#------------------------------------------------------------------------------ #$Date: 2018-01-13 08:35:14 +0200 (Sat, 13 Jan 2018) $ #$Revision: 205187 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/86/1548679.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_1548679 loop_ _publ_author_name 'El-Hiti, Gamal A.' 'Smith, Keith' 'Hegazy, Amany S.' 'Alshammari, Mohammed B.' 'Kariuki, Benson M.' _publ_section_title ; 1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea ; _journal_issue 1 _journal_name_full IUCrData _journal_page_first x180045 _journal_paper_doi 10.1107/S2414314618000457 _journal_volume 3 _journal_year 2018 _chemical_formula_iupac 'C10 H13 Br N2 S' _chemical_formula_moiety 'C10 H13 Br N2 S' _chemical_formula_sum 'C10 H13 Br N2 S' _chemical_formula_weight 273.19 _chemical_name_systematic ; 1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea ; _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' _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 112.380(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.2617(7) _cell_length_b 8.0222(4) _cell_length_c 12.7397(7) _cell_measurement_reflns_used 3751 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 73.5610 _cell_measurement_theta_min 4.2150 _cell_volume 1158.76(12) _computing_cell_refinement ; CrysAlis PRO (Agilent, 2014) ; _computing_data_collection ; CrysAlis PRO (Agilent, 2014) ; _computing_data_reduction ; CrysAlis PRO (Agilent, 2014) ; _computing_molecular_graphics ; ORTEP-3 for Windows (Farrugia, 2012) ; _computing_publication_material ; WinGX (Farrugia, 2012) and CHEMDRAW Ultra (Cambridge Soft, 2001) ; _computing_structure_refinement ; SHELXL2013 (Sheldrick, 2015) ; _computing_structure_solution ; SHELXS2013 (Sheldrick, 2008) ; _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measurement_device_type 'Agilent SuperNova, Dual, Cu at zero, Atlas' _diffrn_measurement_method '\w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0302 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 7605 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 74.143 _diffrn_reflns_theta_min 4.260 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 6.222 _exptl_absorpt_correction_T_max 0.976 _exptl_absorpt_correction_T_min 0.926 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; (CrysAlis PRO; Agilent, 2014) ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.566 _exptl_crystal_description block _exptl_crystal_F_000 552 _exptl_crystal_size_max 0.216 _exptl_crystal_size_mid 0.123 _exptl_crystal_size_min 0.049 _refine_diff_density_max 0.543 _refine_diff_density_min -0.640 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 130 _refine_ls_number_reflns 2318 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.057 _refine_ls_R_factor_all 0.0435 _refine_ls_R_factor_gt 0.0377 _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^)+(0.0720P)^2^+0.3056P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1082 _refine_ls_wR_factor_ref 0.1153 _reflns_number_gt 2035 _reflns_number_total 2318 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file sj4152sup1.cif _cod_data_source_block I _cod_database_code 1548679 _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 0.347 _shelx_estimated_absorpt_t_max 0.750 _shelx_hkl_file ; 0 0 1-16.8565 20.0857 20 0 0 2 4098.64 2375.55 20 0 0 3-27.2566 54.9039 1 0 0 3 43.4476 67.1639 20 0 0 4 166898. 2124.00 1 0 0 5-14.8825 83.2873 1 0 0 5-6.26580 70.3243 2 0 0 6 47634.2 1536.42 2 0 0 6 41922.0 1331.45 1 0 0 7 182.204 106.188 1 0 0 7-24.0690 123.187 2 0 0 8 319.196 143.413 1 0 0 8-0.95192 69.3351 2 0 0 9 67.2367 38.3181 10 0 0 9 63.6218 100.587 2 0 0 10 9605.20 398.932 11 0 0 10 9878.39 426.748 10 0 0 11-20.4840 50.8682 10 0 0 11-12.3150 40.6168 11 0 0 12-6.36844 50.0369 10 0 0 13-18.7714 46.3144 10 0 0 14 399.312 70.6886 10 0 1 0 330.025 40.2532 1 0 -1 0 223.528 47.2647 20 0 -1 1 2769.35 181.314 20 0 1 2 431.285 85.0951 2 0 -1 2 463.088 96.5965 20 0 -1 2 401.324 60.3087 1 0 -1 3 894.198 122.117 1 0 1 3 956.315 157.028 2 0 -1 3 1186.08 185.627 20 0 -1 4 389.415 99.7313 1 0 1 4 318.706 118.535 1 0 -1 4 654.067 170.901 20 0 1 4 341.181 121.638 2 0 1 5 3867.34 391.171 1 0 -1 5 3974.83 338.339 1 0 1 5 3807.58 391.525 2 0 -1 5 4333.27 406.342 20 0 -1 6 15057.1 817.352 20 0 -1 6 16487.4 775.418 1 0 1 6 16681.7 889.803 1 0 1 6 16752.5 906.340 2 0 1 7 1540.18 300.275 2 0 1 7 1577.73 291.588 1 0 1 8 55575.0 1903.89 1 0 -1 8 59763.4 2088.70 2 0 -1 9 10118.5 410.189 10 0 1 9 10016.2 869.828 1 0 1 9 10534.4 430.553 10 0 -1 9 9929.16 921.649 2 0 -1 10 93943.2 2853.16 2 0 -1 10 89859.4 1276.94 10 0 1 10 91806.1 1273.61 11 0 1 10 90874.7 1306.46 10 0 1 11 4641.91 301.714 10 0 -1 11 4696.19 301.306 10 0 1 11 4433.14 280.952 11 0 1 12 21074.8 571.428 11 0 1 12 22618.9 627.178 10 0 -1 12 22854.1 623.940 10 0 1 13 1645.22 157.502 10 0 -1 13 1728.81 156.829 10 0 1 13 1691.42 146.011 11 0 1 14 8748.23 294.743 10 0 -1 14 8299.45 282.960 10 0 -2 0 76837.3 1175.89 20 0 2 0 74260.2 819.415 1 0 -2 1 511141. 3163.62 20 0 2 1 509797. 2805.97 19 0 2 2 991313. 4564.47 19 0 -2 2 999999. 4775.26 20 0 2 3 23.2229 71.9807 1 0 2 3 195.329 102.033 19 0 -2 3 147.053 113.079 20 0 -2 4 24653.8 1005.57 20 0 2 4 26652.7 913.039 2 0 2 4 24028.4 978.732 19 0 2 4 27514.7 1013.29 1 0 2 5 987.868 238.474 1 0 2 5 1047.96 225.908 2 0 -2 5 869.195 228.100 20 0 2 6 8228.36 653.882 2 0 -2 6 7005.19 631.135 20 0 2 6 8085.23 661.971 1 0 -2 7 2480.67 385.491 20 0 2 7 3374.01 451.729 2 0 2 7 3253.33 451.625 1 0 2 8 9192.67 814.774 1 0 -2 8 7941.05 354.303 10 0 -2 8 8098.99 734.339 20 0 2 8 9052.83 392.723 10 0 -2 9 288.281 186.994 2 0 2 9 61.4564 51.4189 11 0 -2 9-20.2834 65.9895 10 0 2 9 152.092 131.976 1 0 2 9 66.9352 55.9819 10 0 2 10 464.069 94.3070 11 0 2 10 513.350 109.735 10 0 2 10 466.915 91.4856 5 0 -2 10 507.093 108.491 8 0 -2 10 307.106 83.4990 10 0 2 11 2805.77 228.099 11 0 2 11 2851.77 237.375 10 0 -2 11 2694.83 229.692 8 0 -2 11 2658.70 223.926 10 0 2 12 1411.03 151.649 11 0 -2 12 1478.10 159.749 10 0 2 12 1284.50 152.873 10 0 2 13-7.10340 39.2637 10 0 -2 13 23.0039 36.7353 10 0 2 13 69.2180 43.4228 11 0 -2 14 1361.28 103.128 10 0 2 14 1468.59 114.802 10 0 3 0 136.993 70.2753 19 0 3 0 200.847 50.2648 1 0 -3 0 131.636 90.7200 20 0 -3 -1 20490.5 772.601 20 0 3 -1 20264.6 616.297 19 0 3 1 20177.4 680.087 19 0 3 1 18955.6 632.548 1 0 3 2 7573.06 461.882 19 0 -3 2 7636.15 513.561 20 0 3 2 7139.92 459.246 1 0 -3 3 3269.23 372.133 20 0 3 3 2910.95 332.413 1 0 3 3 2847.68 328.561 19 0 3 4 2254.09 331.417 19 0 3 4 3013.26 367.873 1 0 -3 4 2368.03 356.192 20 0 3 5 16123.5 911.804 1 0 -3 5 17234.0 1029.41 20 0 -3 6 11099.0 865.720 20 0 3 6 11724.9 845.156 1 0 3 7 28565.1 686.335 11 0 -3 7 26692.6 1415.23 20 0 3 7 27251.5 1377.34 1 0 -3 7 27543.3 767.568 13 0 3 8 51974.1 998.761 10 0 3 8 52238.9 2025.91 1 0 3 8 51270.0 970.779 11 0 -3 8 51326.1 1027.22 14 0 -3 8 50188.6 1990.53 20 0 3 9 5455.70 325.897 11 0 3 9 5329.85 333.516 10 0 -3 9 5846.16 323.586 10 0 -3 10 19078.2 583.587 10 0 3 10 19011.1 564.352 5 0 3 10 19188.4 625.821 10 0 -3 10 18406.1 648.468 8 0 3 10 18304.5 597.222 11 0 -3 11 437.696 97.0911 10 0 3 11 414.829 84.1087 5 0 -3 11 564.481 113.707 8 0 3 11 460.768 100.399 11 0 3 11 518.878 110.083 10 0 -3 12 33377.5 719.925 8 0 -3 12 32783.3 670.467 10 0 3 12 33253.7 723.073 10 0 3 12 33469.8 711.994 11 0 -3 13 415.492 70.1097 10 0 3 13 295.004 69.8826 10 0 4 0 76733.5 1506.83 19 0 -4 0 81935.6 1874.43 20 0 4 -1 18726.9 719.882 19 0 -4 1 18621.6 910.164 20 0 4 1 17390.7 630.024 1 0 4 1 17841.6 758.528 19 0 -4 -1 19813.1 923.599 20 0 4 2 119709. 2148.93 19 0 -4 -2 127102. 2374.56 20 0 -4 2 120327. 2367.21 20 0 4 -2 123420. 1875.82 19 0 4 2 114242. 1952.10 1 0 4 3 91405.7 1988.37 1 0 4 3 98792.2 2156.87 19 0 -4 -3 95272.8 2093.03 20 0 -4 3 101709. 2338.87 20 0 -4 -4 72443.7 1872.94 20 0 4 4 71349.9 2054.88 19 0 -4 4 72316.9 2151.69 20 0 4 4 73806.5 1945.81 1 0 4 5 1144.92 267.247 1 0 4 5 890.608 249.715 19 0 -4 5 1132.94 310.748 20 0 -4 6 1996.91 216.341 14 0 4 6 2525.27 422.566 1 0 -4 6 1741.86 385.887 20 0 4 6 2263.71 198.502 11 0 4 6 1730.04 182.344 18 0 -4 6 2516.42 240.815 13 0 -4 7 2423.58 246.742 14 0 4 7 2494.75 218.360 11 0 4 7 2256.72 213.730 10 0 -4 7 2488.80 243.737 15 0 -4 7 2898.63 267.640 13 0 -4 7 2095.95 443.627 20 0 4 -7 2947.16 251.884 16 0 4 7 2709.12 464.622 1 0 4 7 3188.02 252.843 18 0 -4 8 725.723 273.797 20 0 4 8 856.752 141.074 11 0 4 8 844.920 272.129 1 0 -4 8 775.551 143.555 14 0 4 8 705.517 131.402 10 0 4 9 4078.19 293.067 11 0 -4 9 3881.58 304.842 14 0 -4 9 4187.62 272.722 10 0 4 9 4259.23 305.239 10 0 -4 10 33.0254 67.1105 8 0 4 10-7.36902 74.1452 10 0 4 10-19.6890 52.4128 11 0 4 10-40.4920 67.0376 5 0 -4 10 9.14932 40.2028 10 0 4 11 203.718 79.8086 11 0 4 11 95.0928 48.4838 5 0 4 11 113.193 54.3865 10 0 -4 11 128.074 48.8799 10 0 -4 11 155.710 76.0155 8 0 4 12 1156.21 128.693 10 0 -4 12 1103.29 108.171 10 0 4 12 1163.69 110.579 5 0 -4 12 1152.43 131.847 8 0 4 13 188.356 44.3802 10 0 -5 0 42.3794 143.264 20 0 5 0 102.935 73.9991 19 0 -5 -1 3494.06 466.005 20 0 -5 1 3663.65 485.253 20 0 5 1 3285.88 385.829 19 0 5 -1 3631.80 376.874 19 0 -5 2 205.807 139.291 20 0 5 2 67.2332 77.6414 19 0 -5 -3 22378.1 1204.02 20 0 -5 3 23063.3 1308.62 20 0 5 3 22469.0 1205.10 19 0 5 4 59.2920 69.2762 18 0 -5 -4 33.6582 73.7518 20 0 -5 4 200.623 87.2469 14 0 5 -4 233.097 92.1833 16 0 5 4 228.737 132.074 1 0 5 4 281.707 152.666 19 0 -5 5 13994.9 603.410 15 0 5 -5 13628.5 584.386 16 0 5 5 13671.4 578.772 18 0 5 5 11908.1 893.454 1 0 -5 5 12822.0 1107.85 20 0 -5 5 13632.8 582.080 13 0 5 5 14312.2 495.797 10 0 5 5 12371.4 