#------------------------------------------------------------------------------ #$Date: 2022-11-10 02:38:44 +0000 (Thu, 10 Nov 2022) $ #$Revision: 279168 $ #$URL: svn://www.crystallography.net/cod/cif/2/10/90/2109086.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_2109086 loop_ _publ_author_name 'Bujak, Maciej' 'Olejniczak, Anna' 'Podsiad\/lo, Marcin' _publ_section_title ; Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane -- a comparative study ; _journal_coeditor_code AW5073 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first ; ; _journal_paper_doi 10.1107/S2052520622010149 _journal_volume 78 _journal_year 2022 _chemical_formula_moiety 'C2 H5 I' _chemical_formula_sum 'C2 H5 I' _chemical_formula_weight 155.96 _chemical_name_systematic iodoethane _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 90 _cell_angle_beta 102.711(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.82719(15) _cell_length_b 10.1348(2) _cell_length_c 7.20284(19) _cell_measurement_reflns_used 6155 _cell_measurement_temperature 100.0(1) _cell_measurement_theta_max 36.59 _cell_measurement_theta_min 3.53 _cell_volume 414.956(18) _computing_cell_refinement 'CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)' _computing_data_collection 'CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)' _computing_data_reduction 'CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)' _computing_molecular_graphics 'Mercury (Macrae at al., 2020)' _computing_publication_material 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXS-2013/1 (Sheldrick, 2013)' _diffrn_ambient_temperature 100.0(1) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0164 _diffrn_reflns_av_unetI/netI 0.0072 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 9 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_number 7277 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.495 _diffrn_reflns_theta_min 3.528 _exptl_absorpt_coefficient_mu 7.477 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.105 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 2.496 _exptl_crystal_description irregular _exptl_crystal_F_000 280 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.353 _refine_diff_density_min -0.241 _refine_diff_density_rms 0.062 _refine_ls_extinction_coef 0.0398(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.314 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 30 _refine_ls_number_reflns 959 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.314 _refine_ls_R_factor_all 0.0112 _refine_ls_R_factor_gt 0.0110 _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^)+(0.0067P)^2^+0.2560P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0230 _refine_ls_wR_factor_ref 0.0231 _reflns_Friedel_coverage 0.000 _reflns_number_gt 951 _reflns_number_total 959 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file aw5073sup1.cif _cod_data_source_block MIE_100K _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 2109086 _publcif_datablock.id {ae225036-1b2f-40cc-b028-2266b38d2254} _shelx_shelxl_version_number 2018/3 _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 0.316 _shelx_estimated_absorpt_t_max 0.316 _shelx_res_file ; TITL MIE_100K in P2(1)/n mie_100k.res created by SHELXL-2018/3 at 09:37:23 on 12-Oct-2021 REM P2(1)/n (#14 in standard setting) CELL 0.71073 5.827190 10.134828 7.202839 90.0000 102.7107 90.0000 ZERR 4.00 0.000153 0.000246 0.000191 0.0000 0.0026 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H I UNIT 8.00 20.00 4.00 L.S. 50 BOND $H FMAP 2 PLAN 100 OMIT 0 55 ACTA SIZE 0.2 0.2 0.2 HTAB WGHT 0.006700 0.256000 EXTI 0.039788 FVAR 7.75929 I1 3 0.221294 0.944566 0.805595 11.00000 0.01578 0.02131 = 0.02392 -0.00155 0.00623 -0.00325 C1 1 -0.121148 0.855889 0.706887 11.00000 0.01618 0.02509 = 0.02550 0.00311 -0.00178 -0.00385 AFIX 23 H11 2 -0.241552 0.922316 0.704706 11.00000 -1.20000 H12 2 -0.134945 0.824167 0.577842 11.00000 -1.20000 AFIX 0 C2 1 -0.161779 0.743222 0.831274 11.00000 0.01802 0.01645 = 0.02779 -0.00070 0.00314 -0.00179 AFIX 137 H21 2 -0.316456 0.707785 0.784332 11.00000 -1.50000 H22 2 -0.148153 0.774193 0.959194 11.00000 -1.50000 H23 2 -0.046697 0.675675 0.829797 11.00000 -1.50000 AFIX 0 HKLF 4 REM MIE_100K in P2(1)/n REM wR2 = 0.0231, GooF = S = 1.314, Restrained GooF = 1.314 for all data REM R1 = 0.0110 for 951 Fo > 4sig(Fo) and 0.0112 for all 959 data REM 30 parameters refined using 0 restraints END WGHT 0.0067 0.2560 REM Instructions for potential hydrogen bonds HTAB C2 I1_$13 REM Highest difference peak 0.353, deepest hole -0.241, 1-sigma level 0.062 Q1 1 0.1066 0.9442 1.0371 11.00000 0.05 0.35 Q2 1 0.1350 0.9408 0.6974 11.00000 0.05 0.35 Q3 1 0.2920 0.8767 0.7843 11.00000 0.05 0.31 Q4 1 0.3305 0.9382 0.9133 11.00000 0.05 0.27 Q5 1 -0.1329 0.7975 0.7654 11.00000 0.05 0.27 Q6 1 -0.0417 0.7845 0.5956 11.00000 0.05 0.24 Q7 1 0.0160 1.0646 0.7387 11.00000 0.05 0.24 Q8 1 0.0651 0.8848 0.7697 11.00000 0.05 0.20 Q9 1 -0.0687 0.8438 0.6027 11.00000 0.05 0.20 Q10 1 0.3185 0.9987 0.8031 11.00000 0.05 0.19 Q11 1 0.2797 1.0036 0.7486 11.00000 0.05 0.18 Q12 1 -0.1173 0.7165 0.9826 11.00000 0.05 0.17 Q13 1 0.4195 0.9435 0.6230 11.00000 0.05 0.17 Q14 1 -0.1149 0.9360 0.4691 11.00000 0.05 0.16 Q15 1 -0.4071 0.7521 0.9069 11.00000 0.05 0.16 Q16 1 0.1109 1.0073 0.8786 11.00000 0.05 0.15 Q17 1 0.1751 0.6655 0.9130 11.00000 0.05 0.15 Q18 1 0.0239 0.6266 0.7369 11.00000 0.05 0.14 Q19 1 0.4034 0.8454 0.7101 11.00000 0.05 0.14 Q20 1 -0.0770 0.7217 0.8619 11.00000 0.05 0.14 ... ; _shelx_res_checksum 1974 _shelx_hkl_file ; 0 0 -2 914617. 2784.72 11 0 0 -2 903619. 2191.18 14 0 0 -3 330.577 114.618 3 0 0 -3 400.054 110.029 11 0 0 -3 307.059 100.019 10 0 0 3 285.106 53.9457 2 0 0 -4 33148.6 450.753 13 0 0 -4 32241.1 606.247 14 0 0 -4 33672.1 772.842 11 0 0 -4 33944.3 838.103 10 0 0 -4 33085.1 855.241 3 0 0 4 34380.3 453.062 2 0 0 -5 387.583 177.463 10 0 0 5 629.667 86.8295 2 0 0 -5 526.451 81.4997 13 0 0 6 132464. 1284.24 1 0 0 -6 133214. 1977.93 11 0 0 -6 135686. 2202.10 10 0 0 -6 134331. 2223.66 3 0 0 7 107.936 147.500 15 0 0 -7 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75439.0 1929.26 4 -1 -2 9 76435.0 1691.68 6 -1 2 8 65503.9 1470.17 15 -1 -2 8 66856.2 1549.15 5 -1 2 8 67908.9 1672.98 4 -1 -2 8 66608.8 1451.14 6 1 2 -8 64953.8 1933.69 10 1 2 -8 66050.8 1708.86 11 1 -2 -8 65412.7 1710.41 11 1 -2 -8 65261.4 2010.80 3 -1 2 7 158634. 1889.22 1 -1 -2 7 158723. 1891.56 15 -1 -2 7 159444. 2164.79 5 1 2 -7 162703. 2705.06 3 -1 2 7 156562. 2305.76 4 1 2 -7 155830. 2335.69 11 1 -2 -7 157186. 2374.74 11 1 2 -7 151441. 2672.67 10 1 -2 -7 159299. 