 -4 25594.4 2538.92 4 10 6 4 21684.6 2791.71 24 10 6 4 27169.5 3035.15 13 10 6 4 22127.4 2946.32 21 10 6 4 22936.7 2885.03 20 -10 -6 -4 25257.8 2839.19 19 -10 -6 -4 24193.5 2652.74 1 10 6 4 20239.6 2680.93 18 10 6 5 24605.9 2945.68 8 -10 -6 -5 21200.7 2295.51 4 10 6 5 18641.1 2584.16 24 10 6 5 21014.0 2648.94 13 10 6 5 22498.2 2994.02 21 10 6 5 19719.6 2699.39 20 -10 -6 -5 21336.2 2594.77 19 -10 -6 -5 20100.4 2422.77 1 10 6 5 20559.5 2771.44 18 10 6 6 22975.4 2976.21 8 -10 -6 -6 19390.1 2193.14 4 10 6 6 15233.5 2399.18 24 10 6 6 20564.6 2700.28 13 10 6 6 19563.7 2817.92 21 10 6 6 17821.0 2645.68 20 -10 -6 -6 19460.7 2480.25 19 10 6 6 18355.2 2628.62 18 -10 -6 -6 20122.5 2451.08 1 10 6 7 2216.66 1353.74 8 10 6 7 214.089 733.221 24 10 6 7-32.3910 766.845 13 10 6 7 255.662 770.350 21 10 6 7-2033.40 1460.34 20 -10 -6 -7-200.385 577.470 19 -10 -6 -7 87.9944 510.335 1 10 6 7 151.374 518.524 18 -10 -6 -8 14393.9 2250.35 1 10 6 8 16953.6 2597.34 8 10 6 8 14899.4 2490.97 24 10 6 8 14583.1 2316.18 13 10 6 8 15128.3 2595.64 21 10 6 8 14097.4 2327.58 20 -10 -6 -8 14883.2 2210.27 19 10 6 8 16615.6 2594.08 18 -10 -6 -9 4378.81 1377.27 1 10 6 9 6499.65 1829.58 8 10 6 9 2508.98 1129.73 13 10 6 9 4576.29 1332.26 10 10 6 10 40311.1 3981.19 8 10 6 10 39642.1 3529.32 10 10 6 11 1915.73 1078.54 10 10 6 12 48426.1 4407.56 22 10 6 12 50567.1 4089.91 10 -10 -7 5 11497.5 1924.75 12 -10 -7 3 9414.58 1750.63 4 -10 -7 2 22999.8 2609.77 4 10 7 -2 20084.5 2459.30 13 -10 -7 2 21687.4 3111.11 19 10 7 -1 583.007 770.885 8 -10 -7 1 1565.18 1048.58 1 -10 -7 1 57.0590 463.986 4 10 7 -1 343.331 594.030 13 -10 -7 1 1226.07 1088.27 19 10 7 0 22508.8 2775.70 8 -10 -7 0 19339.3 2302.81 4 10 7 0 19208.8 2512.39 24 10 7 0 20037.6 2433.49 13 10 7 0 21568.5 2715.64 21 -10 -7 0 21877.6 2822.40 1 10 7 0 17451.5 2351.04 20 -10 -7 0 24936.4 3072.22 19 10 7 0 19521.8 2521.18 18 10 7 1 31626.7 3298.82 8 -10 -7 -1 27795.1 2716.69 4 10 7 1 25412.6 2956.02 24 10 7 1 28588.9 2957.73 13 10 7 1 31958.5 3307.73 21 -10 -7 -1 32401.8 3291.49 1 10 7 1 26529.7 2971.43 20 -10 -7 -1 28526.2 3157.02 19 10 7 1 30452.8 3207.24 18 10 7 2 10108.0 1993.84 8 -10 -7 -2 8318.93 1518.80 4 10 7 2 10640.8 1977.87 24 10 7 2 9118.02 1739.13 13 10 7 2 10765.4 2039.17 21 10 7 2 9046.95 1742.83 20 -10 -7 -2 10525.8 1925.92 1 -10 -7 -2 10749.9 1896.03 19 10 7 2 10043.4 1934.35 18 -10 -7 -3 13283.1 1785.06 4 10 7 3 13237.5 2146.01 8 10 7 3 14042.5 2205.55 24 10 7 3 14645.3 2163.65 13 10 7 3 15205.2 2408.18 21 -10 -7 -3 14026.3 2122.24 1 10 7 3 12599.2 2114.68 20 -10 -7 -3 14351.1 2124.53 