461.476 11 0 -5 5 14018.0 606.746 14 0 5 -6 15671.2 629.127 16 0 5 6 14774.5 588.961 18 0 -5 6 15778.9 644.221 13 0 5 6 14330.2 525.073 11 0 -5 6 15301.8 647.371 15 0 5 6 15761.5 557.249 10 0 -5 6 14540.9 1216.47 20 0 -5 6 15008.9 642.120 14 0 -5 7 22420.1 789.277 15 0 -5 7 22856.4 797.930 14 0 5 7 21264.6 661.236 11 0 5 7 22075.9 681.781 10 0 5 7 23106.4 692.170 18 0 5 -7 22521.0 742.582 16 0 -5 8 6392.87 417.252 15 0 5 8 6402.89 373.813 10 0 5 8 6452.08 371.530 11 0 -5 8 6565.79 423.992 14 0 5 -8 6088.93 371.445 16 0 5 9 4220.05 291.410 11 0 5 9 4202.39 268.416 5 0 -5 9 3616.55 304.603 14 0 5 9 4223.29 297.571 10 0 -5 10 14570.7 564.053 8 0 5 10 14692.1 513.111 10 0 5 10 13924.6 455.675 5 0 5 11 1552.32 148.278 10 0 5 11 1565.54 136.983 5 0 -5 11 1499.65 165.439 8 0 5 12 5943.53 208.405 5 0 -5 12 6327.85 271.822 8 0 6 0 36229.9 919.360 16 0 -6 0 33182.7 1649.32 20 0 6 0 33236.7 874.898 18 0 -6 1 879.910 150.371 14 0 -6 -1 610.307 237.417 20 0 6 -1 874.729 151.815 16 0 6 1 797.819 125.578 16 0 6 1 615.717 127.867 18 0 -6 1 550.060 234.442 20 0 6 2 11425.1 546.961 18 0 -6 2 11923.5 579.946 14 0 -6 -2 11862.4 1003.28 20 0 6 -2 11934.1 565.848 16 0 -6 2 12941.4 1085.81 20 0 -6 3 1837.86 431.155 20 0 -6 3 1865.75 213.923 13 0 6 3 1840.83 228.745 18 0 -6 3 2026.38 245.790 14 0 -6 -3 2119.03 415.522 20 0 6 3 1937.97 388.551 19 0 6 -3 1644.26 213.891 16 0 6 4 20947.7 1342.47 19 0 -6 4 21316.6 1500.72 20 0 6 4 20867.2 752.110 18 0 -6 4 23083.2 831.190 14 0 6 -4 21782.0 794.221 16 0 -6 4 22903.6 771.180 13 0 -6 5 26139.5 891.955 14 0 6 5 24880.2 793.280 18 0 6 -5 26072.1 864.384 16 0 -6 5 26698.9 894.423 15 0 -6 6 2.97400 76.5845 15 0 -6 6 34.2495 79.0440 14 0 -6 7 2552.46 281.711 15 0 -6 7 2583.49 283.140 14 0 6 -7 2486.39 254.076 16 0 6 8 131.359 63.8845 5 0 -6 8 269.875 117.764 14 0 6 -8 125.708 79.4102 16 0 -6 8 179.788 77.7681 15 0 -6 9 894.818 149.266 8 0 -6 9 853.643 140.742 15 0 6 9 818.737 112.486 5 0 6 10-9.38487 46.3907 5 0 -6 10 68.0256 55.4929 8 0 -6 11-20.5734 45.4448 8 0 6 11 9.14009 26.0842 5 0 7 0 178.295 101.901 16 0 7 0 84.1674 71.2611 18 0 7 -1 2150.58 254.275 16 0 -7 1 2078.29 253.668 14 0 7 1 2249.46 239.690 16 0 7 1 1815.84 217.780 18 0 7 -2 51.4281 89.9798 16 0 -7 2-17.6854 116.816 15 0 -7 2 119.229 90.6363 14 0 7 -3 2180.57 273.684 16 0 7 3 2999.61 300.595 18 0 -7 3 2341.44 289.739 15 0 -7 3 2526.38 290.792 14 0 -7 4 567.834 156.888 15 0 7 -4 462.902 137.871 16 0 -7 4 538.989 148.316 14 0 -7 5 24608.5 871.384 14 0 7 -5 23950.4 843.698 16 0 -7 5 24266.1 876.702 15 0 -7 6 791.369 163.048 15 0 -7 6 807.923 164.474 14 0 7 -6 1015.72 177.402 16 0 -7 7 3067.21 287.127 15 0 7 -7 2988.02 262.456 16 0 7 7 3144.57 218.327 5 0 -7 7 3185.18 269.974 8 0 -7 7 3082.80 285.090 14 0 7 8 2851.49 191.308 5 0 -7 8 2830.17 233.310 8 0 -7 8 2673.91 246.020 15 0 7 -8 2441.50 212.323 16 0 7 9 4426.44 211.010 5 0 -7 9 4427.92 259.817 8 0 -7 10 3356.22 189.339 8 0 7 10 2931.22 144.690 5 0 -8 0 6426.77 448.972 15 0 8 0 7712.52 395.420 17 0 8 0 7726.64 448.125 16 0 8 1 574.642 110.908 17 0 8 1 417.939 109.646 16 0 -8 1 341.968 131.087 15 0 8 -1 517.720 134.897 16 0 -8 2 2362.00 279.129 15 0 8 -2 2570.58 280.036 16 0 -8 2 2438.00 263.210 14 0 8 -3 1951.11 250.842 16 0 -8 3 2068.66 264.712 15 0 -8 3 1952.38 242.275 14 0 8 -4-12.2878 96.6548 16 0 -8 4 104.449 90.9234 14 0 -8 4 59.6468 95.9257 15 0 -8 5 7067.30 426.826 14 0 8 5 6042.14 268.097 5 0 8 -5 6669.29 409.939 16 0 -8 5 6960.94 437.542 15 0 8 6 1377.49 121.916 5 0 -8 6 1374.47 149.221 8 0 -8 6 1645.37 202.238 15 0 8 -6 1536.05 186.739 16 0 8 7 2928.66 165.176 5 0 -8 7 3085.74 241.401 15 0 -8 7 3539.12 219.792 8 0 8 -7 3080.09 227.738 16 0 8 8 704.143 71.2904 5 0 -8 8 694.297 87.7526 8 0 -9 0-158.213 76.1580 15 0 -9 0-21.3337 54.7886 7 0 9 -1-3.19054 51.9557 17 0 -9 1-8.77175 81.8342 15 0 9 -2 31.6161 56.4656 17 0 -9 2 60.2673 64.3796 15 0 9 -3 3247.75 229.534 17 0 9 -3 3677.62 277.873 16 0 -9 3 3772.47 293.190 15 0 -9 4 434.202 109.559 15 0 -9 5 967.691 137.632 15 0 9 -6-37.2544 37.0120 17 0 -9 6 39.8498 41.9566 15 -1 0 15 4825.03 186.700 10 -1 0 14 15.0922 38.8562 10 -1 0 13 10297.4 404.636 10 -1 0 12 1.03098 61.2808 10 -1 0 12 74.2648 60.9463 11 -1 0 11 14309.8 520.779 10 -1 0 10 58.7678 40.5558 12 -1 0 10-238.316 80.7528 10 -1 0 9 7845.76 365.355 6 -1 0 9 9274.18 794.973 2 -1 0 9 7819.41 717.243 1 -1 0 9 7401.24 335.472 12 -1 0 9 7702.51 355.043 10 -1 0 8 95.7384 92.8823 1 -1 0 8 229.336 139.900 2 -1 0 7 18340.4 938.908 1 -1 0 7 22396.1 1076.67 2 -1 0 6-29.8605 64.9287 1 -1 0 6 46.4088 92.7356 2 -1 0 5 282526. 2156.62 21 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63.0457 56.4700 10 -1 -1 12 142.333 74.1704 10 -1 1 12 173.876 67.2426 11 -1 -1 11 2344.39 216.543 10 -1 1 11 2290.78 215.634 10 -1 -1 10 9203.26 412.880 10 -1 1 10 8311.43 381.057 6 -1 1 10 9700.59 423.746 10 -1 1 10 8054.95 816.906 1 -1 1 9 34154.2 741.903 12 -1 -1 9 35073.6 762.239 10 -1 1 9 34747.2 1594.61 1 -1 1 9 37049.2 787.365 10 -1 1 9 35457.7 764.543 6 -1 -1 9 37841.0 1711.89 2 -1 1 8 9.81493 94.7058 1 -1 1 8 186.468 113.864 2 -1 -1 8-95.3007 108.029 2 -1 -1 8 25.1307 79.4587 1 -1 1 7 121826. 2405.71 2 -1 1 7 115906. 2493.14 1 -1 -1 7 113581. 2169.71 1 -1 -1 6 744.024 177.789 1 -1 -1 6 390.493 150.237 20 -1 1 6 621.752 174.257 1 -1 1 6 377.201 141.655 2 -1 1 5 148356. 2308.97 1 -1 -1 5 153890. 2015.99 1 -1 1 4 4962.11 337.892 2 -1 -1 4 5674.68 331.109 1 -1 1 4 4902.96 379.327 1 -1 1 4 4720.51 169.842 21 -1 -1 4 5662.56 444.253 20 -1 -1 3 337591. 2077.26 1 -1 1 3 339518. 2089.78 2 -1 -1 3 342850. 3123.14 20 -1 1 2 1043.60 119.255 21 -1 -1 2 1110.52 166.609 20 -1 -1 1 156232. 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157.591 1 -4 0 8 22696.1 1151.71 1 -4 0 7-51.8974 57.9605 21 -4 0 7-19.9763 87.5223 1 -4 0 6 29399.2 1133.28 21 -4 0 5 92.6557 111.107 21 -4 0 4 3529.43 387.394 21 -4 0 3 189.676 155.686 21 -4 0 2 7492.56 502.437 21 -4 0 1-22.6402 87.1615 21 4 0 -1 37.9476 44.0146 2 4 0 0 300621. 2117.09 19 -4 0 0 306788. 3055.99 21 4 0 1 1.16204 9.05724 20 4 0 1 14.0319 39.8279 19 -4 0 -1-30.7411 82.7611 21 4 0 1 26.5487 76.9993 2 4 0 2 299276. 3625.52 2 -4 0 -2 292034. 3074.13 21 4 0 3-36.1580 131.903 2 -4 0 -3 85.2916 68.6357 21 4 0 4 260567. 4067.42 2 4 0 5-194.422 140.739 2 4 0 6 69365.3 2384.75 2 4 0 7 90.2398 117.406 2 4 0 7 77.2368 45.3262 10 4 0 8 9334.29 406.936 10 4 0 8 10274.5 463.527 4 4 0 9-33.7077 58.9173 4 4 0 9-37.3011 46.1726 10 4 0 10 1214.68 136.030 10 4 0 10 1380.28 155.125 4 4 0 11 14.5374 35.9077 10 4 0 11-11.9986 32.6350 4 4 0 12 9.17946 26.6368 10 -4 -1 15 219.707 49.9782 10 -4 1 15 301.866 57.7644 11 -4 1 15 321.932 55.7734 10 -4 1 14 306.162 72.9708 10 -4 1 14 208.015 61.0863 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441.526 175.265 20 -4 3 2 218.817 165.308 21 -4 3 1 11087.8 857.115 21 -4 -3 1 11470.3 661.922 20 4 3 -1 13011.0 707.290 19 4 -3 0 339.486 137.370 20 -4 -3 0 895.630 175.139 20 4 3 0 784.932 201.453 19 4 -3 1 14549.2 790.499 20 4 3 1 16039.8 863.423 19 -4 -3 -1 15737.2 822.054 21 4 -3 2 16337.0 861.560 20 4 3 2 16798.5 920.407 19 4 -3 3 2763.96 381.811 20 4 3 3 3000.89 433.397 19 4 3 4 2125.33 414.946 19 4 3 5 1652.87 182.303 10 4 3 5 1468.47 415.381 19 4 3 5 1640.79 170.352 5 4 -3 5 1680.64 197.750 8 4 -3 5 1348.48 358.719 2 4 3 5 1410.85 175.882 4 4 -3 6 1344.37 186.063 8 4 3 6 1264.15 152.726 5 4 -3 6 996.680 305.127 2 4 3 6 1065.29 156.663 10 4 3 6 1080.01 153.131 4 4 3 7 5024.37 299.550 5 4 -3 7 4690.56 315.472 9 4 -3 7 4865.82 345.350 8 4 3 7 4748.09 325.845 10 4 3 7 4738.46 326.523 4 4 3 8 1388.12 153.124 5 4 -3 8 1345.15 183.859 8 4 3 8 1345.54 174.991 10 4 3 8 1441.01 169.623 4 4 3 9 3709.71 224.110 5 4 3 9 3973.00 274.856 10 4 3 9 3394.95 234.727 4 4 -3 9 3438.12 266.175 8 4 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893.546 20 -4 4 4 11049.6 755.265 1 -4 4 3 7303.36 575.204 1 -4 -4 3 6864.04 699.975 20 -4 -4 2 9409.06 774.525 20 4 4 -2 9720.93 678.573 19 -4 -4 1 22638.1 1135.81 20 4 4 -1 25158.3 1125.92 19 4 -4 -1 24082.6 1142.79 20 4 -4 0 74961.8 2020.30 20 4 4 0 78879.0 2046.62 19 -4 -4 -1 10585.8 749.488 21 4 4 1 12153.5 831.930 19 4 -4 1 10768.9 779.098 20 4 -4 2 34980.5 1452.97 20 4 4 2 38907.5 1568.63 19 4 -4 3 775.432 232.211 20 4 4 3 983.482 129.136 5 4 -4 3 973.828 154.047 8 4 4 3 1164.29 296.701 19 4 4 3 788.854 142.120 18 4 4 3 950.438 135.854 4 4 -4 3 850.684 154.080 15 4 4 3 1016.19 138.526 10 4 -4 4 60235.7 2190.03 20 4 4 4 63286.4 2408.30 19 4 4 4 58654.1 1181.02 18 4 4 4 64138.6 1059.74 5 4 -4 4 64665.7 1224.89 8 -4 4 -4 62183.0 1172.07 16 4 4 4 59193.6 1137.45 4 4 -4 4 61052.5 1264.24 15 4 4 4 64096.0 1132.34 10 4 4 5 1230.34 154.368 5 4 4 5 1201.43 174.779 18 4 4 5 1326.44 386.855 19 4 -4 5 1095.12 173.170 8 4 4 5 1096.62 160.749 4 4 -4 5 1293.98 194.166 15 4 -4 5 535.399 249.314 2 4 4 5 1109.38 159.567 10 4 4 6 35062.0 799.786 5 4 -4 6 33046.3 923.211 8 4 4 6 33660.3 863.266 4 4 4 6 32750.1 865.803 10 4 4 7 4276.19 278.340 5 4 -4 7 4260.58 329.942 8 4 4 7 4169.84 299.896 4 4 4 7 4317.19 314.938 10 4 4 8 3397.88 232.815 5 4 -4 8 3175.74 248.670 9 4 -4 8 3407.08 283.461 8 4 4 8 3636.72 250.708 4 4 4 8 3251.81 264.486 10 4 4 9 1636.56 147.178 5 4 -4 9 1397.02 168.793 8 4 4 9 1327.51 158.249 10 4 -4 10 75.5353 53.4027 8 4 4 10 60.5318 48.2365 10 4 -4 11 1480.54 119.729 4 -4 -5 13 94.4123 37.6968 10 -4 5 13 95.7399 34.3385 5 -4 -5 13 17.3670 35.5209 8 -4 5 13 75.2288 34.2076 11 -4 -5 12 2035.39 169.723 10 -4 5 12 1777.27 152.391 11 4 5 -11 2272.88 203.078 16 -4 -5 11 2099.53 204.715 14 -4 -5 11 2306.23 236.669 13 -4 5 11 2191.38 190.574 11 -4 -5 10 5610.74 372.321 14 -4 -5 10 6452.11 418.109 13 -4 