2832.62 3 1 2 -6 68202.6 1560.76 3 1 -2 -6 66408.3 1656.78 3 -1 -2 6 65589.0 1126.81 15 -1 2 6 70396.7 1186.51 1 -1 -2 6 68407.8 1300.04 5 -1 2 6 66797.9 1367.68 4 1 2 -6 65731.2 1373.61 11 1 -2 -6 63962.8 1371.67 11 1 2 -6 64755.1 1577.89 10 1 2 -6 66789.4 1268.48 7 -1 -2 5 52496.4 928.574 15 1 -2 -5 54892.7 1051.28 14 1 2 -5 54965.7 520.154 13 -1 2 5 53015.1 947.182 1 -1 2 5 52075.4 1096.64 4 1 2 -5 53277.2 1049.38 7 -1 -2 5 53154.5 1044.35 5 1 -2 -5 52118.9 1112.66 11 1 2 -5 53537.7 1287.60 10 1 -2 -5 53444.4 1336.13 3 1 2 -5 53908.1 1223.23 3 -1 -2 4 1552.48 175.842 15 1 -2 -4 461.319 140.829 14 -1 2 4 1520.71 172.191 1 -1 2 4 1755.69 227.713 4 -1 -2 4 292.517 141.104 5 1 2 -4 815.988 150.071 7 1 2 -4 366.584 137.526 11 1 2 -4 1365.51 215.536 10 1 -2 -4 305.561 132.580 11 1 2 -4 496.967 147.868 3 1 -2 -4 537.015 178.202 3 -1 -2 3 104939. 1114.04 15 1 -2 -3 101094. 1158.91 14 -1 -2 3 101323. 1240.88 5 1 2 -3 102825. 1232.01 7 -1 2 3 108661. 1345.48 4 1 2 -3 100284. 1208.02 11 1 2 -3 106506. 1446.22 10 1 -2 -3 104791. 1238.23 11 1 -2 -3 106366. 1554.84 3 1 2 -3 108221. 1261.57 3 1 2 -2 261414. 1550.42 3 1 -2 -2 253874. 1405.72 2 1 -2 -2 258058. 2425.31 3 -1 2 2 261570. 1590.31 1 -1 -2 2 257507. 1638.73 15 1 -2 -2 257110. 1608.60 14 -1 -2 2 261723. 927.823 6 1 2 -2 263025. 2102.82 10 1 2 -2 250133. 1756.32 8 -1 -2 1 767965. 2707.57 15 1 -2 -1 770517. 2386.97 14 1 -2 -1 766474. 2458.32 2 1 2 -1 771086. 1799.68 3 -1 2 0 469177. 1747.38 1 1 2 0 485667. 1918.01 1 -1 -2 0 478202. 2133.60 15 1 -2 0 481998. 1522.13 14 1 -2 0 449781. 2140.76 12 1 2 0 490243. 2126.32 8 1 -2 0 467271. 1994.82 2 1 -2 1 806140. 2755.80 2 1 2 1 824173. 2373.55 1 -1 2 -1 820304. 2158.38 1 -1 -2 -1 798819. 2853.97 14 -1 2 -1 818015. 2815.03 13 -1 -2 -1 830596. 2730.89 13 1 -2 1 790813. 2769.57 5 1 -2 1 792403. 2794.21 12 -1 2 -1 772580. 3174.74 10 1 -2 2 280140. 1717.09 2 -1 -2 -2 276624. 1747.02 3 1 2 2 278703. 1383.49 1 -1 2 -2 266723. 1201.78 1 -1 -2 -2 277468. 1823.10 14 -1 -2 -2 274882. 1685.15 13 -1 2 -2 279155. 1759.53 13 1 -2 2 280283. 1881.68 5 1 -2 2 273887. 1948.65 6 1 -2 2 281029. 1749.03 12 -1 2 -2 280030. 2007.01 10 1 2 2 282439. 1726.27 8 1 2 2 271082. 1797.93 9 -1 -2 -3 225115. 1944.16 3 1 -2 3 227130. 1642.54 2 1 2 3 224909. 1296.95 1 -1 -2 -3 226834. 1780.47 14 1 -2 3 228139. 769.157 15 -1 -2 -3 220523. 1616.38 13 -1 2 -3 220017. 1700.14 13 1 -2 3 222634. 1890.94 6 -1 2 -3 223572. 1903.53 11 1 -2 3 224747. 1715.89 12 -1 -2 -3 224243. 1913.76 11 -1 2 -3 227842. 2076.92 10 1 2 3 222907. 1817.14 9 1 2 3 225593. 1691.54 8 -1 -2 -4 16653.3 635.044 3 1 -2 4 17619.8 492.557 2 1 2 4 16190.4 374.324 1 1 -2 4 17999.2 310.691 15 -1 -2 -4 16447.7 532.352 14 -1 2 -4 16788.5 504.530 13 -1 -2 -4 17085.4 488.702 13 1 -2 4 17030.9 593.625 6 1 -2 4 16267.2 523.051 12 -1 2 -4 16618.3 600.010 11 -1 -2 -4 16384.5 600.125 11 -1 2 -4 16404.8 642.604 10 1 2 4 17110.5 516.914 8 1 2 4 16474.6 576.934 9 1 -2 4 17403.4 287.096 8 1 2 5 1224.04 129.407 1 1 2 5 777.295 174.259 8 1 -2 5 3266.95 162.133 8 -1 -2 -5 1352.29 196.175 14 1 -2 5 673.422 214.338 5 -1 -2 -5 2762.93 313.765 3 1 -2 5 789.637 212.780 6 -1 -2 -5 1658.33 189.106 13 -1 2 -5 798.129 148.424 13 1 -2 5 1152.83 194.793 12 -1 2 -5 607.830 221.240 10 -1 -2 -5 893.658 223.687 11 1 -2 5 2134.10 202.180 2 1 2 6 27106.0 777.229 8 -1 -2 -6 27261.6 807.079 14 -1 2 -6 28132.4 727.578 13 1 -2 6 27642.9 908.403 6 1 -2 6 27295.0 925.647 5 1 -2 6 26387.8 795.750 12 -1 2 -6 26114.9 936.131 11 -1 2 -6 27979.5 1057.44 10 -1 -2 -6 28917.8 984.091 11 1 -2 6 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616.368 5 1 3 8 6835.22 568.556 4 -1 3 -8 5765.44 644.611 10 -1 -3 -8 6708.12 609.583 11 -1 3 -8 6397.96 609.217 11 1 3 9 830.065 343.007 9 1 3 9 2180.25 405.594 4 1 -3 9 2104.25 419.236 6 1 -3 9 1079.29 362.018 5 -1 -3 -9 1454.84 396.445 11 -1 3 -9 924.417 367.388 11 -1 3 -9 2182.32 503.452 10 1 3 10 855.578 371.178 9 1 -3 10 882.793 380.683 6 1 -3 10 696.787 380.556 5 1 3 10 996.222 357.478 4 -1 3 -10 791.785 428.219 10 -1 -3 -10 853.780 414.383 11 -1 3 -10 836.929 397.570 11 1 3 11 5573.16 693.753 9 -1 3 -11 4854.03 813.655 10 1 3 11 5386.36 673.902 4 1 -3 11 5591.79 719.743 5 -1 4 11 1743.99 501.368 4 -1 4 11 1699.70 479.864 9 -1 -4 11 1536.14 405.328 12 1 4 -11 1318.39 549.902 10 1 -4 -11 1475.57 574.321 3 1 -4 -10 48345.7 2224.96 3 -1 -4 10 47127.2 1724.57 5 -1 4 10 46469.4 1741.16 4 -1 4 10 46067.6 1514.58 15 -1 -4 10 48115.8 1609.91 12 1 4 -10 47497.4 2197.11 10 -1 4 10 49272.4 1716.05 9 -1 4 9 3869.08 522.030 9 -1 -4 9 3991.71 499.053 12 -1 4 9 4259.86 557.337 4 -1 -4 9 5548.92 592.579 5 1 4 -9 3823.77 628.479 10 1 4 -9 4411.83 554.519 11 1 -4 -9 3481.38 520.102 11 1 -4 -9 3915.69 663.073 3 -1 4 8 163913. 2620.95 9 -1 -4 8 161621. 2722.66 5 -1 4 8 153273. 2602.61 4 -1 -4 8 162547. 2587.64 12 1 4 -8 154568. 3251.53 10 1 4 -8 164074. 2691.41 11 1 -4 -8 157660. 2677.18 11 1 -4 -8 152261. 3254.96 3 1 -4 -7 4611.17 445.734 14 -1 4 7 6146.65 422.208 1 -1 -4 7 7473.34 648.101 5 -1 4 7 7456.76 564.961 4 -1 -4 7 4906.26 371.861 6 1 4 -7 4442.73 463.933 11 1 -4 -7 5117.08 485.133 11 1 4 -7 4553.17 573.092 10 1 -4 -7 4846.37 571.055 3 -1 -4 6 154192. 1735.76 15 1 -4 -6 154118. 2132.34 14 -1 4 6 156324. 1907.08 1 1 4 -6 154340. 2100.33 7 -1 -4 6 155107. 1729.82 6 -1 -4 6 149655. 2273.43 5 -1 4 6 150355. 2193.31 4 1 4 -6 148914. 2723.08 10 1 4 -6 154352. 2135.75 11 1 -4 -6 155977. 2193.50 11 1 -4 -6 149800. 2713.34 3 -1 -4 5 3532.06 275.971 15 1 -4 -5 2618.72 322.058 14 -1 4 5 1903.52 244.194 1 -1 4 5 2136.45 348.704 4 1 4 -5 1812.86 253.197 7 -1 -4 5 2798.28 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6209.31 304.802 15 -2 -1 0 6651.16 268.661 13 -2 1 0 6252.17 267.023 13 2 -1 0 6466.04 229.141 7 2 1 0 6348.38 258.715 6 2 -1 0 7251.54 294.133 12 2 1 0 6655.59 300.689 8 2 -1 0 7002.88 282.032 2 2 -1 1 3018.22 209.115 2 -2 1 -1 3145.44 181.981 15 -2 -1 -1 2937.50 225.626 15 -2 1 -1 3206.10 215.356 13 -2 -1 -1 3686.01 226.465 13 2 -1 1 3262.09 200.144 12 -2 1 -1 3308.50 145.864 10 2 -1 1 3122.56 114.514 9 2 1 1 3934.85 231.312 8 2 -1 1 3291.24 168.002 8 2 -1 2 54502.5 866.746 2 -2 1 -2 54857.3 381.848 1 -2 1 -2 53840.4 656.800 14 -2 -1 -2 52453.2 862.220 14 -2 1 -2 54894.3 894.439 13 -2 -1 -2 55219.3 870.854 13 2 -1 2 57691.6 1006.85 6 2 -1 2 56254.1 779.510 12 2 1 2 57522.3 503.321 12 -2 1 -2 55779.9 788.390 10 2 1 2 53671.4 802.252 9 2 1 2 55446.0 814.293 8 2 -1 2 53036.2 597.249 8 2 -1 3 314305. 2218.27 2 -2 1 -3 315401. 1495.87 14 -2 -1 -3 310926. 2152.83 14 -2 1 -3 315287. 2289.38 13 -2 -1 -3 309853. 2225.22 13 2 -1 3 310752. 2495.68 6 2 -1 3 311514. 1934.70 12 2 1 3 309372. 1341.22 12 -2 1 -3 314174. 2278.58 10 2 -1 3 313845. 1480.95 8 2 1 3 303705. 2070.47 9 2 1 3 311154. 1980.52 8 2 1 4 62608.2 1052.20 9 2 -1 4 63936.9 719.645 8 2 1 4 63847.2 958.613 8 -2 1 -4 62257.5 1091.79 13 -2 1 -4 67484.1 732.509 14 -2 -1 -4 64585.9 1099.79 13 -2 -1 -4 63951.1 1023.86 14 2 -1 4 63921.0 1244.41 6 -2 1 -4 63242.1 1352.53 11 2 -1 4 62096.6 935.383 12 2 1 4 62260.1 718.289 12 -2 -1 -4 62609.0 1343.84 11 -2 1 -4 64855.5 1215.56 10 2 -1 4 64239.9 1076.78 2 2 1 5 362244. 