#------------------------------------------------------------------------------ #$Date: 2024-10-31 04:58:58 +0200 (Thu, 31 Oct 2024) $ #$Revision: 295687 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/26/2312673.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_2312673 loop_ _publ_author_name 'Steinke, Tim' 'Engelage, Elric' 'Huber, Stefan M.' _publ_section_title ; Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors. ; _journal_coeditor_code QW3003 _journal_issue 'Pt 2' _journal_name_full 'Acta crystallographica. Section C, Structural chemistry' _journal_page_first 26 _journal_page_last 35 _journal_paper_doi 10.1107/S2053229622011536 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac 'C24 H24 N4 S2 2+, 2C F3 O3 S -' _chemical_formula_moiety 'C24 H24 N4 S2 2+, 2(C F3 O3 S -)' _chemical_formula_sum 'C26 H24 F6 N4 O6 S4' _chemical_formula_weight 730.73 _chemical_name_systematic '3,3'-Bis(methylsulfanyl)-1,1'-(1,3-phenylene)bis(1H-1,3-benzodiazol-3-ium) bis(trifluoromethanesulfonate)' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2017/1 _cell_angle_alpha 90 _cell_angle_beta 99.329(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.7776(2) _cell_length_b 22.5823(6) _cell_length_c 18.2338(5) _cell_measurement_reflns_used 5564 _cell_measurement_temperature 170(2) _cell_measurement_theta_max 66.5 _cell_measurement_theta_min 3.1 _cell_volume 3160.16(15) _computing_cell_refinement ; CrysAlis PRO (Rigaku OD, 2018) ; _computing_data_collection ; CrysAlis PRO (Rigaku OD, 2018) ; _computing_data_reduction ; CrysAlis PRO (Rigaku OD, 2018) ; _computing_molecular_graphics ; DIAMOND (Putz & Brandenburg, 2014) and Mercury (Macrae et al., 2020) ; _computing_publication_material ; WinGX (Farrugia, 2012) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) and shelXle (H\"ubschle et al., 2011) ; _diffrn_ambient_temperature 169.99(10) _diffrn_detector 'CCD plate' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Rigaku XtaLAB Synergy Dualflex diffractometer with a HyPix detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0425 _diffrn_reflns_av_unetI/netI 0.0366 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 21606 _diffrn_reflns_theta_full 66.499 _diffrn_reflns_theta_max 66.499 _diffrn_reflns_theta_min 3.140 _diffrn_source 'micro-focus sealed X-ray tube' _exptl_absorpt_coefficient_mu 3.511 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.57899 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlis PRO; Rigaku OD, 2018) ; _exptl_crystal_colour 'translucent white' _exptl_crystal_density_diffrn 1.536 _exptl_crystal_description needle _exptl_crystal_F_000 1496 _exptl_crystal_size_max 0.134 _exptl_crystal_size_mid 0.055 _exptl_crystal_size_min 0.030 _refine_diff_density_max 0.685 _refine_diff_density_min -0.390 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.094 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 419 _refine_ls_number_reflns 5564 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.094 _refine_ls_R_factor_all 0.0834 _refine_ls_R_factor_gt 0.0730 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0868P)^2^+6.2578P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1981 _refine_ls_wR_factor_ref 0.2053 _reflns_number_gt 4631 _reflns_number_total 5564 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file qw3003.cif _cod_data_source_block ts-049_3S _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 2312673 _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_hkl_file ; 0 0 -1 105.963 12.9261 1 0 0 -2 2476.07 101.480 1 0 0 -3 267.806 41.7163 1 0 0 3 238.183 20.9581 26 0 0 -4 9348.92 369.702 1 0 0 4 9574.20 355.146 26 0 0 -5 698.274 84.1015 1 0 0 5 626.542 48.0365 26 0 0 6 13691.0 517.061 26 0 0 -6 14895.1 540.070 1 0 0 -7 261.947 63.2111 1 0 0 -8 67839.3 2530.36 1 0 0 -9 378.986 78.9155 1 0 0 -10 6217.78 280.542 1 0 0 -11 608.110 95.2075 1 0 0 -12 149.422 42.3185 27 0 0 -12 249.207 87.2667 1 0 0 -13 740.187 108.049 1 0 0 13 407.300 56.9931 25 0 0 14 6358.18 253.995 25 0 0 -14 6018.54 307.014 1 0 0 15 2.36596 52.0017 25 0 0 16 8890.42 350.688 25 0 0 17 115.181 50.3670 25 0 0 18 443.849 57.0603 25 0 0 19 54.7512 45.4508 25 0 0 20 38.4859 41.5054 25 0 0 -21-0.64436 29.4756 20 0 0 21 20.6423 35.4552 25 0 0 -22-3.22413 23.1228 20 0 1 -1 297.847 20.8622 1 0 1 -2 49739.2 1837.91 1 0 1 -3 17489.2 657.165 1 0 -1 -4 29863.1 1182.64 1 0 1 -4 31935.9 1185.16 1 0 1 4 32404.0 1173.11 26 0 1 5 5123.71 200.817 26 0 -1 -5 4903.60 217.230 1 0 1 -5 5342.09 220.111 1 0 1 6 15158.3 573.106 26 0 -1 -6 15367.3 590.301 1 0 1 -6 15865.0 593.339 1 0 -1 -7 5268.66 229.238 1 0 1 -7 5627.46 232.685 1 0 1 7 5160.73 206.030 26 0 -1 -8 4912.62 224.188 1 0 1 -8 5045.64 227.611 1 0 -1 -9 3701.16 184.442 1 0 1 -9 3634.23 185.338 1 0 -1 -10 16640.4 663.175 1 0 1 -10 16818.4 665.767 1 0 -1 -11 4072.16 210.208 1 0 1 -11 4292.67 215.258 1 0 1 -12 553.819 96.5955 1 0 -1 -12 577.966 93.4569 1 0 1 -12 570.425 58.7436 27 0 1 13 1842.08 94.4548 25 0 -1 13 1736.39 93.5395 25 0 1 -13 1932.17 147.191 1 0 -1 -13 1971.24 144.764 1 0 1 14 596.423 63.1245 25 0 -1 -14 606.123 111.151 1 0 -1 14 656.892 63.9117 25 0 -1 15 58.5195 51.7540 25 0 1 15 131.427 53.8250 25 0 -1 -15 189.999 96.3062 1 0 -1 16 525.559 63.8395 25 0 1 16 435.028 62.9056 25 0 -1 17 12.3736 48.2685 25 0 1 17 6.31022 50.0807 25 0 1 18 990.494 72.4896 25 0 -1 18 932.906 71.4715 25 0 -1 19 165.526 47.7940 25 0 1 19 138.273 48.1834 25 0 1 20-51.5622 41.4870 25 0 -1 20-42.0318 41.4623 25 0 1 21-4.97230 36.4231 25 0 -1 -21 6.36018 29.2999 20 0 -1 21 47.0754 34.9573 25 0 -1 -22 81.0443 23.8476 20 0 2 0 7117.65 265.454 27 0 2 1 1448.92 57.5419 27 0 2 -2 57582.0 2119.35 26 0 2 -3 859.702 59.9222 1 0 2 4 671.024 57.5720 26 0 2 -4 566.185 69.3682 1 0 2 -5 1370.23 89.2923 1 0 2 5 1013.21 68.3966 26 0 -2 -6 21530.0 816.936 1 0 2 -6 20762.3 819.679 1 0 2 6 21798.7 802.688 26 0 2 -7 63.6992 66.5154 1 0 2 7 112.447 44.5871 26 0 -2 -7 183.498 59.7823 1 0 2 -8 1316.03 99.1460 1 0 -2 -8 1139.61 92.0956 1 0 2 -9 3213.38 172.112 1 0 -2 -9 3264.31 168.707 1 0 2 -10 6525.27 296.105 1 0 -2 -10 6554.03 291.956 1 0 -2 -11 151.307 77.5372 1 0 2 -11 183.066 82.1528 1 0 2 -12 1709.75 103.066 27 0 -2 -12 2015.56 138.814 1 0 -2 -13 1303.25 120.917 1 0 -2 13 1091.11 70.1671 25 0 -2 -14 1596.25 140.446 1 0 -2 14 1671.91 91.4009 25 0 -2 -15 577.349 104.682 1 0 -2 15 512.488 59.3226 25 0 -2 16 1004.64 72.7184 25 0 -2 17 116.052 50.8022 25 0 -2 18 635.161 60.6322 25 0 -2 19 308.057 49.6788 25 0 -2 20 106.821 41.0930 25 0 -2 21 36.1754 34.7356 25 0 -2 -21 69.9459 29.9344 20 0 -2 -22 31.3073 22.4814 20 0 3 0-66.3721 23.3503 27 0 3 1 2904.41 113.747 27 0 3 -2 9944.58 370.468 26 0 3 -3 18645.6 689.193 26 0 3 4 219.009 55.6690 26 0 3 5 13748.4 531.445 26 0 3 -5 14827.4 546.418 1 0 3 -6 631.873 74.1739 1 0 3 6 592.106 56.2325 26 0 3 -7 5007.41 218.378 1 0 3 7 4901.25 195.931 26 0 3 8 27421.3 1055.89 26 0 3 -8 30118.8 1081.26 1 0 -3 -8 28382.4 1073.90 1 0 -3 -9 11118.7 426.044 1 0 3 -9 11654.6 433.625 1 0 -3 -10 184.602 71.3802 1 0 -3 -11 288.316 86.0832 1 0 3 -11 309.215 57.7316 27 0 -3 -12 1139.45 112.153 1 0 3 -12 908.522 77.2372 27 0 3 -13 216.671 61.1464 27 0 -3 13 342.863 51.0426 25 0 -3 -13 389.270 93.6679 1 0 3 13 277.197 52.8540 25 0 -3 -14 362.120 101.913 1 0 -3 14 333.364 55.3656 25 0 -3 -15 532.476 116.338 1 0 -3 15 611.864 63.3177 25 0 -3 -16 1228.56 140.860 1 0 -3 16 1652.88 89.8642 25 0 -3 -17 1003.13 122.897 7 0 3 -17 965.539 125.304 7 0 -3 17 1149.01 74.7467 25 0 -3 18 423.165 53.8121 25 0 -3 19 669.646 58.5626 25 0 3 20 43.9418 41.6546 25 0 -3 20 30.4371 39.1599 25 0 3 21 39.4005 35.7555 25 0 -3 21 22.6846 34.2256 25 0 3 -21 55.3746 29.7274 20 0 -3 -21-32.6322 28.8587 20 0 3 -22 193.098 20.4595 16 0 -3 -22 182.088 24.8686 20 0 3 -22 219.508 26.1689 20 0 4 0 191836. 7060.80 27 0 4 1 29929.7 1107.45 27 0 4 -2 389.487 35.8542 26 0 4 -3 621.760 43.7953 26 0 4 -4 451.655 36.6613 26 0 4 4 551.086 67.9882 26 0 4 5 572.368 59.1190 26 0 4 6 8041.43 315.405 26 0 4 7 5968.04 243.820 26 0 -4 -8 1375.47 98.6471 1 0 4 8 1205.75 84.7862 26 0 4 9 20002.1 777.037 26 0 -4 -9 21423.1 797.300 1 0 -4 -10 871.930 93.3313 1 0 -4 -11 13469.1 516.804 1 0 4 -11 11856.9 492.064 27 0 4 12 78.6330 45.4169 25 0 4 -12 89.7758 56.7477 27 0 -4 12 75.9192 41.6485 25 0 -4 -12 30.6384 82.5097 1 0 4 13 218.973 51.8092 25 0 -4 13 204.559 47.2473 25 0 4 -13 210.038 62.0369 27 0 -4 -13 174.745 88.4402 1 0 4 14 3123.33 139.872 25 0 -4 -14 2908.17 190.767 1 0 4 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2296.44 138.296 1 0 5 10 1973.36 118.188 26 0 -5 -11 434.486 89.6294 1 0 5 -11 496.199 68.4416 27 0 5 12 81.2142 45.2384 25 0 -5 12 131.282 41.7342 25 0 5 -12 55.3169 57.2960 27 0 -5 -12-3.87374 82.0982 1 0 5 13 1498.19 84.8890 25 0 -5 13 1503.36 81.2024 25 0 -5 -13 1405.57 130.811 1 0 5 -13 1280.74 104.440 27 0 5 -14 1298.86 107.954 27 0 -5 -14 1420.08 137.149 1 0 5 14 1406.85 86.4148 25 0 -5 14 1572.82 83.5508 25 0 -5 15 3338.41 145.573 25 0 5 15 3135.28 147.511 25 0 -5 -15 3056.15 205.985 1 0 -5 16 250.265 50.8198 25 0 5 16 272.279 54.3877 25 0 -5 17 29.9163 44.6899 25 0 5 17 29.9854 49.4705 25 0 -5 18 4.75805 41.4677 23 0 5 18 29.5165 46.7165 25 0 -5 18 74.8969 44.7235 25 0 5 -18 18.3988 30.6250 4 0 5 -19 278.385 34.5351 4 0 -5 19 386.551 49.9334 25 0 5 19 425.219 52.1539 25 0 5 20 5.51639 40.0152 25 0 5 -20 38.1136 32.8196 20 0 -5 20-3.35484 37.6128 25 0 -5 -20 39.7432 31.6607 20 0 -5 -21 72.8409 27.0034 20 0 5 -21 67.7238 27.9416 20 0 5 -22 13.0761 17.8155 20 0 5 -22-3.70545 16.2932 16 0 6 0 187.809 41.5024 27 0 6 -1 27220.9 978.163 27 0 6 -1 26657.2 977.670 26 0 6 1 25050.3 975.201 27 0 6 -2 2508.78 108.646 26 0 6 2 2182.71 101.448 27 0 6 3 29116.4 1135.34 26 0 6 -3 31217.8 1129.05 26 0 6 4 6011.34 252.559 26 0 6 -4 6363.82 241.752 26 0 6 -5 6788.61 260.455 26 0 6 5 6896.66 276.595 26 0 6 6 200.144 67.4525 26 0 6 7 1325.58 93.1095 26 0 6 8 1074.20 90.3677 26 0 6 9 1808.99 116.752 26 0 -6 -9 2166.62 130.819 1 0 -6 -10 624.671 87.0044 1 0 6 -10 467.719 66.1726 27 0 6 10 594.631 80.5274 26 0 -6 -11 4789.18 226.664 1 0 6 11 4249.30 178.067 25 0 -6 11 4379.25 176.384 25 0 6 -11 4273.96 205.100 27 0 -6 -12 3593.17 211.119 1 0 6 12 3949.32 165.039 25 0 6 -12 3678.79 191.802 27 0 -6 12 4041.15 163.254 25 0 6 13 1617.40 90.5115 25 0 -6 -13 1434.31 138.145 1 0 -6 13 1678.54 86.9526 25 0 6 -13 1599.25 116.920 27 0 -6 14 568.173 56.5703 25 0 6 -14 455.892 82.0592 27 0 -6 -14 426.931 104.074 1 0 6 14 456.618 59.0044 25 0 6 15 20.6998 50.4270 25 0 -6 -15 86.3682 87.5779 1 0 -6 15 105.153 46.7243 25 0 6 16 342.108 55.9438 25 0 -6 -16 157.007 87.3873 7 0 -6 -16 198.840 91.5806 1 0 -6 16 333.328 52.0891 25 0 6 -16 121.255 87.0343 7 0 6 -17 143.245 34.7994 4 0 -6 17 149.494 46.3204 25 0 6 17 215.689 51.1771 25 0 6 18 134.198 49.0668 25 0 -6 18 206.829 46.2067 25 0 -6 18 150.397 46.3284 23 0 6 -18 120.789 32.2242 4 0 -6 19 67.9745 35.6710 23 0 -6 19 7.45482 39.9537 25 0 6 19 26.8302 43.7427 25 0 6 -20 405.565 39.3255 20 0 6 20 393.031 47.6830 25 0 -6 20 423.837 44.7798 25 0 -6 -20 432.113 37.9546 20 0 -6 -21 362.518 31.1714 20 0 6 -21 353.858 32.1446 20 0 6 -22 70.7732 16.7581 16 0 7 0 41.5059 38.6729 27 0 7 1 20325.6 778.848 27 0 7 -1 21050.4 781.457 27 0 7 -1 21090.3 780.988 26 0 7 -2 148.509 47.8923 26 0 7 -2 183.849 43.7854 27 0 7 2 182.969 58.7608 26 0 7 2 228.162 39.0816 27 0 7 -2 172.717 23.2835 7 0 7 3 10790.1 434.627 26 0 7 -3 11513.5 427.674 26 0 7 -4 3283.76 136.662 26 0 7 4 3133.76 150.252 26 0 7 5 813.458 81.4154 26 0 7 -5 731.148 53.7371 26 0 7 6 24005.6 909.960 26 0 7 7 8281.08 338.396 26 0 7 8 3334.51 167.559 26 0 7 -9 312.590 62.5872 27 0 -7 -9 409.204 81.3228 1 0 7 9 345.407 81.0223 26 0 7 -10 829.500 85.1334 27 0 -7 10 1093.14 56.8709 25 0 7 10 826.518 96.4089 26 0 -7 -10 890.324 104.492 1 0 7 10 802.331 58.4936 25 0 -7 -11 961.023 108.681 1 0 7 11 979.500 65.6755 25 0 7 -11 1180.30 94.7632 27 0 -7 11 1064.72 62.7575 25 0 7 -12 3589.95 186.830 27 0 -7 12 3679.15 152.590 25 0 7 12 3539.53 155.265 25 0 -7 -12 3597.63 207.466 1 0 -7 -13 35.3749 86.1724 1 0 -7 13 49.6059 44.1597 25 0 7 -13 106.312 69.5098 27 0 7 13 119.793 49.5457 25 0 -7 14 3155.51 134.814 25 0 7 -14 2737.52 170.104 27 0 7 14 2991.75 137.726 25 0 -7 -14 2638.89 190.200 1 0 -7 -15 663.369 116.375 1 0 -7 15 1049.22 68.8778 25 0 7 15 1139.36 73.3427 25 0 7 -15 803.391 95.8061 27 0 7 -16 644.273 104.048 7 0 -7 -16 397.103 94.2452 7 0 7 16 640.892 61.1136 25 0 -7 16 611.684 56.8269 25 0 7 -16 589.672 46.5856 4 0 -7 17 33.1084 44.4672 25 0 7 17-15.4659 48.2344 25 0 7 -17 2.39227 30.8407 4 0 7 -18 78.1271 29.6673 4 0 -7 18 127.766 43.7928 25 0 7 18 129.092 46.8103 25 0 -7 19 77.1565 39.4415 25 0 7 19 81.2018 43.5504 25 0 -7 -19 27.7169 33.6859 20 0 -7 19 7.67103 37.4482 23 0 -7 20 29.9447 33.9416 25 0 7 -20 31.6810 26.3061 2 0 -7 -20 2.30154 28.4522 20 0 7 -20 64.3256 30.2294 20 0 7 20 58.5826 37.8496 25 0 -7 -21 145.287 23.6620 20 0 8 0 6355.06 263.362 26 0 8 0 6666.27 260.312 27 0 8 -1 1651.66 87.5460 27 0 8 1 1588.83 84.7715 27 0 8 -1 1672.81 92.1254 26 0 8 2 18675.0 652.167 26 0 8 2 18477.9 644.983 27 0 -8 2 16116.4 630.616 6 0 8 -2 19048.7 647.117 26 0 -8 -2 16691.9 631.397 7 0 8 -2 19439.1 650.396 27 0 8 -3 694.137 59.7657 27 0 8 -3 682.676 60.3761 26 0 8 3 593.926 74.3249 26 0 8 4 13462.4 540.752 26 0 8 -4 14311.5 539.604 27 0 8 -4 14069.2 530.841 26 0 8 -5 11549.6 433.993 27 0 8 5 11174.5 436.670 26 0 8 -5 10659.9 419.628 26 0 8 -6 1563.10 70.8783 4 0 8 6 1799.25 112.717 26 0 8 -7 2974.37 122.543 4 0 8 7 3350.84 162.051 26 0 8 8 16137.5 636.545 26 0 8 -8 16019.9 634.392 27 0 -8 8 16777.8 606.036 25 0 8 8 15738.2 606.898 25 0 8 9 1748.93 122.523 26 0 8 9 1517.77 79.9789 25 0 -8 9 1816.13 77.6913 25 0 8 -9 1580.60 109.945 27 0 -8 10 1557.51 74.2076 25 0 8 10 1403.49 76.7052 25 0 8 10 1457.25 117.759 26 0 -8 -10 1755.79 127.518 1 0 8 -10 1553.71 108.787 27 0 8 -11 1290.12 107.172 27 0 8 11 1351.37 75.5599 25 0 -8 -11 1352.42 125.131 1 0 8 11 1225.04 116.544 26 0 -8 11 1407.69 71.7259 25 0 -8 12 3428.80 145.900 25 0 8 -12 3466.69 184.483 27 0 -8 -12 3548.43 201.678 1 0 8 12 3427.50 148.325 25 0 -8 13 580.507 54.7224 25 0 8 -13 759.935 91.6139 27 0 8 13 583.543 57.8874 25 0 -8 -13 801.331 112.343 1 0 8 14 2671.20 124.538 25 0 8 -14 2711.63 116.426 4 0 -8 14 2580.99 120.331 25 0 8 -14 2263.00 158.295 27 0 -8 -14 2659.74 185.751 1 0 8 15 828.360 67.0189 25 0 8 -15 856.187 55.4128 4 0 8 -15 855.188 96.4134 27 0 -8 -15 769.478 114.235 1 0 -8 -15 682.910 105.035 7 0 -8 15 889.839 62.6060 25 0 8 -15 813.745 108.284 7 0 8 -16 243.044 37.0780 4 0 8 16 188.331 50.7916 25 0 -8 16 160.851 45.6260 25 0 -8 17 189.828 44.6682 25 0 8 17 207.516 50.2697 25 0 8 -17 267.998 35.1193 4 0 8 18 187.125 48.4282 25 0 -8 18 256.591 43.6740 25 0 8 -19 714.708 49.4457 20 0 8 19 816.906 58.0324 25 0 8 -19 649.599 47.3503 2 0 -8 19 738.103 52.5143 25 0 -8 -19 678.180 48.2407 20 0 -8 -20 330.426 32.2446 20 0 9 0 168.864 46.0329 27 0 9 0 116.336 61.0128 26 0 9 -1 203.676 49.7010 27 0 9 1 88.5621 42.3687 27 0 9 -1 177.732 58.2426 26 0 9 -2 5296.69 221.157 27 0 9 -2 5384.08 221.144 26 0 9 2 5126.52 226.897 26 0 9 2 5285.84 216.751 27 0 9 -3 16062.2 565.990 26 0 9 3 14250.0 549.755 6 0 9 -3 16098.3 571.227 27 0 9 3 14663.0 551.168 3 0 9 -3 14869.9 549.843 7 0 9 3 14851.8 572.488 26 0 -9 -3 14400.4 551.648 7 0 9 -3 14795.9 550.687 2 0 9 -4 249.001 56.0439 27 0 9 -4 220.914 55.8020 26 0 9 4 157.663 74.4103 26 0 9 -4 207.027 29.8949 2 0 9 -5 13115.9 520.929 26 0 9 -5 13773.1 511.009 4 0 9 5 13677.2 537.798 26 0 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312.444 87.5373 7 0 9 -14 419.685 86.1898 27 0 9 14 404.807 54.1785 25 0 9 -15 183.619 75.2319 27 0 -9 15 143.859 43.2262 25 0 9 -15 262.664 79.5781 7 0 -9 -15-4.79859 84.5927 1 0 9 15 46.1128 47.4966 25 0 9 -15 73.8377 34.2614 4 0 9 -16 92.3044 33.8179 4 0 9 16 117.378 47.1827 25 0 -9 16 124.742 42.7315 25 0 9 -17 32.4918 30.0974 4 0 -9 17 110.701 41.3679 25 0 9 17 63.8718 44.8602 25 0 9 -18 36.3853 32.2142 2 0 9 -18-51.7361 35.5406 20 0 9 18-24.4116 42.1739 25 0 -9 -18-2.16103 32.6688 20 0 9 -19 7.52646 27.7493 2 0 -9 19 68.3240 37.4782 23 0 -9 -19 53.9037 28.5624 20 0 -9 20-6.73208 28.5300 23 0 9 -21 195.209 23.0835 16 0 10 0 27271.8 1029.94 3 0 10 0 28851.6 1047.48 27 0 10 0 28513.9 1050.13 26 0 10 1 6827.26 275.699 27 0 10 -1 6823.35 281.409 26 0 10 1 6780.36 259.737 3 0 10 -1 6870.61 279.078 27 0 10 -2 173.706 29.0083 2 0 10 -2 186.774 52.8837 27 0 10 2 160.863 46.9932 27 0 10 -2 191.050 61.6900 26 0 10 2 223.136 32.9480 3 0 10 -2 242.460 27.4848 4 0 10 -3 1606.13 98.1964 26 0 10 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10 11 5437.33 230.340 25 0 10 11 4880.47 275.346 26 0 -10 -11 6734.32 294.744 1 0 -10 -12 2464.32 170.756 1 0 10 -12 2689.32 160.674 27 0 10 12 2276.31 110.792 25 0 10 -12 2389.36 106.570 4 0 10 -12 2375.09 152.350 7 0 -10 -13-33.1364 87.5366 1 0 10 -13 31.3918 74.0587 7 0 10 13 131.560 46.1899 25 0 10 -13 107.424 80.2650 27 0 10 -13 87.6025 36.0366 4 0 10 14 185.015 46.6521 25 0 10 -14 154.770 36.3183 4 0 -10 -14 116.471 92.1261 1 0 10 -14 198.416 79.6590 27 0 10 -15 538.426 45.6095 4 0 10 -15 545.081 91.3076 27 0 10 15 550.736 56.0729 25 0 10 16 492.180 54.2545 25 0 10 -16 536.073 43.6374 4 0 10 -17 61.2436 34.6057 2 0 -10 -17-23.8149 33.5760 20 0 10 17 53.1268 40.6375 25 0 10 -18-54.5178 31.2660 2 0 -10 19 238.018 40.1764 23 0 10 -19 197.555 29.7332 2 0 -10 20 127.002 27.6461 23 0 10 20 111.751 30.0322 19 0 10 -21 42.1944 17.9520 16 0 11 0 16.2460 50.2194 27 0 11 0 8.48039 31.1713 3 0 11 0 18.8565 68.2212 26 0 11 0 33.6876 26.9111 4 0 11 1 1763.00 104.213 27 0 11 1 1949.69 84.3012 3 0 11 -1 1914.25 116.199 26 0 11 -1 1988.51 108.836 27 0 11 -1 1902.08 81.9825 4 0 11 -2 1923.13 85.6773 2 0 11 2 1985.19 87.0092 3 0 11 2 1975.29 106.513 27 0 11 -2 1993.13 112.890 27 0 11 -2 2171.32 117.845 26 0 11 -2 1958.20 83.8954 4 0 11 -3 788.581 77.4455 27 0 11 -3 879.928 80.8259 26 0 11 -3 875.200 45.5751 4 0 11 -3 877.902 47.8560 2 0 11 3 780.117 95.8335 26 0 11 3 781.962 50.8387 3 0 11 -4 94.3852 56.1961 27 0 11 -4 32.5943 60.8262 26 0 11 -4 128.736 28.6444 4 0 11 -4 103.748 30.5861 2 0 11 4 18.8799 82.8855 26 0 11 -5 6638.91 269.631 27 0 11 -5 5999.54 237.631 2 0 11 5 6345.91 276.322 26 0 11 -5 6074.51 235.953 4 0 11 -5 6170.71 254.951 26 0 11 -6 3300.89 157.902 26 0 11 -6 3604.16 146.260 2 0 11 -6 3564.73 143.722 4 0 11 6 3664.33 191.454 26 0 11 -6 3919.55 181.354 27 0 11 -7 9244.66 350.637 2 0 11 -7 9275.34 384.351 27 0 11 7 9257.57 392.319 26 0 11 -7 9108.34 348.315 4 0 11 -7 8978.57 365.545 7 0 11 -8 12014.5 490.918 7 0 11 -8 12503.4 469.493 4 0 11 8 12866.1 516.556 26 0 11 -9 183.671 61.8494 7 0 11 9 198.065 107.046 26 0 11 -9 203.692 37.3152 4 0 11 -10 5596.34 260.022 27 0 11 10 4885.64 209.742 25 0 11 -10 5518.94 214.809 12 0 11 -10 5392.00 245.202 7 0 11 -10 5561.36 211.074 4 0 11 10 5032.64 265.389 26 0 11 11 839.597 60.2245 25 0 11 -11 1053.55 59.8062 4 0 -11 -11 873.185 119.704 1 0 11 -11 1107.24 110.436 27 0 11 11 1065.02 129.966 26 0 11 -12 723.482 100.394 27 0 11 -12 749.165 51.7277 4 0 11 12 619.420 54.2898 25 0 -11 -12 735.116 113.419 1 0 11 -13 2104.45 95.7270 4 0 11 13 1976.50 99.1660 25 0 11 -13 2258.38 152.672 27 0 -11 -14 592.406 112.164 1 0 11 -14 884.669 105.222 27 0 11 14 650.916 57.4268 25 0 11 -14 798.470 52.4184 4 0 11 -15 174.688 40.2411 2 0 11 15 277.915 45.0079 25 0 11 -15 199.527 36.2103 4 0 11 -16 131.401 34.1569 20 0 11 -16 126.259 37.8901 2 0 11 16 157.940 39.7215 25 0 11 -17 236.410 36.5028 2 0 11 -18 420.840 39.2249 2 0 -11 19 43.1938 34.1618 23 0 11 19 26.1438 35.5115 19 0 -11 20 33.4391 23.9565 23 0 12 0 3817.55 194.723 26 0 12 0 4107.99 160.463 3 0 12 0 3927.84 185.014 27 0 12 0 4018.14 159.067 4 0 12 1 18306.5 701.057 3 0 12 1 19365.0 730.450 26 0 12 -1 19714.0 726.944 27 0 12 -1 18511.9 699.415 4 0 12 1 19260.4 723.159 27 0 12 -1 18715.2 700.981 3 0 12 -1 19883.3 727.840 26 0 12 -2 2701.04 115.189 4 0 12 2 2660.27 118.103 3 0 12 2 3023.96 141.207 27 0 12 -2 3328.25 151.224 27 0 12 -2 3282.45 152.968 26 0 12 3 14702.0 593.700 26 0 12 -3 14894.6 589.380 27 0 12 -3 15480.6 585.296 26 0 12 -3 15023.7 561.124 2 0 12 3 14793.3 561.743 3 0 12 -3 14984.2 559.672 4 0 12 -4 4235.83 170.262 4 0 12 4 4709.57 216.450 26 0 12 -4 5008.37 209.445 27 0 12 -4 4085.77 172.453 2 0 12 -4 4739.68 200.814 26 0 12 -5 1909.17 81.7623 4 0 12 -5 1886.91 83.7530 2 0 12 5 1502.94 132.224 26 0 12 -5 1650.31 117.302 27 0 12 -5 1607.65 106.520 26 0 12 -6 1312.40 89.3497 26 0 12 6 1415.94 125.938 26 0 12 -6 1332.93 66.6062 4 0 12 -6 1356.48 106.445 27 0 12 -6 1417.87 69.7211 2 0 12 -7 1361.08 73.9281 2 0 12 7 1544.10 140.225 26 0 12 -7 1559.46 116.136 27 0 12 -7 1483.83 71.9753 4 0 12 -8 2137.80 98.3819 4 0 12 -8 2167.76 101.230 2 0 12 -8 2282.47 103.088 11 0 12 8 2269.01 165.358 26 0 12 -8 2414.53 145.866 27 0 12 -9 3246.42 137.977 4 0 12 -9 3466.32 141.753 2 0 12 -9 3162.01 141.239 11 0 12 9 3401.37 205.359 26 0 12 -10 606.072 102.455 27 0 12 -10 640.214 55.1224 2 0 12 10 748.264 123.995 26 0 12 -10 663.182 50.0367 4 0 12 -10 618.845 56.8315 12 0 12 -11 350.512 93.7513 27 0 -12 -11 282.801 103.700 1 0 12 -11 327.356 47.6245 2 0 12 11 149.636 111.355 26 0 12 -11 277.596 41.3533 4 0 12 -11 289.153 48.6211 12 0 12 -12 34.3942 82.4452 27 0 12 -12 89.4031 37.9241 4 0 12 -12 26.3722 40.1800 2 0 -12 -12 152.721 95.5920 1 0 -12 -13 1864.20 161.407 1 0 12 -13 1739.69 150.770 27 0 12 -13 2221.59 99.8826 4 0 12 -13 2283.92 103.850 2 0 12 -14 218.188 79.6500 27 0 12 -14 230.471 41.4267 2 0 12 -14 148.110 35.5162 4 0 12 -15 104.066 39.0273 2 0 12 -15 174.796 34.4461 4 0 12 -16 195.381 38.9500 10 0 12 -16 242.815 38.7146 2 0 12 -17 185.397 34.3991 2 0 12 -18 78.9870 27.7442 2 0 12 18 41.4514 39.5799 19 0 12 19 94.3695 31.3207 19 0 -12 19 95.8774 33.4771 23 0 12 -20 99.1900 21.2679 16 0 13 0 311.986 39.4468 3 0 13 0 274.868 88.6678 26 0 13 0 317.298 66.5824 27 0 13 1 1342.16 69.8898 3 0 13 1 1584.83 99.6628 27 0 13 1 1474.08 119.467 26 0 13 -1 1503.49 113.546 26 0 13 -1 1316.51 70.4122 3 0 13 -1 1636.12 103.380 27 0 13 -1 1408.80 