19 10 7 3 16243.0 2419.34 18 10 7 4 34132.1 3408.68 8 -10 -7 -4 31862.0 2730.66 4 10 7 4 32442.5 3404.00 24 10 7 4 30938.2 3162.62 13 10 7 4 34505.8 3549.47 21 10 7 4 26943.9 3071.77 20 -10 -7 -4 27900.0 2910.97 1 -10 -7 -4 31988.4 3100.03 19 10 7 4 31493.0 3338.63 18 -10 -7 -5 2052.64 1036.58 1 10 7 5 3154.00 1269.76 8 10 7 5 2716.22 1268.41 24 10 7 5 2120.78 973.185 13 10 7 5 2040.12 1028.03 21 10 7 5 1662.11 850.462 20 -10 -7 -5 2319.64 940.603 19 10 7 5 4361.18 1465.46 18 10 7 6 28439.6 3077.66 8 10 7 6 28216.6 3221.18 24 10 7 6 25545.6 2916.74 13 10 7 6 23218.4 2907.89 21 10 7 6 27921.9 3177.84 20 -10 -7 -6 21887.5 2514.64 19 -10 -7 -6 23401.1 2675.59 1 10 7 6 29570.2 3274.60 18 10 7 7 4777.00 1386.67 8 10 7 7 7721.49 1828.39 24 -10 -7 -7 5719.34 1499.52 1 10 7 7 5798.46 1499.17 13 10 7 7 5088.10 1394.68 21 10 7 7 4463.60 1276.30 20 -10 -7 -7 5758.10 1372.93 19 10 7 7 6338.48 1643.77 18 10 7 8 45879.4 3989.25 8 10 7 8 45367.3 4060.06 24 10 7 8 41455.7 3804.37 13 10 7 8 40640.4 3938.81 21 10 7 8 43949.4 4008.59 20 -10 -7 -8 38066.0 3337.62 19 10 7 8 48036.5 4218.45 18 -10 -7 -8 42993.5 3718.90 1 10 7 9 2536.44 1229.51 8 -10 -7 -9 511.258 677.358 19 -10 -7 -10 33816.2 3274.40 19 10 7 12 9028.39 1690.41 10 -10 -8 3-1081.94 888.567 4 10 8 -3 2992.73 1221.84 13 -10 -8 2 4797.23 1258.10 1 -10 -8 2 7236.46 1468.25 4 10 8 -2 11351.7 1998.19 13 -10 -8 2 9405.61 2063.67 19 -10 -8 1 3291.28 1296.48 1 -10 -8 1 3150.46 1043.52 4 10 8 -1 3207.18 1117.23 13 -10 -8 1 4649.44 1465.52 19 -10 -8 0 34484.8 2989.23 4 10 8 0 36926.7 3387.59 13 -10 -8 0 36727.3 3720.34 1 -10 -8 0 34042.6 3490.65 19 -10 -8 -1 693.309 424.127 4 10 8 1 1812.90 913.214 24 -10 -8 -1 1877.48 1138.51 1 10 8 1 995.025 633.715 13 10 8 1 100.416 603.989 21 10 8 1 1235.25 811.249 20 -10 -8 -1 2192.70 1118.36 19 10 8 1 2143.54 836.484 18 10 8 2 34534.9 3269.07 24 10 8 2 31776.9 3171.27 13 10 8 2 33090.0 3207.58 21 -10 -8 -2 36129.5 3467.42 1 10 8 2 30613.3 3090.77 20 -10 -8 -2 34079.1 3258.12 19 10 8 2 33794.3 3219.92 18 10 8 3 1354.62 899.192 24 10 8 3-598.004 789.864 13 10 8 3-389.397 639.016 21 -10 -8 -3 1344.53 1033.82 1 10 8 3 1773.65 1036.74 20 -10 -8 -3 234.998 569.760 19 10 8 3 481.646 706.409 18 10 8 4 19599.8 2587.39 8 10 8 4 22365.7 2707.90 24 10 8 4 18086.4 2454.74 13 10 8 4 20826.1 2619.76 21 10 8 4 19701.8 2554.53 20 -10 -8 -4 21340.3 2609.75 1 -10 -8 -4 18665.9 2307.70 19 10 8 4 19362.7 2510.29 18 10 8 5 1474.51 772.831 8 10 8 5 3612.59 1201.43 24 10 8 5 1857.33 982.580 13 10 8 5 893.152 749.585 21 10 8 5 2511.83 1059.82 20 -10 -8 -5 1396.09 805.598 19 -10 -8 -5 1935.18 954.328 1 10 8 5 434.821 571.691 18 10 8 6 37592.1 3508.00 24 10 8 6 35710.3 3469.27 13 10 8 6 36328.2 3524.84 21 10 8 6 38961.8 3617.54 20 -10 -8 -6 35930.4 3321.46 1 -10 -8 -6 31631.7 2908.49 19 10 8 6 36967.1 3492.27 18 10 8 7 9201.43 1964.40 24 10 8 7 6966.55 1680.01 21 10 8 7 6361.03 1625.23 20 10 8 7 7904.86 1682.19 18 -10 -9 2 58024.6 4070.35 4 -10 -9 2 58840.4 4679.36 19 10 9 -1 9048.75 1961.50 13 -10 -9 1 5792.83 1436.20 19 10 9 0 14302.0 2438.71 13 -10 -9 0 12289.0 2037.48 19 -10 -9 -1 89.7075 614.150 19 10 9 2 5872.90 1309.61 24 10 9 2 8322.90 1583.74 21 10 9 2 8115.83 1557.63 20 10 9 2 6472.42 1400.76 18 10 9 3-600.194 661.598 24 10 9 3-180.040 557.764 21 10 9 3 1409.12 806.562 20 10 9 3 319.717 461.102 18 10 9 4 18328.2 2372.95 24 10 9 4 17016.5 2316.10 21 10 9 4 18201.1 2368.45 20 10 9 4 18691.8 2410.07 18 10 9 5 5066.87 1269.54 24 10 9 5 6056.22 1456.20 21 10 9 5 7113.76 1522.38 20 10 9 5 5412.71 1395.74 18 10 10 3 2406.17 876.654 24 10 10 3 3353.28 1100.48 21 10 10 3 2610.26 1040.23 20 10 10 3 2595.32 1054.91 18 11 3 5 2121.24 967.965 10 -11 -4 -5 3154.89 1140.32 1 -11 -4 -6-50.3080 560.612 1 11 5 -1 11325.9 2048.32 21 11 5 -1 12657.5 2127.34 18 -11 -5 -4 8396.24 1645.73 1 -11 -5 -5 5189.87 1273.03 4 -11 -5 -5 6323.03 1475.77 1 -11 -5 -6-742.467 768.166 4 -11 -5 -7 29280.7 3075.23 4 11 6 0 657.669 666.728 16 11 6 0-514.321 1055.82 24 11 6 0 786.323 764.603 21 11 6 0-139.340 736.355 20 11 6 0 1290.42 778.320 18 11 6 1 20602.0 2793.10 24 11 6 1 19911.2 2820.09 21 11 6 1 20920.2 2855.34 18 11 6 2 960.281 729.995 13 -11 -6 -3 35026.1 3218.10 4 11 6 3 33686.8 3457.27 13 -11 -6 -3 34280.5 3213.78 1 -11 -6 -4 375.049 582.799 1 -11 -6 -4 465.599 599.499 4 11 6 4-94.4225 719.543 13 -11 -6 -5 9569.32 1693.77 4 11 7 1 43703.3 4062.95 24 11 7 1 47700.9 3949.06 13 11 7 1 46606.8 4270.73 21 -11 -7 -1 51179.8 4115.94 1 11 7 1 41371.9 3903.86 20 11 7 1 47480.5 4173.76 18 -11 -7 -2 2257.79 980.887 4 11 7 2 1671.62 930.258 13 -11 -7 -2 2749.90 1300.08 1 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 90782 _shelx_res_file ; TITL Marcel in P-1 shelx.res created by SHELXL-2019/3 at 10:04:40 on 01-Feb-2024 CELL 0.71073 7.815477 9.150530 15.522136 85.9647 80.2937 66.0488 ZERR 2.00 0.0003 0.0003 0.0005 0.002 0.003 0.003 LATT 1 SFAC C H P SE BR AU UNIT 20 46 2 2 10 2 FMAP 2 PLAN 10 TEMP -173 SIZE 0.3 0.2 0.03 OMIT -3 -3 6 ACTA 60 CONF 2.3 L.S. 6 BOND $H BIND BR1 BR2 HTAB C13 SE1 HTAB C2 BR1 HTAB C32 BR1 HTAB C21 BR3 HTAB C11 BR5 EQIV $1 -x,1-y,1-z HTAB C2 BR2_$1 EQIV $2 1-x,1-y,1-z HTAB C22 BR3_$2 EQIV $3 1-x,-y,1-z HTAB C12 BR3_$3 HTAB C13 BR3_$3 EQIV $4 1+x,-1+y,z HTAB C12 BR4_$4 EQIV $5 x,-1+y,z HTAB C13 BR4_$5 EQIV $6 -x,-y,1-z RTAB CONT SE1 BR2_$6 RTAB CONT SE1 BR3_$3 EQIV $7 2-x,1-y,-z RTAB CONT BR5 BR5_$7 RTAB CONT BR1 AU1 WGHT 0.029500 3.050600 FVAR 2.55825 P1 3 0.503957 0.104855 0.247023 11.00000 0.01206 0.01265 = 0.01209 0.00028 -0.00166 -0.00486 SE1 4 0.377068 -0.065095 0.308718 11.00000 0.01440 0.01364 = 0.02165 0.00209 0.00047 -0.00536 BR1 5 0.140959 0.104001 0.411928 11.00000 0.01548 0.02158 = 0.01890 0.00010 0.00178 -0.00821 C1 1 0.742001 -0.030010 0.190947 11.00000 0.01261 0.01553 = 0.01461 0.00043 -0.00065 -0.00264 C2 1 0.506403 0.234857 0.330674 11.00000 0.01922 0.02310 = 0.01896 -0.00322 -0.00085 -0.00962 AFIX 13 H2 2 0.370536 0.303427 0.351902 11.00000 -1.20000 AFIX 0 C3 1 0.356373 0.234852 0.168449 11.00000 0.01828 0.01428 = 0.01662 0.00244 -0.00523 -0.00309 AFIX 13 H3 2 0.430348 0.292376 0.134040 11.00000 -1.20000 AFIX 0 C11 1 0.806198 0.057095 0.112273 11.00000 0.02056 0.02346 = 0.02015 0.00312 0.00310 -0.00725 AFIX 137 H11A 2 0.803491 0.157676 0.131775 11.00000 -1.50000 H11B 2 0.720630 0.079831 0.069005 11.00000 -1.50000 H11C 2 0.935429 -0.010648 0.085845 11.00000 -1.50000 AFIX 0 C12 1 0.884552 -0.077265 0.255940 11.00000 0.01268 0.02479 = 0.02384 0.00009 -0.00394 -0.00480 AFIX 137 H12A 2 1.006172 -0.157871 0.229224 11.00000 -1.50000 H12B 2 0.835837 -0.121394 0.309079 11.00000 -1.50000 H12C 2 0.902346 0.017404 0.270870 11.00000 -1.50000 AFIX 0 C13 1 0.735356 -0.183766 0.160377 11.00000 0.01928 0.01807 = 0.02197 -0.00467 0.00134 -0.00235 AFIX 137 H13A 2 0.634662 -0.155692 0.124430 11.00000 -1.50000 H13B 2 0.709770 -0.245346 0.211417 11.00000 -1.50000 H13C 2 0.857404 -0.248159 0.125820 11.00000 -1.50000 AFIX 0 C21 1 0.591086 0.150796 0.412228 11.00000 0.02367 0.04718 = 0.01368 -0.00427 -0.00467 -0.01605 AFIX 137 H21A 2 0.729668 0.104162 0.398448 11.00000 -1.50000 H21B 2 0.546541 0.065956 0.430672 11.00000 -1.50000 H21C 2 0.551020 0.228693 0.459541 11.00000 -1.50000 AFIX 0 C22 1 0.596030 0.349890 0.289615 11.00000 0.02704 0.02882 = 0.03127 -0.00762 -0.00295 -0.01577 AFIX 137 H22A 2 0.584526 0.425951 0.333887 11.00000 -1.50000 H22B 2 0.530519 0.408286 0.241327 11.00000 -1.50000 H22C 2 0.730240 0.288839 0.267432 11.00000 -1.50000 AFIX 0 C31 1 0.315480 0.139724 0.103049 11.00000 0.03179 0.01934 = 0.02245 -0.00217 -0.01429 -0.00274 AFIX 137 H31A 2 0.241760 0.082244 0.134354 11.00000 -1.50000 H31B 2 0.435336 0.062881 0.072387 11.00000 -1.50000 H31C 