2715.38 2 2 1 5 357353. 2799.39 9 2 1 5 369505. 2473.08 8 -2 1 -5 367278. 2803.68 13 -2 -1 -5 363256. 2586.20 14 -2 -1 -5 367965. 2775.75 13 2 -1 5 364725. 3240.11 6 2 -1 5 359973. 2472.26 12 -2 -1 -5 348321. 3429.47 11 -2 1 -5 360609. 3469.22 11 -2 1 -5 365942. 3342.36 10 2 -1 5 357971. 2695.84 2 2 1 6 24270.4 757.006 2 2 1 6 23938.7 817.744 9 2 1 6 25534.6 707.938 8 -2 1 -6 24340.4 786.815 13 -2 -1 -6 25401.9 790.383 13 2 -1 6 24534.8 717.176 12 -2 -1 -6 23925.9 1015.48 11 -2 1 -6 23738.5 1003.73 11 -2 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21272.7 1180.68 4 -2 2 9 49576.3 1443.19 15 2 2 -9 53047.8 1913.87 3 -2 -2 9 51953.7 1616.38 4 -2 2 9 49670.0 1626.88 4 2 2 -9 46612.4 1796.36 10 2 -2 -9 45154.3 1943.04 3 -2 2 8 92919.4 1702.71 1 -2 2 8 99455.4 1879.52 15 -2 -2 8 96092.1 1740.16 15 -2 2 8 95521.7 2058.72 4 -2 -2 8 100105. 1874.31 5 -2 -2 8 100232. 2056.91 4 2 2 -8 98297.2 2318.69 10 2 2 -8 98641.2 2344.98 3 2 -2 -8 93737.9 2532.45 3 2 -2 -7 122158. 2639.26 3 2 2 -7 131121. 2410.18 3 -2 2 7 130648. 1887.52 1 -2 2 7 125718. 2168.80 4 -2 -2 7 130387. 1973.68 5 -2 2 7 129333. 1986.64 15 -2 -2 7 124481. 1848.29 15 2 2 -7 122109. 2379.70 10 2 2 -7 125810. 2165.01 7 -2 -2 6 139726. 1820.83 15 2 2 -6 138008. 2262.71 10 2 2 -6 141405. 2233.63 3 2 2 -6 140157. 2130.12 7 -2 -2 6 140548. 1882.56 5 -2 2 6 138455. 2108.39 4 -2 -2 5 88657.4 1361.73 15 -2 2 5 93505.7 1642.50 4 2 2 -5 88672.8 1577.48 7 -2 -2 5 87169.3 1392.58 5 2 2 -5 92412.7 1659.83 10 2 2 -5 92086.6 1606.75 3 -2 2 4 26135.1 387.783 13 -2 -2 4 25625.2 697.639 15 2 2 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7159.40 510.943 14 -2 4 -5 10502.1 574.948 13 2 -4 5 6969.24 529.061 5 -2 4 -5 7242.48 515.255 11 2 -4 5 7211.48 474.258 12 -2 -4 -5 7227.94 510.496 11 -2 4 -5 7248.96 550.462 10 2 -4 5 8386.65 483.116 2 2 4 6 1496.42 337.325 9 2 4 6 2128.36 305.100 8 -2 -4 -6 2339.31 338.176 14 2 -4 6 1482.24 343.645 5 2 -4 6 1444.65 285.138 12 -2 4 -6 1761.41 288.393 13 -2 4 -6 1777.15 334.141 11 -2 -4 -6 1456.74 308.118 11 -2 4 -6 1412.71 327.375 10 2 -4 6 1895.77 283.155 2 -2 -4 -7 42125.0 1305.74 14 2 -4 7 44305.0 1250.77 12 2 4 7 42864.7 1349.41 9 2 4 7 41149.9 1187.56 8 2 4 7 40798.5 1180.88 4 2 -4 7 41957.2 1411.20 5 -2 4 -7 40803.8 1519.33 10 -2 4 -7 41961.5 1407.74 11 -2 -4 -7 43245.2 1437.42 11 2 4 8 2472.65 449.832 9 2 -4 8 2111.50 440.358 5 -2 4 -8 1677.49 417.729 10 -2 4 -8 1740.14 399.609 11 -2 -4 -8 1459.32 390.631 11 2 4 9 53612.5 1773.45 9 2 -4 9 55259.1 1890.73 5 -2 4 -9 51739.8 2082.98 10 -2 4 -9 54360.3 1911.74 11 -2 -4 -9 53720.3 1925.56 11 2 4 10 1353.72 413.564 9 -2 4 -10 749.883 396.245 10 -2 4 -10 837.617 371.006 11 -2 -4 -10 906.087 410.105 11 2 -4 10 1144.18 531.101 5 2 4 10 607.673 340.844 6 2 -5 -11 893.544 619.741 3 -2 -5 11 1739.91 476.935 4 -2 -5 11 984.685 395.167 12 -2 5 11 805.336 373.176 15 2 5 -11 1325.80 589.536 10 -2 5 11 1154.47 432.754 9 2 -5 -10 32816.9 2071.72 3 -2 -5 10 34109.0 1452.71 12 -2 5 10 32341.7 1346.97 15 2 5 -10 32974.9 1904.34 10 -2 5 10 34980.3 1486.38 9 -2 5 9 1408.13 402.082 9 -2 -5 9 472.178 318.055 12 2 5 -9 954.935 444.959 10 2 -5 -9 363.326 410.322 3 -2 5 8 345.013 237.279 1 -2 5 8 320.301 298.196 9 2 5 -8 266.855 355.782 10 2 -5 -8 1312.96 474.064 3 2 -5 -7 619.081 390.163 3 -2 -5 7 782.860 236.476 15 -2 5 7 683.867 244.933 1 2 5 -7 889.974 312.244 7 2 5 -7 632.316 351.824 10 -2 5 7 1116.85 314.326 9 2 -5 -6 143685. 3324.95 3 -2 -5 6 138605. 1896.42 15 2 -5 -6 145867. 2192.81 14 -2 5 6 142056. 2057.86 1 2 5 -6 142704. 2702.45 7 2 5 -6 141041. 2893.68 10 -2 5 6 148563. 2138.26 9 2 -5 -5 12344.7 1009.81 3 -2 -5 5 11277.7 544.914 15 2 -5 -5 11719.5 597.666 14 -2 5 5 12012.2 591.702 1 2 5 -5 11429.9 750.365 7 2 5 -5 12093.9 828.928 10 -2 5 5 11727.8 579.890 9 2 -5 -4 591549. 7191.00 3 -2 -5 4 582362. 3645.34 15 -2 5 4 585518. 3715.32 1 2 5 -4 582738. 5349.52 10 2 5 -4 592134. 4768.15 8 -2 5 4 592629. 3571.29 9 2 -5 -3 18014.0 1571.85 3 -2 -5 3 18999.9 661.925 15 2 -5 -3 19190.8 643.645 14 -2 5 3 19213.6 659.326 1 2 5 -3 20641.0 1049.22 10 -2 5 3 18734.9 610.186 9 2 5 -3 19935.9 803.315 8 -2 5 2 635704. 3510.05 1 2 -5 -2 632448. 3295.62 14 -2 -5 2 632079. 3696.20 15 2 -5 -2 624412. 4217.80 12 2 -5 -2 620464. 3586.19 2 2 5 -2 639386. 4048.44 8 -2 5 2 644350. 3378.96 9 2 5 -1 8116.86 427.703 1 -2 5 1 7023.21 409.661 1 2 -5 -1 6165.65 313.280 14 -2 -5 1 5281.96 384.523 15 -2 -5 1 6295.15 320.429 12 2 -5 -1 7869.22 694.323 12 2 5 -1 9839.29 488.045 8 2 5 0 118378. 1476.93 1 -2 5 0 118030. 1432.10 1 -2 -5 0 115192. 1596.66 14 -2 -5 0 115364. 1644.81 15 2 -5 0 119186. 1184.81 14 2 -5 0 117535. 1677.56 12 -2 -5 0 118187. 1211.80 12 2 5 0 118147. 1610.81 8 2 -5 0 121158. 1586.15 2 -2 -5 -1 1226.96 230.456 14 2 -5 1 1650.65 297.250 5 -2 -5 -1 1729.16 162.654 12 2 -5 1 1142.56 258.785 12 2 5 1 1635.37 240.721 8 -2 5 -1 1340.22 191.147 1 2 5 1 1214.71 188.199 1 2 -5 1 1275.57 213.090 2 2 -5 2 73049.9 1290.31 2 -2 5 -2 73741.3 1136.25 1 2 5 2 71588.3 1119.34 1 -2 -5 -2 71452.8 1378.52 14 -2 5 -2 73098.5 1337.20 13 2 -5 2 72479.7 1390.16 5 2 -5 2 72153.7 1313.91 12 -2 5 -2 70287.6 1722.95 10 2 5 2 72230.4 1284.97 8 -2 5 -2 71252.1 624.834 8 2 5 3 11975.5 470.396 1 -2 5 -3 12025.3 482.501 1 -2 -5 -3 12699.7 626.549 14 -2 5 -3 11674.1 600.685 13 2 5 3 13115.1 390.252 4 -2 -5 -3 12637.4 548.011 11 2 -5 3 12108.9 570.252 12 -2 5 -3 13324.5 559.242 11 -2 5 -3 12645.3 709.801 10 2 5 3 11850.8 556.072 8 2 -5 4 273051. 2643.14 2 2 5 4 268275. 2159.14 1 -2 -5 -4 261966. 2906.46 14 -2 5 -4 266327. 2848.86 13 2 5 4 271133. 2041.24 4 2 -5 4 276182. 2987.87 5 2 -5 4 269273. 2707.54 12 -2 5 -4 276141. 2688.50 11 -2 -5 -4 265159. 2670.62 11 -2 5 -4 264171. 3277.24 10 2 5 4 271888. 2668.64 8 2 5 5 8088.60 580.886 9 2 5 5 8901.11 533.252 8 -2 -5 -5 9892.30 628.766 14 -2 5 -5 8544.81 569.863 13 2 5 5 8739.06 442.781 4 2 -5 5 8435.78 607.010 5 2 -5 5 9230.82 554.945 12 -2 5 -5 8757.63 552.882 11 -2 5 -5 9089.35 669.799 10 -2 -5 -5 8411.57 557.981 11 2 -5 5 8853.92 518.973 2 2 5 6 170018. 2607.82 9 2 5 6 174393. 2402.57 8 -2 -5 -6 173562. 2673.34 14 -2 5 -6 177120. 2607.67 13 2 -5 6 171876. 2714.00 5 2 -5 6 174688. 2470.76 12 -2 5 -6 181535. 2639.46 11 -2 -5 -6 170237. 2585.10 11 -2 5 -6 167229. 2986.98 10 2 -5 6 174765. 