66.9756 4 0 13 -2 9114.89 344.023 4 0 13 -2 9407.06 377.501 26 0 13 -2 9474.68 377.710 27 0 13 2 8786.00 346.398 3 0 13 -3 779.031 47.2196 2 0 13 -3 545.864 86.1619 26 0 13 -3 494.880 76.3692 27 0 13 3 591.490 102.143 26 0 13 -3 669.266 44.0039 4 0 13 -4 571.422 41.4506 4 0 13 -4 573.943 82.9709 26 0 13 -4 549.255 43.7734 2 0 13 -4 636.167 82.4482 27 0 13 4 420.831 103.085 26 0 13 -5 1262.49 107.971 27 0 13 -5 1379.37 101.065 26 0 13 -5 1436.89 69.3289 4 0 13 5 1423.06 132.561 26 0 13 -5 1458.83 72.1193 2 0 13 -6 45.2658 73.7154 27 0 13 -6 95.7627 33.4806 4 0 13 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478.359 46.5544 2 0 13 -16 20.5944 34.8271 10 0 13 16 45.4273 48.0366 19 0 13 -16 12.3781 32.1404 2 0 13 -17 130.496 31.4963 2 0 13 17 85.7991 45.3526 19 0 13 -18 156.724 27.5135 2 0 13 18 180.612 37.5578 19 0 13 -19 75.3456 23.9243 16 0 -13 19 76.3794 29.7945 23 0 13 -20-13.5961 16.1685 16 0 14 0 14235.3 540.792 3 0 14 0 14976.4 579.314 26 0 14 0 14323.1 571.335 27 0 14 -1 322.499 41.1302 3 0 14 -1 338.640 72.1891 27 0 14 1 307.129 67.5091 27 0 14 -1 338.643 37.4673 4 0 14 1 380.549 42.9632 3 0 14 -1 383.841 91.7758 26 0 14 1 275.428 97.4847 26 0 14 2 2265.89 102.069 3 0 14 -2 2374.76 138.005 27 0 14 -2 2115.00 101.126 3 0 14 -2 2317.75 98.7739 4 0 14 -2 2312.19 144.241 26 0 14 -3 1166.11 110.691 26 0 14 -3 1180.99 61.9312 4 0 14 -3 1186.18 100.845 27 0 14 -4 258.594 78.6723 27 0 14 4 332.823 108.021 26 0 14 -4 443.997 41.8477 2 0 14 -4 449.866 84.5908 26 0 14 -4 421.805 40.0004 4 0 14 -5 172.061 73.4417 26 0 14 5 276.089 109.055 26 0 14 -5 222.165 40.1132 2 0 14 5 222.876 48.7940 19 0 14 -5 238.564 83.1547 27 0 14 -5 272.859 43.4447 11 0 14 -5 207.789 36.0178 4 0 14 6 76.1170 45.7280 19 0 14 -6 59.6348 34.7570 4 0 14 -6 35.5942 75.9688 27 0 14 -6 103.010 38.2682 2 0 14 -6 59.9966 40.2553 11 0 14 6 61.6731 111.584 26 0 14 7 1072.32 74.8944 19 0 14 7 1285.74 146.282 26 0 14 -7 1209.90 116.063 27 0 14 -7 1042.95 65.8991 2 0 14 -7 1095.24 63.1991 4 0 14 -7 1211.22 69.7539 11 0 14 -8 3812.19 154.915 4 0 14 -8 3753.73 207.956 27 0 14 8 3561.67 163.766 19 0 14 -8 3732.02 157.691 2 0 14 8 3759.42 228.954 26 0 14 -8 3659.87 158.467 11 0 14 -9 4085.65 222.699 27 0 14 9 3859.65 178.044 19 0 14 9 3727.79 239.277 26 0 14 -9 4141.13 172.842 11 0 14 -9 4246.72 169.044 4 0 14 -9 4136.17 171.780 2 0 14 -10 573.825 54.9991 12 0 14 -10 392.886 48.9098 2 0 14 -10 422.007 45.2187 4 0 14 10 362.107 61.2377 19 0 14 10 558.920 129.867 26 0 14 11 565.729 65.2398 19 0 14 -11 570.192 104.242 27 0 14 -11 635.714 56.5146 12 0 -14 -11 598.455 114.687 1 0 14 -11 618.223 55.1827 2 0 14 -11 630.422 49.2948 4 0 14 11 704.592 131.808 26 0 14 -12 162.909 45.0795 12 0 14 -12 261.477 43.6666 2 0 14 12 272.115 56.6026 19 0 14 -12 158.434 37.6066 4 0 -14 -12 360.689 96.8530 1 0 14 -12 224.496 89.8572 27 0 14 13 100.777 53.0152 19 0 14 -13 80.2828 38.6061 2 0 14 -13 70.5314 33.3667 4 0 14 -14 271.049 42.1079 2 0 14 14 196.856 54.5940 19 0 14 15 689.834 65.0941 19 0 14 -15 733.007 52.5304 2 0 14 16 1139.60 73.5241 19 0 14 -16 1112.03 63.0479 10 0 14 -16 1098.97 62.2132 2 0 14 -17 392.978 35.5529 2 0 14 17 347.636 45.6195 19 0 14 -18 452.527 34.9255 16 0 14 -19 19.1497 19.9404 16 0 -14 19 18.6930 25.3236 23 0 15 0-33.2130 43.5070 18 0 15 0-55.0776 96.0346 26 0 15 0 50.7096 67.2990 27 0 15 0 9.14966 38.1946 3 0 15 -1 36.7844 43.3532 18 0 15 -1 40.7641 93.5680 26 0 15 1 159.637 67.7274 27 0 15 1 63.8800 38.8076 3 0 15 -1 69.0561 71.0357 27 0 15 -1 124.360 38.3019 3 0 15 1 117.217 100.894 26 0 15 -2 1288.15 108.955 27 0 15 -2 1318.35 71.4320 3 0 15 -2 1281.45 70.5410 17 0 15 2 1370.40 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380.310 59.1618 19 0 15 -8 414.095 98.3712 27 0 15 -8 352.678 50.2612 11 0 15 8 319.867 129.543 26 0 15 -8 387.264 44.9621 4 0 15 -9 407.398 48.1029 2 0 15 9 385.442 60.0402 19 0 15 -9 400.888 50.6489 11 0 15 -9 339.984 44.2684 4 0 15 -9 482.196 100.537 27 0 15 -10 79.5604 46.5158 12 0 15 -10 201.166 44.7195 2 0 15 -10 152.679 39.5168 4 0 15 10 243.896 125.573 26 0 15 10 64.6877 55.2773 19 0 15 -11 839.644 59.2089 2 0 15 -11 736.659 59.8448 12 0 15 11 722.695 133.857 26 0 15 11 611.921 67.8176 19 0 15 -11 752.284 53.0958 4 0 -15 -11 622.941 116.168 1 0 15 -12 86.1537 85.0561 27 0 15 -12 20.8127 34.4282 4 0 15 12 77.5567 52.9747 19 0 15 -12 54.9312 39.6459 2 0 15 -12 117.361 42.5510 12 0 15 -13 188.015 40.2343 2 0 15 13 115.948 53.2239 19 0 15 -14 60.0659 35.7481 2 0 15 14-40.5221 50.9902 19 0 15 -15 52.6134 32.4634 2 0 15 15 37.0178 47.7982 19 0 15 -16 278.428 37.6906 10 0 15 -16 325.637 35.7067 2 0 15 16 287.985 47.5027 19 0 15 -17-1.74672 25.1399 2 0 15 17 21.1192 33.4647 19 0 15 -17 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209.942 34.0494 2 -1 14 -16 216.694 35.7078 10 -1 14 -16 201.592 29.4681 4 -1 14 -16 201.615 35.0906 16 -1 14 -17 18.0797 25.2417 2 -1 14 -17-16.2508 26.2993 10 -1 14 -17-16.0711 28.1160 16 -1 14 -18 66.4105 23.2154 16 -1 14 -19-6.01342 15.6983 16 -1 -15 19 132.730 25.3850 23 -1 -15 18 26.1786 31.6469 23 -1 15 18 58.2041 33.8268 19 1 15 -18 38.3856 21.6703 16 -1 15 17 165.747 44.5607 19 -1 15 16 17.3176 47.4091 19 1 15 -15 57.1345 32.2119 2 -1 15 15 58.1171 50.9295 19 -1 15 14 90.1330 44.3288 17 -1 15 14 36.2860 54.5222 19 1 15 -14 166.773 37.7319 2 -1 15 13 67.4450 55.0438 19 1 15 -13 5.08773 36.2293 2 -1 15 13-56.0483 46.7100 17 1 15 -12 345.929 44.9749 2 -1 15 12 271.670 51.6207 17 -1 15 12 336.611 60.1516 19 -1 15 11 619.028 59.9233 17 1 15 -11 773.701 102.750 27 -1 15 11 656.112 68.7206 19 1 15 -11 695.980 55.1113 2 -1 15 10 47.8330 123.925 26 1 15 -10 26.0917 40.7632 2 -1 15 10 51.6681 46.4198 17 -1 15 10 16.6930 54.3053 19 1 15 -10 143.538 85.4506 27 1 15 -9-16.6102 79.7165 27 1 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24092.0 876.481 2 -2 10 -4 23688.5 896.352 7 -2 10 -5 354.102 38.2626 4 -2 10 -5 304.682 63.4730 7 -2 -10 -5 290.347 59.8018 7 -2 10 -5 275.743 39.6433 2 -2 10 -6 146.068 82.7595 27 -2 10 -6 232.820 65.3364 7 -2 -10 -6 137.586 61.5879 7 -2 10 -6 139.337 36.3512 4 -2 10 -7 2203.51 99.2033 4 -2 10 -7 2358.28 135.337 7 -2 -10 -7 2295.19 134.135 7 -2 10 -7 2229.31 103.278 12 -2 10 -7 1826.35 145.744 27 -2 10 -7 2148.63 102.303 11 -2 10 -8 337.402 41.9502 4 -2 10 -8 331.220 89.0068 27 -2 -10 -8 382.516 78.4872 7 -2 10 -8 336.288 48.3115 12 -2 10 -8 364.343 48.2124 11 -2 10 -8 353.971 78.9376 7 -2 10 -9 398.273 49.9742 12 -2 10 -9 360.301 43.8575 4 -2 10 -9 320.392 81.7938 7 -2 10 -9 243.917 88.4869 27 -2 -10 -9 359.862 79.1147 7 2 10 9 256.791 96.9256 26 -2 10 -10 9682.35 368.097 4 -2 10 -10 9283.05 417.961 7 -2 -10 -10 9314.68 414.674 7 2 10 10 8827.70 406.892 26 -2 10 -10 8824.63 420.318 27 -2 10 -10 9671.34 372.189 12 -2 10 -10 9733.94 368.119 20 -2 -10 -10 10071.4 437.624 1 -2 -10 -11 5018.14 264.507 7 -2 10 -11 5386.58 270.159 7 -2 -10 -11 5693.63 289.795 1 -2 10 -11 5285.94 214.754 20 -2 10 -11 4982.14 267.448 27 -2 10 -11 5330.84 214.334 4 -2 10 -11 5462.70 219.353 12 -2 10 -12 198.691 43.4809 20 -2 10 -12 132.730 47.0942 12 -2 10 -12 115.377 82.0654 27 -2 10 -12 149.250 40.2880 4 -2 10 -12 238.447 85.5894 7 -2 -10 -12-21.7177 97.1038 1 -2 10 -13 26.0353 39.5662 20 -2 -10 -13-2.66560 37.7031 20 -2 10 -13 31.7215 43.3096 12 2 10 13 22.8698 44.1163 25 -2 10 -13 83.1204 37.5954 4 -2 -10 -13 77.1758 95.7310 1 -2 10 -13 50.7020 43.7893 10 -2 10 -14 1476.11 77.8986 20 -2 10 -14 1498.67 76.2555 4 2 10 14 1372.02 81.4468 25 -2 -10 -14 1367.04 74.8331 20 -2 10 -14 1514.97 81.5800 10 -2 10 -15 63.3334 37.5370 20 -2 10 -15 138.284 41.1355 10 -2 -10 -15 78.9859 34.8559 20 -2 10 -15 94.0647 35.7242 4 2 10 15 102.055 43.4570 25 -2 10 -16 240.699 37.2021 20 2 10 16 270.075 41.9322 25 -2 10 -16 242.507 36.7536 4 -2 10 -16 275.464 39.6530 10 -2 10 -16 236.065 39.7596 2 -2 10 -16 264.769 41.2621 16 -2 -10 -16 244.382 36.2755 20 -2 10 -17 119.000 30.6672 4 -2 10 -17 158.971 33.2767 2 -2 10 -17 180.004 35.2645 16 -2 10 -17 87.2281 31.0354 10 -2 10 -18 24.8194 28.5745 16 -2 10 -18 75.7677 26.4840 2 -2 10 -18 60.7031 25.3859 4 -2 10 -19 361.510 29.7361 16 -2 10 -20 155.669 17.6325 16 -2 11 21 27.4936 23.5289 19 -2 11 20 10.2153 25.4286 17 -2 11 20 64.9914 35.4748 19 -2 -11 20 50.0690 28.7091 23 -2 11 19 198.540 47.8401 19 -2 -11 19 225.683 38.8870 23 -2 11 19 181.583 39.4045 17 -2 11 18-6.25967 42.4997 17 -2 -11 18-3.71284 41.3919 23 -2 11 17 41.4460 47.2316 17 -2 -11 17 11.1133 47.0805 23 -2 11 16 472.940 49.1137 25 -2 11 16 516.787 60.7642 17 -2 11 15 23.1298 42.2691 25 -2 11 15 34.7313 51.5092 17 -2 11 14-8.78380 50.7656 17 -2 11 14 54.9947 42.4240 25 2 11 -14 3.88632 67.8509 27 -2 11 13 60.4191 51.7833 17 -2 11 13 90.1917 43.7964 25 2 11 -13 162.768 74.7402 27 -2 11 12 380.215 59.8830 17 -2 11 12 428.584 50.2164 25 -2 11 11 430.114 58.2892 17 -2 11 11 439.017 49.1679 25 2 11 -11 488.374 48.0558 2 -2 11 11 502.052 88.5442 6 -2 11 10 483.141 49.5650 25 2 11 -10 638.862 49.3886 2 -2 11 10 596.477 89.2995 6 -2 11 10 573.685 59.0377 17 -2 11 9 11.0212 45.2034 17 2 11 -9 25.3309 33.7575 2 -2 11 9 16.4279 64.8108 6 2 11 -8 251.346 35.4566 2 -2 11 8 197.536 66.5922 6 -2 11 8 234.314 46.1791 17 -2 11 7 257.876 46.3884 17 -2 11 7 240.241 62.2644 6 2 11 -7 404.043 35.3695 2 -2 11 6 316.947 111.534 26 2 11 -6 237.021 30.6946 2 -2 11 6 243.170 53.7558 6 -2 11 5 1059.83 129.041 26 -2 11 5 1036.55 74.4630 6 -2 11 4 5099.02 257.483 26 -2 11 3 1489.57 73.7049 3 -2 11 2 9236.59 350.846 3 2 11 -2 9198.94 348.114 3 2 11 -1 5042.67 198.639 3 -2 11 1 5305.38 201.793 3 2 11 0 261.240 45.8555 27 -2 11 0 254.166 36.7994 3 2 11 0 278.954 31.2639 3 -2 11 -1 325.731 39.7513 3 -2 11 -1 307.956 36.9673 2 2 11 1 344.367 33.0437 3 2 11 1 408.023 47.1200 27 -2 11 -2 11560.5 440.238 4 -2 11 -2 11302.8 480.982 27 -2 11 -2 11886.0 441.608 2 -2 11 -3 114.605 76.4918 27 -2 11 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19 -2 -19 15 24.4261 30.0678 23 2 19 -14 446.873 38.1172 3 -2 19 14 384.167 50.3879 19 -2 -19 14 489.816 44.0717 23 -2 19 13 22.4538 45.2622 19 -2 19 13-0.72101 36.4148 17 2 19 -13 14.0238 34.0328 3 -2 19 12 256.715 53.3275 19 -2 19 12 212.304 43.9538 17 2 19 -12 349.449 42.0644 3 -2 19 11 798.272 69.2999 19 -2 19 11 682.937 59.8921 17 2 19 -11 880.966 58.0717 3 -2 19 10 169.908 54.8534 19 -2 19 10 203.301 47.0728 17 2 19 -10 239.504 44.2082 3 -2 19 9 86.5738 54.1480 19 -2 19 9 73.1910 47.6864 17 2 19 -9 111.848 42.7250 3 -2 19 8 841.112 74.3610 19 -2 19 8 786.480 67.0161 17 -2 19 7-15.6176 54.4561 19 2 19 -7 46.1311 42.1795 3 2 19 -7-30.3494 77.5485 27 -2 19 7 35.3549 46.4724 17 -2 19 6 3429.68 150.441 19 2 19 -6 3097.78 138.022 3 -2 19 6 3002.19 141.985 17 2 19 -6 3096.36 189.856 27 -2 19 5-50.2121 49.5240 17 -2 19 5 7.00595 56.0425 18 2 19 -5-9.01853 42.0761 3 -2 19 4 2086.11 111.273 17 -2 19 4 2299.29 117.593 18 2 19 -4 2349.99 106.228 3 -2 19 3 998.686 78.5251 18 -2 19 3 1096.27 74.0976 17 2 19 -3 880.956 124.173 26 2 19 -3 1183.46 67.6784 3 -2 19 2 1927.68 102.166 18 -2 19 2 1805.20 96.0231 17 2 19 -2 1703.20 89.2165 3 2 19 -2 1788.85 