5 10 6409.20 338.802 11 -4 -5 9 87.3676 90.2400 13 -4 5 9 98.4049 64.7443 11 -4 -5 8 30026.3 935.790 13 -4 5 8 31297.1 831.511 17 -4 -5 7 2186.61 481.200 20 -4 5 7 2601.44 247.113 17 -4 5 7 2140.51 419.484 1 -4 -5 7 2680.29 272.270 13 -4 -5 6 25502.2 1632.43 20 -4 5 6 24691.6 1365.54 1 -4 5 6 27674.2 768.350 17 -4 -5 6 25353.3 819.222 13 -4 -5 5 10879.5 1047.91 20 -4 5 5 11468.8 481.798 17 -4 -5 5 11194.2 527.821 13 -4 5 5 9927.08 831.122 1 -4 -5 4 4059.35 629.998 20 4 5 -4 4172.04 512.745 19 -4 5 4 4606.68 305.923 17 4 -5 -4 4289.38 291.845 7 -4 -5 4 4744.16 333.394 13 -4 5 3 23389.8 667.572 17 -4 -5 3 21225.3 1392.41 20 4 5 -3 23768.8 1221.54 19 4 -5 -3 23279.8 1350.71 20 4 -5 -2 6369.40 697.732 20 4 5 -2 6388.46 645.576 19 -4 -5 2 7431.74 791.337 20 4 -5 -1 19738.5 1196.32 20 4 5 -1 21568.2 1160.24 19 4 5 -1 20739.1 580.606 4 -4 5 1 22191.1 731.218 16 4 -5 0 6485.74 683.714 20 4 5 0 7831.42 451.910 18 4 5 0 6622.34 336.271 4 -4 5 0 7253.08 427.636 16 4 -5 0 7093.40 434.617 15 4 5 0 7319.48 701.990 19 4 5 1 9189.53 500.497 18 4 -5 1 9099.49 821.285 20 4 5 1 8581.22 777.532 19 4 5 1 9789.63 420.294 4 -4 5 -1 9916.31 506.289 16 4 -5 1 10104.8 531.107 15 4 -5 2 1739.49 379.226 20 4 -5 2 2300.00 224.483 8 4 5 2 2160.20 428.579 19 4 5 2 2038.97 187.182 5 4 5 2 2058.00 211.939 4 -4 5 -2 2484.85 267.928 16 4 -5 2 2492.29 273.501 15 4 5 2 2292.37 256.448 18 4 -5 3 2352.56 455.416 20 4 5 3 3092.14 523.527 19 4 5 3 2471.55 218.564 5 4 5 3 2351.44 262.017 18 4 5 3 2315.19 229.548 4 -4 5 -3 2722.33 277.410 16 4 -5 3 2675.20 278.392 15 4 -5 3 2344.72 241.497 8 4 -5 4 2145.04 470.218 20 4 5 4 1427.00 165.304 5 4 5 4 1163.73 353.194 19 4 5 4 1397.76 197.999 18 4 5 4 1373.18 177.017 4 -4 5 -4 1406.16 197.468 16 4 -5 4 1627.91 230.849 15 4 -5 4 1505.39 198.706 8 4 5 5 3084.66 239.551 5 4 5 5 3029.28 284.601 18 4 -5 5 3038.37 285.563 8 4 5 5 2413.90 239.946 4 4 -5 5 3248.41 317.415 15 4 5 6 1141.34 167.607 18 4 5 6 1564.14 168.155 5 4 -5 6 1323.77 194.614 8 4 5 6 1560.30 190.825 4 4 5 7 3159.20 227.560 5 4 5 7 3213.64 247.548 18 4 -5 7 3390.14 286.763 8 4 5 7 3346.66 240.938 4 4 -5 8 860.238 130.089 9 4 5 8 788.549 105.792 5 4 -5 8 771.564 135.825 8 4 5 9 6209.05 241.570 5 4 -5 9 5905.38 308.249 8 4 5 10 4114.94 144.123 5 4 -5 10 1401.28 129.031 8 -4 -6 12 127.698 39.6330 10 -4 6 12 129.944 37.6292 5 -4 -6 12 109.527 41.0936 8 -4 -6 11 2632.88 180.047 10 4 6 -11 2131.95 171.509 16 -4 -6 11 2308.10 187.178 14 4 6 -10 625.526 120.358 16 -4 -6 10 722.707 132.212 14 -4 -6 10 656.554 130.194 13 4 6 -9 508.899 129.488 16 -4 -6 9 425.037 109.203 15 -4 -6 9 469.997 124.756 14 -4 -6 9 373.820 114.973 13 -4 6 8 903.926 136.070 17 -4 -6 8 1019.38 177.362 13 -4 6 7 149.917 80.2493 17 -4 -6 7 281.329 102.246 13 -4 6 6 343.988 102.448 17 -4 -6 6 313.339 112.282 13 4 6 -5 3394.94 515.573 19 -4 6 5 3587.24 288.828 17 -4 -6 5 3939.60 339.117 13 4 -6 -4 137.412 141.648 20 -4 -6 4 197.340 166.466 20 -4 6 4 334.270 101.324 17 4 6 -4 616.041 222.221 19 -4 -6 4 342.784 104.394 13 4 -6 -4 317.287 99.6533 7 4 6 -3 5231.68 628.512 19 4 -6 -3 4908.92 703.785 20 -4 -6 3 3710.49 656.493 20 -4 6 3 4801.21 337.045 17 4 -6 -3 4805.43 338.326 7 -4 -6 3 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393.772 106.940 4 4 6 5 337.647 89.9622 5 4 6 6 5332.91 282.322 5 4 -6 6 5123.08 340.995 8 4 -6 6 4744.20 293.865 7 4 6 6 5760.42 312.507 4 4 6 6 4285.32 293.476 18 4 6 7 2911.57 194.515 5 4 -6 7 3349.94 259.207 8 4 6 8 1856.09 135.789 5 4 -6 8 1536.21 165.380 8 4 -6 8 1515.69 148.815 9 4 -6 9 4339.51 220.605 8 4 6 9 5367.40 170.523 5 -4 7 11 482.083 60.8518 5 -4 -7 11 353.966 62.1991 8 -4 -7 10 1409.81 113.762 10 4 7 -10 1399.70 141.814 16 -4 -7 10 1391.49 149.098 14 4 7 -9 1406.06 167.615 16 -4 -7 9 1205.77 148.817 15 -4 -7 9 1113.23 155.015 14 4 7 -8 2928.60 269.630 16 -4 -7 8 2833.97 256.827 15 -4 -7 8 2946.14 275.598 14 -4 -7 8 3106.56 274.926 13 -4 7 7 2154.75 194.986 17 4 7 -7 2689.98 283.643 16 -4 -7 7 2680.69 284.440 14 -4 -7 7 2133.98 236.403 13 -4 7 6 5058.08 321.006 17 4 7 -6 5557.77 416.986 16 -4 -7 6 5061.06 375.244 13 -4 7 5 7596.81 405.691 17 4 7 -5 7542.50 494.279 16 -4 -7 5 7431.04 456.945 13 -4 7 4 3056.74 272.527 17 4 7 -4 2783.70 299.802 16 4 -7 -4 3220.12 267.789 7 -4 7 3 7464.16 426.685 17 4 7 -3 6798.18 450.954 16 4 -7 -3 7406.04 428.043 7 -4 7 2 264.696 102.704 17 4 7 -2 397.913 118.765 18 4 7 -2 140.162 87.9966 16 4 -7 -2 202.144 106.791 7 -4 7 1 15212.0 618.771 17 4 7 -1 13729.9 667.026 18 4 7 -1 13884.3 560.757 16 4 -7 -1 13854.2 634.654 15 4 7 0-161.192 100.077 18 4 -7 0-9.74579 67.0958 15 4 7 1 2796.81 308.480 18 4 -7 1 2751.01 307.148 15 4 7 2 1426.69 216.631 18 4 -7 2 1451.80 229.077 15 4 7 3 829.821 105.569 5 4 7 3 779.310 165.522 18 4 -7 3 824.226 175.753 15 4 7 4 1150.49 121.835 5 4 -7 4 1317.08 167.178 8 4 7 4 1382.75 189.032 18 4 7 5 1003.25 113.151 5 4 7 5 1447.22 172.447 18 4 -7 5 1239.72 155.547 8 4 -7 5 1220.98 155.077 7 4 -7 6 168.820 73.1402 8 4 -7 6 188.883 65.0549 7 4 -7 7 2076.45 166.991 9 4 -7 7 2323.84 173.232 8 4 7 8 3014.13 110.523 5 4 -7 8 453.999 65.2467 8 -4 8 9 40.1528 27.7135 5 4 8 -9 103.312 47.1127 16 -4 -8 9 101.939 48.6198 14 -4 -8 9 74.4961 35.4710 8 4 8 -8 76.2302 57.5867 16 -4 -8 8 116.770 67.3623 14 -4 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587.065 8 5 2 7 15449.1 578.875 4 5 2 7 13436.9 448.865 5 5 2 8 1336.12 166.548 4 5 2 8 1210.04 157.114 10 5 -2 8 1352.99 177.127 8 5 -2 9 17852.8 563.018 8 5 2 9 18696.7 550.583 4 5 -2 9 18779.1 589.041 4 5 2 9 18018.7 545.685 10 5 2 10 1246.55 124.316 4 5 -2 10 1391.50 147.552 4 5 2 10 1334.12 133.951 10 5 -2 11 8440.61 286.233 4 5 2 11 7578.71 249.794 10 -5 -3 15-5.85695 26.1679 10 -5 3 15 35.9648 30.4766 11 -5 -3 14-1.57226 40.0120 10 -5 3 14 32.1461 39.7841 11 -5 -3 13 1705.17 177.021 10 -5 3 13 1520.43 151.144 6 -5 3 13 1648.11 165.163 11 -5 -3 12 1998.35 213.534 10 -5 -3 12 1683.74 196.051 13 -5 3 12 1880.78 189.221 6 -5 -3 11 6019.55 400.323 13 -5 3 11 5539.14 334.043 12 -5 3 11 5936.15 359.186 6 -5 3 10 245.153 92.0789 6 -5 -3 10 16.9470 63.1745 13 -5 3 10 169.915 71.8814 12 -5 3 9 1826.40 405.272 1 -5 3 9 1877.39 211.581 17 -5 -3 9 2094.79 237.401 13 -5 3 9 1959.59 198.829 12 -5 3 8 13226.9 526.740 17 -5 3 8 12604.4 1009.16 1 -5 -3 8 13153.0 563.806 13 -5 3 8 12818.9 475.804 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103.450 8 7 -5 7 45.1632 48.6686 8 7 5 7 22.8752 22.5693 4 7 -5 7 59.1284 37.2323 4 -7 -6 12 230.992 49.9671 10 7 6 -11 3436.46 222.318 16 -7 -6 11 3341.83 207.617 14 -7 -6 11 3694.71 238.494 13 -7 6 10 67.8881 41.7666 6 -7 -6 10 232.234 71.4418 14 -7 -6 10 200.289 81.6900 13 -7 6 9 2145.61 204.251 17 -7 -6 9 2373.77 243.127 13 -7 6 8 4884.60 330.381 17 -7 -6 8 5639.90 382.467 13 -7 6 7 3613.31 288.728 17 -7 -6 7 3233.26 300.456 13 -7 6 6 357.290 117.900 17 7 -6 -6 58.3013 73.8433 7 -7 -6 6 310.004 103.183 13 7 6 -5 97.2645 74.1999 18 -7 6 5-8.27154 63.0809 17 -7 -6 5 47.3396 75.3550 13 7 -6 -5-13.2331 55.3329 7 7 6 -4 2394.60 277.600 18 -7 6 4 2664.89 264.185 17 7 -6 -4 2697.11 272.236 7 -7 -6 4 2913.82 293.673 13 7 6 -3 234.991 124.503 18 -7 6 3 292.568 100.119 17 7 -6 -3 460.431 145.455 7 7 -6 -2-13.5920 64.8178 9 7 6 -2 61.3204 75.1737 18 -7 6 2 84.4972 78.5486 17 7 -6 -2 34.5127 79.0425 7 7 6 -1 2337.99 279.658 18 -7 6 1 2266.49 250.392 17 7 -6 -1 2205.93 266.145 7 7 6 0 12.1766 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135.869 16 -7 -7 8 528.622 107.923 13 -7 7 7 35.8761 50.7216 17 7 7 -7-84.1245 95.7610 16 -7 -7 7 67.3865 67.4678 13 -7 7 6 3598.53 272.309 17 7 -7 -6 3483.00 247.198 7 -7 -7 6 3336.07 280.740 13 -7 7 5 86.4524 78.6904 17 7 7 -5-15.2663 60.4281 16 -7 -7 5-43.7024 66.0066 13 7 -7 -5 140.365 70.1855 7 7 7 -4 16086.4 635.196 18 -7 7 4 17304.6 622.651 17 7 7 -4 16353.0 610.288 16 7 -7 -4 17357.2 633.064 7 7 7 -3 3501.74 318.617 18 -7 7 3 4232.19 319.258 17 7 -7 -3 3692.98 312.055 7 7 7 -2 2373.76 264.756 18 -7 7 2 2470.18 246.409 17 7 -7 -2 2376.81 255.635 7 7 -7 -1 2782.83 244.409 9 7 7 -1 3269.70 311.978 18 -7 7 1 2758.28 255.391 17 7 -7 -1 3086.63 298.377 7 7 -7 0 198.601 87.9919 9 7 7 0 297.603 115.768 18 -7 7 0 130.329 69.5600 17 7 -7 0 351.618 110.404 7 7 -7 1 4946.57 329.796 9 7 7 1 5193.29 360.580 18 -7 7 -1 4337.15 292.541 17 7 -7 1 5125.53 346.404 7 7 -7 2-7.61604 62.7901 9 -7 7 -2 49.1912 48.3223 17 7 -7 2 62.7516 69.4992 7 7 -7 3 1505.26 166.705 9 7 7 3 1262.78 144.591 18 -7 7 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38.4210 9 7 8 2 76.9715 40.7704 18 -7 8 -2 113.375 40.7296 17 7 -8 2 46.7185 34.2645 7 -8 0 14 7679.00 333.984 12 -8 0 13 45.4412 52.8792 6 -8 0 13-22.1105 71.5489 12 -8 0 12 291.438 89.5434 6 -8 0 12 282.017 94.8240 12 -8 0 11-20.6355 53.3529 6 8 0 -10 16399.3 585.267 7 -8 0 10 15404.3 569.253 6 -8 0 10 16874.6 1247.78 1 -8 0 9 10.5124 57.0067 6 8 0 -9-95.5578 62.9006 7 8 0 -8 29740.6 780.396 7 -8 0 8 27600.5 717.982 6 -8 0 7 308.448 195.271 21 8 0 -7-24.4779 40.9605 7 -8 0 6 31599.6 1713.68 21 -8 0 5 78.2250 132.194 21 -8 0 4 12848.0 1062.98 21 -8 0 3-1.18301 95.7663 21 -8 0 2 9427.86 867.679 21 -8 0 1-100.349 110.100 21 -8 0 0 26033.4 1446.50 21 8 0 0 25073.5 726.239 3 -8 0 -1-45.6182 101.173 21 8 0 1 26.5200 63.0836 3 8 0 1-45.9056 109.703 2 8 0 1-39.8003 58.0185 4 8 0 2 1500.10 339.494 2 8 0 2 1480.87 177.306 4 8 0 3-59.1714 116.776 2 8 0 3-32.3395 58.0108 4 8 0 4 46725.0 1047.73 3 8 0 4 45492.7 1005.29 4 8 0 5 15.6782 42.3895 3 8 0 5-46.4379 53.4557 4 8 0 6 9554.37 418.944 3 8 0 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7 5986.14 798.661 21 -8 1 7 5721.29 375.354 17 8 1 -7 5748.70 353.518 7 8 -1 -7 6056.41 353.778 7 -8 -1 6 32185.1 