2272.99 2 -2 -5 -7 2099.69 365.925 14 2 -5 7 2508.18 390.361 12 2 5 7 2564.49 444.512 9 2 5 7 3489.37 403.729 8 -2 5 -7 2220.17 384.662 11 -2 5 -7 2206.41 422.053 10 -2 -5 -7 1655.09 341.823 11 2 -5 7 1425.84 400.610 5 2 -5 8 35977.4 1277.29 12 2 5 8 35123.2 1388.30 9 2 -5 8 33737.6 1428.08 5 -2 5 -8 36225.8 1420.09 11 -2 5 -8 31898.9 1557.94 10 -2 -5 -8 33663.7 1382.03 11 2 5 9 143.430 346.829 9 2 -5 9-52.4137 398.081 5 -2 5 -9 343.392 357.771 10 -2 5 -9 662.572 348.510 11 -2 -5 -9 131.371 319.624 11 2 5 10 769.253 428.345 9 -2 5 -10 124.052 349.171 10 -2 -5 -10 716.631 396.968 11 2 -5 10 269.285 394.861 5 -2 -6 11 5392.30 671.040 12 -2 6 11 5232.22 638.568 15 2 -6 -11 4897.00 1016.10 3 2 -6 -10 6267.61 1028.43 3 -2 -6 10 8447.64 780.838 12 -2 6 10 9013.82 762.079 15 2 6 -10 9464.60 1122.46 10 -2 6 10 8149.51 777.041 9 -2 6 9 53028.4 1707.08 9 -2 -6 9 51144.1 1705.66 12 2 6 -9 50255.3 2282.06 10 2 -6 -9 49074.6 2451.98 3 -2 6 8 37713.3 1336.02 9 -2 6 8 36148.3 1221.05 1 -2 -6 8 38388.9 1366.36 12 2 6 -8 35268.9 1813.67 10 2 -6 -8 36126.4 1970.29 3 2 -6 -7 113926. 3328.81 3 -2 6 7 111698. 2013.39 1 -2 -6 7 111798. 1811.56 15 2 -6 -7 116330. 2199.04 14 -2 -6 7 116063. 2197.70 12 2 6 -7 112042. 2994.28 10 -2 6 7 118384. 2157.93 9 2 -6 -6 39601.8 1929.23 3 -2 -6 6 38852.3 1045.17 15 2 -6 -6 39510.9 1205.09 14 -2 6 6 39313.8 1131.18 1 2 6 -6 39966.3 1620.71 7 2 6 -6 39101.1 1703.67 10 -2 6 6 39649.5 1167.39 9 2 -6 -5 61400.4 2444.05 3 -2 -6 5 61123.4 1265.21 15 2 -6 -5 66845.7 1445.27 14 -2 6 5 60686.8 1330.99 1 2 6 -5 63260.2 1888.34 7 2 6 -5 59835.0 2050.10 10 -2 6 5 64552.5 1364.17 9 2 -6 -4 293.831 497.212 3 -2 -6 4 453.945 195.806 15 2 -6 -4 502.937 208.736 14 -2 6 4 1038.65 240.038 1 2 6 -4 611.650 351.136 10 2 6 -4 369.073 288.284 8 2 -6 -3 11455.6 1541.19 3 -2 -6 3 13605.3 604.868 15 -2 6 3 13875.6 599.017 1 2 -6 -3 13888.2 754.060 12 -2 -6 3 13763.9 581.126 12 2 6 -3 16493.3 1095.64 10 -2 6 3 15549.0 628.215 9 2 6 -3 15362.3 756.907 8 -2 6 2 86174.5 1405.51 1 2 -6 -2 85293.0 1284.49 14 -2 -6 2 86449.6 1452.58 15 -2 -6 2 85400.3 1325.92 12 2 -6 -2 86347.9 1690.61 12 2 -6 -2 85889.8 1466.93 2 2 6 -2 85403.4 1582.67 8 2 6 -1 309297. 2682.87 1 -2 6 1 308238. 2587.20 1 2 -6 -1 308814. 2256.22 14 -2 -6 1 311978. 2825.94 15 2 -6 -1 298081. 2975.02 12 -2 -6 1 308192. 2363.00 12 2 -6 -1 307617. 2724.19 2 2 6 -1 308260. 2845.19 8 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530.284 14 -2 6 -4 6279.37 499.591 13 2 -6 4 5681.39 536.296 5 2 -6 4 6172.46 487.754 12 -2 6 -4 6195.16 423.276 11 -2 -6 -4 5574.49 408.311 11 -2 6 -4 5659.14 581.098 10 2 6 4 6772.23 483.785 8 2 6 5 5955.43 379.659 1 2 6 5 6517.10 506.630 8 -2 -6 -5 5794.77 528.073 14 -2 6 -5 6305.35 544.318 13 2 -6 5 7339.47 696.952 5 2 -6 5 6688.65 559.098 12 -2 6 -5 6526.62 520.388 11 -2 -6 -5 6190.24 476.475 11 -2 6 -5 6625.66 663.582 10 2 -6 5 6134.37 483.152 2 2 6 6 8213.32 585.730 8 -2 -6 -6 7899.97 639.097 14 -2 6 -6 8104.99 637.171 13 2 -6 6 9873.60 793.949 5 2 -6 6 8300.16 676.203 12 -2 6 -6 8426.39 622.202 11 -2 -6 -6 6959.25 553.623 11 -2 6 -6 8218.65 756.387 10 2 -6 6 8490.68 616.245 2 -2 -6 -7 25150.5 1161.09 14 2 -6 7 25938.5 1228.00 5 2 -6 7 24520.7 1055.93 12 -2 6 -7 27991.9 1145.75 11 -2 -6 -7 24061.1 1078.42 11 -2 6 -7 22928.1 1306.60 10 2 6 7 22548.4 1107.35 9 2 6 7 23530.1 1013.29 8 -2 -6 -8 13480.1 924.297 14 2 -6 8 14483.8 880.031 12 2 6 8 13529.2 953.489 9 2 6 8 13400.9 821.076 8 -2 6 -8 13287.2 1109.94 10 -2 6 -8 15401.6 939.504 11 -2 -6 -8 14233.6 920.763 11 2 -6 8 14529.3 1026.03 5 -2 6 -9 33227.9 1835.88 10 -2 6 -9 37229.9 1564.33 11 -2 -6 -9 35146.0 1541.37 11 2 6 9 35037.3 1573.97 9 2 -6 9 38898.5 1719.39 5 -2 6 -10 6352.08 762.504 11 -2 -6 -10 5868.95 755.300 11 -2 6 -10 5029.05 857.858 10 -2 -7 10 6232.07 704.432 12 -2 7 10 7934.31 791.335 9 2 7 -10 6085.47 1033.10 10 2 -7 -10 5594.99 1053.65 3 -2 -7 9 8428.86 755.436 12 -2 7 9 8755.80 775.205 9 2 7 -9 8142.50 1052.52 10 2 -7 -9 7590.74 1085.41 3 -2 7 8 191.231 243.998 1 -2 7 8 244.233 315.215 9 -2 -7 8 309.480 350.583 12 2 7 -8 225.633 372.253 10 2 -7 -8 499.356 420.132 3 -2 7 7 7598.77 597.502 1 -2 7 7 8645.04 659.406 9 2 -7 -7 7134.80 605.109 14 -2 -7 7 7326.27 635.332 12 2 7 -7 6962.11 910.169 10 2 -7 -7 8545.90 1037.38 3 2 -7 -6 28675.9 1795.49 3 -2 7 6 32177.2 1087.14 1 -2 -7 6 30855.9 955.631 15 2 -7 -6 31340.7 1117.28 14 2 7 -6 31154.5 1634.88 7 -2 -7 6 31841.5 1137.12 12 -2 7 6 32428.9 1118.46 9 2 -7 -5 128615. 3878.48 3 -2 -7 5 122577. 1854.96 15 2 -7 -5 126334. 2060.44 14 -2 7 5 131950. 2075.61 1 -2 -7 5 124617. 2083.75 12 2 7 -5 126220. 3372.91 10 -2 7 5 127845. 2074.14 9 2 -7 -4 141028. 4568.18 3 -2 -7 4 133300. 1909.84 15 2 -7 -4 138818. 2008.58 14 -2 7 4 141738. 2061.60 1 -2 -7 4 140481. 2069.09 12 2 7 -4 142506. 3532.57 10 -2 7 4 139987. 2061.01 9 2 7 -4 147742. 2788.09 8 -2 -7 3 285490. 2763.41 15 2 -7 -3 275214. 2657.52 14 -2 7 3 274858. 2761.97 1 2 -7 -3 292532. 3585.42 12 -2 -7 3 279191. 2756.73 12 2 7 -3 294744. 5082.61 10 2 7 -3 288941. 3364.46 8 -2 -7 2 177917. 2233.21 15 2 -7 -2 177447. 1987.45 14 2 7 -2 180664. 2263.09 1 -2 7 2 179780. 2150.68 1 -2 -7 2 178918. 2060.83 12 2 -7 -2 185705. 2671.62 12 2 -7 -2 177277. 2273.14 2 2 7 -2 180713. 2415.77 8 -2 -7 1 180336. 2155.98 14 2 -7 -1 178721. 1850.89 14 -2 7 1 178479. 2122.08 1 2 7 -1 172602. 2144.37 1 2 -7 -1 174327. 2440.30 12 -2 -7 1 180380. 1960.62 12 2 -7 -1 175934. 2237.93 2 2 7 -1 175836. 2287.25 8 -2 -7 0 53985.3 1240.44 14 2 -7 0 53121.7 935.957 14 -2 7 0 53535.5 1166.38 1 2 7 0 52573.3 1164.85 1 2 -7 0 53450.6 1317.91 12 -2 -7 0 54168.3 1065.07 12 2 7 0 54487.0 1246.88 8 -2 -7 -1 1917.38 312.551 14 2 -7 1 2072.31 184.700 14 2 -7 1 2792.82 372.885 12 -2 -7 -1 1936.51 254.665 12 -2 7 -1 2158.52 204.225 8 2 7 1 1658.92 289.931 8 2 7 1 1956.74 272.287 1 -2 7 -1 2451.27 288.795 1 2 -7 2 9915.87 593.039 2 -2 7 -2 9217.76 509.405 1 2 7 2 8949.83 497.825 1 -2 -7 -2 9173.72 579.272 14 -2 -7 -2 8998.11 399.458 11 2 -7 2 9663.91 618.110 12 -2 7 -2 9077.49 397.869 11 -2 7 -2 9068.55 1083.89 10 2 7 2 9314.59 555.805 8 2 -7 3 79321.3 1565.17 2 -2 7 -3 80136.5 1515.38 1 2 7 3 80591.0 1405.97 1 -2 -7 -3 80779.1 1721.16 14 -2 7 -3 78716.0 1685.35 13 2 -7 3 78728.5 1844.17 5 -2 -7 -3 78269.7 1272.59 11 2 -7 3 79992.6 1635.73 12 -2 7 -3 82787.8 1295.61 11 -2 7 -3 80451.8 2605.20 10 2 7 3 77922.1 1555.14 8 2 -7 4 83625.6 1649.27 2 2 7 4 84716.2 1460.03 1 -2 -7 -4 81904.4 1840.02 14 -2 7 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10398.2 837.699 14 -2 12 6 10342.1 822.685 1 -2 -12 6 11425.3 892.627 12 2 12 -6 11654.3 1892.56 10 -2 12 6 9730.70 802.479 8 -2 12 5 22114.7 1121.73 8 2 -12 -5 22612.2 1125.32 14 -2 12 5 21960.9 1130.96 1 -2 -12 5 22398.4 1157.64 12 2 -12 -5 23889.3 1817.17 3 -2 12 4 2196.26 425.745 8 2 -12 -4 2406.34 420.957 14 -2 12 4 2689.83 462.735 1 -2 -12 4 2796.57 489.866 12 2 12 -4 3094.11 1030.63 10 2 -12 -4 2918.20 756.077 3 -2 12 3 527.526 274.504 8 2 12 -3 1006.40 406.677 8 2 -12 -3 1061.39 308.588 14 -2 -12 3 578.858 265.161 14 -2 12 3 523.359 324.946 1 2 -12 -3 964.708 545.256 12 -2 -12 3 1163.31 357.684 12 2 12 -3 