152.102 26 -2 19 1 433.429 63.3277 18 -2 19 1 500.547 57.8601 17 2 19 -1 396.601 114.544 26 -2 19 0 4320.02 182.248 17 -2 19 0 4433.02 186.349 18 -2 19 -1 780.280 70.1088 18 2 19 1 703.878 131.764 26 -2 19 -1 950.002 70.3953 11 -2 19 -1 835.144 66.1512 17 -2 19 -2 1027.65 74.7267 11 -2 19 -2 1112.97 77.0703 18 2 19 2 1103.93 139.516 26 -2 19 -3 792.016 66.1624 11 -2 19 -4 50.5507 46.9536 3 -2 19 -4 102.270 43.4605 4 -2 19 -4 76.0997 50.4129 11 -2 19 -5 7144.46 272.559 3 -2 19 -5 6678.37 269.257 4 2 19 5 6024.20 339.785 26 -2 19 -5 6746.01 273.214 11 -2 19 -6 1888.83 94.1253 4 -2 19 -6 1887.48 99.6217 11 -2 19 -6 2019.70 104.370 12 -2 19 -6 1895.87 98.0688 3 -2 19 -7 529.185 58.2911 12 -2 19 -7 529.244 48.9909 4 -2 19 -7 541.581 54.8655 11 -2 19 -7 500.395 53.9926 3 -2 19 -8 616.341 54.5363 3 -2 19 -8 553.620 47.6196 4 -2 19 -8 537.326 54.3091 11 -2 19 -8 441.959 56.2669 12 -2 19 -9 219.397 43.7646 3 -2 19 -9 271.437 48.8221 12 -2 19 -9 255.857 39.2688 4 -2 19 -10 816.649 56.3350 3 -2 19 -10 720.196 50.7272 4 -2 19 -10 816.582 59.4922 12 -2 19 -11 176.487 37.1614 3 -2 19 -11 156.372 41.0841 12 -2 19 -11 182.361 33.2766 4 -2 19 -12 42.3743 31.9705 3 -2 19 -12 75.1144 36.7959 10 -2 19 -12 44.4856 34.9090 12 -2 19 -12 76.0742 27.5878 4 -2 19 -13 9.35788 27.5034 3 -2 19 -13 95.8686 32.7111 10 -2 19 -14 71.4830 27.1223 10 -2 19 -15 13.7040 19.6373 10 -2 -20 15 16.9975 25.1180 23 -2 20 14 71.9848 37.9566 19 -2 -20 14 93.2166 30.3444 23 2 20 -13 51.4457 28.9405 3 -2 -20 13 84.5243 34.1121 23 -2 20 12 82.5993 46.2950 19 -2 -20 12 78.3035 37.2811 23 -2 20 12 5.66112 35.5991 17 2 20 -12 56.3318 33.8392 3 -2 20 11 103.195 48.8709 19 -2 20 11 57.0901 40.7326 17 2 20 -11 50.4480 35.1203 3 -2 20 10 85.8855 50.0503 19 -2 20 10 90.2581 43.3612 17 2 20 -10 92.9658 38.9746 3 -2 20 9 878.029 73.4473 19 2 20 -9 1067.19 64.2504 3 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36.8735 5 -3 -9 -4 194.249 64.8740 7 -3 9 -4 94.9136 33.4405 2 -3 9 -4 120.364 35.0225 4 -3 -9 -5 10167.8 415.523 7 -3 9 -5 10082.3 381.463 16 -3 9 -5 10212.8 419.110 7 -3 9 -5 9996.81 380.729 2 -3 -9 -5 9740.88 376.316 5 -3 -9 -6 2534.39 112.917 5 -3 9 -6 2884.10 120.180 16 -3 9 -6 2759.77 159.963 7 -3 -9 -6 2616.16 155.962 7 -3 9 -6 2745.76 121.502 12 -3 9 -6 2725.17 121.098 11 -3 9 -7 1843.42 135.581 7 -3 -9 -7 1676.91 129.159 7 -3 9 -7 1890.01 95.9168 12 -3 9 -7 2053.26 93.0163 20 -3 9 -8 199.276 47.8406 12 -3 9 -8 202.140 43.6231 20 -3 9 -8 231.907 84.5598 7 -3 -9 -8 137.078 77.0504 7 -3 9 -9 532.621 50.0011 4 -3 9 -9 562.369 99.6888 7 -3 -9 -9 448.972 90.7197 7 -3 -9 -9 409.305 46.2956 20 -3 9 -9 511.094 55.9885 12 -3 9 -9 491.861 51.6442 20 -3 9 -10 4585.83 183.947 4 -3 9 -10 4535.65 186.938 16 -3 9 -10 4322.11 242.363 7 -3 -9 -10 4206.93 234.739 7 -3 9 -10 4158.28 187.202 12 -3 -9 -10 4294.70 181.646 20 -3 9 -10 4576.62 188.558 10 -3 9 -10 4652.87 185.458 20 -3 -9 -11 124.047 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3869.49 195.936 6 -4 -3 1 199.833 69.6194 6 -4 3 1 155.906 32.6764 5 -4 3 1 93.8843 72.4267 7 -4 -3 1 99.0468 68.8752 7 -4 -3 1 152.097 35.3852 24 -4 3 1 117.536 36.5510 24 -4 3 1 143.047 69.2442 6 -4 3 0 866.040 49.7282 5 -4 3 0 942.658 97.3096 7 -4 -3 0 1020.42 94.9068 7 -4 -3 0 724.024 52.0314 24 -4 3 0 883.162 54.1399 24 -4 -3 0 1064.54 90.3209 6 -4 3 0 1034.27 92.4642 6 -4 3 -1 5332.51 200.857 5 -4 3 -1 5021.33 199.547 4 -4 3 -1 5308.11 247.177 7 -4 -3 -1 5737.84 247.074 7 -4 -3 -2 27421.9 1023.73 5 -4 3 -2 27448.4 1022.66 4 -4 3 -2 29203.2 1069.97 7 -4 -3 -2 28150.0 1065.30 7 -4 -3 -3 11082.5 413.820 5 -4 3 -3 10621.1 412.991 4 -4 3 -3 11345.6 438.352 1 -4 -3 -3 11662.4 448.388 1 -4 3 -3 11097.0 463.152 7 -4 -3 -3 10993.1 459.281 7 -4 3 -4 159.972 63.8739 1 -4 -3 -4 79.5760 37.2024 5 -4 -3 -4-19.8122 71.8411 1 -4 3 -4 127.565 76.7352 7 -4 -3 -4 92.5693 75.6936 7 -4 -3 -5 144.472 39.1903 5 -4 3 -5 103.077 42.2102 12 -4 3 -5 219.228 90.5277 7 -4 -3 -5 157.318 81.1837 7 -4 -3 -5 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6 -4 -4 6 141.325 76.3823 6 -4 4 6 176.010 83.7315 6 -4 -4 5 768.108 90.1992 6 -4 4 5 718.434 92.9126 6 -4 -4 4 5267.79 213.561 24 -4 4 4 5448.99 214.854 24 -4 -4 4 5832.80 255.805 6 -4 4 4 5993.64 262.026 6 -4 4 3 83.2883 69.2830 6 -4 4 3 135.590 38.8485 24 -4 -4 3 88.9231 36.3157 24 -4 -4 3 189.403 71.0222 6 -4 -4 2 3294.00 131.722 24 -4 4 2 3007.68 131.478 24 -4 4 2 3463.78 174.094 6 -4 -4 2 3261.09 168.515 6 -4 -4 1 2068.26 126.855 6 -4 4 1 2007.89 84.2972 5 -4 -4 1 1872.83 88.6063 24 -4 4 1 1984.94 133.634 7 -4 -4 1 1900.55 127.281 7 -4 4 1 2060.33 89.8194 24 -4 4 1 1964.69 128.204 6 -4 4 0 268.375 34.0684 5 -4 4 0 286.895 29.0727 4 -4 -4 0 313.402 38.1475 24 -4 4 0 331.149 74.2937 7 -4 -4 0 447.655 75.1023 7 -4 -4 0 390.803 71.8858 6 -4 4 0 280.322 71.5286 6 -4 -4 -1 977.812 53.8946 5 -4 4 -1 966.526 96.4855 7 -4 4 -1 880.510 49.0886 4 -4 -4 -1 1063.61 97.7836 7 -4 -4 -2 3056.74 128.515 5 -4 4 -2 3173.03 126.292 4 -4 4 -2 3213.48 175.482 7 -4 -4 -2 3158.74 170.292 7 -4 -4 -3 301.230 41.5682 5 -4 4 -3 375.640 35.2679 4 -4 -4 -3 313.426 82.3460 7 -4 -4 -4 3815.23 154.871 5 -4 4 -4 3787.90 153.755 4 -4 -4 -4 3776.33 194.770 1 -4 4 -4 4151.92 209.463 7 -4 -4 -4 4015.26 205.897 7 -4 -4 -5 4457.74 172.453 5 -4 4 -5 3998.76 175.424 16 -4 4 -5 4605.43 232.230 7 -4 -4 -5 4274.23 224.738 7 -4 -4 -5 4596.68 219.974 1 -4 4 -5 4487.12 178.277 20 -4 4 -5 4412.70 178.611 12 -4 -4 -5 4101.09 175.537 20 -4 4 -6 996.828 64.3933 16 -4 4 -6 1056.79 118.709 7 -4 -4 -6 1239.14 116.759 7 -4 -4 -6 944.211 65.2686 20 -4 4 -6 1040.40 69.1191 20 -4 4 -7 32.7680 45.6562 20 -4 4 -7 28.8424 41.7669 16 -4 4 -7 120.104 92.6460 7 -4 -4 -7 141.081 87.6114 7 -4 -4 -7 88.5425 43.4134 20 -4 4 -7 40.3864 42.5319 10 -4 -4 -7-3.98006 86.0197 1 -4 4 -8 1466.70 81.8758 10 -4 4 -8 1372.73 78.7661 16 -4 4 -8 1578.26 145.105 7 -4 -4 -8 1453.46 135.772 7 -4 4 -8 1453.86 84.6885 20 -4 -4 -8 1415.76 131.256 1 -4 -4 -8 1381.53 80.1758 20 -4 -4 -9 283.192 48.8761 20 -4 4 -9 288.692 53.7449 20 -4 -4 -9 332.306 95.8624 1 -4 4 -9 240.194 45.9608 16 -4 4 -9 224.257 98.1813 7 -4 -4 -9 267.168 96.2445 7 -4 4 -9 272.840 48.4137 10 -4 -4 -10 79.3076 46.9325 20 -4 4 -10 102.785 50.2096 20 -4 -4 -10-5.00242 90.1292 1 -4 4 -10 83.5109 42.9470 16 -4 4 -10 36.2234 93.1446 7 -4 -4 -10 161.873 91.9873 7 -4 4 -10 101.214 46.1244 10 -4 -4 -11 71.4709 43.8591 20 -4 4 -11 49.3847 50.0967 20 -4 4 -11 77.0364 45.5052 10 -4 4 -11 91.7489 42.4346 16 -4 4 -11 80.6498 95.4773 7 -4 -4 -11 120.027 89.7565 7 -4 -4 -11-31.1515 93.3661 1 -4 -4 -12 857.938 121.472 1 -4 4 -12 1159.86 69.0111 16 -4 4 -12 972.851 134.177 7 -4 -4 -12 1069.58 126.497 7 -4 4 -12 1121.78 71.7327 10 -4 -4 -12 1127.56 71.0603 20 -4 4 -12 1040.56 74.5555 20 -4 -4 -13 212.453 46.6984 20 -4 4 -13 283.296 51.9106 20 -4 4 -13 259.754 46.2429 10 -4 4 -13 285.409 43.6744 16 -4 4 -14 9.33368 45.4325 20 -4 -4 -14 14.5577 40.6795 20 -4 4 -14-65.1744 37.4562 4 -4 4 -14 18.1612 36.2822 16 -4 4 -14-21.1629 40.5690 10 -4 4 -15 69.4453 33.2329 16 -4 -4 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387.194 43.9992 4 -4 9 -4 243.368 83.7043 7 -4 -9 -4 445.469 82.1079 7 -4 9 -4 280.324 45.2205 20 -4 9 -4 300.796 49.4211 12 -4 9 -4 322.431 48.4632 11 -4 9 -4 234.545 48.8569 10 -4 9 -5 8886.61 351.790 20 -4 -9 -5 9163.27 347.875 5 -4 9 -5 9439.29 403.562 7 -4 9 -5 9402.00 351.450 4 -4 -9 -5 8891.00 396.962 7 -4 9 -5 9116.01 350.774 2 -4 9 -5 9164.06 355.460 12 -4 9 -5 9052.38 355.864 10 -4 -9 -5 8937.26 350.332 22 -4 -9 -6 3181.54 142.079 5 -4 9 -6 3526.03 147.959 20 -4 9 -6 3433.54 146.458 4 -4 9 -6 3678.75 203.633 7 -4 -9 -6 3215.58 192.333 7 -4 9 -6 3262.25 145.663 2 -4 -9 -6 3640.33 145.511 20 -4 -9 -6 3549.89 145.050 22 -4 9 -6 3528.08 152.002 10 -4 -9 -7 1292.32 71.6073 20 -4 9 -7 1356.81 74.0637 4 -4 -9 -7 1428.85 138.051 1 -4 9 -7 1311.31 127.531 7 -4 -9 -7 1157.99 117.447 7 -4 -9 -7 1275.23 69.6543 22 -4 9 -7 1230.90 72.2963 2 -4 9 -7 1367.96 76.4621 20 -4 9 -8 3630.19 154.632 20 -4 9 -8 3585.15 152.627 4 -4 9 -8 3619.85 157.947 16 -4 9 -8 3557.20 212.366 7 -4 -9 -8 3152.10 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215.911 56.8443 17 -4 -10 12 246.365 46.9613 14 -4 10 12 144.395 45.8717 23 -4 -10 12 245.501 55.1624 23 -4 10 12 276.352 99.9921 6 -4 10 11 253.549 48.3212 23 -4 -10 11 383.155 56.9760 23 -4 10 11 375.499 98.8782 6 -4 -10 10 2066.52 96.2973 15 -4 10 10 2029.95 161.024 6 -4 10 10 1796.89 97.6914 23 -4 -10 10 2070.10 105.552 23 -4 10 9 96.6251 53.4829 19 -4 -10 9 64.0201 43.3296 15 -4 10 9 9.19820 84.2501 6 -4 10 9 115.238 45.7796 23 -4 -10 9 101.986 50.4309 23 -4 -10 9 174.599 80.6163 6 -4 10 8 619.931 63.7930 19 -4 -10 8 683.776 54.3735 15 -4 -10 8 550.583 57.8073 23 -4 10 8 607.193 53.2091 24 -4 10 8 668.375 56.8765 23 -4 -10 8 635.019 53.6875 22 -4 -10 8 498.683 96.6132 6 -4 10 8 462.711 90.8918 6 -4 10 7 739.597 62.9978 19 -4 -10 7 601.056 53.8526 22 -4 10 7 569.806 60.6640 17 -4 -10 7 671.768 53.2469 15 -4 10 7 525.403 50.9958 24 -4 10 7 571.644 55.8472 23 -4 -10 7 676.365 55.0060 23 -4 -10 7 628.791 91.7447 6 -4 10 7 604.296 91.1976 6 -4 10 6 970.772 71.0110 19 -4 10 6 1039.49 71.5493 17 -4 10 6 1043.70 66.8167 23 -4 -10 6 1063.76 66.0969 22 -4 -10 6 1154.18 65.0139 15 -4 -10 6 1068.17 62.6520 13 -4 -10 6 1178.13 105.745 6 -4 10 6 942.691 61.4817 24 -4 10 6 990.150 101.995 6 -4 -10 6 1086.92 63.6961 23 -4 10 5 2020.64 99.9039 19 -4 10 5 1980.68 99.7192 17 -4 10 5 1894.34 97.2546 23 -4 -10 5 1897.43 91.3446 13 -4 10 5 1966.81 90.7574 24 -4 -10 5 1971.02 135.193 6 -4 10 5 1909.34 133.519 6 -4 -10 5 1972.34 97.1350 22 -4 10 5 2085.80 94.7311 9 -4 10 4 740.535 55.5188 9 -4 10 4 726.637 61.7791 19 -4 10 4 897.238 63.4892 18 -4 10 4 736.113 61.7484 17 -4 10 4 873.788 52.6163 24 -4 -10 4 854.281 55.1301 13 -4 10 4 1002.45 61.8168 23 -4 -10 4 832.655 89.7837 6 -4 10 4 864.748 89.4404 6 -4 10 3 277.525 46.2458 19 -4 10 3 223.383 40.9767 9 -4 10 3 211.735 47.1104 18 -4 10 3 182.447 45.4636 17 -4 -10 3 288.107 67.4777 6 -4 -10 3 244.160 41.3474 13 -4 10 3 187.625 35.4350 24 -4 10 3 263.652 66.4638 6 -4 10 2 3990.83 177.771 9 -4 10 2 4676.09 183.035 18 -4 10 2 4677.20 181.912 17 -4 10 2 4365.84 177.013 4 -4 -10 2 4447.90 178.138 13 -4 10 1 9554.71 363.672 9 -4 10 1 9085.08 365.287 18 -4 10 1 9686.82 366.062 17 -4 10 1 10216.0 363.473 4 -4 -10 1 8962.64 362.872 13 -4 10 0 7563.43 313.332 9 -4 10 0 8164.84 316.210 18 -4 10 0 7782.73 309.509 3 -4 10 0 8489.90 315.884 17 -4 10 0 8533.73 312.761 4 -4 10 0 8175.32 316.558 12 -4 10 0 8280.90 316.587 11 -4 10 -1 475.108 40.1258 3 -4 10 -1 381.805 50.6515 18 -4 10 -1 456.118 50.0192 17 -4 10 -1 516.497 44.5715 4 -4 10 -1 482.729 50.6060 12 -4 10 -1 515.993 50.5551 11 -4 10 -1 310.297 48.3731 10 -4 -10 -2 1097.98 63.2545 5 -4 10 -2 1025.75 57.8327 3 -4 10 -2 1092.88 66.1497 17 -4 10 -2 1031.45 100.011 7 -4 -10 -2 1201.26 99.4792 7 -4 10 -2 1093.08 63.2179 4 -4 10 -2 1139.40 68.0165 12 -4 10 -2 1052.38 67.0738 11 -4 10 -2 1090.92 60.6969 2 -4 10 -2 871.941 68.1079 10 -4 10 -3 13325.5 520.725 3 -4 -10 -3 14078.7 