2 0.243202 0.213235 0.060597 11.00000 -1.50000 AFIX 0 C32 1 0.170911 0.362756 0.213308 11.00000 0.01822 0.01931 = 0.02376 0.00302 -0.00388 -0.00128 AFIX 137 H32A 2 0.100581 0.431734 0.168905 11.00000 -1.50000 H32B 2 0.199553 0.427409 0.251845 11.00000 -1.50000 H32C 2 0.094104 0.310846 0.247835 11.00000 -1.50000 AFIX 0 AU1 6 0.000000 0.500000 0.500000 10.50000 0.01577 0.01210 = 0.01502 -0.00049 -0.00218 -0.00555 BR2 5 -0.173417 0.345286 0.571332 11.00000 0.02420 0.02110 = 0.02689 0.00323 -0.00151 -0.01315 BR3 5 0.224089 0.397115 0.601842 11.00000 0.02590 0.02882 = 0.02403 0.00647 -0.01168 -0.01270 AU2 6 0.500000 0.500000 0.000000 10.50000 0.00891 0.01081 = 0.01807 0.00113 -0.00046 -0.00374 BR4 5 0.349370 0.699674 0.113700 11.00000 0.01693 0.02185 = 0.02825 -0.00920 0.00196 -0.00550 BR5 5 0.807871 0.457895 0.033784 11.00000 0.01169 0.01865 = 0.03005 0.00129 -0.00504 -0.00635 HKLF 4 REM Marcel in P-1 REM wR2 = 0.0629, GooF = S = 1.036, Restrained GooF = 1.036 for all data REM R1 = 0.0245 for 5198 Fo > 4sig(Fo) and 0.0312 for all 5847 data REM 173 parameters refined using 0 restraints END WGHT 0.0295 3.0506 REM Highest difference peak 1.709, deepest hole -1.437, 1-sigma level 0.206 Q1 1 -0.1252 0.5160 0.4883 11.00000 0.05 1.71 Q2 1 0.6413 0.4797 0.0124 11.00000 0.05 1.62 Q3 1 0.7395 0.3967 0.0444 11.00000 0.05 1.28 Q4 1 0.4803 0.4004 0.0034 11.00000 0.05 1.26 Q5 1 0.1246 0.4238 0.4652 11.00000 0.05 1.17 Q6 1 0.0208 0.6191 0.4897 11.00000 0.05 1.13 Q7 1 0.7578 0.4374 -0.0231 11.00000 0.05 1.12 Q8 1 0.5445 0.5250 0.0583 11.00000 0.05 1.02 Q9 1 -0.2611 0.3434 0.5591 11.00000 0.05 1.01 Q10 1 0.2289 0.5047 0.5405 11.00000 0.05 1.01 ; _shelx_res_checksum 12678 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 P P1 0.50396(13) 0.10486(11) 0.24702(6) 0.01234(17) Uani d 1 . . Se Se1 0.37707(5) -0.06510(4) 0.30872(3) 0.01717(8) Uani d 1 . . Br Br1 0.14096(5) 0.10400(5) 0.41193(3) 0.01896(8) Uani d 1 . . C C1 0.7420(5) -0.0300(4) 0.1909(2) 0.0154(7) Uani d 1 . . C C2 0.5064(6) 0.2349(5) 0.3307(3) 0.0202(8) Uani d 1 . . H H2 0.370536 0.303427 0.351902 0.024 Uiso calc 1 . . C C3 0.3564(6) 0.2349(4) 0.1684(3) 0.0173(7) Uani d 1 . . H H3 0.430348 0.292376 0.134040 0.021 Uiso calc 1 . . C C11 0.8062(6) 0.0571(5) 0.1123(3) 0.0229(9) Uani d 1 . . H H11A 0.803491 0.157676 0.131775 0.034 Uiso calc 1 . . H H11B 0.720630 0.079831 0.069005 0.034 Uiso calc 1 . . H H11C 0.935429 -0.010648 0.085845 0.034 Uiso calc 1 . . C C12 0.8846(6) -0.0773(5) 0.2559(3) 0.0212(8) Uani d 1 . . H H12A 1.006172 -0.157871 0.229224 0.032 Uiso calc 