1732.15 21 -8 1 6 32896.4 1812.33 21 8 1 -6 34480.1 855.391 7 8 -1 -6 34637.5 834.197 7 -8 -1 5 563.727 242.377 21 -8 1 5-73.4529 127.746 21 -8 -1 4 95511.1 2838.29 21 -8 1 4 93697.6 2985.20 21 -8 -1 3 857.175 279.147 21 -8 1 3 750.950 281.079 21 8 1 -3 934.305 213.809 19 -8 -1 2 55762.7 2081.39 21 8 1 -2 56102.4 1554.95 19 -8 1 2 51589.4 2144.40 21 -8 -1 1 2309.56 424.874 21 -8 1 1 2189.01 434.766 21 -8 1 0 35739.6 1820.70 21 8 -1 0 39256.6 934.309 9 8 1 0 40067.6 915.540 3 -8 -1 0 38550.9 1727.09 21 -8 1 -1 20466.2 1377.44 21 8 -1 1 21931.0 713.774 9 8 1 1 20645.8 683.607 3 8 1 1 20058.0 618.151 4 8 -1 1 19218.3 598.616 4 8 -1 1 20576.7 1228.89 2 8 -1 2 3928.92 309.178 9 8 1 2 3320.16 281.334 3 8 -1 2 2718.99 488.539 2 8 1 2 3059.23 256.903 4 8 -1 2 3463.78 271.257 4 8 -1 3 646.501 128.971 4 8 -1 3 618.780 131.738 9 8 -1 3 756.824 289.103 2 8 1 3 577.610 117.471 3 8 1 3 627.830 127.477 4 8 1 4 4697.51 324.674 3 8 1 4 4700.70 330.145 4 8 -1 4 5038.20 336.531 4 8 -1 5 1.51214 58.0280 4 8 1 5 76.5356 52.4972 3 8 1 5 3.05702 49.4674 4 8 1 6 865.680 138.824 4 8 -1 6 816.713 127.072 4 8 -1 7 548.351 96.7454 3 8 1 7 639.763 109.099 4 8 -1 7 641.228 108.861 4 8 -1 8 1016.92 101.670 3 8 1 8 1191.38 122.095 4 8 -1 8 1247.89 127.144 4 8 1 9 5.73913 22.2044 4 8 -1 9 5.77061 25.2101 4 -8 2 15 57.2662 32.8319 11 -8 -2 14 1717.13 134.676 10 -8 -2 14 1589.22 131.598 12 -8 2 14 1818.37 156.594 6 -8 2 13 380.013 94.3918 6 -8 -2 13 343.656 82.5595 10 -8 2 13 364.949 89.6064 12 -8 -2 13 331.857 77.9569 12 -8 2 12 11049.5 451.671 12 -8 -2 12 11556.6 467.831 12 -8 2 12 11057.3 472.449 6 -8 2 11 181.047 89.9233 6 -8 -2 11 287.707 95.2018 13 -8 -2 11 127.726 65.5064 6 -8 2 11 214.054 87.3108 12 -8 -2 10 870.584 140.330 6 -8 -2 10 1262.39 184.325 13 -8 2 10 1240.14 168.712 12 -8 2 10 1177.92 169.600 6 -8 -2 9 16552.4 1284.72 21 -8 2 9 17885.4 1303.21 1 -8 2 9 18034.4 670.135 17 8 2 -9 18275.9 655.789 7 8 -2 -9 17927.7 612.848 7 -8 -2 9 18951.9 614.943 6 -8 2 8 1864.78 228.487 17 8 2 -8 1846.97 219.548 7 8 -2 -8 1888.38 198.331 7 -8 -2 8 2171.81 472.310 21 -8 -2 7 638.351 258.515 21 -8 2 7 370.007 103.672 17 8 2 -7 348.806 109.507 7 8 -2 -7 389.265 99.0363 7 -8 -2 6 20522.0 1428.08 21 -8 2 6 21416.2 1543.45 21 8 2 -6 20294.3 613.998 3 -8 2 6 23282.0 715.849 17 8 2 -6 20925.3 702.278 7 8 -2 -6 21691.6 678.476 7 -8 -2 5-56.2952 123.220 21 8 2 -5 7.03245 44.1586 3 -8 2 5-21.4020 52.3348 17 8 2 -5 58.0171 64.4957 7 8 -2 -5 33.6852 51.2171 7 -8 -2 4 20813.5 1375.78 21 -8 2 4 20093.7 1483.41 21 8 2 -4 20855.3 600.317 3 8 -2 -4 21592.3 697.705 7 -8 -2 3 446.855 231.967 21 -8 2 3 31.2224 116.129 21 8 2 -3 212.065 115.140 19 8 2 -3 204.792 71.7397 3 -8 -2 2 6425.18 725.894 21 -8 2 2 7220.22 883.761 21 8 2 -2 7054.35 362.063 3 8 2 -2 6272.40 582.082 19 8 -2 -2 6542.29 390.981 7 -8 2 1 7924.62 918.024 21 8 2 -1 6276.54 604.692 19 8 -2 -1 6969.83 399.280 9 8 2 -1 7030.80 374.037 3 -8 -2 1 7623.06 777.377 21 8 2 -1 6678.91 325.516 4 8 -2 -1 6424.48 382.612 7 -8 -2 0 4922.38 636.129 21 -8 2 0 3816.87 621.544 21 8 2 0 4358.31 510.101 19 8 -2 0 4471.10 331.140 9 8 2 0 4237.73 301.029 3 8 -2 0 4532.61 324.010 8 8 2 0 4445.37 305.780 18 8 2 0 4075.05 268.724 4 8 -2 0 3676.62 288.125 7 -8 2 -1-116.101 139.550 21 8 -2 1 119.729 76.0127 9 8 2 1-7.34423 47.4832 18 8 -2 1 50.9520 71.1633 8 8 2 1 43.0708 50.6051 3 8 2 1-4.23244 47.2935 4 8 -2 2 24658.4 788.162 9 8 2 2 21277.2 699.683 3 8 -2 2 24194.2 800.928 8 8 2 2 22849.3 704.364 18 8 2 2 22176.7 698.255 4 8 -2 2 21655.1 661.090 4 8 -2 3 5974.00 386.747 9 8 2 3 5219.13 338.397 3 8 -2 3 6159.53 412.952 8 8 2 3 5158.49 355.000 4 8 -2 3 4979.34 328.993 4 8 -2 4 5440.47 350.478 9 8 2 4 5422.92 328.497 3 8 -2 4 5833.10 398.777 8 8 2 4 5378.04 359.297 4 8 -2 4 5250.24 336.590 4 8 -2 5 77.4622 64.3340 4 8 -2 5 91.4226 84.8387 8 8 2 5 101.765 63.2216 4 8 2 6 31276.6 762.520 4 8 -2 6 28418.7 721.103 4 8 2 7 581.690 99.5193 4 8 -2 7 610.174 104.694 4 8 -2 8 6587.21 262.781 3 8 2 8 7552.59 282.664 4 8 -2 8 7291.71 285.622 4 8 -2 9 64.9129 28.9227 4 -8 3 14 222.072 51.5884 6 -8 -3 14 194.290 49.8951 10 -8 3 14 343.398 66.5126 11 -8 3 13 10.8594 45.8958 6 -8 -3 13 7.70140 44.0710 10 -8 -3 13 15.3922 33.3617 12 -8 -3 12 4972.58 316.067 13 -8 3 12 5164.88 292.407 12 -8 -3 12 6044.25 308.931 12 -8 3 12 5748.54 328.326 6 -8 -3 11 864.081 150.486 13 -8 3 11 967.741 139.030 12 -8 3 11 1051.72 158.883 6 -8 -3 10 874.290 155.863 13 -8 3 10 1129.44 161.125 12 -8 3 10 963.331 165.980 6 -8 3 9 643.146 142.430 17 8 -3 -9 597.688 116.067 7 -8 3 9 553.002 117.452 12 -8 -3 8 19746.4 1488.43 21 -8 3 8 22231.2 1427.27 1 -8 3 8 21469.9 727.241 17 8 -3 -8 21113.3 670.081 7 -8 3 8 20142.3 620.687 12 -8 -3 7 1766.63 487.538 21 -8 3 7 1778.32 208.565 17 8 -3 -7 1725.81 200.493 7 -8 -3 6 23882.9 1638.27 21 -8 3 6 29239.2 1906.69 21 -8 3 6 26802.0 795.468 17 8 3 -6 24815.4 816.208 7 8 -3 -6 27115.5 784.544 7 -8 -3 5 7148.14 871.047 21 -8 3 5 7434.57 971.712 21 -8 3 5 7957.03 427.207 17 8 3 -5 7021.41 434.138 7 8 -3 -5 7480.71 427.142 7 -8 -3 4 29886.6 1720.31 21 -8 3 4 28237.7 1920.87 21 8 3 -4 28370.2 745.765 3 8 3 -4 26528.1 1293.04 19 8 3 -4 28238.5 639.674 4 -8 3 4 30634.3 826.241 17 8 3 -4 25805.9 821.842 7 8 -3 -4 30012.9 868.853 7 -8 -3 3 889.564 318.998 21 -8 3 3 912.531 351.296 21 8 3 -3 636.208 221.560 19 8 -3 -3 831.688 134.844 9 8 3 -3 721.076 123.639 3 -8 3 3 1067.24 159.445 17 8 3 -3 678.658 131.775 7 8 3 -3 614.948 98.0444 4 8 -3 -3 795.554 157.271 7 -8 -3 2 47943.4 2065.32 21 -8 3 2 47369.8 2412.19 21 8 -3 -2 44802.5 1671.79 20 8 3 -2 50958.4 1009.88 3 8 3 -2 47230.7 1740.03 19 8 -3 -2 51299.6 1089.93 9 8 3 -2 51193.5 1123.20 18 -8 3 2 47620.6 1006.31 17 8 3 -2 50142.1 902.695 4 8 -3 -2 49860.9 1141.80 7 -8 -3 1 6044.54 709.870 21 -8 3 1 5900.54 839.812 21 8 3 -1 4754.94 318.510 3 8 3 -1 5366.94 602.262 19 8 -3 -1 5365.63 372.160 9 8 3 -1 5392.75 366.730 18 8 3 -1 4837.51 293.049 4 8 -3 -1 5098.46 369.222 7 -8 3 0 174.928 153.146 21 8 3 0 317.687 164.197 19 8 -3 0 160.121 79.4184 9 8 3 0 111.272 58.0402 18 8 -3 0 61.6814 73.0453 8 8 3 0 380.002 108.685 3 8 -3 0 213.214 85.4664 7 8 3 0 301.967 85.0670 4 8 3 1 10988.9 487.256 3 8 3 1 10746.4 928.251 19 8 -3 1 12291.9 581.997 9 8 -3 1 11978.4 560.855 8 8 3 1 11333.2 524.302 18 8 3 1 11838.7 501.939 4 8 -3 1 10916.3 508.189 7 8 3 2 1910.92 205.160 3 8 -3 2 2141.67 248.859 9 8 -3 2 1939.54 233.926 8 8 3 2 1609.73 199.586 18 8 3 2 2145.03 224.375 4 8 -3 3 5456.34 378.930 9 8 -3 3 5844.86 404.978 8 8 3 3 4925.42 344.146 18 8 3 3 5260.39 361.443 4 8 -3 4 4045.76 314.050 9 8 3 4 4004.46 309.574 4 8 -3 4 3316.80 263.633 4 8 -3 5 36.9763 56.6842 4 8 -3 5-35.0350 60.8945 9 8 -3 5-73.1933 72.9918 8 8 3 5-6.35392 67.0929 4 8 3 6 5166.80 296.168 4 8 -3 6 4566.39 278.103 4 8 3 7 1515.66 143.348 4 8 -3 7 1473.78 144.538 4 8 3 8 449.034 62.3081 4 8 -3 8 336.803 61.5988 3 8 -3 8 356.158 60.7186 4 -8 -4 14 4647.13 180.339 10 -8 4 13-9.04242 27.8038 6 -8 -4 13 35.7052 38.0571 10 -8 -4 13 28.1413 39.4572 13 -8 4 13 73.5366 40.0422 11 -8 4 12 517.630 99.1179 6 -8 -4 12 334.067 82.3440 13 -8 -4 11 6304.93 377.501 13 -8 4 11 6971.38 371.315 6 -8 4 10 455.269 116.139 17 -8 -4 10 339.369 108.956 13 -8 4 10 438.648 95.1001 12 -8 4 9 2305.92 243.122 17 -8 -4 9 2339.23 252.951 13 -8 4 8 736.867 154.368 17 8 -4 -8 628.400 125.280 7 8 4 -7 9271.89 492.255 18 -8 4 7 10028.1 506.095 17 8 -4 -7 9708.53 473.159 7 8 4 -6 6484.90 707.082 19 8 4 -6 6734.75 436.864 18 -8 4 6 6908.71 419.146 17 -8 4 6 7033.20 773.070 1 8 -4 -6 6997.63 414.011 7 8 4 -5 259.474 144.729 19 8 4 -5-14.2995 50.4923 18 -8 4 5 137.831 95.1192 17 8 -4 -5 106.138 106.651 7 -8 -4 4 6929.85 882.745 21 8 4 -4 7559.67 732.690 19 8 4 -4 7816.11 482.006 18 -8 4 4 7450.75 426.577 17 8 -4 -4 7717.27 464.899 7 -8 -4 3 1931.10 429.270 21 8 -4 -3 2404.68 441.167 20 8 -4 -3 2364.74 231.779 9 8 4 -3 2524.07 443.518 19 8 4 -3 2802.04 289.750 18 8 4 -3 2190.73 195.532 4 -8 4 3 2630.17 257.233 17 8 -4 -3 2556.87 277.173 7 -8 -4 2 9067.65 931.537 21 8 4 -2 9852.80 467.363 3 8 -4 -2 8818.60 828.555 20 8 4 -2 9623.71 855.657 19 8 -4 -2 10088.9 505.344 9 8 4 -2 10335.4 544.719 18 8 4 -2 9634.02 419.414 4 -8 4 2 10044.5 490.838 17 8 -4 -2 10145.6 544.937 7 8 4 -1 539.379 214.182 19 8 -4 -1 544.780 134.854 9 8 4 -1 522.222 119.302 18 8 4 -1 565.924 117.737 3 -8 4 1 547.091 121.465 17 8 4 -1 482.638 113.216 4 8 -4 -1 581.155 137.840 7 8 4 0 1224.89 165.245 3 8 -4 0 1459.40 210.838 9 8 4 0 1260.95 322.357 19 8 -4 0 1346.49 182.984 8 8 4 0 1221.16 186.335 18 8 4 0 1067.85 157.635 4 8 -4 0 1131.93 182.326 7 8 -4 1 9406.72 519.861 9 8 -4 1 8761.91 481.494 8 8 4 1 8929.23 487.185 18 8 4 1 8986.87 450.157 4 8 -4 1 8702.83 473.768 7 8 -4 2 3845.22 331.297 9 8 -4 2 3036.26 296.088 8 8 4 2 2991.22 277.303 18 8 4 2 3306.46 288.926 4 8 -4 2 2870.94 257.604 7 8 -4 3 859.359 164.831 9 8 4 3 753.146 144.263 18 8 -4 3 821.377 163.168 8 8 4 3 677.135 132.770 4 8 -4 4 13227.4 550.253 9 8 -4 4 13557.6 579.198 8 8 4 4 13318.8 530.135 4 8 -4 5 4976.65 312.023 9 8 -4 5 5201.72 340.852 8 8 4 5 5376.28 321.368 4 8 -4 5 4609.54 276.895 4 8 4 6 5863.94 286.329 4 8 -4 6 4659.14 253.210 4 8 4 7-1.73470 27.5815 4 8 -4 7 59.8207 41.8565 4 -8 -5 13 440.004 64.2034 10 -8 5 12-27.2146 38.8945 6 -8 -5 12 70.9081 44.9817 13 -8 5 11 534.781 93.3049 6 -8 -5 11 570.579 116.612 13 -8 5 10 292.595 96.7182 6 -8 5 10 215.843 77.6617 17 -8 -5 10 256.626 95.6106 13 -8 5 9 2734.22 248.074 17 -8 -5 9 2400.12 247.467 13 -8 5 8 743.401 147.622 17 8 -5 -8 695.293 124.953 7 -8 -5 8 573.652 133.802 13 -8 5 7 2513.20 253.781 17 8 -5 -7 2188.32 224.830 7 8 5 -6 18588.6 721.057 18 -8 5 6 19687.2 704.269 17 8 -5 -6 17887.9 667.456 7 8 5 -5 798.000 168.120 18 -8 5 5 1024.82 175.158 17 8 -5 -5 1113.42 186.922 7 8 5 -4 11536.4 601.377 18 -8 5 4 11678.5 549.121 17 8 -5 -4 12624.8 602.478 7 8 5 -3 434.623 135.032 18 -8 5 3 326.025 112.576 17 8 -5 -3 277.399 115.934 7 8 -5 -2 4289.11 332.433 9 8 5 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312.455 78.3492 7 -8 8 3 76.3760 45.9790 17 8 -8 -3 37.8912 52.1240 7 8 8 -2 1498.55 149.371 18 -8 8 2 1836.67 163.230 17 8 -8 -2 1959.79 177.020 7 8 8 -1-21.1517 49.5573 18 -8 8 1 115.847 48.2521 17 8 -8 -1 135.196 59.7195 7 8 8 0 53.6263 34.9596 18 -8 8 0 53.8442 36.6023 17 8 -8 0 39.3469 35.6260 7 8 8 1 736.746 85.1186 18 -9 0 15 353.866 58.1846 12 -9 0 14 71.9941 49.3474 12 -9 0 13 3583.86 249.204 12 -9 0 13 3095.31 222.590 6 -9 0 12-4.38433 58.4003 6 -9 0 12 50.3671 77.7504 12 9 0 -11 27745.2 757.547 7 -9 0 11 25246.8 711.033 6 -9 0 10-40.0999 49.9585 6 9 0 -10-23.0089 48.4696 7 9 0 -9 33210.2 854.685 7 -9 0 9 31850.9 801.872 6 -9 0 8 35.6511 53.7904 6 9 0 -8 51.7218 60.1020 7 -9 0 7 48053.9 2291.24 21 9 0 -7 48489.1 921.688 3 9 0 -7 48217.0 1047.83 7 9 0 -6 106.766 68.2399 3 9 0 -6 162.262 83.3915 7 9 0 -5 4251.40 272.190 3 9 0 -5 3944.73 303.981 7 -9 0 4 143.825 161.940 21 9 0 -4 20.2357 36.1206 3 9 0 -4-29.1168 55.9398 7 -9 0 3 3883.61 607.247 21 9 0 -3 5289.22 315.869 3 9 0 -3 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1437.48 191.227 7 9 -1 -9 1496.83 182.230 7 -9 -1 9 1516.16 180.426 6 -9 1 9 1334.14 172.468 6 -9 -1 8 14854.4 1271.61 21 -9 1 8 15750.0 1339.08 21 9 1 -8 12781.9 557.097 7 9 -1 -8 12765.1 536.508 7 -9 -1 7 12885.0 1192.89 21 -9 1 7 14895.8 1336.19 21 -9 1 7 14120.6 605.812 17 9 1 -7 13938.9 581.366 7 9 -1 -7 15231.2 584.675 7 -9 -1 6 10334.2 1050.88 21 -9 1 6 9076.09 1031.91 21 9 1 -6 8883.45 409.728 3 -9 1 6 9651.47 484.016 17 9 1 -6 9218.48 473.839 7 9 -1 -6 10559.1 495.032 7 -9 -1 5 49.6458 116.734 21 -9 1 5 222.356 84.8855 17 9 1 -5 256.227 71.6726 3 9 -1 -5 169.784 53.3783 3 9 1 -5 128.562 77.1005 7 9 -1 -5 153.522 74.7120 7 -9 -1 4 74.4372 109.951 21 -9 1 4 89.6816 154.509 21 9 1 -4 199.701 68.9431 3 9 -1 -4 129.901 52.6047 3 9 1 -4 200.749 90.9746 7 9 -1 -4 108.709 70.4885 7 -9 -1 3 3560.85 587.706 21 -9 1 3 3647.48 620.431 21 9 1 -3 3239.12 256.175 3 9 -1 -3 3081.19 240.577 3 9 1 -3 3336.42 275.566 7 9 -1 -3 3357.72 281.417 7 -9 -1 2 2551.66 483.181 21 -9 1 2 2547.10 506.686 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421.304 4 9 -2 0 8843.58 446.653 7 9 -2 1 19092.0 712.502 9 9 2 1 19336.4 676.024 3 9 2 1 17157.0 625.394 18 9 2 1 19483.2 649.182 4 9 -2 2 5866.53 387.550 9 9 2 2 5665.36 361.492 3 9 2 2 5484.69 355.585 4 9 -2 2 5287.58 330.829 4 9 -2 3 35.5338 52.0834 4 9 2 3 50.9414 57.9719 3 9 2 3 72.7809 70.0086 4 9 2 4 4192.79 266.523 3 9 2 4 4397.54 306.074 4 9 -2 4 4115.02 284.046 4 9 2 5 4820.43 303.660 4 9 -2 5 4039.76 264.211 4 9 -2 6 171.685 65.2555 3 9 2 6 81.6809 48.0605 4 9 -2 6 89.0208 47.8216 4 9 -2 7-18.2372 34.0234 3 9 2 7 64.6785 34.1014 4 9 -2 7 27.1383 32.9763 4 -9 3 14 191.516 47.4881 6 -9 -3 14 133.957 35.2411 10 -9 3 14 271.879 48.9668 11 -9 3 13-13.1005 51.6652 6 -9 -3 13 0.15521 32.8701 10 -9 -3 13-8.12476 33.0580 12 -9 -3 12 3039.04 233.544 13 -9 3 12 2802.11 203.535 12 -9 3 12 3343.59 244.596 6 -9 3 11 546.840 116.137 6 -9 -3 11 653.986 128.308 13 -9 3 11 681.324 113.779 12 -9 3 10 124.854 91.8582 6 -9 -3 10 218.871 95.2441 13 -9 3 10 86.0268 66.8987 12 -9 3 9 10187.9 526.261 17 9 -3 -9 9735.36 451.712 7 -9 3 9 10319.5 443.484 12 -9 3 8-19.2138 75.6028 17 9 -3 -8 168.083 85.1265 7 -9 3 7 2825.64 277.669 17 9 -3 -7 2974.73 282.025 7 -9 -3 6 696.216 303.410 21 -9 3 6 1265.51 193.673 17 9 3 -6 1012.55 178.226 7 9 -3 -6 1028.30 174.899 7 -9 -3 5 4484.72 704.746 21 -9 3 5 4747.04 873.660 21 9 3 -5 4733.94 576.091 19 -9 3 5 5312.08 365.446 17 9 3 -5 4574.06 361.491 7 9 -3 -5 5043.15 375.811 7 -9 -3 4 8940.05 992.959 21 -9 3 4 10144.0 1191.21 21 9 3 -4 9136.43 444.805 3 9 3 -4 8763.35 772.285 19 -9 3 4 9409.92 482.965 17 9 3 -4 8248.17 470.009 7 9 -3 -4 8953.51 502.807 7 -9 -3 3 9697.60 1008.52 21 -9 3 3 11202.1 1256.76 21 9 3 -3 10166.6 472.997 3 9 -3 -3 10268.0 477.574 9 9 3 -3 10737.6 862.572 19 9 3 -3 10900.5 544.111 18 -9 3 3 10381.6 498.751 17 9 3 -3 9847.87 400.891 4 9 3 -3 10427.1 506.947 7 9 -3 -3 10039.2 535.994 7 -9 -3 2 16476.7 1269.13 21 -9 3 2 16929.2 1515.42 21 9 3 -2 17395.6 619.195 3 9 -3 -2 16686.1 644.631 9 9 3 -2 16649.5 1084.05 19 9 3 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195.199 17 9 -5 -7 1519.48 187.187 7 9 5 -6 97.9429 79.1772 18 -9 5 6 61.7527 65.5794 17 9 -5 -6-55.1091 68.1837 7 9 5 -5 3291.98 316.394 18 -9 5 5 3112.37 286.897 17 9 -5 -5 3034.50 294.254 7 9 5 -4 18119.7 740.089 18 -9 5 4 16500.5 653.007 17 9 -5 -4 17373.4 704.349 7 9 5 -3 483.132 141.765 18 -9 5 3 513.027 130.006 17 9 -5 -3 388.953 129.225 7 9 -5 -2 3857.72 311.803 9 9 5 -2 4238.60 355.993 18 -9 5 2 3795.14 306.642 17 9 -5 -2 4576.73 376.929 7 9 -5 -1 4148.89 330.940 9 9 5 -1 4914.39 373.541 18 9 5 -1 4433.01 297.423 4 -9 5 1 3851.04 298.036 17 9 -5 -1 4409.08 355.536 7 9 -5 0 3694.31 313.269 9 9 5 0 3819.62 317.947 18 9 -5 0 3168.86 251.042 3 9 5 0 3918.22 288.595 4 9 -5 0 3859.56 320.516 7 9 -5 1 8869.45 472.747 9 9 5 1 8641.95 459.680 18 9 5 1 9157.22 433.851 4 9 -5 1 8823.23 442.714 7 9 -5 2 3708.21 299.513 9 9 5 2 3275.87 265.417 18 9 5 2 3570.57 267.280 4 9 -5 2 3370.29 242.252 7 9 -5 3 9917.53 434.357 9 9 5 3 9912.30 413.540 4 9 -5 4 766.805 112.228 9 9 5 4 806.491 105.743 4 9 -5 5 2760.44 176.631 3 9 5 5 3091.49 168.911 4 9 6 -11 476.096 75.7178 16 -9 -6 11 710.619 92.9002 13 -9 6 10 122.673 43.8643 6 -9 -6 10 83.3322 38.8742 13 -9 6 9 2857.09 219.049 17 -9 -6 9 2987.66 237.473 13 -9 6 8 12.9586 65.7886 17 -9 -6 8 2.63770 61.4393 13 -9 6 7 2383.51 227.355 17 9 -6 -7 2255.00 203.566 7 -9 -6 7 2272.25 230.919 13 9 6 -6 156.726 74.0609 18 -9 6 6 284.894 99.9549 17 9 -6 -6 286.363 96.6352 7 -9 -6 6 378.155 112.931 13 9 6 -5 1946.18 226.519 18 -9 6 5 2168.98 232.131 17 9 -6 -5 2424.05 245.983 7 -9 -6 5 2014.97 234.089 13 9 6 -4 5288.79 381.105 18 -9 6 4 5545.63 359.998 17 9 -6 -4 6034.48 397.134 7 9 6 -3-31.3513 93.2798 18 -9 6 3 33.1274 75.9478 17 9 -6 -3 62.3747 82.0950 7 9 -6 -2 315.768 88.2671 9 9 6 -2 513.298 124.395 18 -9 6 2 433.891 108.270 17 9 -6 -2 491.906 136.113 7 9 -6 -1-30.2497 56.3610 9 9 6 -1-5.55127 69.2162 18 -9 6 1-28.6981 61.6756 17 9 -6 -1 73.5883 75.1189 7 9 -6 0 231.111 81.1691 9 9 6 0 123.185 66.3078 18 -9 6 0 320.394 81.7890 17 9 -6 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141.191 17 9 -7 0 2218.72 185.962 7 9 -7 1 3110.91 191.135 9 9 7 1 2994.89 200.930 18 9 -7 1 3373.58 198.013 7 9 7 2 187.118 43.5771 18 -9 8 5 115.196 42.4009 17 -9 8 4 331.509 64.5741 17 -9 8 3 351.712 62.8877 17 9 -8 -3 596.897 85.7638 7 9 -8 -2 257.175 60.1229 7 -10 0 15-31.2916 25.0334 12 -10 0 14 4686.60 228.634 12 -10 0 13 49.6049 58.2571 12 -10 0 13-9.66632 36.9076 6 -10 0 12 6963.34 352.972 12 -10 0 12 6229.65 319.117 6 -10 0 11-111.219 50.1327 6 10 0 -11 68.9857 58.9999 7 10 0 -10 4121.37 308.320 7 -10 0 10 4166.48 285.147 6 -10 0 9 66.7518 65.7729 6 10 0 -9 74.8728 72.5227 7 10 0 -8 6999.60 412.352 7 -10 0 8 6790.92 366.041 6 10 0 -7-53.1213 62.0322 3 10 0 -7 84.4046 68.9906 7 -10 0 6 106.891 137.763 21 10 0 -6 313.703 92.2242 3 10 0 -6 208.028 119.793 7 -10 0 5 56.9299 153.425 21 10 0 -5 63.6722 55.1083 3 10 0 -5 1.10255 61.2842 7 -10 0 4 19024.7 1487.05 21 10 0 -4 19136.2 624.410 3 10 0 -4 18725.4 688.609 7 10 0 -3 53.2844 47.3392 3 10 0 -3 56.6747 52.1341 7 -10 0 2 16245.6 1345.99 21 10 0 -2 17414.5 639.390 3 10 0 -2 17394.7 625.829 7 -10 0 1-226.985 181.384 21 10 0 -1 12.3889 66.1258 3 10 0 0 3898.58 324.652 3 10 0 1 67.1754 70.8199 3 10 0 1-25.4079 62.7347 4 10 0 2 1423.59 198.821 3 10 0 2 1291.24 167.670 4 10 0 3 96.9029 72.5622 3 10 0 3 108.571 68.8967 4 10 0 4 4159.65 280.456 3 10 0 4 4430.40 280.945 4 10 0 5 9.90642 31.4765 3 10 0 5 4.52504 42.7438 4 10 0 6 2734.50 151.937 3 10 0 6 3447.81 195.507 4 10 0 7-3.28922 22.5638 4 -10 1 14 2995.91 178.469 12 -10 -1 14 3069.74 180.184 12 -10 1 14 2989.20 176.573 6 -10 1 13 147.758 59.2787 6 -10 1 13 254.840 70.7612 12 -10 -1 13 237.128 68.4109 12 -10 1 12 3690.53 252.018 12 -10 -1 12 3366.74 226.350 6 -10 1 12 3843.44 255.379 6 -10 -1 11 26.2172 40.3070 6 -10 1 11-17.6710 51.7401 6 10 -1 -11 87.4568 69.2770 7 -10 1 11-13.4140 59.5334 12 10 1 -10 1353.23 188.320 7 10 -1 -10 1290.31 174.089 7 -10 -1 10 1458.50 166.088 6 -10 1 10 1289.61 166.052 6 -10 1 9 438.985 101.752 6 10 1 -9 312.183 104.768 7 10 -1 -9 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196.736 7 10 1 0 11417.9 542.206 3 10 1 0 9711.37 459.355 18 10 -1 0 10496.0 533.618 3 10 1 0 10947.3 460.214 4 10 1 1 996.297 152.946 4 10 1 1 828.333 160.777 3 10 -1 1 792.394 162.490 3 10 1 2 3960.87 307.953 3 10 -1 2 4414.46 345.380 3 10 1 2 4245.30 299.651 4 10 -1 2 3589.67 263.839 4 10 1 3 968.124 147.565 3 10 1 3 956.400 146.488 4 10 -1 3 957.234 136.459 4 10 -1 3 930.822 166.891 3 10 1 4 113.887 54.0208 3 10 -1 4 100.117 76.6445 3 10 1 4 97.8996 58.3421 4 10 -1 4 80.8514 50.5448 4 10 1 5 204.311 51.2296 3 10 -1 5 213.604 68.2123 3 10 1 5 188.883 62.7285 4 10 -1 5 234.274 67.6205 4 10 -1 6 1144.86 109.728 3 10 1 6 1284.36 121.784 4 10 -1 6 1135.44 112.234 4 10 1 7 85.7214 30.9793 4 -10 -2 14 4410.22 191.852 12 -10 2 14 4331.67 201.333 6 -10 2 13 599.107 94.6942 6 -10 2 13 638.630 92.9852 12 -10 -2 13 552.053 91.8603 12 -10 -2 12 3372.82 198.780 10 -10 2 12 3422.26 228.322 12 -10 2 12 3764.16 249.725 6 -10 2 11 180.255 82.2895 6 10 -2 -11 171.857 68.5478 7 -10 -2 11 134.978 