521.441 5 -4 10 -3 14574.5 525.503 17 -4 10 -3 13044.8 564.234 7 -4 -10 -3 13951.3 562.159 7 -4 10 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91.9999 39.7447 22 -4 10 -7 119.672 43.5057 20 -4 10 -7 186.708 43.3143 2 -4 10 -8 5132.49 203.604 4 -4 10 -8 4616.32 258.366 7 -4 -10 -8 4924.12 270.839 1 -4 10 -8 4921.90 202.441 2 -4 10 -8 4901.97 207.625 12 -4 10 -8 4958.16 202.909 20 -4 -10 -9 2797.00 200.509 1 -4 10 -9 3126.59 132.915 2 -4 10 -9 2886.55 136.928 12 -4 10 -9 3185.29 138.175 10 -4 10 -9 2807.27 130.971 20 -4 10 -10 151.031 48.6337 16 -4 10 -10 167.879 50.0871 12 -4 -10 -10 171.316 99.7655 1 -4 10 -10 124.184 41.0751 2 -4 10 -10 195.140 48.6969 10 -4 -10 -10 210.371 39.6325 20 -4 10 -10 194.832 42.9555 20 -4 10 -11 264.958 48.8288 16 -4 -10 -11 203.750 38.9447 20 -4 10 -11 237.066 41.0136 2 -4 10 -11 233.288 49.3279 10 -4 10 -11 188.625 42.9693 20 -4 10 -12 69.8015 37.9760 20 -4 10 -12 23.0975 42.6465 16 -4 10 -12 29.5300 43.1656 10 -4 10 -12 26.4835 36.8235 2 -4 -10 -12 58.6471 34.3917 20 -4 10 -13 153.957 41.3507 16 -4 10 -13 90.9545 34.9350 20 -4 10 -13 115.027 41.8683 10 -4 -10 -13 118.796 33.4617 20 -4 10 -13 113.401 35.3742 2 -4 10 -14 120.697 33.2882 2 -4 10 -14 113.677 37.3247 10 -4 10 -14 145.543 37.0397 16 -4 10 -14 127.368 32.9529 4 -4 10 -15 53.5371 28.3451 2 -4 10 -15 35.3633 31.4447 16 -4 10 -15 76.4922 27.8555 4 -4 10 -15 108.440 32.3320 10 -4 10 -16 70.2122 26.1774 16 -4 10 -16 79.6907 23.8362 4 -4 11 20 112.110 28.1336 19 -4 11 20 110.293 25.7405 17 -4 -11 20 78.5510 22.6947 23 -4 11 19 24.2288 37.0719 19 -4 11 19-13.7996 34.0905 17 -4 -11 19 21.4352 29.2332 23 -4 11 18 411.687 52.4735 19 -4 11 18 485.671 50.2840 17 -4 -11 18 443.990 44.1707 23 -4 11 17-47.5389 49.5410 19 -4 11 17 14.4673 46.2724 17 -4 11 16 53.6079 53.7768 19 -4 11 16 181.681 53.0691 17 -4 11 15 238.745 59.9792 19 -4 11 15 255.545 58.1013 17 -4 -11 15 204.901 42.1158 14 -4 11 14 441.208 67.1325 19 -4 11 14 476.186 64.1494 17 -4 -11 14 400.640 49.0430 14 -4 -11 14 410.871 58.5041 23 -4 11 13 557.900 65.6438 17 -4 -11 13 537.854 52.8058 14 -4 -11 13 622.242 61.7334 23 -4 11 12 479.994 65.2799 19 -4 11 12 424.797 62.9025 17 -4 -11 12 393.913 49.3596 14 -4 -11 12 390.684 59.0285 23 -4 11 11 356.298 63.0746 19 -4 11 11 533.524 64.6084 17 -4 11 11 464.247 51.1329 23 -4 -11 11 394.674 57.9218 23 -4 11 10 258.826 60.9618 19 -4 -11 10 199.406 45.5777 15 -4 11 10 121.703 46.0604 23 -4 -11 10 168.990 53.3108 23 -4 11 9 2137.02 106.403 19 -4 -11 9 1928.50 91.4977 15 -4 11 9 1613.43 90.3890 24 -4 11 9 1782.36 94.5534 23 -4 -11 9 2013.10 99.1113 23 -4 11 8 964.211 74.0321 19 -4 -11 8 916.178 61.0806 15 -4 11 8 792.120 58.7565 24 -4 11 8 863.622 63.3545 23 -4 11 8 816.517 100.179 6 -4 -11 8 962.685 66.2889 23 -4 -11 8 959.003 62.5373 22 -4 -11 7 94.6601 43.4303 23 -4 11 7 166.490 53.6701 19 -4 -11 7 127.077 43.9917 15 -4 11 7 143.740 45.9744 23 -4 -11 7 99.5330 44.9553 22 -4 11 7 246.156 71.4157 6 -4 11 6 180.959 51.9968 19 -4 11 6 75.3165 49.2618 17 -4 -11 6 51.0487 42.6329 15 -4 -11 6 36.1868 38.7662 13 -4 11 6 145.056 45.9718 23 -4 -11 6 46.3919 45.7062 22 -4 -11 6 42.6181 39.0610 23 -4 11 6 54.6099 67.4695 6 -4 11 5 1830.68 96.1719 19 -4 11 5 1789.49 94.3443 17 -4 -11 5 1772.94 85.5582 13 -4 11 5 1697.78 121.081 6 -4 -11 5 1794.31 92.1851 22 -4 11 4 49.0327 38.6477 9 -4 11 4 128.244 46.7464 19 -4 11 4 112.453 48.2204 18 -4 11 4 94.1808 47.2558 17 -4 -11 4 99.5737 37.9544 13 -4 11 4-65.5652 60.7233 6 -4 11 3 2478.44 118.132 9 -4 11 3 2871.39 123.866 19 -4 11 3 2847.73 124.826 18 -4 11 3 2791.76 122.995 17 -4 -11 3 2628.87 116.107 13 -4 11 3 2506.06 120.158 11 -4 11 2 101.430 45.3304 19 -4 11 2 144.250 38.9206 9 -4 11 2 68.8270 46.0764 18 -4 11 2 63.9273 41.6055 11 -4 11 2 90.0358 44.9599 17 -4 -11 2 96.6439 38.7261 13 -4 11 2 140.655 36.9335 4 -4 11 1 250.176 42.7718 9 -4 11 1 339.645 50.8831 18 -4 11 1 320.194 48.2829 17 -4 -11 1 292.974 42.8652 13 -4 11 1 331.996 41.8396 4 -4 11 1 244.046 45.0406 11 -4 11 1 427.269 47.8832 12 -4 11 0 358.171 44.9648 9 -4 11 0 378.310 50.3087 18 -4 11 0 411.037 49.1351 17 -4 11 0 296.050 37.2249 3 -4 11 0 357.462 42.9018 4 -4 11 0 309.279 46.3724 10 -4 11 0 282.570 48.6658 12 -4 11 0 349.686 48.0109 11 -4 11 -1 46.1661 44.7246 18 -4 11 -1 111.214 40.3737 9 -4 11 -1 120.279 45.1426 17 -4 11 -1 118.730 33.8872 3 -4 11 -1 146.980 45.5604 12 -4 11 -1 80.7965 38.4284 4 -4 11 -1 117.139 44.7910 11 -4 11 -1 93.8536 44.1691 10 -4 -11 -2 1486.45 74.8289 5 -4 11 -2 1391.69 72.0807 3 -4 11 -2 1500.06 80.6105 17 -4 11 -2 1499.72 76.6055 4 -4 11 -2 1520.65 82.8896 12 -4 11 -2 1354.50 80.9847 11 -4 11 -3 4152.56 167.377 3 -4 -11 -3 4234.46 168.372 5 -4 11 -3 4066.59 172.457 17 -4 11 -3 3619.72 206.419 7 -4 11 -3 4329.96 172.051 4 -4 11 -3 4025.28 175.847 12 -4 11 -3 4183.15 175.259 11 -4 11 -3 4135.30 169.643 2 -4 11 -3 4130.98 176.259 10 -4 -11 -4 5089.39 203.995 5 -4 11 -4 4736.12 247.275 7 -4 11 -4 5137.88 211.648 16 -4 11 -4 5341.52 208.260 4 -4 11 -4 5209.66 212.925 12 -4 11 -4 5083.47 212.174 11 -4 11 -4 4948.64 204.023 3 -4 11 -4 5225.63 207.441 2 -4 11 -4 5312.27 214.234 10 -4 -11 -5 8305.07 322.751 5 -4 11 -5 8422.79 331.239 16 -4 11 -5 8752.80 328.810 4 -4 11 -5 8539.87 332.758 12 -4 11 -5 8084.49 326.867 2 -4 11 -5 8707.15 331.481 11 -4 11 -5 8475.81 333.198 10 -4 11 -5 8306.59 324.583 3 -4 11 -6 880.522 66.0620 16 -4 11 -6 831.647 60.5716 4 -4 11 -6 975.851 60.8576 2 -4 -11 -6 702.353 59.2121 22 -4 11 -6 862.986 68.0316 10 -4 11 -7 2783.78 125.324 16 -4 11 -7 2711.61 121.173 4 -4 11 -7 2580.95 121.461 2 -4 -11 -7 2655.66 117.627 22 -4 11 -7 2689.63 127.751 10 -4 11 -8 373.039 46.5144 2 -4 -11 -8 418.309 112.151 1 -4 11 -8 403.214 58.1375 12 -4 -11 -8 483.992 43.1163 22 -4 11 -8 343.009 48.8800 4 -4 11 -8 415.921 46.4454 20 -4 11 -9 2666.49 115.704 2 -4 11 -9 2567.08 120.961 12 -4 11 -9 2463.08 120.260 10 -4 11 -9 2358.51 112.029 20 -4 11 -10 270.049 43.9017 2 -4 11 -10 411.661 53.4139 12 -4 11 -10 287.719 41.5010 20 -4 11 -10 373.991 52.2053 10 -4 11 -11 825.276 55.6520 20 -4 11 -11 917.607 59.0050 2 -4 11 -11 919.222 65.6530 10 -4 11 -12 1996.13 95.5539 16 -4 11 -12 1895.55 96.2012 10 -4 11 -12 1754.93 90.1786 2 -4 11 -13 428.471 46.3249 16 -4 11 -13 407.661 42.0891 4 -4 11 -13 405.370 41.2913 2 -4 11 -13 355.773 46.6880 10 -4 11 -14-13.1938 30.6034 2 -4 11 -14 50.6269 29.7938 4 -4 11 -14 12.8204 34.6935 16 -4 11 -14 26.8896 34.1542 10 -4 11 -15 1.91266 24.8347 2 -4 11 -15 34.1642 29.1811 16 -4 11 -15-11.0351 28.5436 10 -4 11 -15 46.9878 25.5324 4 -4 12 19-6.72506 30.1452 17 -4 -12 19-25.0487 26.7719 23 -4 12 18 292.101 46.7229 19 -4 12 18 307.910 44.0701 17 -4 12 17 64.7057 47.2696 19 -4 12 17 53.8137 45.0285 17 -4 12 16 723.314 69.0375 19 -4 12 16 800.479 65.9660 17 -4 12 15 78.8708 55.9482 19 -4 12 15-39.9444 53.7330 17 -4 -12 15 31.0705 36.6615 14 -4 -12 15 18.7740 45.7282 23 -4 12 14 1870.41 101.036 19 -4 12 14 1752.29 98.4399 17 -4 -12 14 1627.23 82.9088 14 -4 -12 14 1541.73 91.5069 23 -4 12 13 396.315 65.8667 19 -4 12 13 507.849 63.8143 17 -4 -12 13 395.496 47.7147 14 -4 -12 13 412.945 56.8852 23 -4 12 12 174.860 59.1423 19 -4 12 12 201.204 56.7849 17 -4 -12 12 312.307 45.0818 14 -4 -12 12 130.831 51.1933 23 -4 12 11 128.598 57.3321 19 -4 12 11 1.32993 53.7654 17 -4 -12 11 17.5361 47.7815 23 -4 12 10 2586.85 129.721 19 -4 12 10 2629.83 127.111 17 -4 -12 10 2454.44 112.846 15 -4 -12 10 2581.59 122.462 23 -4 12 9 855.866 75.0643 19 -4 -12 9 805.244 58.5853 15 -4 -12 9 738.017 65.9198 23 -4 12 8 1633.79 93.3184 19 -4 -12 8 1400.85 77.7547 15 -4 -12 8 1477.90 79.6148 22 -4 -12 8 1384.15 82.2338 23 -4 12 7 2371.14 113.149 19 -4 -12 7 2127.53 100.359 15 -4 -12 7 2109.56 102.200 23 -4 -12 7 2156.56 103.159 22 -4 12 6 449.929 57.8023 19 -4 -12 6 387.368 48.4492 15 -4 -12 6 417.610 52.3229 22 -4 -12 6 345.302 44.1606 13 -4 -12 6 373.188 43.9099 23 -4 12 5 178.042 52.1371 19 -4 12 5 214.707 52.8684 18 -4 -12 5 189.458 38.6218 13 -4 12 4 295.016 42.7678 9 -4 12 4 261.875 51.4020 19 -4 12 4 249.799 52.5517 18 -4 12 4 311.843 52.2839 17 -4 -12 4 271.933 40.1728 13 -4 12 3 973.683 60.2551 9 -4 12 3 949.432 69.0331 19 -4 12 3 1070.59 70.2959 18 -4 12 3 947.680 67.6333 17 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12 -4 12 -2 1365.21 79.0345 11 -4 -12 -3 251.076 43.8993 5 -4 12 -3 319.646 49.4258 17 -4 12 -3 342.218 44.0940 2 -4 12 -3 260.794 40.5795 3 -4 12 -3 388.608 47.3153 4 -4 12 -3 301.347 51.3715 12 -4 12 -3 297.484 50.4126 11 -4 -12 -4 73.9440 40.6933 5 -4 12 -4 102.598 39.0670 2 -4 12 -4 44.9210 36.7047 3 -4 12 -4 70.6041 44.7528 16 -4 12 -4 92.9527 48.1748 12 -4 12 -4 78.5305 41.6482 4 -4 12 -4 11.7897 46.0515 11 -4 12 -4 34.6343 49.1995 10 -4 -12 -5 1446.96 75.6592 5 -4 12 -5 1506.12 76.0364 3 -4 12 -5 1575.82 84.6267 16 -4 12 -5 1513.22 79.6528 4 -4 12 -5 1412.27 84.5621 11 -4 12 -5 1555.97 86.6384 12 -4 12 -5 1471.75 79.7000 2 -4 12 -5 1419.09 87.6122 10 -4 12 -6 698.886 61.3575 16 -4 12 -6 759.496 57.8456 4 -4 12 -6 764.070 56.9066 2 -4 -12 -6 622.715 55.4724 22 -4 12 -6 632.819 65.3511 10 -4 12 -6 750.380 53.1749 3 -4 -12 -7 95.1076 39.8032 22 -4 12 -7 102.605 40.6683 2 -4 12 -7 48.8823 39.9340 4 -4 12 -7 108.246 44.9833 16 -4 12 -7 102.424 50.0567 10 -4 12 -8 3223.28 131.437 2 -4 12 -8 2991.56 134.563 16 -4 -12 -8 3090.09 204.624 1 -4 12 -8 2974.41 136.278 12 -4 -12 -8 2670.13 124.226 22 -4 12 -9 1952.68 99.0141 2 -4 12 -9 2153.80 105.044 16 -4 -12 -9 2083.17 167.838 1 -4 12 -9 2066.97 105.382 12 -4 12 -10 57.9578 38.5056 2 -4 12 -10 86.2652 47.7814 12 -4 12 -10 39.7140 46.5135 10 -4 12 -11-13.2372 36.2602 2 -4 12 -11 70.3007 44.7856 10 -4 12 -12 88.4543 35.6012 2 -4 12 -12 82.7643 36.0940 4 -4 12 -12 103.238 43.7648 10 -4 12 -13 16.7957 31.6652 2 -4 12 -13-8.01564 31.1078 4 -4 12 -13 61.4336 37.8004 10 -4 12 -14 24.1934 27.5883 2 -4 12 -14 62.3836 33.5008 16 -4 12 -14 15.1210 27.6467 4 -4 12 -14 50.3018 33.3261 10 -4 12 -15 190.001 26.5933 4 -4 12 -15 178.795 30.6160 10 -4 13 19 86.8115 26.6058 17 -4 13 18 0.66363 35.2320 17 -4 13 17 75.3731 41.7789 17 -4 13 16 54.2625 51.3765 19 -4 13 16 56.2792 46.5213 17 -4 -13 16 86.1453 40.6970 23 -4 13 15 45.1042 52.9645 19 -4 13 15-64.4416 49.9330 17 -4 -13 15 15.2700 43.9159 23 -4 13 14 421.885 64.9231 19 -4 13 14 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2711.82 126.513 9 -5 -12 -3 3004.94 123.493 5 -5 12 -3 3004.98 126.027 4 -5 12 -3 2740.76 132.171 12 -5 -12 -3 2662.81 128.103 22 -5 12 -3 2594.36 130.490 10 -5 12 -4 122.481 45.8878 9 -5 -12 -4 95.0843 42.3264 5 -5 12 -4 135.901 51.2679 12 -5 12 -4 137.837 41.4707 4 -5 -12 -4 64.6554 47.3881 22 -5 12 -4 32.3586 49.3740 10 -5 12 -5 439.970 48.3789 4 -5 12 -5 484.717 57.8561 12 -5 -12 -5 439.315 50.8538 22 -5 12 -5 410.370 57.7803 10 -5 12 -6 20.9783 33.7485 2 -5 -12 -6 30.2206 89.6444 1 -5 12 -6 80.1118 49.5673 12 -5 12 -6 86.6438 40.3072 4 -5 -12 -6 48.3815 40.8719 22 -5 12 -6 17.6822 47.7316 10 -5 12 -7 1017.64 61.9490 4 -5 -12 -7 798.359 57.1657 22 -5 12 -7 903.525 58.4710 2 -5 12 -7 1023.36 70.4661 10 -5 12 -8 114.142 34.8960 