815.819 750.712 10 2 -12 -3 1018.47 648.974 3 -2 -12 2 4028.61 449.461 14 2 -12 -2 5068.42 491.987 14 -2 12 2 4404.75 531.799 1 2 12 -2 3918.97 527.028 1 -2 -12 2 4173.98 524.599 12 2 -12 -2 5223.70 706.743 12 2 -12 -2 5279.24 997.148 3 2 12 -2 4038.87 552.453 8 -2 12 2 3953.35 474.613 8 2 -12 -1 62084.6 1483.67 14 2 -12 -1 65097.0 2047.95 12 -2 -12 1 59668.8 1594.40 14 -2 12 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2 5 22822.8 923.752 6 3 -2 5 21128.2 915.956 6 -3 -2 -5 22036.4 1020.74 11 3 -2 5 21719.9 691.460 12 -3 2 -5 22512.4 1023.04 11 -3 2 -5 22505.4 851.431 10 3 -2 5 21924.4 810.685 2 3 2 6 506.843 237.898 9 -3 2 -6 1884.47 348.573 13 -3 -2 -6 1006.75 262.242 13 3 2 6 578.399 309.989 6 3 -2 6 2129.06 463.800 6 -3 2 -6 1456.93 292.119 10 -3 2 -6 533.801 298.434 11 -3 -2 -6 814.645 329.743 11 3 2 6 680.464 229.629 2 3 -2 6 780.717 243.430 2 -3 -2 -7 4630.99 587.448 11 -3 2 -7 5350.82 550.988 10 -3 2 -7 5051.22 596.717 11 3 2 7 4997.55 550.509 6 3 -2 7 4977.04 558.271 5 3 -2 7 4810.36 576.766 6 3 2 7 5312.91 491.913 9 -3 2 -8 19841.2 1202.33 11 -3 -2 -8 20115.2 1213.48 11 -3 2 -8 21561.1 1169.15 10 3 -2 8 21099.1 1114.97 5 3 2 8 20813.9 1118.96 6 3 -2 8 20698.4 1147.33 6 3 2 8 20476.1 988.120 9 -3 2 -9 17495.2 1216.13 11 -3 -2 -9 16699.2 1199.01 11 3 -2 9 19673.8 1173.42 5 3 2 9 17301.6 1109.34 6 3 -2 9 16836.9 1129.93 6 3 -2 10 15987.8 1166.41 6 -3 3 11 35658.1 1474.47 15 3 3 -11 35507.6 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71308.7 1926.56 10 3 -3 7 70161.0 1872.63 5 3 3 7 66631.2 1848.38 6 3 -3 7 68097.7 1905.87 6 3 3 7 66386.0 1675.67 9 -3 3 -8 15155.0 1051.22 11 -3 -3 -8 15256.9 1063.16 11 -3 3 -8 14798.5 988.408 10 3 3 8 15398.5 979.029 6 3 -3 8 16489.6 1063.58 5 3 3 8 14282.7 871.299 9 -3 3 -9 8420.55 872.023 11 -3 -3 -9 8103.45 867.933 11 -3 3 -9 8393.43 835.106 10 3 3 9 9579.16 847.144 6 3 -3 9 9127.81 854.129 5 3 -4 -11 375.327 563.391 3 -3 -4 11 55.3101 368.853 4 -3 4 11 125.693 314.391 15 3 4 -11-31.8848 365.807 10 -3 4 11 114.372 350.139 9 -3 4 10 23468.5 1174.90 15 -3 -4 10 27596.2 1344.89 4 3 4 -10 23469.5 1464.25 10 3 -4 -10 23079.2 1852.94 3 -3 4 9 1126.21 379.310 15 -3 -4 9 653.130 348.623 4 -3 4 9 1397.23 328.675 1 3 4 -9 1875.87 473.537 10 3 -4 -9 755.408 494.337 3 -3 4 8 157726. 2600.74 15 -3 -4 8 146409. 2323.76 15 3 4 -8 140287. 3138.30 7 -3 -4 8 153478. 2628.05 4 -3 4 8 151190. 2453.21 1 3 4 -8 143845. 2999.93 10 -3 4 7 8170.62 598.421 15 -3 -4 7 8189.66 559.765 15 3 4 -7 6981.33 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74409.7 1236.05 2 3 4 -2 75861.2 775.585 3 -3 4 2 69442.5 1192.21 1 -3 -4 2 69442.7 1346.90 15 -3 4 2 71090.2 1125.69 13 3 -4 -2 69809.7 1386.71 12 3 4 -2 68317.5 1493.13 10 -3 4 2 72352.7 926.625 9 3 4 -2 70587.5 1416.69 8 -3 4 1 574.839 158.879 1 -3 -4 1 709.786 223.121 15 -3 4 1 158.212 135.166 13 3 4 -1 365.631 201.492 8 -3 4 0 507359. 2900.19 1 -3 4 0 506312. 2639.10 15 -3 -4 0 493865. 3714.09 15 -3 4 0 510423. 3263.15 13 3 4 0 500698. 2451.98 6 3 -4 0 505687. 3082.94 5 -3 -4 0 516899. 3293.53 13 3 -4 0 511999. 3541.49 12 3 4 0 507204. 3482.11 8 3 -4 0 504179. 3293.70 2 3 -4 1 25361.2 776.485 2 -3 4 -1 25920.8 638.956 1 -3 4 -1 25940.6 556.418 15 -3 -4 -1 24303.9 875.102 15 -3 4 -1 25510.0 782.043 13 -3 -4 -1 25307.5 767.061 13 3 -4 1 25466.3 729.765 5 3 -4 1 25020.6 788.339 12 -3 -4 -1 26853.1 401.175 12 -3 4 -1 25698.4 692.516 10 3 -4 2 531346. 3596.05 2 -3 4 -2 531390. 2844.99 1 -3 -4 -2 511533. 4003.12 14 -3 4 -2 533426. 3726.01 13 -3 -4 -2 531617. 3579.50 13 3 -4 2 528478. 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3 -4 2 10 7033.91 636.308 1 -4 2 10 8357.22 732.084 15 -4 -2 10 8784.65 724.090 15 -4 -2 10 8286.99 822.145 4 4 2 -10 8077.96 823.321 10 4 2 -10 6926.08 814.837 3 4 -2 -10 8073.67 1059.75 3 4 2 -9 23233.5 1287.03 3 4 -2 -9 23542.7 1589.90 3 -4 2 9 21544.2 1018.38 1 -4 -2 9 23004.8 1192.37 4 -4 2 9 22979.9 1099.52 15 4 2 -9 22449.6 1199.72 10 4 2 -9 22347.6 1360.28 7 4 2 -8 86368.0 2239.26 3 4 -2 -8 87973.4 2846.76 3 -4 -2 8 86295.0 2059.88 4 -4 2 8 86185.9 1940.35 15 -4 -2 8 86209.5 1912.82 15 4 2 -8 85690.1 2089.91 10 4 2 -8 83581.5 2347.78 7 4 2 -7 97138.7 2327.67 7 -4 -2 7 99420.3 2062.73 4 -4 -2 7 98097.1 1943.13 15 -4 2 7 99831.7 1966.20 15 4 2 -7 98332.8 2046.44 10 4 2 -7 95158.1 2145.98 3 4 -2 -7 96768.8 2811.43 3 4 2 -6 199074. 2809.97 3 4 -2 -6 201891. 3840.87 3 4 2 -6 201096. 3088.77 7 -4 -2 6 201859. 2752.25 4 -4 2 6 193612. 2595.35 15 -4 -2 6 193472. 2599.85 15 4 2 -6 203604. 2633.24 10 4 -2 -6 200354. 2872.56 7 4 2 -5 119125. 1982.42 3 4 -2 -5 118886. 2923.34 3 -4 2 5 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2 4 124153. 2086.29 6 4 -2 4 127644. 1679.31 12 4 2 4 123209. 1756.99 8 4 -2 4 126718. 2038.45 2 -4 2 -5 19032.6 887.921 13 -4 -2 -5 18319.0 854.627 13 4 2 5 18447.4 895.885 6 -4 2 -5 18277.8 1109.14 11 -4 -2 -5 16134.9 1055.62 11 4 -2 5 18057.4 839.630 2 4 2 5 21265.5 901.564 2 4 -2 6 3016.50 401.466 2 -4 -2 -6 2662.74 406.793 13 -4 2 -6 2836.28 419.787 13 -4 -2 -6 3522.09 582.913 11 4 2 6 2846.39 454.978 6 4 2 6 2746.27 374.104 2 -4 2 -6 2693.68 527.348 11 -4 2 -7 1452.45 472.694 11 -4 -2 -7 1432.12 499.886 11 4 2 7 1012.22 377.712 6 4 -2 7 1541.92 415.952 5 -4 2 -8 11241.5 1051.20 11 -4 -2 -8 9820.51 999.947 11 4 2 8 11040.9 899.171 6 4 -2 8 11371.7 906.823 5 -4 2 -9 10140.0 1070.23 11 -4 -2 -9 7946.52 976.757 11 4 2 9 7367.70 812.371 6 4 -2 9 8369.54 847.156 5 -4 3 11 11193.2 898.327 15 4 3 -11 10698.4 1039.17 10 4 -3 -11 10634.6 1378.10 3 -4 3 10 38155.2 1419.91 1 -4 3 10 40692.9 1561.67 15 -4 -3 10 41626.5 1488.65 15 4 3 -10 41441.8 1817.41 3 -4 -3 10 42211.4 1703.54 4 4 3 -10 43632.1 1864.02 10 4 -3 -10 41656.2 2427.91 3 4 3 -9 12777.4 957.248 3 4 -3 -9 13635.6 1365.79 3 -4 3 9 13861.3 850.664 1 -4 3 9 14176.3 882.358 15 -4 -3 9 15266.5 905.232 15 -4 -3 9 13630.2 934.982 4 4 3 -9 12793.9 949.012 10 4 3 -9 12824.1 1085.30 7 -4 -3 8 19020.0 928.458 15 -4 3 8 19342.4 968.625 15 4 3 -8 19803.8 1233.89 7 -4 -3 8 20784.7 1034.57 4 -4 3 8 20579.8 952.552 1 4 3 -8 20030.9 1064.17 10 4 3 -8 19645.8 1056.95 3 4 -3 -8 18916.5 1497.40 3 -4 3 7 601.957 296.179 15 -4 -3 7 866.079 314.892 15 4 3 -7 576.103 266.101 10 4 3 -7 1341.20 309.551 3 4 3 -7 826.824 342.836 7 -4 -3 7 790.870 312.196 4 -4 3 6 22898.5 923.488 15 4 3 -6 23209.2 948.766 10 4 3 -6 22706.6 922.385 3 4 -3 -6 24092.3 1552.25 3 4 3 -6 21849.1 1095.64 7 -4 -3 6 23081.8 934.902 4 -4 3 5 29473.9 979.181 15 -4 -3 5 29874.0 1016.04 15 4 3 -5 30345.9 1177.85 7 -4 -3 5 30379.4 1008.14 4 4 3 -5 30571.6 988.550 10 4 3 -5 30881.4 964.172 3 4 -3 -4 305702. 2622.24 2 4 3 -4 297851. 2661.09 3 -4 3 4 300578. 2909.92 15 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237256. 1873.45 7 4 3 0 236207. 2188.09 6 4 -3 0 237797. 2447.67 12 4 -3 0 234341. 