64.2559 13 -10 2 11 227.965 71.3306 12 10 -2 -10 1586.60 183.462 7 -10 2 10 1609.39 180.110 12 -10 2 10 1709.73 192.410 6 10 2 -9 4895.53 355.568 7 10 -2 -9 4821.10 336.135 7 10 2 -8 178.264 110.297 7 10 -2 -8 148.416 85.9209 7 -10 2 7 18.7793 70.2851 17 10 2 -7 126.537 76.4376 7 10 -2 -7 132.206 82.3717 7 10 2 -6 13064.2 528.808 3 -10 2 6 13982.2 606.160 17 10 2 -6 13449.4 611.213 7 10 -2 -6 14182.8 615.572 7 10 2 -5 949.878 147.589 3 -10 2 5 920.264 155.429 17 10 2 -5 943.432 176.587 7 10 -2 -5 1041.63 182.214 7 -10 -2 4 3084.85 592.442 21 -10 2 4 4230.23 796.453 21 10 2 -4 3298.49 270.212 3 10 -2 -4 2966.89 240.238 3 10 2 -4 3185.68 286.640 7 10 -2 -4 3111.02 298.377 7 -10 -2 3 5213.30 740.159 21 10 2 -3 5995.46 371.200 3 10 -2 -3 5735.71 350.067 3 10 2 -3 5867.03 370.474 7 10 -2 -3 5850.59 407.274 7 10 2 -2 19397.2 673.041 3 10 -2 -2 18259.6 653.909 3 10 2 -2 18700.8 557.196 4 10 -2 -2 18066.7 696.174 7 10 2 -1 823.341 147.695 18 10 2 -1 590.619 125.661 3 10 -2 -1 635.396 132.504 7 10 -2 -1 806.763 161.787 3 10 2 -1 644.299 112.352 4 10 2 0 2930.72 269.807 3 10 2 0 2567.94 246.473 18 10 -2 0 2622.08 269.602 3 10 2 0 2691.77 234.194 4 10 -2 0 2608.73 231.485 7 10 2 1 170.056 78.7020 18 10 2 1 238.112 98.6253 3 10 -2 1 263.490 104.847 3 10 2 1 112.441 78.7051 4 10 2 2 919.368 144.508 3 10 2 2 926.547 148.593 4 10 -2 2 1004.05 174.141 3 10 2 3 2995.06 228.656 3 10 -2 3 3412.92 287.541 3 10 2 3 3154.89 250.748 4 10 -2 3 2767.43 213.898 4 10 -2 4 4225.99 291.493 3 10 2 4 4152.14 268.613 4 10 -2 4 3669.61 233.880 4 10 -2 5-54.6000 45.5791 3 10 2 5 13.8154 42.7715 4 10 -2 5 32.1620 35.7632 4 10 -2 6 2944.91 171.676 3 10 2 6 3376.82 181.102 4 10 -2 6 2876.66 157.334 4 -10 3 14 1545.74 105.928 6 -10 3 13 447.191 75.4916 6 -10 -3 13 413.621 59.4208 10 -10 -3 13 372.341 64.0760 12 -10 -3 12 1383.87 146.927 13 -10 3 12 1490.05 131.904 12 -10 3 12 1758.43 164.598 6 -10 -3 11 770.123 125.213 13 -10 3 11 949.324 118.313 12 -10 3 11 891.950 131.723 6 -10 3 10 182.436 79.7683 6 10 -3 -10 163.787 68.4083 7 -10 -3 10 79.3406 50.9589 13 -10 3 10 114.448 51.0387 12 10 3 -9 99.7830 79.2044 18 10 -3 -9-9.31830 45.8017 7 -10 3 8 6569.78 415.804 17 10 -3 -8 6241.60 379.956 7 -10 3 7 6038.39 400.298 17 10 -3 -7 5776.42 382.692 7 10 3 -6 836.874 161.291 7 -10 3 6 1107.79 186.415 17 10 -3 -6 1030.08 180.097 7 10 3 -5 316.064 105.647 7 -10 3 5 399.705 119.471 17 10 -3 -5 474.093 129.307 7 10 3 -4 18340.0 650.667 3 10 3 -4 18301.8 721.757 18 -10 3 4 17549.5 660.977 17 10 3 -4 17228.3 670.108 7 10 -3 -4 17854.7 729.607 7 10 3 -3 1016.46 178.397 18 10 3 -3 892.130 124.520 4 10 3 -3 949.593 155.157 3 10 -3 -3 732.346 123.840 3 10 -3 -3 729.236 157.447 7 10 3 -2 13628.8 565.023 3 10 -3 -2 12197.3 561.412 9 10 3 -2 12501.5 571.653 18 10 -3 -2 12578.0 529.542 3 10 3 -2 13107.7 482.312 4 10 -3 -2 12130.1 585.105 7 10 -3 -1 74.7894 80.6290 9 10 3 -1-73.2187 67.4344 18 10 3 -1 51.0284 66.0190 3 10 -3 -1 108.633 77.9480 3 10 -3 -1 87.5615 67.7636 7 10 3 -1 72.8743 54.9657 4 10 3 0 12825.2 532.740 3 10 -3 0 13885.4 607.430 9 10 3 0 11466.5 523.225 18 10 -3 0 12480.4 559.767 3 10 3 0 13463.6 522.731 4 10 -3 0 12722.9 538.043 7 10 3 1 2206.00 212.014 3 10 -3 1 2056.93 236.438 9 10 3 1 2473.58 231.827 18 10 -3 1 2105.53 241.927 3 10 3 1 2192.73 216.940 4 10 3 2 1087.09 138.159 3 10 3 2 811.717 135.731 4 10 -3 2 800.705 149.409 3 10 -3 3 226.843 92.2668 3 10 3 3 176.887 73.1272 4 10 -3 4 292.226 87.8941 3 10 3 4 218.480 65.7845 4 10 -3 4 234.118 61.7147 4 10 -3 5 2595.17 188.335 3 10 3 5 2601.12 175.930 4 10 -3 5 2229.32 141.180 4 10 -3 6 1061.88 96.3180 3 10 3 6 1214.00 95.3811 4 -10 4 13 99.5763 35.0468 6 -10 -4 12 4573.09 199.372 12 -10 4 12 4983.97 242.841 6 -10 -4 11 2267.93 201.381 13 -10 4 11 2951.85 211.977 6 -10 4 10 491.523 102.469 6 -10 -4 10 209.608 82.4116 13 -10 4 9 1137.28 168.488 17 10 -4 -9 1241.87 156.154 7 -10 -4 9 1154.33 168.266 13 10 4 -8 120.125 66.6785 18 -10 4 8 150.582 70.1767 17 10 -4 -8 155.259 73.5757 7 10 4 -7 5062.95 366.251 18 -10 4 7 4826.49 354.263 17 10 -4 -7 5168.30 355.964 7 10 4 -6 1420.06 204.833 18 -10 4 6 1379.11 183.404 17 10 -4 -6 1306.54 188.023 7 10 4 -5 1060.25 183.903 18 -10 4 5 1081.96 173.819 17 10 -4 -5 1207.24 200.776 7 10 4 -4 24802.7 842.377 18 -10 4 4 22121.7 747.437 17 10 -4 -4 23347.5 826.694 7 10 4 -3 1302.84 198.678 18 -10 4 3 1218.09 175.436 17 10 -4 -3 1360.57 213.604 7 10 -4 -2 87.2512 64.2387 9 10 4 -2 164.394 94.1530 18 10 4 -2 174.169 76.4622 4 10 -4 -2 151.989 99.0232 7 10 4 -1 188.699 75.2448 3 10 -4 -1 167.324 86.4744 9 10 4 -1 112.454 74.8512 18 10 -4 -1 276.285 100.177 3 10 4 -1 248.851 76.3287 4 10 -4 -1 243.478 105.413 7 10 4 0 4980.84 307.493 3 10 -4 0 5259.67 363.351 9 10 4 0 4820.55 335.131 18 10 -4 0 4585.19 318.706 3 10 4 0 5031.12 312.668 4 10 -4 0 5241.08 344.738 7 10 -4 1 590.985 131.584 9 10 4 1 576.145 117.618 18 10 -4 1 613.113 113.307 7 10 4 1 523.403 107.312 4 10 -4 1 517.905 113.461 3 10 -4 2 3939.59 287.789 9 10 4 2 3456.61 251.625 18 10 -4 2 3464.67 269.292 3 10 4 2 3591.57 261.429 4 10 -4 3 954.513 135.644 3 10 4 3 866.045 120.775 4 10 -4 4 28.4435 42.3293 3 10 4 4-33.7475 45.6635 4 10 -4 5 2381.63 156.767 3 10 4 5 2610.72 146.450 4 -10 5 12 59.9902 28.9015 6 -10 -5 12 52.7566 28.8679 10 -10 -5 12-8.18748 23.2432 13 -10 5 11 22.7762 43.5067 6 -10 -5 11-33.2899 36.2385 13 -10 -5 10 1608.65 171.887 13 -10 5 10 1736.83 157.927 6 -10 5 9 761.474 125.540 17 10 -5 -9 698.819 103.481 7 -10 -5 9 671.036 126.731 13 -10 5 8 988.403 154.972 17 10 -5 -8 1026.41 139.438 7 -10 -5 8 908.514 150.387 13 10 5 -7 110.205 65.5207 18 -10 5 7-64.2565 84.5708 17 10 -5 -7-25.6640 60.2182 7 10 5 -6 1146.02 171.670 18 -10 5 6 1272.11 177.728 17 10 -5 -6 1295.00 184.057 7 10 5 -5 3623.33 315.467 18 -10 5 5 3325.14 284.332 17 10 -5 -5 3453.95 304.948 7 10 5 -4 685.560 150.818 18 -10 5 4 473.234 117.544 17 10 -5 -4 815.480 169.244 7 10 5 -3 23.0748 85.8802 18 -10 5 3 18.0235 63.0929 17 10 -5 -3-30.9076 88.1266 7 10 -5 -2 8479.04 420.197 9 10 5 -2 10020.4 504.937 18 -10 5 2 8639.36 417.787 17 10 -5 -2 9452.64 501.221 7 10 -5 -1 833.990 142.721 9 10 5 -1 1011.73 158.856 18 10 -5 -1 896.972 159.088 7 10 -5 0 2534.92 236.097 9 10 5 0 2074.73 217.388 18 10 -5 0 2186.65 192.038 3 10 5 0 2815.24 226.097 4 10 -5 0 2289.70 219.749 7 10 -5 1 1287.15 166.624 9 10 5 1 1217.56 157.416 18 10 -5 1 1032.52 129.705 3 10 5 1 1039.68 138.438 4 10 -5 1 932.339 125.515 7 10 5 2 387.329 80.5831 18 10 5 2 473.300 89.9280 4 10 -5 2 471.678 88.4081 3 10 -5 3 3568.81 210.522 3 10 5 3 4076.31 217.343 4 10 -5 4 1103.66 100.007 3 10 5 4 1296.69 101.441 4 -10 -6 10 1346.24 126.568 13 -10 6 10 1704.38 124.436 6 -10 -6 9 1787.46 165.741 13 -10 6 9 1859.30 151.700 6 -10 6 8 14.9738 62.4542 17 10 -6 -8 72.0824 45.7642 7 -10 -6 8-24.0963 56.2295 13 -10 6 7 2690.50 222.745 17 10 -6 -7 2585.03 202.762 7 -10 -6 7 2679.59 230.397 13 10 6 -6 2881.99 238.902 18 -10 6 6 2671.78 228.546 17 10 -6 -6 2749.81 226.555 7 -10 -6 6 2752.12 243.779 13 10 6 -5 3437.67 280.555 18 -10 6 5 3579.71 267.624 17 10 -6 -5 4147.08 295.312 7 -10 -6 5 3743.56 280.635 13 10 6 -4 390.370 111.723 18 -10 6 4 262.253 83.5497 17 10 -6 -4 302.412 110.352 7 -10 -6 4 284.217 84.0013 13 10 6 -3 803.985 146.404 18 -10 6 3 680.069 121.896 17 10 -6 -3 594.094 123.319 7 10 6 -2 3738.55 286.666 18 -10 6 2 3054.12 223.215 17 10 -6 -2 3946.13 295.902 7 10 -6 -1 1928.35 177.081 9 10 6 -1 2171.05 211.071 18 10 -6 -1 2101.23 203.170 7 10 -6 0 290.571 73.6439 9 10 6 0 269.530 83.4967 18 10 -6 0 315.325 82.1185 7 10 6 1 150.864 52.2102 18 10 -6 1 401.105 69.7493 7 10 6 2-1.46173 44.1154 18 -10 7 7 429.084 74.5412 17 -10 7 6 432.440 79.1592 17 10 -7 -6 420.889 75.9135 7 10 7 -5-6.10252 34.9578 18 -10 7 5-4.84272 37.4699 17 10 -7 -5-34.2342 48.8697 7 10 7 -4 249.976 70.9647 18 -10 7 4 236.031 66.5835 17 10 -7 -4 324.074 78.2447 7 10 7 -3 915.936 128.361 18 -10 7 3 824.906 101.430 17 10 -7 -3 1062.26 130.529 7 10 7 -2 327.606 78.8973 18 -10 7 2 327.477 63.0803 17 10 -7 -2 514.456 97.1909 7 10 7 -1 250.611 59.4869 18 10 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1477.30 201.689 3 11 -1 -2 1316.90 186.948 3 11 -1 -2 1500.71 194.228 7 11 1 -1 1331.26 188.671 3 11 -1 -1 1261.51 189.355 3 11 1 -1 1477.98 180.783 18 11 1 0 121.890 75.3140 3 11 -1 0 171.166 100.362 3 11 1 0 124.400 66.3835 4 11 1 1 7471.63 416.131 3 11 -1 1 7982.10 450.796 3 11 1 1 8098.96 387.692 4 11 1 2 308.484 91.2906 3 11 -1 2 310.024 101.334 3 11 1 2 285.038 82.6450 4 11 1 3 10695.0 407.638 3 11 -1 3 11998.1 474.227 3 11 1 3 11888.4 425.185 4 11 -1 3 10629.4 378.459 4 11 1 4 383.717 67.0675 3 11 -1 4 357.159 80.5188 3 11 1 4 429.434 77.6178 4 11 -1 4 460.493 74.1298 4 11 -1 5 7096.98 255.725 3 11 1 5 7819.11 263.395 4 11 -1 5 7132.53 236.259 4 -11 2 14 47.4641 25.6712 6 -11 2 13 352.002 65.6993 6 -11 2 13 487.524 69.5066 12 -11 -2 13 369.855 66.3915 12 -11 2 12 91.2885 50.6275 6 -11 2 12 123.814 50.7977 12 11 -2 -11 5320.75 283.507 7 -11 -2 11 4626.61 271.601 13 -11 2 11 4777.92 262.491 12 -11 2 11 4876.03 283.678 6 -11 2 10 365.313 96.8991 6 11 -2 -10 492.366 102.395 7 -11 2 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31.4732 6 -11 -5 11 28.3970 27.2010 13 -11 5 10 18.3287 32.7320 6 -11 -5 10 25.2655 35.2297 13 11 -5 -9 420.461 76.3449 7 -11 -5 9 386.029 87.2105 13 11 5 -8 497.743 90.3561 18 -11 5 8 438.865 101.201 17 11 -5 -8 481.276 91.3817 7 -11 -5 8 500.243 111.215 13 11 5 -7 7.30102 52.6710 18 -11 5 7-25.9756 63.7425 17 11 -5 -7 102.987 69.2808 7 11 5 -6 48.6829 68.3708 18 -11 5 6 55.0373 57.6595 17 11 -5 -6 24.4444 56.6885 7 11 5 -5 144.094 76.2546 18 -11 5 5 88.2170 68.3631 17 11 -5 -5 123.543 83.0807 7 11 5 -4 2919.00 261.531 18 -11 5 4 2323.61 212.570 17 11 -5 -4 2768.90 257.355 7 11 5 -3 208.244 78.6229 18 11 -5 -3 221.016 84.5292 7 11 5 -2 3572.88 274.716 18 11 -5 -2 3381.21 266.095 7 11 5 -1 3198.12 247.865 18 11 -5 -1 3194.78 237.810 7 11 5 0 2257.37 187.937 18 11 -5 0 2308.57 175.891 7 11 -5 1 1882.85 139.817 3 11 5 1 2165.19 162.933 18 -11 -6 9 1325.75 122.085 13 -11 6 9 1479.69 113.010 6 11 -6 -8 109.390 40.2192 7 -11 -6 8 83.2543 46.0270 13 11 6 -7 1613.42 137.590 18 -11 6 7 1601.27 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63.0203 7 12 0 -2 10795.8 503.966 3 12 0 -1 30.7512 58.3960 3 12 0 0 2608.84 244.101 3 12 0 1 91.9807 73.3080 3 12 0 2 277.707 74.0684 3 12 0 3 12.8056 28.1766 3 12 0 3-21.3423 30.5338 4 -12 1 13 148.627 37.1085 12 -12 1 13 158.862 40.5447 6 -12 -1 13 190.451 49.3653 12 -12 1 12 2776.10 177.080 12 -12 -1 12 3160.59 197.841 12 -12 1 12 2828.33 175.094 6 -12 1 11 55.3562 35.8841 6 12 -1 -11 88.0849 52.0066 7 -12 1 11 64.5182 45.6732 12 12 1 -10 1572.44 182.890 7 12 -1 -10 1537.13 173.133 7 -12 1 10 1462.71 152.027 6 -12 1 9 31.7605 39.7065 6 12 1 -9 154.097 96.7468 7 12 -1 -9 122.716 81.3953 7 12 1 -8 2086.31 232.233 7 12 -1 -8 2068.50 231.639 7 12 1 -7 148.297 101.868 7 12 -1 -7 91.1466 75.1419 7 12 1 -6 2262.54 215.269 3 12 -1 -6 2349.22 205.906 3 12 1 -6 2048.56 231.688 7 12 -1 -6 2416.57 254.181 7 12 1 -5 592.183 118.452 3 12 -1 -5 466.230 98.7446 3 12 1 -5 368.912 100.223 7 12 -1 -5 586.385 129.070 7 12 1 -4 1354.50 175.364 3 12 -1 -4 1109.16 156.431 3 12 1 -4 1331.45 178.216 7 12 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141.333 7 12 -2 -8 704.443 139.754 7 -12 2 8 950.031 143.126 6 12 2 -7 404.250 120.650 7 12 -2 -7 486.430 124.893 7 12 2 -6 7.58912 56.3495 7 12 -2 -6 94.8441 94.0275 7 12 2 -5 1523.32 186.992 3 12 -2 -5 1603.85 164.541 3 12 2 -5 1760.53 204.852 7 12 -2 -5 1919.91 229.960 7 12 2 -4 5881.06 357.921 3 12 -2 -4 5066.88 309.569 3 12 2 -4 6373.19 387.993 18 12 2 -4 5319.63 328.422 7 12 -2 -4 5396.25 373.897 7 12 2 -3 448.235 109.589 18 12 2 -3 704.077 132.679 3 12 -2 -3 567.223 115.823 3 12 -2 -3 593.251 128.728 7 12 2 -2 3759.06 285.559 3 12 -2 -2 2912.47 249.468 3 12 2 -2 2901.29 246.622 18 12 -2 -2 3467.74 262.896 7 12 2 -1 50.4741 45.4270 18 12 2 -1-77.1796 73.7976 3 12 -2 -1-68.8896 69.1527 3 12 2 0 2355.06 207.893 3 12 -2 0 2123.66 211.523 3 12 2 0 2345.71 179.040 4 12 2 1 126.022 49.9160 3 12 -2 1 200.241 81.1577 3 12 2 1 138.013 46.3332 4 12 2 2 2402.97 159.261 3 12 -2 2 2792.46 208.185 3 12 2 2 2647.44 172.634 4 12 -2 3 460.661 77.4119 3 12 2 3 367.596 57.9205 4 -12 -3 12 862.891 87.6338 12 -12 3 12 818.575 86.0446 6 -12 3 11-13.9831 32.2558 6 12 -3 -11 3.51042 32.6238 7 -12 -3 11-39.0471 34.2878 13 12 3 -10 1689.11 153.528 18 12 -3 -10 1840.04 164.036 7 -12 -3 10 1521.46 156.545 13 -12 3 10 1711.05 157.086 6 -12 3 9 149.320 62.5113 6 12 3 -9 86.3163 62.0899 18 12 -3 -9 71.1714 55.8818 7 12 3 -8 396.489 104.458 18 12 -3 -8 523.665 116.633 7 12 3 -7 19.2068 79.8239 18 12 -3 -7-94.4586 97.5333 7 12 3 -6 314.321 111.464 18 12 -3 -6 351.605 102.151 7 12 3 -5 55.2808 66.6589 18 12 -3 -5 87.6768 96.2527 7 12 3 -4 5553.52 354.728 18 12 -3 -4 5555.91 375.676 7 12 3 -3 746.751 131.463 3 12 3 -3 580.282 124.434 18 12 -3 -3 449.476 88.8663 3 12 -3 -3 593.973 123.953 7 12 3 -2 1569.00 178.977 3 12 -3 -2 1621.12 172.947 3 12 3 -2 1925.23 195.458 18 12 -3 -2 1979.39 202.266 7 12 3 -1 308.007 83.0258 18 12 3 -1 386.089 90.3748 3 12 -3 -1 331.751 88.9610 3 12 -3 -1 402.959 86.1190 7 12 3 -1 438.935 74.7713 4 12 3 0 6769.82 314.568 3 12 -3 0 6012.87 322.261 3 12 3 0 6561.10 290.261 4 12 -3 1 275.215 73.5940 3 12 3 1 246.055 55.8625 4 12 -3 2 778.447 102.539 3 12 3 2 738.798 85.5075 4 12 -3 3 632.069 75.9937 3 -12 4 11 25.2936 26.0712 6 -12 -4 11-25.5019 25.7531 13 12 -4 -10 921.986 99.7124 7 -12 -4 10 855.022 112.503 13 -12 4 10 951.960 107.836 6 12 4 -9 594.641 93.1328 18 12 -4 -9 646.509 102.407 7 -12 -4 9 675.444 109.340 13 -12 4 9 846.010 111.938 6 12 4 -8 355.802 89.3734 18 12 -4 -8 580.491 108.232 7 12 4 -7 1581.66 185.247 18 12 -4 -7 1682.73 187.922 7 12 4 -6 1078.56 160.984 18 -12 4 6 947.282 137.623 17 12 -4 -6 965.611 152.189 7 12 4 -5 2322.52 228.759 18 12 -4 -5 2263.03 232.458 7 12 4 -4 589.569 120.657 18 12 -4 -4 493.221 125.497 7 12 4 -3 748.456 129.473 18 12 -4 -3 767.456 137.006 7 12 4 -2 2438.00 211.286 18 12 -4 -2 2438.42 206.996 7 12 4 -1 38.6573 44.0424 18 12 -4 -1 117.134 45.9565 3 12 -4 -1 180.240 51.3721 7 12 -4 0 2651.47 180.709 3 12 4 0 3017.96 194.665 18 12 -4 1 363.414 64.8382 3 -12 5 10 404.098 59.0696 6 -12 -5 10 388.411 64.5782 13 -12 5 9-33.6563 32.0270 6 12 -5 -9 61.3664 37.4531 7 -12 -5 9 101.224 45.6968 13 12 5 -8 25.9760 32.2036 18 12 -5 -8-35.3007 38.5630 7 -12 -5 8 4.48549 38.9026 13 12 5 -7 158.555 62.1522 18 12 -5 -7 65.4529 44.9567 7 -12 -5 7 28.5991 49.7923 13 12 5 -6 69.6165 55.3218 18 12 -5 -6 215.872 71.1461 7 12 5 -5 828.209 126.065 18 -12 5 5 544.654 91.1034 17 12 -5 -5 768.751 125.774 7 12 5 -4 939.263 136.245 18 12 -5 -4 1078.07 141.033 7 12 5 -3 65.0965 55.8672 18 12 -5 -3 159.377 67.7523 7 12 5 -2 2460.00 190.945 18 12 -5 -2 2294.89 176.256 7 12 5 -1 232.734 60.4544 18 12 -5 -1 317.333 57.5227 7 12 -6 -6 22.6914 31.6443 7 12 6 -5 611.487 84.2345 18 12 -6 -5 560.636 84.2921 7 12 6 -4 1050.38 113.564 18 12 -6 -4 844.670 97.7072 7 12 6 -3 503.187 76.0264 18 12 -6 -3 517.951 74.3331 7 -13 0 12 17.7632 23.9212 12 -13 0 11 350.012 68.6526 12 13 0 -10 15.6389 49.0130 7 13 0 -9 1433.84 171.129 7 13 0 -8 92.9791 69.0539 7 13 0 -7 11292.3 502.624 7 13 0 -6 62.1765 50.0068 3 13 0 -6 43.8559 76.8131 7 13 0 -5 11488.8 458.766 3 13 0 -5 11372.0 485.558 7 13 0 -4 13.2383 54.5985 3 13 0 -4-7.86519 42.5630 7 13 0 -3 3206.69 255.385 3 13 0 -3 2776.95 217.901 18 13 0 -2 41.5928 60.6184 3 13 0 -1 2831.00 228.910 3 13 0 0 64.9932 52.1318 3 13 0 1-69.1988 42.0155 3 13 0 2 2.45961 21.4851 3 -13 -1 12 914.449 89.9620 12 13 -1 -11 114.669 51.9277 7 -13 1 11 159.706 44.5259 12 13 -1 -10 40.7633 45.3419 7 -13 1 10 100.575 43.7741 12 13 1 -9 145.148 73.2230 7 13 -1 -9 81.5532 62.0717 7 -13 1 9 80.6701 36.3903 12 13 1 -8 37.5413 60.9448 7 13 -1 -8 12.7727 58.6085 7 13 1 -7 141.220 79.2952 7 13 -1 -7 178.326 84.9420 7 13 -1 -6 150.147 61.2219 3 13 1 -6-11.7368 64.1155 7 13 -1 -6-46.1630 68.0154 7 13 1 -5 28.9528 45.9554 3 13 -1 -5 12.4314 43.8504 3 13 1 -5-52.5688 66.6197 7 13 -1 -5 52.4486 53.7399 7 13 1 -4 90.2228 53.7480 18 13 1 -4 130.015 60.9961 3 13 -1 -4 131.677 48.7357 3 13 1 -4 175.379 59.7785 7 13 -1 -4 51.8423 51.0394 7 13 1 -3 614.523 109.481 18 13 1 -3 767.116 134.285 3 13 -1 -3 695.420 121.554 3 13 -1 -3 731.743 116.789 7 13 1 -2 735.961 105.345 18 13 1 -2 803.021 132.586 3 13 -1 -2 775.227 129.993 3 13 1 -1 48.4404 47.7960 3 13 -1 -1 15.8589 50.2366 3 13 1 0-1.01533 44.2016 3 13 -1 0 86.2471 61.9922 3 13 1 1 890.138 101.364 3 13 -1 1 1181.98 124.933 3 13 -1 2 274.134 54.5894 3 -13 -2 12 119.348 38.6952 12 -13 2 11-3.05004 28.2431 6 13 2 -11 21.5802 25.3964 18 -13 2 10 192.044 50.0043 6 13 2 -10 100.688 52.2843 18 13 -2 -10 143.137 51.6409 7 -13 -2 10 139.291 45.5454 13 13 2 -9 2668.58 227.340 18 13 -2 -9 2935.30 224.727 7 -13 2 9 2722.85 177.775 6 13 2 -8 827.992 138.045 18 13 -2 -8 723.478 129.290 7 13 2 -7 5442.91 338.646 18 13 -2 -7 5194.62 333.686 7 13 2 -6 89.3635 56.3636 18 13 -2 -6 93.3994 73.6530 7 13 -2 -5 6682.79 299.411 3 13 2 -5 7407.60 394.888 18 13 -2 -5 7811.68 409.195 7 13 2 -4 216.386 67.1860 3 13 -2 -4 119.697 47.9255 3 13 -2 -4 208.331 78.9012 7 13 -2 -3 4877.91 280.638 3 13 2 -3 5292.04 302.823 18 13 -2 -3 5219.40 295.997 7 13 2 -2-16.0902 35.2575 18 13 2 -2 62.0530 58.1901 3 13 -2 -2 41.3659 48.9888 3 13 2 -1-13.2961 31.9241 18 13 -2 -1 70.1223 43.6080 3 13 2 0 20.8554 31.6057 3 13 -2 0 41.9668 43.3662 3 13 2 1 411.354 58.8550 3 13 -2 1 462.910 79.2055 3 13 -2 2 59.7620 29.5982 3 -13 3 10 164.678 47.2281 6 13 3 -10 19.1844 39.7155 18 13 -3 -10 145.010 49.1696 7 -13 -3 10 129.241 44.0162 13 -13 3 9 473.311 77.9123 6 13 3 -9 559.232 95.4402 18 13 -3 -9 415.661 84.3301 7 -13 3 8 56.9221 40.5050 6 13 3 -8-5.04409 52.2854 18 13 -3 -8 40.7117 55.0505 7 13 3 -7 58.4362 55.9708 18 13 -3 -7 27.9730 54.9379 7 13 3 -6 53.0340 47.8301 18 13 -3 -6 17.3398 57.8452 7 13 3 -5 150.691 76.4513 18 13 -3 -5 13.9163 55.7115 7 13 3 -4 49.4015 51.4927 18 13 -3 -4 103.075 54.4082 7 13 3 -3 5.42187 44.1427 18 13 -3 -3 44.4372 34.5063 3 13 -3 -3 100.298 45.6569 7 13 3 -2 710.341 105.415 18 13 -3 -2 509.645 85.5846 3 13 -3 -2 563.056 84.7113 7 13 3 -1 114.134 48.9561 18 13 -3 -1 45.3468 37.4268 3 13 -3 0 1543.91 127.160 3 13 -4 -9 707.899 87.7799 7 -13 -4 9 828.183 102.121 13 -13 4 9 943.611 92.8610 6 -13 4 8 211.729 51.7093 6 13 4 -8 321.730 68.5198 18 13 -4 -8 231.009 61.8353 7 -13 -4 8 243.553 66.9917 13 13 4 -7 2355.70 195.458 18 13 -4 -7 2435.26 192.516 7 13 4 -6 117.343 61.9821 18 13 -4 -6 251.545 72.8027 7 13 4 -5 2549.30 205.699 18 13 -4 -5 2642.60 208.708 7 13 4 -4 143.244 67.0280 18 13 -4 -4 70.0559 46.9175 7 13 4 -3 1243.50 130.656 18 13 -4 -3 1387.88 135.834 7 13 4 -2 315.011 67.2438 18 13 -4 -2 310.251 57.1755 7 13 -5 -7 86.0245 38.2653 7 -13 -5 7 27.6500 28.5874 13 13 5 -6 52.2446 34.2633 18 13 -5 -6-32.8751 35.2322 7 -13 -5 6 56.1080 38.3032 13 13 5 -5-46.4030 36.1610 18 13 -5 -5 49.6947 38.5958 7 -13 -5 5 39.4920 31.2901 13 13 5 -4 118.212 46.5705 18 13 -5 -4 131.828 43.4467 7 13 5 -3-39.2216 35.8330 18 -14 0 10 3747.83 168.174 12 14 0 -9 25.6308 44.8179 7 14 0 -8 1098.57 136.710 7 14 0 -7 5.71913 43.1206 7 14 0 -6 707.955 113.273 7 14 0 -5 10.2542 42.2666 3 14 0 -5 46.2511 47.6767 