2 -5 12 -8 82.2571 38.0548 4 -5 12 -8 38.8851 46.2173 10 -5 12 -9 243.505 37.4062 2 -5 12 -9 289.789 41.4785 4 -5 12 -10 78.6401 31.8345 2 -5 12 -10 45.3840 34.8655 4 -5 12 -11 16.6584 28.4074 2 -5 12 -11 61.4566 31.4354 4 -5 12 -11 43.3905 38.8954 10 -5 12 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2.01404 40.6039 23 -5 13 9 51.3053 52.3233 19 -5 13 9-17.9636 51.3901 18 -5 13 9 76.7377 52.6953 17 -5 -13 9 39.5800 40.9650 15 -5 -13 9 21.1978 39.4661 23 -5 -13 9 30.8499 40.8477 22 -5 13 8 668.267 69.4565 19 -5 13 8 743.805 68.1107 18 -5 13 8 830.783 69.4463 17 -5 -13 8 921.808 58.7104 15 -5 -13 8 751.924 56.6102 23 -5 -13 8 864.408 60.8128 22 -5 13 7 40.7724 50.5230 19 -5 13 7-14.4519 49.6842 18 -5 13 7 63.6701 50.9252 17 -5 -13 7 104.351 42.4588 15 -5 -13 7 74.3803 46.3206 22 -5 13 6 178.667 53.0114 19 -5 13 6 202.921 52.5321 18 -5 13 6 251.218 55.1557 17 -5 -13 6 306.166 46.5971 15 -5 -13 6 274.831 52.1038 22 -5 13 5 78.1569 50.6478 18 -5 13 5 103.084 49.0654 17 -5 -13 5 100.785 43.5145 15 -5 -13 5 98.5608 39.9663 13 -5 13 5 121.945 42.0455 11 -5 -13 5 75.8654 49.3670 22 -5 13 4 338.199 57.1727 18 -5 13 4 444.958 56.7976 17 -5 -13 4 416.332 46.7597 13 -5 13 4 351.927 51.1095 11 -5 -13 4 461.721 58.5374 22 -5 13 3-3.88349 42.3832 9 -5 13 3 23.1874 48.7060 18 -5 13 3 152.627 49.6939 17 -5 -13 3 65.8017 41.3237 13 -5 13 3 86.9317 45.3838 11 -5 -13 3 39.1603 53.3746 22 -5 13 2 859.112 64.3039 9 -5 13 2 804.288 68.7447 18 -5 13 2 1018.70 70.4168 17 -5 -13 2 988.292 62.3946 13 -5 13 2 805.834 66.2081 12 -5 13 2 892.274 67.9896 11 -5 -13 2 851.436 72.1920 22 -5 13 1 3275.71 145.004 9 -5 13 1 3263.06 149.363 18 -5 13 1 3485.75 148.471 17 -5 -13 1 3373.92 143.158 13 -5 13 1 3150.59 147.929 12 -5 13 1 3259.11 148.491 11 -5 -13 1 3376.48 150.969 22 -5 -13 0 1328.64 72.4371 5 -5 13 0 1225.89 74.0088 9 -5 13 0 1336.26 77.8754 17 -5 -13 0 1265.85 72.5764 13 -5 13 0 1232.78 72.0329 4 -5 13 0 1077.65 77.8140 12 -5 13 0 1219.20 76.7075 11 -5 13 -1 380.199 49.2925 9 -5 -13 -1 449.634 49.6224 5 -5 13 -1 306.617 49.5574 17 -5 -13 -1 387.228 49.8440 13 -5 13 -1 406.013 58.2980 12 -5 13 -1 393.940 53.2667 11 -5 -13 -1 371.901 56.7743 22 -5 13 -1 363.421 46.3991 4 -5 13 -1 342.511 51.3230 10 -5 13 -2 403.893 50.9409 9 -5 -13 -2 588.321 51.4744 5 -5 -13 -2 422.361 50.7805 13 -5 13 -2 411.687 55.7495 12 -5 13 -2 355.990 52.9932 11 -5 13 -2 360.907 47.6941 4 -5 -13 -2 353.592 55.2733 22 -5 13 -2 500.130 55.0644 10 -5 13 -3 2045.99 99.6452 9 -5 -13 -3 1978.27 95.6004 5 -5 13 -3 1997.31 97.6247 4 -5 13 -3 2033.10 104.947 12 -5 -13 -3 2049.45 101.572 22 -5 13 -3 1933.65 104.324 10 -5 13 -4 628.212 56.6321 9 -5 -13 -4 566.515 49.8752 5 -5 13 -4 585.339 52.7074 4 -5 13 -4 626.428 63.3444 12 -5 -13 -4 670.108 56.5488 22 -5 13 -4 538.788 60.8837 10 -5 13 -5 32.6121 44.1955 9 -5 13 -5 115.597 50.7378 12 -5 13 -5 24.0668 38.9263 4 -5 -13 -5 21.9299 42.5857 22 -5 13 -5 9.49901 48.3754 10 -5 13 -6 3727.81 151.908 9 -5 13 -6 3608.28 149.585 4 -5 13 -6 3653.10 156.005 12 -5 -13 -6 3145.29 146.685 22 -5 13 -6 3408.76 156.116 10 -5 13 -7 3645.46 154.948 4 -5 -13 -7 3587.29 151.092 22 -5 13 -7 3787.94 162.158 10 -5 13 -8 231.949 41.7769 4 -5 13 -8 234.992 48.7942 10 -5 13 -9 1166.33 65.5672 4 -5 13 -9 1182.90 74.8697 10 -5 13 -10 162.817 34.2013 4 -5 13 -11 397.585 38.1851 4 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1369.80 75.2419 22 -5 14 8 308.103 55.7896 19 -5 14 8 201.025 54.1705 18 -5 -14 8 296.308 43.4644 15 -5 -14 8 194.340 37.2922 23 -5 -14 8 228.776 46.1926 22 -5 14 7 95.5690 52.3500 19 -5 14 7 120.351 53.5525 18 -5 14 7 133.515 52.2761 17 -5 -14 7 135.169 42.6716 15 -5 -14 7 189.142 47.6775 22 -5 14 6 273.200 56.8658 19 -5 14 6 410.350 57.6462 18 -5 14 6 353.049 55.8056 17 -5 -14 6 414.669 47.1892 15 -5 -14 6 358.598 52.7372 22 -5 14 5 458.244 59.2698 18 -5 14 5 468.267 57.3370 17 -5 -14 5 460.498 49.3270 15 -5 -14 5 469.132 45.7889 13 -5 14 5 354.954 50.3472 11 -5 -14 5 412.154 56.0453 22 -5 14 4 1942.67 103.643 18 -5 14 4 1954.48 102.186 17 -5 -14 4 2075.41 92.5702 13 -5 14 4 1683.11 98.8544 11 -5 -14 4 1954.99 101.163 22 -5 14 3 271.487 45.7253 9 -5 14 3 197.796 52.2859 18 -5 14 3 246.247 51.9389 17 -5 -14 3 184.204 41.3943 13 -5 14 3 205.011 49.4535 11 -5 -14 3 274.248 55.9602 22 -5 14 2 742.675 58.8752 9 -5 14 2 869.051 67.2125 18 -5 14 2 835.446 64.3080 17 -5 -14 2 743.647 55.5803 13 -5 14 2 746.188 61.3838 12 -5 14 2 677.533 62.3939 11 -5 -14 2 805.562 67.8151 22 -5 14 1 268.651 46.6910 9 -5 14 1 316.744 55.0011 18 -5 14 1 289.410 51.5661 17 -5 -14 1 285.007 44.7556 13 -5 14 1 255.125 51.4325 12 -5 14 1 262.101 50.9738 11 -5 -14 1 260.055 54.6834 22 -5 -14 0 1067.24 67.1768 5 -5 14 0 1131.71 68.4221 9 -5 14 0 1062.11 71.9533 17 -5 -14 0 1182.39 67.5450 13 -5 14 0 1183.31 68.7180 4 -5 14 0 1061.29 74.5688 12 -5 14 0 1096.89 74.0254 11 -5 14 -1 18.2937 42.3312 9 -5 -14 -1 33.2434 41.8625 5 -5 14 -1 18.3336 43.6524 17 -5 -14 -1 60.5648 41.8528 13 -5 14 -1 80.1208 48.7106 12 -5 14 -1 74.0097 45.3283 11 -5 14 -1 65.0618 41.1686 4 -5 14 -1 8.16010 42.3586 10 -5 14 -2 1134.66 71.6761 9 -5 -14 -2 1240.08 68.8027 5 -5 14 -2 1196.37 71.0217 4 -5 -14 -2 1242.47 70.5976 13 -5 14 -2 1210.10 79.5364 12 -5 14 -2 1225.15 75.9865 11 -5 -14 -2 1146.58 75.8063 22 -5 14 -2 1015.37 74.4716 10 -5 14 -3-22.9812 41.7784 9 -5 -14 -3-17.0717 40.2294 5 -5 -14 -3 56.0055 41.4122 13 -5 14 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-14 -13 95.9500 22.0609 13 -5 14 -13 104.606 26.6273 10 -5 15 17 5.82058 24.8451 17 -5 15 16 55.1961 32.9138 19 -5 15 16 40.2352 33.3979 17 -5 -15 16 33.7713 26.3288 23 -5 15 15-16.7953 37.9216 19 -5 15 15 64.7139 37.6288 17 -5 -15 15-1.15995 29.2005 23 -5 15 14 22.5241 42.6579 19 -5 15 14 15.9663 41.3080 17 -5 -15 14 16.5353 29.5055 14 -5 -15 14 30.9656 32.6089 23 -5 15 13 69.7005 46.8696 19 -5 15 13 208.392 47.0524 17 -5 -15 13 103.647 34.4983 14 -5 -15 13 168.209 36.9087 23 -5 15 12-102.383 49.7704 19 -5 15 12 24.7460 47.4806 17 -5 -15 12 1.23642 35.5869 14 -5 -15 12 23.7008 35.3737 23 -5 15 11 10.9990 50.2001 19 -5 15 11 29.9692 46.2253 18 -5 -15 11 14.5360 34.4878 23 -5 15 10 121.055 51.9320 19 -5 15 10 41.2334 49.6866 18 -5 -15 10 80.0700 34.1722 23 -5 15 9 9.14054 50.1030 19 -5 15 9 100.722 49.6153 18 -5 -15 9 35.3339 36.3312 15 -5 -15 9 44.6716 31.7224 23 -5 -15 9 29.2202 37.3695 22 -5 15 8 135.876 51.8005 19 -5 15 8 57.9966 51.4815 18 -5 -15 8 70.8273 38.5959 15 -5 -15 8 102.190 42.6030 22 -5 15 7 126.733 51.8635 19 -5 15 7 110.678 52.7477 18 -5 -15 7 102.187 39.1372 15 -5 -15 7 94.1129 45.1952 22 -5 15 6 1163.71 79.6758 18 -5 15 6 1150.10 79.1278 17 -5 -15 6 1143.25 67.5418 15 -5 15 6 946.611 71.1394 11 -5 -15 6 1265.07 74.8235 22 -5 15 5 364.639 58.9579 18 -5 15 5 412.162 58.0810 17 -5 -15 5 430.023 47.6157 15 -5 15 5 367.512 51.7903 11 -5 -15 5 365.476 55.4543 22 -5 15 4 1277.61 84.3410 18 -5 15 4 1283.14 83.1836 17 -5 -15 4 1426.62 75.4513 15 -5 -15 4 1397.24 71.9662 13 -5 15 4 1292.08 81.8742 11 -5 -15 4 1391.08 83.4245 22 -5 15 3 1006.58 74.0257 18 -5 15 3 1030.97 73.9453 17 -5 -15 3 1018.71 61.0702 13 -5 15 3 942.188 71.7153 11 -5 -15 3 986.610 73.7390 22 -5 15 2 40.2950 40.2332 9 -5 15 2 25.9044 50.5579 18 -5 15 2 15.2535 48.2765 17 -5 -15 2 27.8420 37.5148 13 -5 15 2 24.9895 43.2652 12 -5 15 2-13.5243 47.5044 11 -5 -15 2 16.8409 51.3080 22 -5 15 1 215.008 44.0160 9 -5 -15 1 214.174 44.4698 5 -5 15 1 291.962 50.1936 17 -5 -15 1 252.541 41.9573 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28.2284 14 -8 -12 9 95.4289 23.2020 21 -8 -12 8-15.9357 28.2086 14 -8 -12 7-6.54322 29.2542 14 -8 -12 6 63.3613 29.9929 15 -8 -12 6 24.5533 29.4023 14 -8 -12 5 786.376 46.7628 15 -8 -12 5 692.853 45.6564 14 -8 -12 4-33.8073 31.7923 5 -8 -12 4-27.3355 30.8740 15 -8 -12 4-14.1919 29.1996 14 -8 -12 3 336.266 37.1245 5 -8 -12 3 336.800 33.5212 14 -8 -12 2 146.543 31.8645 5 -8 -12 2 113.478 31.5570 13 -8 -12 1 279.667 33.9290 13 -8 -12 0 338.546 35.2622 15 -8 -12 0 382.171 35.2226 13 -8 -12 -1-2.86086 27.3163 15 -8 -12 -1 28.9362 26.6781 13 -8 -12 -2 28.0373 25.5792 15 -8 -12 -2 6.86396 25.1756 13 -8 -12 -3 325.856 29.9879 15 -8 -12 -3 484.629 31.8337 13 -8 -12 -4 21.5064 20.2051 15 -8 -12 -4-19.1600 21.7716 13 -8 -12 -5 241.581 22.2940 13 -8 -12 -6 174.223 17.4834 13 -8 -13 9 55.8246 24.8989 14 -8 -13 8 138.052 27.5831 14 -8 -13 7 904.763 48.1331 14 -8 -13 6 53.1554 27.7755 15 -8 -13 6 88.2056 27.7366 14 -8 -13 5 411.156 35.3335 15 -8 -13 5 347.015 34.1839 14 -8 -13 4 31.4955 27.9445 5 -8 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47.2960 20.0635 14 -8 -15 3 10.0081 22.1816 15 -8 -15 3 38.3219 19.1462 14 -8 -15 2 308.057 27.1691 15 -8 -15 1 38.6421 21.4345 15 -8 -16 3 8.57983 17.4851 15 -8 -16 2-3.27072 17.2885 15 -8 -16 1 149.678 19.0903 15 -8 -16 0 40.1081 15.3670 15 -9 0 5-23.3173 30.8534 8 -9 0 4 109.800 31.4990 8 -9 0 3-35.3570 30.0914 8 -9 0 2 0.51678 28.6199 8 -9 0 1-32.0498 29.6396 8 -9 0 0 364.437 34.9035 8 -9 0 -1 7.59591 26.7662 8 -9 0 -2 153.069 27.3677 8 -9 0 -3-30.0222 24.0657 8 -9 0 -4 44.8218 21.1174 8 -9 0 -5 7.39898 17.3495 8 -9 -1 5 292.625 34.4874 8 -9 1 5 346.788 36.0795 21 -9 -1 4 227.812 32.3188 8 -9 -1 3-7.55447 29.4654 8 -9 -1 2-17.2628 29.7929 8 -9 1 2 13.4817 30.9107 21 -9 -1 1 63.9409 28.9683 8 -9 1 1 165.048 30.0971 21 -9 -1 0 18.0966 27.4222 8 -9 -1 -1-0.46540 26.3402 8 -9 -1 -2 178.822 28.0058 8 -9 -1 -3 1.93076 22.3113 8 -9 -1 -4-6.29311 20.0787 8 -9 -1 -5 4.52875 16.3450 8 -9 -2 5-14.1746 28.9001 8 -9 2 5 0.33169 32.0321 21 -9 -2 5 58.5162 31.9627 21 -9 -2 4 40.4652 28.7720 8 -9 -2 3 143.755 30.8432 8 -9 -2 2 1314.68 64.8234 8 -9 2 2 1375.69 63.5535 21 -9 -2 2 1319.28 63.4074 21 -9 -2 1 77.1110 28.7792 8 -9 -2 1 51.6087 29.6127 21 -9 -2 0 95.5296 27.8819 8 -9 -2 -1 27.4538 25.4132 8 -9 -2 -2 958.559 49.0945 8 -9 -2 -3 86.0986 22.5142 8 -9 -2 -4 38.5576 19.2820 8 -9 2 -5 83.8316 18.0307 8 -9 -2 -5 145.063 18.1015 8 -9 -3 8-9.82104 26.8508 21 -9 -3 7 310.187 32.8985 21 -9 -3 6-19.7136 30.3701 21 -9 -3 5 557.068 38.9088 8 -9 -3 5 566.832 39.4408 21 -9 3 4 7.24076 28.6439 8 -9 -3 4 59.3383 28.1080 8 -9 3 3 3.40687 28.8618 8 -9 -3 3-65.8641 28.6799 8 -9 3 2 134.990 31.2552 8 -9 -3 2 193.777 30.2330 8 -9 -3 2 171.019 31.9026 21 -9 3 1 38.6802 28.4352 8 -9 -3 1 54.3131 27.3990 8 -9 -3 1 79.6958 29.2349 21 -9 3 0 187.422 29.7393 8 -9 -3 0 192.828 28.9801 8 -9 -3 0 150.380 28.4831 21 -9 3 -1-18.9258 25.8327 8 -9 -3 -1-0.83289 24.2888 8 -9 3 -2 105.304 25.3255 8 -9 -3 -2 153.110 25.5320 8 -9 3 -3 79.4941 23.0132 8 -9 -3 -3 139.185 22.2293 8 -9 3 -4 103.250 20.9836 8 -9 -3 -4 157.113 19.9205 8 -9 -3 -5 96.2785 15.4753 8 -9 -4 9 10.1614 24.0947 21 -9 -4 8 164.874 27.7197 21 -9 -4 7-21.7788 27.8905 21 -9 -4 6 55.9490 30.1336 21 -9 -4 5 124.539 31.6721 21 -9 4 4 10.5150 28.4648 8 -9 -4 4-1.71358 26.5426 8 -9 4 3 369.903 34.1668 8 -9 -4 3 352.916 32.4707 8 -9 4 2 1.36915 27.4457 8 -9 -4 2 9.80857 25.2408 8 -9 -4 2 13.5968 29.3348 21 -9 4 1-36.1156 27.2591 8 -9 -4 1 31.5864 25.4259 8 -9 -4 1 34.4387 28.7453 21 -9 4 0-3.88789 25.4574 8 -9 -4 