2424.07 2 4 3 0 239003. 2537.54 8 -4 3 -1 30023.9 704.190 1 -4 -3 -1 31356.2 1129.50 15 -4 3 -1 30981.2 910.172 15 -4 3 -1 30611.3 914.452 13 -4 -3 -1 29524.2 889.139 13 4 3 1 29840.5 812.193 6 4 -3 1 29989.8 791.878 5 4 -3 1 33477.4 919.957 12 4 -3 1 30028.1 909.785 2 4 -3 1 31796.1 617.044 7 4 3 1 29266.1 895.243 8 -4 -3 -2 768.141 307.790 14 4 -3 2 524.614 193.377 12 -4 3 -2 691.427 246.042 13 -4 -3 -2 420.174 219.437 13 4 3 2 290.546 205.427 8 4 -3 2 458.795 222.933 2 -4 -3 -3 2624.13 413.117 14 -4 -3 -3 3509.08 375.120 13 -4 3 -3 3167.59 378.170 13 4 3 3 2609.33 342.292 6 4 -3 3 4022.15 342.672 12 4 -3 3 3133.40 368.967 2 4 3 3 3092.38 341.921 8 -4 -3 -4 107615. 2271.32 14 -4 3 -4 113779. 2071.79 13 -4 -3 -4 117236. 2009.20 13 4 3 4 108970. 1975.95 6 4 -3 4 117778. 2024.21 5 4 -3 4 111173. 1707.66 12 4 -3 4 113484. 1968.01 2 4 3 4 113850. 1811.18 8 -4 -3 -5 25229.3 1093.80 14 -4 -3 -5 25213.1 1005.27 13 -4 3 -5 24215.1 1028.40 13 4 3 5 23499.5 1011.66 6 4 -3 5 25610.4 1036.70 5 -4 -3 -5 21911.5 1206.40 11 -4 3 -5 23707.9 1222.92 11 4 3 5 24795.1 876.153 8 4 -3 5 24654.4 984.977 2 -4 -3 -6 131424. 2386.68 13 -4 3 -6 121882. 2395.30 13 -4 3 -6 115577. 2770.73 11 -4 -3 -6 107850. 2730.64 11 4 3 6 116178. 2203.85 2 4 -3 6 118754. 2222.50 2 4 -3 6 124949. 2448.53 5 4 3 6 119125. 2413.39 6 -4 3 -7 17638.6 1180.36 11 -4 -3 -7 15634.5 1142.72 11 4 -3 7 17205.4 1020.49 5 4 3 7 17088.4 1018.84 6 -4 3 -8 33280.7 1717.90 11 -4 -3 -8 32072.2 1715.45 11 4 3 8 32822.5 1497.28 6 4 -3 8 35542.1 1559.88 5 -4 -3 -9 3979.02 730.873 11 -4 3 -9 3414.33 688.637 11 4 3 9 4420.44 661.836 6 4 -3 9 3989.78 647.243 5 4 -4 -11 1032.39 644.277 3 -4 -4 11 1472.84 499.368 4 -4 4 11 1404.05 444.186 15 4 4 -11 1449.03 529.715 10 -4 4 11 1519.66 454.785 9 -4 -4 10 2328.75 532.316 4 -4 4 10 1446.01 458.054 15 -4 4 10 2010.01 419.882 1 4 4 -10 1860.77 473.215 10 4 -4 -10 2705.58 839.438 3 -4 -4 9 61811.8 1900.09 4 4 4 -9 58520.4 1933.63 3 -4 4 9 60106.5 1795.35 15 -4 -4 9 57253.1 1665.67 15 -4 4 9 55679.2 1675.13 1 4 4 -9 59873.0 2072.48 10 4 4 -9 58003.3 2411.69 7 -4 4 8 6096.33 565.885 1 -4 4 8 6571.76 616.160 15 -4 -4 8 5577.36 558.976 15 4 4 -8 6523.58 668.809 10 4 4 -8 5843.07 597.689 3 4 -4 -8 5970.70 1001.14 3 -4 -4 8 7238.78 668.475 4 4 4 -8 6861.45 820.342 7 -4 4 7 214121. 2951.51 1 -4 4 7 213609. 2967.82 15 -4 -4 7 203674. 2849.39 15 4 4 -7 215599. 3309.14 10 4 -4 -7 212910. 5212.60 3 4 4 -7 209824. 3009.59 3 -4 -4 7 216778. 2992.97 4 4 4 -7 210622. 3785.34 7 -4 4 6 5767.16 494.517 1 -4 4 6 5904.95 522.414 15 -4 -4 6 6446.49 543.450 15 4 4 -6 5150.93 508.679 10 4 4 -6 5903.40 473.193 3 4 -4 -6 7008.06 1061.38 3 4 4 -6 5819.51 633.915 7 -4 -4 6 6826.33 535.377 4 -4 4 5 214938. 2639.38 1 4 4 -5 219703. 3294.60 7 -4 -4 5 225299. 2634.08 4 -4 4 5 220385. 2672.55 15 -4 -4 5 215699. 2759.94 15 4 4 -5 218758. 2851.92 10 4 4 -5 219514. 2443.24 3 -4 4 4 1421.29 286.687 1 4 -4 -4 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1879.48 13 5 -5 1 99568.0 1901.37 12 5 -5 1 96812.2 1900.73 2 5 5 1 98470.1 1934.21 8 -5 -5 -2 203.256 361.631 14 5 5 2 441.289 225.126 6 5 -5 2 442.863 251.337 5 5 -5 2 1001.25 306.579 12 -5 5 -2 461.605 288.682 13 -5 -5 -2 291.378 267.336 13 5 5 2 1499.06 334.439 8 5 -5 2 535.948 290.623 2 -5 -5 -3 6790.05 783.234 14 -5 5 -3 8344.78 657.826 13 5 5 3 7772.52 571.146 6 5 -5 3 7203.89 574.115 5 -5 -5 -3 8533.15 644.931 13 5 -5 3 6705.61 560.092 12 5 -5 3 7296.69 603.423 2 5 5 3 7072.91 571.115 8 -5 -5 -4 3874.00 692.199 14 -5 5 -4 3843.19 527.185 13 5 5 4 3853.65 470.132 6 5 -5 4 4162.32 566.524 5 -5 -5 -4 3639.96 494.205 13 5 -5 4 4284.88 466.595 12 5 -5 4 3779.58 484.178 2 5 5 4 3484.74 447.881 8 -5 -5 -5 70227.6 2546.09 14 -5 5 -5 80297.2 2156.39 13 -5 5 -5 77097.9 2423.72 11 -5 -5 -5 66941.5 2358.84 11 5 5 5 76448.6 1962.34 6 5 -5 5 77960.7 2017.66 5 5 5 5 73390.2 1792.44 8 5 -5 5 73388.2 1932.08 2 5 5 6 2044.38 428.122 6 5 -5 6 3962.96 633.873 5 5 -5 6 2889.40 482.005 2 -5 5 -6 3255.40 603.555 11 -5 5 -6 3160.28 534.143 13 -5 -5 -6 3500.88 638.952 11 -5 5 -7 59370.9 2310.42 11 5 5 7 58314.1 1984.38 6 5 -5 7 62472.3 2090.03 5 5 -6 -10 1708.83 1146.06 3 -5 6 10 2229.66 474.970 1 -5 6 10 2764.34 550.491 15 5 6 -10 2211.97 540.158 10 -5 6 10 2485.07 498.885 9 5 -6 -9 6346.31 1579.88 3 -5 6 9 5891.38 665.265 1 -5 -6 9 5393.55 624.685 15 -5 6 9 5517.74 681.704 15 5 6 -9 6284.24 1060.92 7 5 6 -9 5063.49 683.607 10 -5 6 9 5792.86 600.927 9 5 -6 -8 45225.7 3627.52 3 -5 6 8 45021.6 1598.93 1 -5 -6 8 46831.2 1624.84 15 -5 6 8 49065.0 1696.76 15 5 6 -8 52287.6 2447.10 7 5 6 -8 47185.7 1808.62 10 -5 6 8 49361.6 1507.60 9 5 -6 -7 35329.9 3239.48 3 -5 6 7 33838.3 1323.55 1 -5 -6 7 30900.4 1278.55 15 -5 6 7 34189.2 1349.48 15 5 6 -7 36578.4 1844.18 7 5 6 -7 32512.3 1402.84 10 -5 6 7 34740.1 1160.71 9 -5 -6 6 117785. 2374.40 15 -5 6 6 124982. 2406.72 15 5 6 -6 128809. 3096.26 7 -5 6 6 126458. 2393.32 1 5 6 -6 122339. 2557.91 10 -5 -6 5 49331.3 1531.54 15 -5 6 5 47154.9 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5 2620.31 484.591 2 -6 5 -6 38643.9 1757.09 13 -6 5 -6 38437.4 2081.44 11 -6 -5 -6 32545.1 2059.87 11 6 -5 6 36204.9 1560.78 2 6 5 6 33875.2 1475.19 2 6 -5 6 37855.4 1623.75 5 6 5 6 37353.4 1607.72 6 -6 -6 9 9706.22 862.030 15 -6 6 9 12138.2 976.558 15 6 -6 -9 11173.8 1930.36 3 -6 6 9 10648.5 874.372 1 6 6 -9 12138.7 1348.15 7 -6 -6 8 10431.0 862.002 15 -6 6 8 11858.5 924.752 15 6 -6 -8 13286.9 2026.42 3 -6 6 8 10878.6 852.153 1 6 6 -8 13454.5 1273.65 7 -6 -6 7 77661.7 2150.82 15 -6 6 7 76374.0 2101.77 15 -6 6 7 79578.5 2116.74 1 6 6 -7 81030.8 2717.10 7 -6 -6 6 33494.8 1407.80 15 -6 6 6 32214.7 1320.80 15 -6 6 6 31875.5 1304.85 1 6 6 -6 33218.8 1627.31 7 -6 -6 5 130857. 2684.60 15 -6 6 5 136391. 2557.46 15 6 6 -5 135530. 3027.29 7 -6 6 5 133375. 