1 . . H H12B 0.835837 -0.121394 0.309079 0.032 Uiso calc 1 . . H H12C 0.902346 0.017404 0.270870 0.032 Uiso calc 1 . . C C13 0.7354(6) -0.1838(5) 0.1604(3) 0.0218(8) Uani d 1 . . H H13A 0.634662 -0.155692 0.124430 0.033 Uiso calc 1 . . H H13B 0.709770 -0.245346 0.211417 0.033 Uiso calc 1 . . H H13C 0.857404 -0.248159 0.125820 0.033 Uiso calc 1 . . C C21 0.5911(6) 0.1508(6) 0.4122(3) 0.0271(10) Uani d 1 . . H H21A 0.729668 0.104162 0.398448 0.041 Uiso calc 1 . . H H21B 0.546541 0.065956 0.430672 0.041 Uiso calc 1 . . H H21C 0.551020 0.228693 0.459541 0.041 Uiso calc 1 . . C C22 0.5960(7) 0.3499(6) 0.2896(3) 0.0273(9) Uani d 1 . . H H22A 0.584526 0.425951 0.333887 0.041 Uiso calc 1 . . H H22B 0.530519 0.408286 0.241327 0.041 Uiso calc 1 . . H H22C 0.730240 0.288839 0.267432 0.041 Uiso calc 1 . . C C31 0.3155(7) 0.1397(5) 0.1030(3) 0.0256(9) Uani d 1 . . H H31A 0.241760 0.082244 0.134354 0.038 Uiso calc 1 . . H H31B 0.435336 0.062881 0.072387 0.038 Uiso calc 1 . . H H31C 0.243202 0.213235 0.060597 0.038 Uiso calc 1 . . C C32 0.1709(6) 0.3628(5) 0.2133(3) 0.0226(9) Uani d 1 . . H H32A 0.100581 0.431734 0.168905 0.034 Uiso calc 1 . . H H32B 0.199553 0.427409 0.251845 0.034 Uiso calc 1 . . H H32C 0.094104 0.310846 0.247835 0.034 Uiso calc 1 . . Au Au1 0.000000 0.500000 0.500000 0.01431(5) Uani d 1 . . Br Br2 -0.17342(6) 0.34529(5) 0.57133(3) 0.02321(9) Uani d 1 . . Br Br3 0.22409(6) 0.39711(5) 0.60184(3) 0.02503(9) Uani d 1 . . Au Au2 0.500000 0.500000 0.000000 0.01293(5) Uani d 1 . . Br Br4 0.34937(6) 0.69967(5) 0.11370(3) 0.02330(9) Uani d 1 . . Br Br5 0.80787(5) 0.45789(5) 0.03378(3) 0.01988(8) Uani d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 P1 0.0121(4) 0.0126(4) 0.0121(4) -0.0049(3) -0.0017(3) 0.0003(3) Se1 0.01440(17) 0.01364(17) 0.02165(19) -0.00536(14) 0.00047(14) 0.00209(14) Br1 0.01548(17) 0.02158(18) 0.01890(18) -0.00821(14) 0.00178(14) 0.00010(14) C1 0.0126(16) 0.0155(17) 0.0146(17) -0.0026(14) -0.0007(13) 0.0004(13) C2 0.0192(19) 0.0231(19) 0.0190(19) -0.0096(16) -0.0008(15) -0.0032(15) C3 0.0183(18) 0.0143(17) 0.0166(18) -0.0031(14) -0.0052(14) 0.0024(14) C11 0.021(2) 0.023(2) 0.020(2) -0.0072(16) 0.0031(16) 0.0031(16) C12 0.0127(17) 0.025(2) 0.024(2) -0.0048(15) -0.0039(15) 0.0001(16) C13 0.0193(19) 0.0181(18) 0.022(2) -0.0024(15) 0.0013(16) -0.0047(15) C21 0.024(2) 0.047(3) 0.0137(19) -0.016(2) -0.0047(16) -0.0043(18) C22 0.027(2) 0.029(2) 0.031(2) -0.0158(19) -0.0029(19) -0.0076(19) C31 0.032(2) 0.0193(19) 0.022(2) -0.0027(17) -0.0143(18) -0.0022(16) C32 0.0182(19) 0.0193(19) 