0-10.1003 23.9862 8 -9 -4 0-10.7139 26.2607 21 -9 4 -1-2.43384 24.6505 8 -9 -4 -1-4.93281 23.1800 8 -9 4 -2-2.93303 22.4444 8 -9 -4 -2-14.5604 20.8622 8 -9 4 -3 56.2885 21.3072 8 -9 -4 -3 2.71569 19.1261 8 -9 4 -4 18.3827 17.1230 8 -9 -4 -4-1.97978 16.4977 8 -9 -5 9 27.3450 23.1554 21 -9 -5 8 64.3120 25.8608 21 -9 -5 7 6.13243 26.9970 21 -9 -5 6 142.155 29.8731 21 -9 -5 5 51.3156 29.9352 21 -9 5 4-32.6315 27.3193 8 -9 -5 4-11.8080 25.4663 8 -9 -5 4 6.54765 29.7854 21 -9 5 3-10.1550 27.0047 8 -9 -5 3 5.49510 25.0838 8 -9 5 2-4.60211 26.3038 8 -9 -5 2-0.38863 24.5274 8 -9 -5 2-26.7224 28.5048 21 -9 5 1-12.5492 25.1351 8 -9 -5 1 1.52193 23.3347 8 -9 -5 1 35.5824 27.4782 21 -9 5 0 97.1471 25.2464 8 -9 -5 0 90.6047 24.0740 8 -9 -5 0 72.4394 25.2967 21 -9 5 -1 37.2148 23.3188 8 -9 -5 -1 15.8141 21.6538 8 -9 -5 -2 202.443 22.6785 8 -9 5 -2 133.097 23.5273 8 -9 -5 -2 141.441 23.9518 13 -9 5 -3 140.684 21.1495 8 -9 -5 -3 141.430 21.5649 13 -9 -6 9 38.5232 21.6629 21 -9 -6 8 113.595 24.8023 21 -9 -6 7-29.9634 26.2828 21 -9 -6 6 63.1144 27.4347 21 -9 -6 5 40.1850 28.6562 21 -9 -6 4-51.8802 29.4818 21 -9 6 3 57.7555 25.7957 8 -9 -6 3 29.9840 23.5695 8 -9 6 2 39.7786 24.5354 8 -9 -6 2 14.7392 23.1811 8 -9 -6 2 22.9626 28.1967 21 -9 6 1 22.7255 24.2422 8 -9 -6 1-16.1322 22.4020 8 -9 -6 1 47.5015 26.7600 21 -9 6 0 2.99168 22.3609 8 -9 -6 0-12.0449 20.4935 8 -9 -6 0-0.22988 24.0170 21 -9 6 -1-1.19672 20.4806 8 -9 -6 -1 7.61267 19.5246 8 -9 6 -2 56.7614 19.4241 8 -9 -6 -2 66.6694 17.9836 8 -9 -6 -2 71.8649 21.6650 13 -9 -6 -3 20.9154 18.3217 13 -9 -7 8 34.3313 22.2899 21 -9 -7 7 103.674 25.3366 21 -9 -7 6 22.0931 26.0491 21 -9 -7 5 33.7501 27.1703 21 -9 -7 4-21.6881 27.8015 21 -9 -7 2-21.9447 20.8309 8 -9 -7 1 33.4205 20.0186 8 -9 -7 1 38.9441 25.1472 21 -9 -7 0 78.7356 19.4982 8 -9 -7 0 91.5810 23.5561 21 -9 -7 -1 170.842 19.2729 8 -9 -8 8 48.0123 20.4507 21 -9 -8 7 10.5107 22.6203 21 -9 -8 6-6.33624 24.3869 21 -9 -8 5 137.218 27.0859 21 -9 -8 4-58.8412 25.9449 21 -9 -8 1 77.8882 23.4120 21 -9 -8 0 13.1510 21.0134 21 -9 -9 7 7.67858 20.3338 21 -9 -9 6 137.995 23.2025 21 -9 -9 5 284.138 27.2275 21 -9 -9 4 101.369 24.5658 21 -9 -9 1 133.995 22.0169 21 -9 -9 0 44.1495 18.4485 21 -9 -10 6 111.857 20.1819 21 -9 -10 5 242.080 23.8466 21 -9 -10 4 162.451 22.5430 21 -9 -10 1 199.487 20.6684 21 -9 -11 5-3.16348 16.3770 21 -9 -11 4 92.9049 17.7419 21 0 0 0 0.00 0.00 0 TITL TS-049 in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 1.54184 7.777619 22.582274 18.233765 90.0000 99.3289 90.0000 ZERR 1.00 0.000186 0.000552 0.000516 0.0000 0.0024 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O F S UNIT 104.00 96.00 16.00 24.00 24.00 16.00 TREF HKLF 4 END ; _shelx_hkl_checksum 49142 _shelx_res_file ; TITL shelxt_a.res in P2(1)/c ts-049.res created by SHELXL-2017/1 at 07:41:37 on 31-May-2019 REM Old TITL TS-049 in P2(1)/c REM SHELXT solution in P2(1)/c REM R1 0.183, Rweak 0.049, Alpha 0.051, Orientation as input REM Formula found by SHELXT: C26 N4 O6 F6 S4 CELL 1.54184 7.7776 22.5823 18.2338 90.000 99.329 90.000 ZERR 4.000 0.0002 0.0006 0.0005 0.000 0.002 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z SFAC C H N O F S UNIT 104 96 16 24 24 16 L.S. 10 BOND $H temp -103 omit -4 133 acta LIST 4 FMAP 2 PLAN 20 WGHT 0.086800 6.257800 FVAR 1.80221 S1 6 0.351256 0.568347 0.251126 11.00000 0.05615 0.06559 = 0.05846 -0.01521 0.00236 -0.00767 N1 3 0.334807 0.504020 0.378039 11.00000 0.04431 0.03518 = 0.07521 -0.00639 -0.01193 -0.00070 O1 4 -0.039937 0.413886 0.213986 11.00000 0.11746 0.04377 = 0.10674 0.01180 0.03759 0.01123 F1 5 0.068868 0.511487 0.127516 11.00000 0.06483 0.07550 = 0.07570 0.01226 0.00566 -0.00920 C1 1 0.550128 0.610700 0.271732 11.00000 0.06538 0.07258 = 0.07301 -0.00293 0.00039 -0.02367 AFIX 137 H1A 2 0.579226 0.627305 0.225622 11.00000 -1.50000 H1AB 2 0.644929 0.584853 0.294772 11.00000 -1.50000 H1AC 2 0.534172 0.642930 0.305987 11.00000 -1.50000 AFIX 0 C2 1 0.391447 0.448635 0.348908 11.00000 0.06451 0.03959 = 0.10465 -0.01113 -0.00738 0.00753 AFIX 137 H2A 2 0.289278 0.425239 0.327712 11.00000 -1.50000 H2AB 2 0.461306 0.426270 0.389191 11.00000 -1.50000 H2AC 2 0.461914 0.457087 0.310199 11.00000 -1.50000 AFIX 0 S2 6 0.497295 0.800315 0.259352 11.00000 0.07484 0.06021 = 0.06943 0.00421 0.02176 0.01059 N2 3 0.244377 0.595647 0.382501 11.00000 0.04557 0.03356 = 0.04967 -0.00045 -0.00493 -0.00438 O2 4 -0.299737 0.468311 0.223240 11.00000 0.05859 0.10352 = 0.09921 -0.02305 0.01710 -0.01772 F2 5 -0.186224 0.484307 0.078598 11.00000 0.10397 0.08989 = 0.07125 -0.00613 -0.02368 -0.02651 S3 6 -0.116789 0.470002 0.223677 11.00000 0.05194 0.04297 = 0.06581 -0.00668 0.00441 -0.00737 N3 3 0.310932 0.808861 0.375159 11.00000 0.04971 0.03312 = 0.05610 -0.00185 0.00194 -0.00026 O3 4 -0.023361 0.507641 0.279775 11.00000 0.07546 0.06816 = 0.06137 -0.00940 -0.00182 -0.02414 F3 5 -0.148635 0.565409 0.140186 11.00000 0.11463 0.05261 = 0.10973 0.01451 -0.00792 0.02208 C3 1 0.310911 0.555446 0.340051 11.00000 0.03922 0.03793 = 0.06594 -0.00636 -0.00709 -0.00161 C4 1 0.280336 0.510837 0.445599 11.00000 0.03915 0.04102 = 0.06943 0.00727 -0.01087 -0.00341 S4 6 0.772373 0.720914 0.485876 11.00000 0.06098 0.04181 = 0.07672 0.00669 -0.00299 0.00668 N4 3 0.524805 0.872266 0.381516 11.00000 0.05050 0.03546 = 0.07269 0.00948 0.00372 0.00018 O4 4 0.680642 0.667219 0.469707 11.00000 0.10523 0.05096 = 0.17208 0.01175 -0.05190 -0.00948 F4 5 0.775969 0.701079 0.626761 11.00000 0.17650 0.18959 = 0.10668 0.06330 0.02819 0.01949 C5 1 0.272861 0.471540 0.504632 11.00000 0.05367 0.04326 = 0.09433 0.01705 -0.02112 -0.00415 AFIX 43 H5 2 0.310860 0.431642 0.503126 11.00000 -1.20000 AFIX 0 O5 4 0.956999 0.716086 0.500767 11.00000 0.06063 0.07732 = 0.10651 0.00195 0.00528 0.01199 F5 5 0.554324 0.749465 0.573270 11.00000 0.15560 0.27441 = 0.18823 0.08655 0.11043 0.08011 O6 4 0.703840 0.768576 0.439878 11.00000 0.10337 0.06330 = 0.09277 0.02231 0.01123 0.03183 F6 5 0.800410 0.792614 0.598585 11.00000 0.29651 0.14578 = 0.10448 -0.04742 0.02225 0.02172 C6 1 0.208742 0.493407 0.563807 11.00000 0.06683 0.07035 = 0.06856 0.02990 -0.01132 -0.01499 AFIX 43 H6 2 0.200375 0.467634 0.604257 11.00000 -1.20000 AFIX 0 C7 1 0.154373 0.551938 0.568266 11.00000 0.05885 0.07223 = 0.06113 0.01267 -0.00589 -0.00877 AFIX 43 H7 2 0.112974 0.565088 0.611725 11.00000 -1.20000 AFIX 0 C8 1 0.159761 0.591278 0.510265 11.00000 0.05291 0.05646 = 0.05440 0.00904 -0.00375 -0.00085 AFIX 43 H8 2 0.120478 0.631015 0.511917 11.00000 -1.20000 AFIX 0 C9 1 0.225043 0.569329 0.450647 11.00000 0.04298 0.04023 = 0.05346 0.00601 -0.00557 -0.00362 C25 1 -0.094322 0.509241 0.138709 11.00000 0.05554 0.04565 = 0.06351 -0.00589 -0.01392 -0.00127 C10 1 0.177963 0.653087 0.358655 11.00000 0.04788 0.03339 = 0.04384 -0.00099 -0.00156 0.00022 C13 1 0.041072 0.762447 0.315633 11.00000 0.05409 0.03994 = 0.06407 0.00644 -0.00186 0.00587 AFIX 43 H13 2 -0.005869 0.800385 0.301595 11.00000 -1.20000 AFIX 0 C12 1 -0.055324 0.712150 0.296721 11.00000 0.05164 0.05234 = 0.07233 0.00163 -0.01683 -0.00007 AFIX 43 H12 2 -0.169567 0.715418 0.269176 11.00000 -1.20000 AFIX 0 C11 1 0.011943 0.656841 0.317295 11.00000 0.04886 0.04233 = 0.06456 -0.00169 -0.00975 -0.00540 AFIX 43 H11 2 -0.054144 0.622075 0.303404 11.00000 -1.20000 AFIX 0 C15 1 0.277725 0.702644 0.378111 11.00000 0.04257 0.03721 = 0.04603 -0.00295 -0.00322 0.00080 AFIX 43 H15 2 0.391374 0.699598 0.406269 11.00000 -1.20000 AFIX 0 C14 1 0.207009 0.757015 0.355305 11.00000 0.05293 0.03409 = 0.04659 -0.00254 0.00264 -0.00273 C16 1 0.315327 0.840643 0.441344 11.00000 0.05327 0.03432 = 0.05409 -0.00243 0.00067 0.00542 C17 1 0.214393 0.836218 0.496313 11.00000 0.06715 0.04173 = 0.06655 -0.01007 -0.00013 -0.00029 AFIX 43 H17 2 0.120517 0.808961 0.493525 11.00000 -1.20000 AFIX 0 C18 1 0.258771 0.874292 0.556315 11.00000 0.08909 0.05844 = 0.05661 -0.00886 0.00949 0.00554 AFIX 43 H18 2 0.194119 0.873057 0.596247 11.00000 -1.20000 AFIX 0 C19 1 0.396777 0.914387 0.559033 11.00000 0.09627 0.04803 = 0.06786 -0.01323 -0.01774 -0.00174 AFIX 43 H19 2 0.421558 0.940111 0.600630 11.00000 -1.20000 AFIX 0 C26 1 0.716632 0.741284 0.574368 11.00000 0.12182 0.12169 = 0.09393 0.04180 0.03357 0.03589 C20 1 0.496716 0.918059 0.504717 11.00000 0.06940 0.03898 = 0.07634 -0.00253 -0.01479 -0.00384 AFIX 43 H20 2 0.591175 0.945075 0.507464 11.00000 -1.20000 AFIX 0 C21 1 0.452257 0.879689 0.444488 11.00000 0.05622 0.02467 = 0.06246 0.00465 -0.01120 0.00022 C22 1 0.677869 0.904454 0.364402 11.00000 0.05838 0.05267 = 0.10264 0.01555 0.00806 -0.01200 AFIX 137 H22A 2 0.706455 0.890325 0.317005 11.00000 -1.50000 H22B 2 0.777133 0.897555 0.403977 11.00000 -1.50000 H22C 2 0.652004 0.946926 0.360821 11.00000 -1.50000 AFIX 0 C23 1 0.438792 0.828793 0.340294 11.00000 0.05256 0.03363 = 0.05960 0.00915 0.00242 0.00400 C24 1 0.305820 0.815022 0.193087 11.00000 0.11162 0.10085 = 0.05928 0.00175 0.00759 0.03222 AFIX 137 H24A 2 0.334857 0.813690 0.142782 11.00000 -1.50000 H24B 2 0.260693 0.854357 0.202400 11.00000 -1.50000 H24C 2 0.217090 0.785069 0.197802 11.00000 -1.50000 AFIX 0 HKLF 4 REM shelxt_a.res in P2(1)/c REM R1 = 0.0730 for 4631 Fo > 4sig(Fo) and 0.0834 for all 5564 data REM 419 parameters refined using 0 restraints END WGHT 0.0868 6.2582 REM Highest difference peak 0.685, deepest hole -0.390, 1-sigma level 0.073 Q1 1 0.6873 0.7180 0.5197 11.00000 0.05 0.69 Q2 1 -0.0814 0.4790 0.1762 11.00000 0.05 0.58 Q3 1 0.5601 0.6876 0.5610 11.00000 0.05 0.50 Q4 1 0.3130 0.5643 0.2997 11.00000 0.05 0.49 Q5 1 0.4341 0.8034 0.3040 11.00000 0.05 0.42 Q6 1 0.1867 0.8179 0.5516 11.00000 0.05 0.40 Q7 1 0.4063 0.5373 0.2820 11.00000 0.05 0.40 Q8 1 -0.0990 0.4512 0.0918 11.00000 0.05 0.36 Q9 1 0.6542 0.7263 0.5788 11.00000 0.05 0.35 Q10 1 0.0901 0.8494 0.4988 11.00000 0.05 0.34 Q11 1 0.6447 0.7637 0.4816 11.00000 0.05 0.34 Q12 1 0.0082 0.5038 0.2383 11.00000 0.05 0.31 Q13 1 0.8652 0.6886 0.5065 11.00000 0.05 0.31 Q14 1 0.8599 0.6712 0.6144 11.00000 0.05 0.30 Q15 1 -0.3062 0.4947 0.1760 11.00000 0.05 0.30 Q16 1 0.3855 0.6099 0.2646 11.00000 0.05 0.29 Q17 1 -0.1639 0.4288 0.2080 11.00000 0.05 0.29 Q18 1 -0.2250 0.4785 0.2483 11.00000 0.05 0.28 Q19 1 0.8112 0.7183 0.5806 11.00000 0.05 0.28 Q20 1 0.7888 0.7429 0.5999 11.00000 0.05 0.28 ; _shelx_res_checksum 41085 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group S S1 0.35126(16) 0.56835(6) 0.25113(7) 0.0608(4) Uani d 1 . . N N1 0.3348(5) 0.50402(16) 0.3780(2) 0.0540(10) Uani d 1 . . O O1 -0.0399(6) 0.41389(17) 0.2140(3) 0.0872(13) Uani d 1 . . F F1 0.0689(4) 0.51149(15) 0.12752(18) 0.0726(8) Uani d 1 . . C C1 0.5501(7) 0.6107(3) 0.2717(3) 0.0715(15) Uani d 1 . . H H1A 0.579226 0.627305 0.225622 0.107 Uiso calc 1 . . H H1AB 0.644929 0.584853 0.294772 0.107 Uiso calc 1 . . H H1AC 0.534172 0.642930 0.305987 0.107 Uiso calc 1 . . C C2 0.3914(7) 0.4486(2) 0.3489(4) 0.0719(16) Uani d 1 . . H H2A 0.289278 0.425239 0.327712 0.108 Uiso calc 1 . . H H2AB 0.461306 0.426270 0.389191 0.108 Uiso calc 1 . . H H2AC 0.461914 0.457087 0.310199 0.108 Uiso calc 