2517.16 1 -6 6 4 28030.1 996.603 13 -6 -6 4 27424.7 1253.60 15 -6 6 4 29582.6 1166.17 15 6 6 -4 27998.9 1330.59 7 6 -6 -4 29220.2 1194.36 2 -6 6 4 27515.9 1125.56 1 -6 6 3 60240.8 1587.12 1 -6 -6 3 61545.8 1830.61 15 -6 6 3 59723.3 1566.97 15 6 -6 -3 59626.9 1652.65 2 6 6 -3 63891.9 1898.12 8 -6 6 3 57448.1 1460.33 13 -6 6 2 3084.17 412.056 1 -6 6 2 3007.32 410.213 13 -6 -6 2 4370.81 579.440 15 6 -6 -2 3422.69 478.490 2 6 6 -2 2624.50 472.145 8 -6 6 1 1826.35 320.202 1 -6 -6 1 1656.35 470.380 15 -6 6 1 2274.59 384.543 13 6 -6 -1 2264.21 409.048 2 6 6 -1 1497.39 386.636 8 -6 -6 0 12121.2 960.270 15 6 -6 0 10490.7 731.472 12 -6 6 0 10577.2 730.612 13 6 -6 0 10853.0 752.749 2 6 6 0 10451.6 755.606 8 -6 6 -1 74273.8 1897.96 13 6 -6 1 70405.0 1799.64 12 6 -6 1 72941.4 1890.74 2 6 6 1 73991.7 1894.81 8 -6 -6 -2 39529.8 1960.44 14 -6 6 -2 38887.4 1451.66 13 6 -6 2 42646.0 1396.89 5 6 -6 2 34839.5 1272.21 12 6 -6 2 35090.5 1361.06 2 6 6 2 35315.6 1326.51 8 -6 6 -3 98958.5 2375.97 13 6 -6 3 94518.3 2080.63 12 6 -6 3 94885.4 2272.57 2 6 6 3 94707.4 2184.01 8 -6 -6 -4 26733.3 2006.59 14 -6 6 -4 25051.6 1287.08 13 6 -6 4 26001.2 1230.83 5 6 6 4 23771.8 1123.67 6 6 6 4 24227.6 1147.40 8 6 -6 4 24660.1 1228.41 2 -6 6 -5 41015.4 2003.69 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32171.5 1315.59 2 7 1 2 33791.7 1345.14 2 7 -1 3 92.2335 319.633 2 7 1 3 417.101 355.065 2 -7 1 -3 1022.13 376.949 13 -7 -1 -3 202.928 344.721 13 -7 1 -4 3220.29 559.114 13 7 1 4 3558.89 550.003 2 7 -1 4 2427.27 474.317 2 -7 -1 -4 3013.60 536.477 13 7 -1 5 3467.36 579.831 2 7 1 5 3808.47 593.300 2 -7 -1 -5 3422.26 581.130 13 -7 1 -5 4206.06 635.791 13 7 1 6 23079.0 1309.23 2 7 -1 6 22743.7 1306.90 2 -7 1 -6 24947.5 1428.44 13 -7 -1 -6 22939.1 1371.70 13 7 -2 -9 2972.15 693.950 3 -7 2 9 4338.90 663.149 15 -7 -2 9 2447.11 512.272 15 7 2 -9 2460.07 629.114 7 7 -2 -8 14312.2 1279.74 3 -7 2 8 14835.9 1021.46 15 -7 -2 8 14561.8 1047.27 15 7 2 -8 13773.2 1117.47 7 -7 2 7 42590.5 1604.69 15 -7 -2 7 41390.8 1630.05 15 7 -2 -7 39919.4 1998.30 3 7 -2 -7 42375.9 1684.02 7 7 2 -7 44217.2 1825.40 7 -7 2 6 64690.5 1901.63 15 -7 -2 6 64188.4 1966.35 15 7 -2 -6 64884.6 2415.75 3 7 -2 -6 62694.9 1913.03 7 7 2 -6 65042.7 2090.12 7 -7 2 5 98614.0 2278.07 15 -7 -2 5 99718.8 2362.15 15 7 2 -5 100136. 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13 -8 3 2 67183.6 1812.19 13 8 -3 -2 69968.5 1941.67 2 8 3 -2 69236.8 1884.10 2 8 3 -1 33515.1 1319.77 7 8 -3 -1 31300.9 1338.47 2 8 3 -1 31530.3 1315.37 2 -8 -3 1 33057.2 1356.38 13 -8 3 1 32000.7 1306.09 13 8 -3 0 73576.6 2074.61 2 8 3 0 75177.0 2067.29 2 -8 3 0 75370.0 2067.94 13 -8 -3 0 75078.0 2054.28 13 -8 3 -1 22547.2 1197.82 13 -8 -3 -1 23457.2 1209.97 13 8 3 1 22291.5 1185.25 2 8 -3 1 20956.2 1163.13 2 -8 -3 -2 23109.7 1259.71 13 -8 3 -2 23554.5 1276.18 13 8 -3 2 22419.5 1240.37 2 8 3 2 24052.2 1280.23 2 -8 -3 -3 3480.60 604.400 13 8 3 3 3235.86 582.478 2 8 -3 3 2807.32 552.302 2 -8 3 -3 2987.31 552.909 13 8 -4 -8 502.688 536.663 3 -8 -4 7 36681.8 1679.64 15 -8 4 7 38300.1 1661.42 15 8 -4 -7 38566.7 2235.36 3 -8 4 7 37818.6 1613.01 1 8 4 -7 38018.0 1824.24 7 -8 -4 6 1879.13 548.565 15 -8 4 6 2106.76 515.713 15 8 -4 -6 1433.80 570.520 3 -8 4 6 2183.68 470.708 1 8 4 -6 1676.48 494.996 7 -8 -4 5 108808. 2763.20 15 -8 4 5 108647. 2591.83 15 8 -4 -5 108353. 3438.80 3 -8 4 5 104264. 2439.04 1 8 4 -5 102781. 2724.59 7 -8 -4 4 8144.89 828.413 15 -8 4 4 7049.86 715.270 15 8 4 -4 6111.80 693.917 7 8 -4 -4 7114.53 922.606 3 -8 4 4 6576.94 645.402 1 -8 -4 3 86159.3 2473.40 15 -8 4 3 77062.3 1908.91 13 8 4 -3 80314.9 2223.12 7 -8 -4 3 79783.7 2067.18 13 8 -4 -3 79379.3 2098.49 2 8 4 -3 79301.3 1990.24 2 -8 4 3 82038.6 2060.95 1 -8 -4 2 8152.50 863.856 15 -8 4 2 7168.75 645.824 13 8 4 -2 7191.34 679.446 7 -8 -4 2 6847.10 666.077 13 8 -4 -2 7586.38 712.844 2 8 4 -2 6982.11 662.466 2 -8 -4 1 8030.29 928.929 15 -8 4 1 6235.17 627.887 13 -8 -4 1 6003.54 645.969 13 8 4 -1 6530.96 647.600 7 8 -4 -1 6392.01 674.110 2 8 4 -1 6946.23 676.096 2 8 4 0 1420.39 373.862 7 -8 4 0 1122.49 401.565 13 -8 -4 0 1582.20 422.400 13 -8 -4 0 2771.21 713.787 15 8 -4 0 1390.65 428.065 2 8 4 0 994.599 382.160 2 8 4 1 17416.2 1058.04 2 -8 -4 -1 18211.5 1097.95 13 -8 4 -1 19140.3 1118.11 13 8 -4 1 17554.6 1090.95 2 8 4 1 17279.0 1025.36 8 8 -4 2 43.7802 335.965 2 8 4 2-51.7096 363.149 2 -8 4 -2 389.561 370.978 13 -8 -4 -2 429.832 400.096 13 -8 4 -3 51051.3 1950.12 13 -8 -4 -3 51669.7 1942.91 13 8 -4 3 46948.2 1847.12 2 8 4 3 48517.6 1855.86 2 -8 -5 7 969.399 479.967 15 -8 5 7 1402.25 499.010 15 8 -5 -7 680.274 534.681 3 -8 5 7 1140.88 446.725 1 -8 -5 6 15348.0 1122.99 15 -8 5 6 13830.1 1009.17 15 8 -5 -6 14966.4 1471.54 3 -8 5 6 13052.7 947.167 1 8 5 -6 13744.8 1097.19 7 -8 -5 5 559.584 490.513 15 -8 5 5 406.789 365.187 15 8 -5 -5 471.905 538.144 3 -8 5 5 488.575 331.399 1 8 5 -5 37.7209 312.050 7 -8 -5 4 9848.36 916.857 15 -8 5 4 8827.47 785.113 15 8 5 -4 9058.02 835.362 7 8 -5 -4 9044.26 1085.92 3 -8 5 4 8447.79 728.579 1 -8 -5 3 3305.12 620.336 15 8 5 -3 2297.72 470.562 7 -8 5 3 2883.02 448.404 13 8 -5 -3 2922.66 507.503 2 -8 5 3 2858.93 481.572 1 -8 5 2 83563.2 2082.97 13 8 5 -2 83072.0 2264.60 7 8 -5 -2 86003.2 2256.85 2 -8 -5 1 5224.98 805.198 15 -8 5 1 4803.16 580.018 13 8 5 -1 4178.51 562.269 7 -8 -5 1 4353.65 597.093 13 8 -5 -1 3826.24 556.054 2 8 5 -1 4233.99 614.081 8 -8 5 0 109276. 2536.17 13 8 5 0 106221. 2457.47 7 -8 -5 0 111985. 2650.17 13 8 -5 0 101430. 2505.71 2 8 5 0 104417. 2517.77 8 -8 5 -1 1266.49 440.708 13 -8 -5 -1 2097.90 491.312 13 8 5 1 1582.31 436.263 8 -8 -5 -1 2556.93 798.545 14 8 -5 1 1393.28 444.214 2 8 5 1 1529.81 432.786 2 -8 -5 -2 34825.3 1607.02 13 8 -5 2 32814.3 1522.05 2 8 5 2 34103.6 1552.41 2 -8 5 -2 35510.2 1577.84 13 -8 6 7 22162.8 1306.15 15 -8 -6 6 15095.5 1132.85 15 -8 6 6 15461.2 1081.51 15 8 -6 -6 17173.8 1664.41 3 -8 6 6 14121.8 1010.21 1 8 6 -6 14758.4 1157.96 7 -8 -6 5 63062.7 2175.66 15 -8 6 5 64372.6 2048.97 15 8 -6 -5 68672.4 3054.25 3 -8 6 5 66498.2 2030.30 1 8 6 -5 61120.0 2200.87 7 -8 -6 4 22887.3 1332.15 15 8 6 -4 22518.9 1305.44 7 8 -6 -4 21732.6 1647.31 3 -8 6 4 21595.9 1149.36 1 -8 6 3 53042.4 1658.28 13 -8 -6 3 57741.5 2103.13 15 8 6 -3 53975.5 1930.28 7 8 -6 -3 52441.3 1836.10 2 -8 6 3 56301.1 1769.90 1 8 6 -2 7043.61 737.713 7 8 -6 -2 7575.23 747.424 2 -8 6 2 7451.13 692.298 13 -8 -6 2 9127.17 949.526 15 -8 6 1 7337.97 715.641 13 8 -6 -1 7546.28 754.567 2 8 6 -1 7820.38 785.653 8 -8 6 0 1158.90 410.492 13 8 6 0 1042.74 417.807 8 8 -6 0 554.532 363.592 2 -8 -6 0 1304.75 569.632 14 -8 -6 -1 7706.75 1126.70 14 8 -6 1 6388.07 717.743 2 8 6 1 6447.56 701.698 8 -8 6 -1 6640.05 715.850 13 8 -6 2 11063.9 932.216 2 8 6 2 11071.2 877.143 8 -8 6 -2 11800.8 977.012 13 -8 7 6 4583.03 665.318 15 8 -7 -6 5891.41 1146.57 3 -8 7 6 4194.37 625.545 1 -8 -7 5 933.679 465.732 15 -8 7 5 140.229 383.187 15 8 -7 -5 1131.53 651.049 3 -8 7 5 616.434 334.247 1 8 7 -5 306.616 331.404 7 -8 -7 4 1798.28 569.841 15 8 7 -4 2009.26 516.559 7 8 -7 -4 2422.66 721.971 3 -8 7 4 1399.95 411.717 1 -8 7 3 25798.9 1213.73 13 -8 -7 3 28646.4 1532.81 15 8 7 -3 25584.2 1382.93 7 8 -7 -3 26045.1 1335.86 2 -8 7 3 27796.9 1288.89 1 -8 7 2 19301.7 1089.94 13 -8 -7 2 22024.8 1405.98 15 8 7 -2 19738.4 1189.78 7 8 -7 -2 19518.8 1169.19 2 8 7 -2 20303.5 1232.73 8 8 -7 -1 46347.3 1775.29 2 8 7 -1 45630.3 1807.71 8 -8 7 1 50792.8 1776.41 13 -8 -7 0 31248.1 1843.43 14 8 -7 0 27180.5 1390.60 2 8 7 0 26274.7 1360.29 8 -8 7 0 27312.4 1354.07 13 8 -7 1 24909.4 1341.74 2 -8 7 -1 24730.1 1346.03 13 8 7 1 25373.6 1334.50 8 8 7 2 11607.2 925.673 8 -8 -7 -2 15593.3 1702.83 14 -8 8 5 8122.47 797.623 1 -8 -8 4 54410.8 2098.53 15 8 8 -4 51340.6 2043.63 7 8 -8 -4 57228.7 2803.68 3 -8 8 4 51708.7 1823.39 1 -8 8 3 8696.65 768.154 