0.024(2) -0.0013(15) -0.0039(16) 0.0030(16) Au1 0.01577(10) 0.01210(9) 0.01502(10) -0.00555(7) -0.00218(7) -0.00049(7) Br2 0.0242(2) 0.02110(19) 0.0269(2) -0.01315(16) -0.00151(16) 0.00323(16) Br3 0.0259(2) 0.0288(2) 0.0240(2) -0.01270(17) -0.01168(17) 0.00647(16) Au2 0.00891(9) 0.01081(9) 0.01807(10) -0.00374(7) -0.00046(7) 0.00113(7) Br4 0.01693(18) 0.02185(19) 0.0283(2) -0.00550(15) 0.00196(16) -0.00920(16) Br5 0.01169(16) 0.01865(18) 0.0301(2) -0.00635(14) -0.00504(15) 0.00129(15) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 '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 P1 C3 . . 107.07(19) ? C2 P1 C1 . . 115.23(19) ? C3 P1 C1 . . 111.45(17) ? C2 P1 Se1 . . 109.82(14) ? C3 P1 Se1 . . 109.70(14) ? C1 P1 Se1 . . 103.51(13) ? P1 Se1 Br1 . . 99.52(3) y Se1 Br1 Br2 . . 175.31(2) ? C11 C1 C13 . . 109.9(3) ? C11 C1 C12 . . 109.6(3) ? C13 C1 C12 . . 108.2(3) ? C11 C1 P1 . . 109.6(3) ? C13 C1 P1 . . 110.4(3) ? C12 C1 P1 . . 109.0(3) ? C22 C2 C21 . . 111.9(4) ? C22 C2 P1 . . 110.4(3) ? C21 C2 P1 . . 116.2(3) ? C22 C2 H2 . . 105.8 ? C21 C2 H2 . . 105.8 ? P1 C2 H2 . . 105.8 ? C31 C3 C32 . . 110.4(4) ? C31 C3 P1 . . 112.4(3) ? C32 C3 P1 . . 112.6(3) ? C31 C3 H3 . . 107.0 ? C32 C3 H3 . . 107.0 ? P1 C3 H3 . . 107.0 ? C1 C11 H11A . . 109.5 ? C1 C11 H11B . . 109.5 ? H11A C11 H11B . . 109.5 ? C1 C11 H11C . . 109.5 ? H11A C11 H11C . . 109.5 ? H11B C11 H11C . . 109.5 ? C1 C12 H12A . . 109.5 ? C1 C12 H12B . . 109.5 ? H12A C12 H12B . . 109.5 ? C1 C12 H12C . . 109.5 ? H12A C12 H12C . . 109.5 ? H12B C12 H12C . . 109.5 ? C1 C13 H13A . . 109.5 ? C1 C13 H13B . . 109.5 ? H13A C13 H13B . . 109.5 ? C1 C13 H13C . . 109.5 ? H13A C13 H13C . . 109.5 ? H13B C13 H13C . . 109.5 ? C2 C21 H21A . . 109.5 ? C2 C21 H21B . . 109.5 ? H21A C21 H21B . . 109.5 ? C2 C21 H21C . . 109.5 ? H21A C21 H21C . . 109.5 ? H21B C21 H21C . . 109.5 ? C2 C22 H22A . . 109.5 ? C2 C22 H22B . . 109.5 ? H22A C22 H22B . . 109.5 ? C2 C22 H22C . . 109.5 ? H22A C22 H22C . . 109.5 ? H22B C22 H22C . . 109.5 ? C3 C31 H31A . . 109.5 ? C3 C31 H31B . . 109.5 ? H31A C31 H31B . . 109.5 ? C3 C31 H31C . . 109.5 ? H31A C31 H31C . . 109.5 ? H31B C31 H31C . . 109.5 ? C3 C32 H32A . . 109.5 ? C3 C32 H32B . . 109.5 ? H32A C32 H32B . . 109.5 ? C3 C32 H32C . . 109.5 ? H32A C32 H32C . . 109.5 ? H32B C32 H32C . . 109.5 ? Br3 Au1 Br3 . 2_566 180.0 ? Br3 Au1 Br2 . . 90.432(15) ? Br3 Au1 Br2 2_566 . 89.568(15) ? Br3 Au1 Br2 . 2_566 89.568(15) ? Br3 Au1 Br2 2_566 2_566 90.432(15) ? Br2 Au1 Br2 . 2_566 180.000(13) ? Au1 Br2 Br1 . . 75.542(13) ? Br4 Au2 Br4 . 2_665 179.999(15) ? Br4 Au2 Br5 . 