1 . . S S2 0.49729(19) 0.80031(6) 0.25935(8) 0.0670(4) Uani d 1 . . N N2 0.2444(4) 0.59565(15) 0.3825(2) 0.0443(8) Uani d 1 . . O O2 -0.2997(5) 0.4683(2) 0.2232(3) 0.0866(13) Uani d 1 . . F F2 -0.1862(5) 0.48431(17) 0.0786(2) 0.0926(11) Uani d 1 . . S S3 -0.11679(15) 0.47000(5) 0.22368(7) 0.0541(3) Uani d 1 . . N N3 0.3109(5) 0.80886(15) 0.3752(2) 0.0470(9) Uani d 1 . . O O3 -0.0234(5) 0.50764(17) 0.2798(2) 0.0698(10) Uani d 1 . . F F3 -0.1486(5) 0.56541(14) 0.1402(2) 0.0952(12) Uani d 1 . . C C3 0.3109(5) 0.55545(19) 0.3401(3) 0.0494(11) Uani d 1 . . C C4 0.2803(5) 0.5108(2) 0.4456(3) 0.0520(11) Uani d 1 . . S S4 0.77237(17) 0.72091(5) 0.48588(8) 0.0614(4) Uani d 1 . . N N4 0.5248(5) 0.87227(16) 0.3815(2) 0.0536(10) Uani d 1 . . O O4 0.6806(7) 0.66722(19) 0.4697(4) 0.118(2) Uani d 1 . . F F4 0.7760(9) 0.7011(3) 0.6268(3) 0.157(2) Uani d 1 . . C C5 0.2729(7) 0.4715(2) 0.5046(4) 0.0674(16) Uani d 1 . . H H5 0.310860 0.431642 0.503126 0.081 Uiso calc 1 . . O O5 0.9570(5) 0.71609(19) 0.5008(3) 0.0824(12) Uani d 1 . . F F5 0.5543(10) 0.7495(4) 0.5733(4) 0.197(4) Uani d 1 . . O O6 0.7038(6) 0.76858(18) 0.4399(3) 0.0870(13) Uani d 1 . . F F6 0.8004(12) 0.7926(3) 0.5986(3) 0.183(3) Uani d 1 . . C C6 0.2087(7) 0.4934(3) 0.5638(3) 0.0711(16) Uani d 1 . . H H6 0.200375 0.467634 0.604257 0.085 Uiso calc 1 . . C C7 0.1544(7) 0.5519(3) 0.5683(3) 0.0658(14) Uani d 1 . . H H7 0.112974 0.565088 0.611725 0.079 Uiso calc 1 . . C C8 0.1598(6) 0.5913(2) 0.5103(3) 0.0560(12) Uani d 1 . . H H8 0.120478 0.631015 0.511917 0.067 Uiso calc 1 . . C C9 0.2250(5) 0.56933(19) 0.4506(3) 0.0470(10) Uani d 1 . . C C25 -0.0943(6) 0.5092(2) 0.1387(3) 0.0575(12) Uani d 1 . . C C10 0.1780(5) 0.65309(18) 0.3587(2) 0.0427(9) Uani d 1 . . C C13 0.0411(6) 0.7624(2) 0.3156(3) 0.0540(11) Uani d 1 . . H H13 -0.005869 0.800385 0.301595 0.065 Uiso calc 1 . . C C12 -0.0553(7) 0.7121(2) 0.2967(3) 0.0618(13) Uani d 1 . . H H12 -0.169567 0.715418 0.269176 0.074 Uiso calc 1 . . C C11 0.0119(6) 0.6568(2) 0.3173(3) 0.0540(11) Uani d 1 . . H H11 -0.054144 0.622075 0.303404 0.065 Uiso calc 1 . . C C15 0.2777(5) 0.70264(18) 0.3781(2) 0.0431(9) Uani d 1 . . H H15 0.391374 0.699598 0.406269 0.052 Uiso calc 1 . . C C14 0.2070(6) 0.75701(18) 0.3553(2) 0.0451(10) Uani d 1 . . C C16 0.3153(6) 0.84064(18) 0.4413(3) 0.0481(10) Uani d 1 . . C C17 0.2144(7) 0.8362(2) 0.4963(3) 0.0597(13) Uani d 1 . . H H17 0.120517 0.808961 0.493525 0.072 Uiso calc 1 . . C C18 0.2588(8) 0.8743(2) 0.5563(3) 0.0683(14) Uani d 1 . . H H18 0.194119 0.873057 0.596247 0.082 Uiso calc 1 . . C C19 0.3968(9) 0.9144(2) 0.5590(3) 0.0742(17) Uani d 1 . . H H19 0.421558 0.940111 0.600630 0.089 Uiso calc 1 . . C C26 0.7166(13) 0.7413(5) 0.5744(5) 0.111(3) Uani d 1 . . C C20 0.4967(7) 0.9181(2) 0.5047(3) 0.0645(14) Uani d 1 . . H H20 0.591175 0.945075 0.507464 0.077 Uiso calc 1 . . C C21 0.4523(6) 0.87969(17) 0.4445(3) 0.0501(11) Uani d 1 . . C C22 0.6779(7) 0.9045(2) 0.3644(4) 0.0718(16) Uani d 1 . . H H22A 0.706455 0.890325 0.317005 0.108 Uiso calc 1 . . H H22B 0.777133 0.897555 0.403977 0.108 Uiso calc 1 . . H H22C 0.652004 0.946926 0.360821 0.108 Uiso calc 1 . . C C23 0.4388(6) 0.82879(18) 0.3403(3) 0.0493(10) Uani d 1 . . C C24 0.3058(10) 0.8150(3) 0.1931(4) 0.091(2) Uani d 1 . . H H24A 0.334857 0.813690 0.142782 0.137 Uiso calc 1 . . H H24B 0.260693 0.854357 0.202400 0.137 Uiso calc 1 . . H H24C 0.217090 0.785069 0.197802 0.137 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 S1 0.0561(7) 0.0656(8) 0.0585(7) -0.0077(6) 0.0024(5) -0.0152(6) N1 0.044(2) 0.0352(19) 0.075(3) -0.0007(15) -0.0119(19) -0.0064(18) O1 0.117(3) 0.044(2) 0.107(3) 0.011(2) 0.038(3) 0.012(2) F1 0.0648(18) 0.076(2) 0.076(2) -0.0092(15) 0.0057(15) 0.0123(16) C1 0.065(3) 0.073(4) 0.073(4) -0.024(3) 0.000(3) -0.003(3) C2 0.065(3) 0.040(3) 0.105(5) 0.008(2) -0.007(3) -0.011(3) S2 0.0748(8) 0.0602(8) 0.0694(9) 0.0106(6) 0.0218(7) 0.0042(6) N2 0.0456(19) 0.0336(17) 0.050(2) -0.0044(14) -0.0049(15) -0.0005(15) O2 0.059(2) 0.104(3) 0.099(3) -0.018(2) 0.017(2) -0.023(3) F2 0.104(3) 0.090(2) 0.071(2) -0.027(2) -0.0237(19) -0.0061(18) S3 0.0519(6) 0.0430(6) 0.0658(7) -0.0074(5) 0.0044(5) -0.0067(5) N3 0.050(2) 0.0331(18) 0.056(2) -0.0003(15) 0.0019(17) -0.0019(16) O3 0.075(2) 0.068(2) 0.061(2) -0.0241(18) -0.0018(18) -0.0094(18) F3 0.115(3) 0.0526(19) 0.110(3) 0.0221(18) -0.008(2) 0.0145(18) C3 0.039(2) 0.038(2) 0.066(3) -0.0016(17) -0.0071(19) -0.006(2) C4 0.039(2) 0.041(2) 0.069(3) -0.0034(18) -0.011(2) 0.007(2) S4 0.0610(7) 0.0418(6) 0.0767(9) 0.0067(5) -0.0030(6) 0.0067(6) N4 0.050(2) 0.0355(19) 0.073(3) 0.0002(16) 0.0037(19) 0.0095(18) O4 0.105(4) 0.051(2) 0.172(5) -0.009(2) -0.052(3) 0.012(3) F4 0.177(5) 0.190(6) 0.107(4) 0.019(4) 0.028(4) 0.063(4) C5 0.054(3) 0.043(3) 0.094(4) -0.004(2) -0.021(3) 0.017(3) O5 0.061(2) 0.077(3) 0.107(3) 0.0120(19) 0.005(2) 0.002(2) F5 0.156(5) 0.274(9) 0.188(6) 0.080(6) 0.110(5) 0.087(6) O6 0.103(3) 0.063(2) 0.093(3) 0.032(2) 0.011(2) 0.022(2) F6 0.297(10) 0.146(5) 0.104(4) 0.022(6) 0.022(5) -0.047(4) C6 0.067(3) 0.070(4) 0.069(4) -0.015(3) -0.011(3) 0.030(3) C7 0.059(3) 0.072(4) 0.061(3) -0.009(3) -0.006(2) 0.013(3) C8 0.053(3) 0.056(3) 0.054(3) -0.001(2) -0.004(2) 0.009(2) C9 0.043(2) 0.040(2) 0.053(3) -0.0036(18) -0.0056(19) 0.0060(19) C25 0.056(3) 0.046(3) 0.064(3) -0.001(2) -0.014(2) -0.006(2) C10 0.048(2) 0.033(2) 0.044(2) 0.0002(17) -0.0016(18) -0.0010(17) C13 0.054(3) 0.040(2) 0.064(3) 0.0059(19) -0.002(2) 0.006(2) C12 0.052(3) 0.052(3) 0.072(3) 0.000(2) -0.017(2) 0.002(2) C11 0.049(2) 0.042(2) 0.065(3) -0.0054(19) -0.010(2) -0.002(2) C15 0.043(2) 0.037(2) 0.046(2) 0.0008(17) -0.0032(17) -0.0030(17) C14 0.053(2) 0.034(2) 0.047(2) -0.0027(18) 0.0026(19) -0.0025(17) C16 0.053(2) 0.034(2) 0.054(3) 0.0054(18) 0.001(2) -0.0024(18) C17 0.067(3) 0.042(3) 0.067(3) 0.000(2) 0.000(2) -0.010(2) C18 0.089(4) 0.058(3) 0.057(3) 0.006(3) 0.009(3) -0.009(2) C19 0.096(4) 0.048(3) 0.068(4) -0.002(3) -0.018(3) -0.013(3) C26 0.122(7) 0.122(7) 0.094(6) 0.036(5) 0.034(5) 0.042(5) C20 0.069(3) 0.039(3) 0.076(4) -0.004(2) -0.015(3) -0.003(2) C21 0.056(3) 0.025(2) 0.062(3) 0.0002(17) -0.011(2) 0.0046(18) C22 0.058(3) 0.053(3) 0.103(5) -0.012(2) 0.008(3) 0.016(3) C23 0.053(2) 0.034(2) 0.060(3) 0.0040(18) 0.002(2) 0.0091(19) C24 0.112(5) 0.101(5) 0.059(3) 0.032(4) 0.008(3) 0.002(3) 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' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -1 8 -9 0.0362 0 -8 10 0.0329 -4 0 8 0.0147 0 -13 -6 0.0078 2 13 -2 0.0067 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C3 S1 C1 . . 100.0(2) ? C3 N1 C4 . . 109.1(4) ? C3 N1 C2 . . 125.2(5) ? C4 N1 C2 . . 125.4(4) ? S1 C1 H1A . . 109.5 ? S1 C1 H1AB . . 109.5 ? H1A C1 H1AB . . 109.5 ? S1 C1 H1AC . . 109.5 ? H1A C1 H1AC . . 109.5 ? H1AB C1 H1AC . . 109.5 ? N1 C2 H2A . . 109.5 ? N1 C2 H2AB . . 109.5 ? H2A C2 H2AB . . 109.5 ? N1 C2 H2AC . . 109.5 ? H2A C2 H2AC . . 109.5 ? H2AB C2 H2AC . . 109.5 ? C23 S2 C24 . . 101.6(3) ? C3 N2 C9 . . 109.2(4) ? C3 N2 C10 . . 125.9(4) ? C9 N2 C10 . . 124.3(4) ? O2 S3 O1 . . 114.5(3) ? O2 S3 O3 . . 114.3(3) ? O1 S3 O3 . . 116.2(3) ? O2 S3 C25 . . 104.0(3) ? O1 S3 C25 . . 103.2(2) ? O3 S3 C25 . . 102.2(2) ? C23 N3 C16 . . 108.7(4) ? C23 N3 C14 . . 125.8(4) ? C16 N3 C14 . . 124.7(4) ? N2 C3 N1 . . 108.6(4) ? N2 C3 S1 . . 124.8(3) ? N1 C3 S1 . . 126.6(4) ? N1 C4 C9 . . 107.9(4) ? N1 C4 C5 . . 132.3(5) ? C9 C4 C5 . . 119.7(5) ? O4 S4 O6 . . 113.6(3) ? O4 S4 O5 . . 115.7(3) ? O6 S4 O5 . . 116.3(3) ? O4 S4 C26 . . 102.7(5) ? O6 S4 C26 . . 102.4(3) ? O5 S4 C26 . . 103.4(4) ? C23 N4 C21 . . 108.8(4) ? C23 N4 C22 . . 126.0(5) ? C21 N4 C22 . . 125.1(4) ? C6 C5 C4 . . 116.6(5) ? C6 C5 H5 . . 121.7 ? C4 C5 H5 . . 121.7 ? C5 C6 C7 . . 123.2(5) ? C5 C6 H6 . . 118.4 ? C7 C6 H6 . . 118.4 ? C8 C7 C6 . . 121.1(6) ? C8 C7 H7 . . 119.5 ? C6 C7 H7 . . 119.5 ? C9 C8 C7 . . 115.8(5) ? C9 C8 H8 . . 122.1 ? C7 C8 H8 . . 122.1 ? C8 C9 C4 . . 123.6(4) ? C8 C9 N2 . . 131.0(4) ? C4 C9 N2 . . 105.3(4) ? F1 C25 F2 . . 106.9(5) ? F1 C25 F3 . . 106.3(4) ? F2 C25 F3 . . 106.7(4) ? F1 C25 S3 . . 112.2(3) ? F2 C25 S3 . . 112.5(4) ? F3 C25 S3 . . 111.7(4) ? C15 C10 C11 . . 121.8(4) ? C15 C10 N2 . . 119.8(4) ? C11 C10 N2 . . 118.5(4) ? C12 C13 C14 . . 119.0(4) ? C12 C13 H13 . . 120.5 ? C14 C13 H13 . . 120.5 ? C13 C12 C11 . . 120.8(4) ? C13 C12 H12 . . 119.6 ? C11 C12 H12 . . 119.6 ? C12 C11 C10 . . 118.7(4) ? C12 C11 H11 . . 120.6 ? C10 C11 H11 . . 120.6 ? C10 C15 C14 . . 117.7(4) ? C10 C15 H15 . . 121.1 ? C14 C15 H15 . . 121.1 ? C13 C14 C15 . . 122.0(4) ? C13 C14 N3 . . 120.0(4) ? C15 C14 N3 . . 117.9(4) ? C17 C16 C21 . . 123.1(4) ? C17 C16 N3 . . 130.9(4) ? C21 C16 N3 . . 106.0(4) ? C16 C17 C18 . . 115.5(5) ? C16 C17 H17 . . 122.2 ? C18 C17 H17 . . 122.2 ? C17 C18 C19 . . 121.3(6) ? C17 C18 H18 . . 119.4 ? C19 C18 H18 . . 119.4 ? C20 C19 C18 . . 122.7(5) ? C20 C19 H19 . . 118.6 ? C18 C19 H19 . . 118.6 ? F5 C26 F4 . . 109.5(8) ? F5 C26 F6 . . 107.5(9) ? F4 C26 F6 . . 104.6(9) ? F5 C26 S4 . . 114.0(8) ? F4 C26 S4 . . 111.1(6) ? F6 C26 S4 . . 109.6(6) ? C19 C20 C21 . . 115.9(5) ? C19 C20 H20 . . 122.0 ? C21 C20 H20 . . 122.0 ? N4 C21 C16 . . 107.9(4) ? N4 C21 C20 . . 130.7(5) ? C16 C21 C20 . . 121.4(5) ? N4 C22 H22A . . 109.5 ? N4 C22 H22B . . 109.5 ? H22A C22 H22B . . 109.5 ? N4 C22 H22C . . 109.5 ? H22A C22 H22C . . 109.5 ? H22B C22 H22C . . 109.5 ? N3 C23 N4 . . 108.6(4) ? N3 C23 S2 . . 126.5(3) ? N4 C23 S2 . . 124.7(4) ? S2 C24 H24A . . 109.5 ? S2 C24 H24B . . 109.5 ? H24A C24 H24B . . 109.5 ? S2 C24 H24C . . 109.5 ? H24A C24 H24C . . 109.5 ? H24B C24 H24C . . 109.5 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag S1 C3 . 1.726(5) ? S1 C1 . 1.806(5) ? N1 C3 . 1.350(6) ? N1 C4 . 1.375(7) ? N1 C2 . 1.455(6) ? O1 S3 . 1.424(4) ? F1 C25 . 1.319(6) ? C1 H1A . 0.9800 ? C1 H1AB . 0.9800 ? C1 H1AC . 0.9800 ? C2 H2A . 0.9800 ? C2 H2AB . 0.9800 ? C2 H2AC . 0.9800 ? S2 C23 . 1.737(5) ? S2 C24 . 1.790(7) ? N2 C3 . 1.349(6) ? N2 C9 . 1.407(6) ? N2 C10 . 1.437(5) ? O2 S3 . 1.422(4) ? F2 C25 . 1.332(5) ? S3 O3 . 1.434(4) ? S3 C25 . 1.818(6) ? N3 C23 . 1.342(6) ? N3 C16 . 1.400(6) ? N3 C14 . 1.435(5) ? F3 C25 . 1.339(6) ? C4 C9 . 1.397(6) ? C4 C5 . 1.403(7) ? S4 O4 . 1.414(4) ? S4 O6 . 1.415(4) ? S4 O5 . 1.422(4) ? S4 C26 . 1.797(9) ? N4 C23 . 1.347(6) ? N4 C21 . 1.369(7) ? N4 C22 . 1.471(6) ? F4 C26 . 1.344(9) ? C5 C6 . 1.353(9) ? C5 H5 . 0.9500 ? F5 C26 . 1.273(10) ? F6 C26 . 1.367(12) ? C6 C7 . 1.394(8) ? C6 H6 . 0.9500 ? C7 C8 . 1.387(7) ? C7 H7 . 0.9500 ? C8 C9 . 1.365(7) ? C8 H8 . 0.9500 ? C10 C15 . 1.375(6) ? C10 C11 . 1.388(6) ? C13 C12 . 1.374(7) ? C13 C14 . 1.379(6) ? C13 H13 . 0.9500 ? C12 C11 . 1.382(7) ? C12 H12 . 0.9500 ? C11 H11 . 0.9500 ? C15 C14 . 1.382(6) ? C15 H15 . 0.9500 ? C16 C17 . 1.373(7) ? C16 C21 . 1.377(6) ? C17 C18 . 1.390(7) ? C17 H17 . 0.9500 ? C18 C19 . 1.399(9) ? C18 H18 . 0.9500 ? C19 C20 . 1.357(9) ? C19 H19 . 0.9500 ? C20 C21 . 1.398(7) ? C20 H20 . 0.9500 ? C22 H22A . 0.9800 ? C22 H22B . 0.9800 ? C22 H22C . 0.9800 ? C24 H24A . 0.9800 ? C24 H24B . 0.9800 ? C24 H24C . 0.9800 ?