13 -8 -8 3 10567.7 1029.42 15 8 8 -3 9759.42 914.037 7 8 -8 -3 8839.14 846.436 2 -8 8 3 9043.90 798.062 1 -8 8 2 15319.8 1007.67 13 -8 -8 2 16176.8 1232.01 15 8 -8 -2 14972.7 1063.92 2 8 8 -2 14885.8 1110.44 8 -8 8 1 1547.98 447.928 13 -8 -8 1 1948.19 583.486 14 8 8 -1 2063.95 514.480 8 8 -8 -1 2089.35 507.225 2 -8 8 0 1583.41 456.822 13 8 8 0 1363.86 461.740 8 8 -8 0 2399.75 525.474 2 -8 -8 0 1157.89 587.572 14 8 8 1 516.222 352.434 8 -8 -8 -1 529.406 582.006 14 -8 9 4 2146.96 512.598 1 8 -9 -3 22914.2 1325.55 2 -8 9 3 19596.7 1140.01 13 8 -9 -2 594.305 431.664 2 -8 9 2 258.611 337.476 13 8 -9 -1 58276.5 2080.64 2 -8 9 1 56573.5 1981.36 13 -9 0 6 235.038 446.312 15 9 0 -6-196.425 355.779 7 -9 0 5 69938.6 2274.54 15 9 0 -5 69557.7 2195.05 7 -9 0 4 467.683 422.055 15 9 0 -4 836.229 350.407 7 -9 0 3 64588.1 1885.49 13 9 0 -3 66413.2 1967.49 7 9 0 -3 64905.8 1965.75 2 9 0 -2 66.0594 313.049 2 -9 0 2 65.9870 312.964 13 9 0 -1 14775.0 999.127 2 -9 0 1 13332.9 942.554 13 9 0 0 260.196 362.845 2 -9 0 0-40.9856 363.274 13 9 0 1 2782.16 535.429 2 -9 0 -1 2674.26 527.340 13 9 1 -6 19060.3 1234.86 7 9 -1 -6 17941.1 1170.18 7 -9 -1 6 17866.2 1223.15 15 -9 1 6 17622.3 1197.75 15 9 -1 -5 305.209 324.239 7 9 1 -5 557.043 359.313 7 -9 1 5 115.573 413.203 15 -9 -1 5-21.4121 411.731 15 9 -1 -4 2082.99 437.766 7 9 1 -4 2004.98 436.461 7 -9 1 4 1816.19 526.409 15 -9 -1 4 1867.22 529.010 15 9 1 -3 3627.41 530.787 7 -9 -1 3 4588.26 686.577 15 9 1 -3 3504.27 527.423 2 9 -1 -3 3551.78 554.985 2 -9 1 3 3844.76 519.468 13 -9 -1 3 3467.38 515.804 13 9 -1 -2 45798.9 1700.70 2 9 1 -2 48108.5 1713.49 2 -9 -1 2 46575.2 1666.14 13 -9 1 2 47331.5 1663.40 13 9 -1 -1 7077.87 742.996 2 9 1 -1 10006.6 857.243 2 -9 -1 1 8279.93 772.631 13 -9 1 1 9534.62 811.547 13 9 -1 0 73076.1 2210.55 2 9 1 0 71021.0 2185.80 2 -9 -1 0 73871.9 2211.78 13 -9 1 0 77747.4 2241.97 13 9 -1 1 7053.44 772.586 2 9 1 1 6921.88 761.057 2 -9 -1 -1 6627.62 750.082 13 -9 1 -1 7305.60 784.166 13 9 2 -6 18768.0 1245.03 7 9 -2 -6 18646.1 1180.79 7 -9 2 6 19507.5 1264.11 15 9 2 -5 48549.3 1895.01 7 9 -2 -5 47600.6 1781.19 7 -9 -2 5 50734.6 1994.45 15 -9 2 5 52863.1 1951.71 15 9 2 -4 34847.8 1553.53 7 -9 -2 4 34474.8 1650.47 15 -9 2 4 33975.2 1569.24 15 9 -2 -4 32487.8 1400.34 7 9 2 -3 49012.6 1755.91 7 -9 -2 3 50086.6 1707.64 13 -9 2 3 50483.2 1679.40 13 9 -2 -3 48714.6 1738.48 2 9 2 -3 49085.7 1712.48 2 -9 -2 2 17795.9 1268.05 15 -9 -2 2 16727.5 1028.52 13 -9 2 2 18986.1 1089.81 13 9 2 -2 16811.6 1049.02 2 9 -2 -2 15201.6 1016.43 2 9 2 -2 18223.4 1050.08 7 -9 2 1 9513.96 821.337 13 -9 -2 1 9334.04 819.468 13 9 2 -1 9401.51 841.479 2 9 -2 -1 9519.64 857.431 2 9 -2 0 27.7140 327.423 2 9 2 0 388.915 375.577 2 -9 2 0 490.204 393.489 13 -9 -2 0 275.156 351.967 13 -9 3 6 8260.05 882.001 15 9 3 -5 3021.81 555.832 7 -9 -3 5 3444.15 642.988 15 -9 3 5 3331.42 629.935 15 -9 3 5 2996.91 507.625 1 9 3 -4 346.767 349.648 7 -9 3 4 68.1112 304.061 1 -9 -3 4 75.0573 409.314 15 -9 -3 3 18688.6 1273.09 15 -9 3 3 16823.9 992.880 13 9 3 -3 16442.8 1070.14 7 -9 -3 3 17182.9 1027.13 13 9 3 -3 16824.7 1037.82 2 9 -3 -3 15968.8 1047.73 2 -9 -3 2 7628.84 906.570 15 9 3 -2 6176.10 670.935 7 -9 3 2 6206.06 668.335 13 -9 -3 2 6454.82 685.740 13 9 -3 -2 6577.53 730.514 2 9 3 -2 6906.25 699.307 2 -9 -3 1 58689.9 1952.48 13 -9 3 1 59649.3 1944.82 13 9 -3 -1 60659.4 2027.43 2 9 3 -1 60054.4 1973.52 2 -9 -3 0 14847.8 1033.83 13 -9 3 0 14298.5 1010.65 13 9 3 0 14311.2 1022.96 2 9 -3 0 13166.7 997.919 2 -9 -4 5 1842.87 571.788 15 -9 4 5 1740.34 511.882 15 -9 4 5 1713.74 455.782 1 9 -4 -5 1286.97 504.881 3 9 4 -5 1965.43 493.909 7 -9 -4 4 78855.6 2501.46 15 9 4 -4 74964.6 2339.73 7 -9 4 4 74791.3 2145.16 1 9 -4 -4 69186.7 2626.49 3 -9 -4 3 2312.76 580.108 15 9 4 -3 1592.93 450.421 7 -9 4 3 1658.17 413.342 13 9 -4 -3 2391.01 503.802 2 9 4 -3 1604.20 421.990 2 9 -4 -3 2247.77 607.425 3 -9 4 2 35705.0 1476.28 13 -9 -4 2 35593.8 1526.30 13 9 4 -2 35324.7 1529.89 7 9 -4 -2 33289.9 1509.88 2 9 4 -2 34861.5 1491.42 2 -9 4 1 895.882 382.771 13 -9 -4 1 1281.38 431.090 13 9 -4 -1 755.246 387.555 2 9 4 -1 1207.55 445.810 2 -9 4 0 1256.97 416.728 13 -9 -4 0 1211.45 446.126 13 9 -4 0 714.754 361.247 2 9 4 0 2030.12 494.699 2 9 -5 -5 3447.15 754.548 3 -9 -5 4 1302.47 540.618 15 9 5 -4 967.309 383.111 7 -9 5 4 911.571 363.802 1 9 -5 -4 1195.54 563.707 3 -9 -5 3 11379.1 1045.91 15 9 5 -3 9898.22 883.758 7 -9 5 3 9948.89 805.192 13 9 5 -3 9999.23 820.925 2 9 -5 -3 9009.08 1024.44 3 9 -5 -3 9834.71 866.011 2 9 5 -2 2129.09 474.663 7 -9 5 2 2956.20 528.252 13 9 5 -2 2868.51 517.054 2 9 -5 -2 2466.40 516.948 2 -9 -5 2 3998.62 748.507 15 -9 5 1 42312.9 1674.41 13 9 -5 -1 41232.6 1723.24 2 9 5 -1 42340.1 1688.91 2 9 5 -1 39464.9 1597.68 7 -9 -5 0 2671.84 762.899 14 -9 6 4 48230.4 1781.89 1 9 6 -3 8990.24 782.932 2 -9 6 3 9053.57 783.027 13 -9 6 2 25258.6 1284.32 13 9 6 -2 24871.1 1349.56 7 9 6 -2 24439.7 1291.89 2 9 -6 -2 26816.6 1418.49 2 9 6 -1 976.281 388.942 7 0 0 0 0.00 0.00 0 TITL MIE_100K in P2(1)/n REM P2(1)/n (#14 in standard setting) CELL 0.71073 5.827190 10.134828 7.202839 90.0000 102.7107 90.0000 ZERR 8.00 0.000153 0.000246 0.000191 0.0000 0.0026 0.0000 LATT 1 SYMM -x+1/2, y+1/2,-z+1/2 SFAC C H I UNIT 16.00 40.00 8.00 TREF HKLF 4 END ; _shelx_hkl_checksum 78951 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_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group I1 I 0.22129(2) 0.94457(2) 0.80560(2) 0.02005(6) Uani 1 1 d . . . . . C1 C -0.1211(3) 0.85589(19) 0.7069(3) 0.0232(4) Uani 1 1 d . . . . . H11 H -0.241552 0.922316 0.704706 0.028 Uiso 1 1 calc R U . . . H12 H -0.134945 0.824167 0.577842 0.028 Uiso 1 1 calc R U . . . C2 C -0.1618(3) 0.74322(18) 0.8313(3) 0.0210(4) Uani 1 1 d . . . . . H21 H -0.316456 0.707785 0.784332 0.032 Uiso 1 1 calc R U . . . H22 H -0.148153 0.774193 0.959194 0.032 Uiso 1 1 calc R U . . . H23 H -0.046697 0.675675 0.829797 0.032 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 I1 0.01578(7) 0.02131(8) 0.02392(8) -0.00155(4) 0.00623(5) -0.00325(4) C1 0.0162(8) 0.0251(10) 0.0255(9) 0.0031(7) -0.0018(7) -0.0039(7) C2 0.0180(8) 0.0165(8) 0.0278(9) -0.0007(7) 0.0031(7) -0.0018(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 '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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 C1 I1 112.04(11) . . ? C2 C1 H11 109.2 . . ? I1 C1 H11 109.2 . . ? C2 C1 H12 109.2 . . ? I1 C1 H12 109.2 . . ? H11 C1 H12 107.9 . . ? C1 C2 H21 109.5 . . ? C1 C2 H22 109.5 . . ? H21 C2 H22 109.5 . . ? C1 C2 H23 109.5 . . ? H21 C2 H23 109.5 . . ? H22 C2 H23 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag I1 C1 2.1612(18) . ? C1 C2 1.502(3) . ? C1 H11 0.9700 . ? C1 H12 0.9700 . ? C2 H21 0.9600 . ? C2 H22 0.9600 . ? C2 H23 0.9600 . ? _cod_database_fobs_code 2109086