2_665 89.894(14) ? Br4 Au2 Br5 2_665 2_665 90.105(14) ? Br4 Au2 Br5 . . 90.106(14) ? Br4 Au2 Br5 2_665 . 89.895(14) ? Br5 Au2 Br5 2_665 . 180.0 ? 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 P1 C2 . 1.829(4) ? P1 C3 . 1.841(4) ? P1 C1 . 1.866(4) ? P1 Se1 . 2.2453(10) y Se1 Br1 . 2.3237(5) y Br1 Br2 . 3.3687(6) ? C1 C11 . 1.536(6) ? C1 C13 . 1.539(6) ? C1 C12 . 1.540(6) ? C2 C22 . 1.536(6) ? C2 C21 . 1.538(6) ? C2 H2 . 1.0000 ? C3 C31 . 1.533(6) ? C3 C32 . 1.534(5) ? C3 H3 . 1.0000 ? C11 H11A . 0.9800 ? C11 H11B . 0.9800 ? C11 H11C . 0.9800 ? C12 H12A . 0.9800 ? C12 H12B . 0.9800 ? C12 H12C . 0.9800 ? C13 H13A . 0.9800 ? C13 H13B . 0.9800 ? C13 H13C . 0.9800 ? C21 H21A . 0.9800 ? C21 H21B . 0.9800 ? C21 H21C . 0.9800 ? C22 H22A . 0.9800 ? C22 H22B . 0.9800 ? C22 H22C . 0.9800 ? C31 H31A . 0.9800 ? C31 H31B . 0.9800 ? C31 H31C . 0.9800 ? C32 H32A . 0.9800 ? C32 H32B . 0.9800 ? C32 H32C . 0.9800 ? Au1 Br3 . 2.4162(4) y Au1 Br3 2_566 2.4162(4) ? Au1 Br2 . 2.4287(4) y Au1 Br2 2_566 2.4287(4) ? Au2 Br4 . 2.4178(4) y Au2 Br4 2_665 2.4179(4) ? Au2 Br5 2_665 2.4202(4) ? Au2 Br5 . 2.4202(4) y loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag C13 H13B Se1 . 0.98 2.70 3.167(4) 109.4 yes C2 H2 Br1 . 1.00 3.05 3.540(4) 111.8 yes C3 H3 Au2 . 1.00 2.85 3.783(4) 155.1 yes C32 H32C Br1 . 0.98 3.05 3.788(4) 133.5 yes C21 H21C Br3 . 0.98 3.03 3.848(4) 142.2 yes C11 H11A Br5 . 0.98 3.05 3.787(4) 132.5 yes C2 H2 Br2 2_566 1.00 3.17 3.901(4) 131.4 yes C22 H22A Br3 2_666 0.98 2.92 3.764(4) 144.3 yes C12 H12B Br3 2_656 0.98 2.96 3.826(4) 148.3 yes C13 H13B Br3 2_656 0.98 3.15 4.051(4) 152.8 yes C12 H12A Br4 1_645 0.98 2.82 3.761(4) 160.2 yes C13 H13A Br4 1_545 0.98 3.05 3.771(5) 131.5 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag C2 P1 Se1 Br1 . . . . 37.67(15) ? C3 P1 Se1 Br1 . . . . -79.74(13) ? C1 P1 Se1 Br1 . . . . 161.21(13) y C2 P1 C1 C11 . . . . -87.6(3) ? C3 P1 C1 C11 . . . . 34.6(3) ? Se1 P1 C1 C11 . . . . 152.5(3) ? C2 P1 C1 C13 . . . . 151.1(3) ? C3 P1 C1 C13 . . . . -86.7(3) ? Se1 P1 C1 C13 . . . . 31.2(3) ? C2 P1 C1 C12 . . . . 32.4(3) ? C3 P1 C1 C12 . . . . 154.7(3) ? Se1 P1 C1 C12 . . . . -87.5(3) ? C3 P1 C2 C22 . . . . -61.9(3) ? C1 P1 C2 C22 . . . . 62.6(3) ? Se1 P1 C2 C22 . . . . 179.0(3) ? C3 P1 C2 C21 . . . . 169.3(3) ? C1 P1 C2 C21 . . . . -66.1(4) ? Se1 P1 C2 C21 . . . . 50.2(3) ? C2 P1 C3 C31 . . . . -170.6(3) ? C1 P1 C3 C31 . . . . 62.5(4) ? Se1 P1 C3 C31 . . . . -51.5(3) ? C2 P1 C3 C32 . . . . -45.2(4) ? C1 P1 C3 C32 . . . . -172.0(3) ? Se1 P1 C3 C32 . . . . 74.0(3) ?