18 14 0 -5-40.3333 38.4882 7 14 0 -4 813.968 103.292 18 14 0 -4 686.378 105.517 3 14 0 -3-28.2070 46.3603 3 14 0 -2 873.317 113.171 3 14 0 -1-8.84626 30.2452 3 14 0 0 1348.77 108.727 3 14 1 -10 989.967 109.826 18 14 -1 -10 1051.23 116.288 7 14 1 -9 116.244 48.6891 18 14 -1 -9 129.317 57.3319 7 14 1 -8 893.516 126.310 18 14 -1 -8 852.581 125.033 7 14 1 -7-115.139 60.0166 18 14 1 -7 12.9374 44.8921 7 14 -1 -7-33.8675 44.8891 7 14 1 -6 232.746 68.9410 18 14 1 -6 137.862 53.0515 7 14 -1 -6 291.620 82.9520 7 14 1 -5 232.539 68.0155 18 14 -1 -5 249.265 65.7163 3 14 -1 -5 284.405 73.3050 7 14 1 -4 1231.90 143.768 3 14 -1 -4 1056.24 118.524 3 14 1 -4 1119.46 127.280 18 14 -1 -4 1138.89 116.187 18 14 -1 -4 1048.79 114.334 7 14 1 -3 259.477 55.3778 18 14 1 -3 250.211 74.1062 3 14 -1 -3 142.498 50.0517 3 14 1 -2 672.644 97.0466 3 14 -1 -2 635.361 94.2072 3 14 1 -1 352.272 66.1822 3 14 -1 -1 372.531 69.4925 3 14 -1 0 1980.12 129.178 3 14 2 -10 599.972 76.7023 18 14 -2 -10 666.899 82.9396 7 14 2 -9 411.746 79.4043 18 14 -2 -9 392.387 75.3990 7 14 2 -8 1973.66 176.590 18 14 -2 -8 2137.18 178.034 7 14 2 -7 16.4482 41.3290 18 14 -2 -7-22.2694 51.3595 7 14 2 -6 28.6200 53.4601 18 14 -2 -6 62.1007 51.8006 7 14 2 -5 619.154 99.0745 18 14 -2 -5 484.964 89.8094 7 14 -2 -4 32.9927 29.0086 3 14 -2 -4 1.49326 26.9486 7 14 2 -3 70.7203 37.6124 18 14 -2 -3 188.437 51.6249 3 14 -2 -2 1501.67 122.349 3 14 -2 -1 111.436 35.6984 3 14 -3 -9 153.748 46.2522 7 14 3 -8 378.629 70.7873 18 14 -3 -8 457.808 81.0100 7 14 3 -7 54.1618 44.2991 18 14 -3 -7 21.9572 41.3318 7 14 3 -6 683.886 99.7223 18 14 -3 -6 644.514 97.6756 7 14 3 -5 148.965 55.5522 18 14 -3 -5 111.393 47.1871 7 14 3 -4 21.8523 36.8649 18 14 -3 -4-0.28092 22.7024 7 14 3 -3-1.94777 25.4533 18 14 4 -6 86.9601 35.3069 18 14 4 -5 362.111 62.6297 18 15 0 -8-39.6033 35.7130 18 15 0 -7 916.616 100.746 18 15 0 -6 20.8080 31.1407 18 15 1 -8-12.7548 30.6367 18 15 -1 -8-11.2368 23.1049 7 15 1 -7-4.86529 30.3172 18 15 -1 -7 52.6773 33.6073 7 15 1 -6 80.9235 37.5368 18 0 0 0 0.00 0.00 0 TITL ks1410 in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 1.54184 12.261687 8.022229 12.739740 90.0000 112.3804 90.0000 ZERR 4.00 0.000680 0.000355 0.000683 0.0000 0.0063 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H N S Br UNIT 40.00 40.00 8.00 4.00 4.00 TREF HKLF 4 END ; _shelx_hkl_checksum 98565 _shelx_res_file ; TITL ks1410 in P2(1)/n CELL 1.54184 12.2617 8.0222 12.7397 90.000 112.380 90.000 ZERR 4.00 0.0007 0.0004 0.0007 0.000 0.006 0.000 LATT 1 SYMM 1/2 - X, 1/2 + Y, 1/2 - Z SFAC C H N S BR UNIT 40 52 8 4 4 MERG 2 FMAP 2 PLAN 10 SIZE 0.049 0.123 0.216 ACTA BOND $H mpla c1 c2 c3 c4 c5 c6 c7 br1 mpla n1 n2 c8 s1 c9 c10 eqiv $1 -x+1/2, y-1/2, -z+1/2 htab n1 s1_$1 L.S. 4 TEMP 23.00 WGHT 0.072000 0.305600 FVAR 4.79329 MOLE 1 BR1 5 0.260647 0.229093 0.480479 11.00000 0.06681 0.07162 = 0.04724 -0.00997 0.01142 -0.01503 S1 4 0.184124 0.225400 0.067949 11.00000 0.05802 0.05118 = 0.03510 0.00142 0.01316 -0.00070 C2 1 0.125033 0.140468 0.364514 11.00000 0.04948 0.04646 = 0.03794 -0.00018 0.01391 -0.00327 N1 3 0.246172 0.053336 0.261696 11.00000 0.04141 0.06296 = 0.03983 0.01071 0.01656 0.00767 AFIX 43 H1 2 0.298102 -0.004324 0.313932 11.00000 -1.20000 AFIX 0 C1 1 0.133966 0.069870 0.268649 11.00000 0.04195 0.04712 = 0.03802 0.00490 0.01788 0.00359 N2 3 0.392996 0.096119 0.197092 11.00000 0.04600 0.06093 = 0.05015 0.00273 0.02263 -0.00493 C8 1 0.279412 0.119696 0.180617 11.00000 0.04584 0.04526 = 0.03598 -0.00575 0.01612 -0.00406 C6 1 0.032930 0.005789 0.186074 11.00000 0.04941 0.05446 = 0.03720 -0.00243 0.01546 0.00156 AFIX 43 H6 2 0.037201 -0.043764 0.121753 11.00000 -1.20000 AFIX 0 C10 1 0.438213 0.147551 0.111493 11.00000 0.06524 0.08114 = 0.06622 -0.00035 0.04078 -0.00966 AFIX 137 H10A 2 0.385041 0.111309 0.037987 11.00000 -1.50000 H10B 2 0.514368 0.098404 0.128140 11.00000 -1.50000 H10C 2 0.444991 0.266794 0.112009 11.00000 -1.50000 AFIX 0 C5 1 -0.074316 0.014573 0.198078 11.00000 0.04054 0.05620 = 0.04743 0.00272 0.01172 0.00032 AFIX 43 H5 2 -0.141367 -0.028732 0.141501 11.00000 -1.20000 AFIX 0 C3 1 0.017606 0.148161 0.377120 11.00000 0.06266 0.05469 = 0.04864 -0.00374 0.03108 0.00315 AFIX 43 H3 2 0.013708 0.194768 0.442442 11.00000 -1.20000 AFIX 0 C4 1 -0.083407 0.087272 0.293593 11.00000 0.04753 0.05499 = 0.05492 0.00749 0.02485 0.00597 C9 1 0.479140 0.027578 0.301606 11.00000 0.04363 0.07434 = 0.06384 0.00837 0.01776 -0.00323 AFIX 137 H9A 2 0.467022 0.074974 0.365513 11.00000 -1.50000 H9B 2 0.557250 0.053806 0.306293 11.00000 -1.50000 H9C 2 0.469945 -0.091238 0.301923 11.00000 -1.50000 AFIX 0 C7 1 -0.201499 0.097001 0.305657 11.00000 0.05657 0.09144 = 0.09050 -0.00035 0.04123 0.00304 AFIX 137 H7A 2 -0.191051 0.073409 0.382774 11.00000 -1.50000 H7B 2 -0.254533 0.016862 0.256155 11.00000 -1.50000 H7C 2 -0.233733 0.206897 0.285686 11.00000 -1.50000 AFIX 0 HKLF 4 REM ks1410 in P2(1)/n REM R1 = 0.0377 for 2035 Fo > 4sig(Fo) and 0.0435 for all 2318 data REM 130 parameters refined using 0 restraints END WGHT 0.0720 0.3056 REM Highest difference peak 0.543, deepest hole -0.640, 1-sigma level 0.073 Q1 1 0.1634 0.2948 0.0202 11.00000 0.05 0.54 Q2 1 0.2705 0.1241 0.5207 11.00000 0.05 0.49 Q3 1 0.2457 0.1303 0.4292 11.00000 0.05 0.35 Q4 1 0.2240 0.2835 0.4116 11.00000 0.05 0.32 Q5 1 0.2799 0.3379 0.5188 11.00000 0.05 0.31 Q6 1 0.2616 0.1020 0.2269 11.00000 0.05 0.28 Q7 1 0.1403 0.1012 0.3234 11.00000 0.05 0.28 Q8 1 0.2337 0.1755 0.1384 11.00000 0.05 0.27 Q9 1 0.5142 0.2240 0.1563 11.00000 0.05 0.25 Q10 1 -0.0763 0.0961 0.2461 11.00000 0.05 0.24 ; _shelx_res_checksum 5332 _shelxl_version_number .2013 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 Br Br1 0.26065(3) 0.22909(5) 0.48048(3) 0.06494(17) Uani d 1 S S1 0.18412(6) 0.22540(8) 0.06795(5) 0.0495(2) Uani d 1 C C2 0.1250(2) 0.1405(3) 0.3645(2) 0.0454(5) Uani d 1 N N1 0.24617(18) 0.0533(3) 0.26170(17) 0.0477(5) Uani d 1 H H1 0.2981 -0.0043 0.3139 0.057 Uiso calc 1 C C1 0.1340(2) 0.0699(3) 0.26865(19) 0.0416(5) Uani d 1 N N2 0.3930(2) 0.0961(3) 0.19709(19) 0.0511(5) Uani d 1 C C8 0.2794(2) 0.1197(3) 0.18062(19) 0.0422(5) Uani d 1 C C6 0.0329(2) 0.0058(3) 0.1861(2) 0.0473(6) Uani d 1 H H6 0.0372 -0.0438 0.1218 0.057 Uiso calc 1 C C10 0.4382(3) 0.1476(5) 0.1115(3) 0.0662(8) Uani d 1 H H10A 0.3850 0.1113 0.0380 0.099 Uiso calc 1 H H10B 0.5144 0.0984 0.1281 0.099 Uiso calc 1 H H10C 0.4450 0.2668 0.1120 0.099 Uiso calc 1 C C5 -0.0743(2) 0.0146(4) 0.1981(2) 0.0495(6) Uani d 1 H H5 -0.1414 -0.0287 0.1415 0.059 Uiso calc 1 C C3 0.0176(3) 0.1482(4) 0.3771(2) 0.0524(6) Uani d 1 H H3 0.0137 0.1948 0.4424 0.063 Uiso calc 1 C C4 -0.0834(2) 0.0873(4) 0.2936(2) 0.0509(6) Uani d 1 C C9 0.4791(2) 0.0276(4) 0.3016(3) 0.0614(7) Uani d 1 H H9A 0.4670 0.0750 0.3655 0.092 Uiso calc 1 H H9B 0.5573 0.0538 0.3063 0.092 Uiso calc 1 H H9C 0.4699 -0.0912 0.3019 0.092 Uiso calc 1 C C7 -0.2015(3) 0.0970(5) 0.3057(4) 0.0756(9) Uani d 1 H H7A -0.1911 0.0734 0.3828 0.113 Uiso calc 1 H H7B -0.2545 0.0169 0.2562 0.113 Uiso calc 1 H H7C -0.2337 0.2069 0.2857 0.113 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 Br1 0.0668(3) 0.0716(3) 0.0472(2) -0.01503(14) 0.01142(17) -0.00997(12) S1 0.0580(4) 0.0512(4) 0.0351(3) -0.0007(3) 0.0132(3) 0.0014(2) C2 0.0495(13) 0.0465(13) 0.0379(11) -0.0033(10) 0.0139(10) -0.0002(9) N1 0.0414(10) 0.0630(13) 0.0398(10) 0.0077(9) 0.0166(9) 0.0107(9) C1 0.0420(11) 0.0471(12) 0.0380(11) 0.0036(9) 0.0179(9) 0.0049(9) N2 0.0460(11) 0.0609(13) 0.0501(11) -0.0049(10) 0.0226(9) 0.0027(10) C8 0.0458(12) 0.0453(12) 0.0360(11) -0.0041(9) 0.0161(9) -0.0058(9) C6 0.0494(13) 0.0545(14) 0.0372(11) 0.0016(11) 0.0155(10) -0.0024(10) C10 0.0652(17) 0.081(2) 0.0662(18) -0.0097(16) 0.0408(15) -0.0004(16) C5 0.0405(12) 0.0562(14) 0.0474(13) 0.0003(10) 0.0117(10) 0.0027(11) C3 0.0627(15) 0.0547(15) 0.0486(13) 0.0032(12) 0.0311(12) -0.0037(11) C4 0.0475(13) 0.0550(15) 0.0549(14) 0.0060(11) 0.0248(11) 0.0075(11) C9 0.0436(13) 0.0743(19) 0.0638(17) -0.0032(13) 0.0178(12) 0.0084(15) C7 0.0566(17) 0.091(3) 0.090(2) 0.0030(16) 0.0412(17) 0.000(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' N N 0.0311 0.0180 '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' Br Br -0.6763 1.2805 '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 C3 C2 C1 121.1(2) C3 C2 Br1 118.91(19) C1 C2 Br1 119.99(19) C8 N1 C1 126.2(2) C8 N1 H1 116.9 C1 N1 H1 116.9 C6 C1 C2 118.2(2) C6 C1 N1 121.8(2) C2 C1 N1 119.8(2) C8 N2 C9 123.0(2) C8 N2 C10 120.7(2) C9 N2 C10 116.1(2) N2 C8 N1 114.9(2) N2 C8 S1 122.94(19) N1 C8 S1 122.14(19) C5 C6 C1 120.7(2) C5 C6 H6 119.6 C1 C6 H6 119.6 N2 C10 H10A 109.5 N2 C10 H10B 109.5 H10A C10 H10B 109.5 N2 C10 H10C 109.5 H10A C10 H10C 109.5 H10B C10 H10C 109.5 C6 C5 C4 121.0(2) C6 C5 H5 119.5 C4 C5 H5 119.5 C4 C3 C2 120.5(2) C4 C3 H3 119.7 C2 C3 H3 119.7 C3 C4 C5 118.4(2) C3 C4 C7 121.0(3) C5 C4 C7 120.5(3) N2 C9 H9A 109.5 N2 C9 H9B 109.5 H9A C9 H9B 109.5 N2 C9 H9C 109.5 H9A C9 H9C 109.5 H9B C9 H9C 109.5 C4 C7 H7A 109.5 C4 C7 H7B 109.5 H7A C7 H7B 109.5 C4 C7 H7C 109.5 H7A C7 H7C 109.5 H7B C7 H7C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Br1 C2 1.893(2) S1 C8 1.693(2) C2 C3 1.388(4) C2 C1 1.388(3) N1 C8 1.355(3) N1 C1 1.418(3) N1 H1 0.8600 C1 C6 1.383(4) N2 C8 1.340(3) N2 C9 1.456(4) N2 C10 1.459(3) C6 C5 1.382(4) C6 H6 0.9300 C10 H10A 0.9600 C10 H10B 0.9600 C10 H10C 0.9600 C5 C4 1.392(4) C5 H5 0.9300 C3 C4 1.379(4) C3 H3 0.9300 C4 C7 1.515(4) C9 H9A 0.9600 C9 H9B 0.9600 C9 H9C 0.9600 C7 H7A 0.9600 C7 H7B 0.9600 C7 H7C 0.9600 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 N1 H1 S1 2_545 0.86 2.60 3.309(2) 140.4 _cod_database_fobs_code 1548679