#------------------------------------------------------------------------------ #$Date: 2019-03-16 07:16:34 +0200 (Sat, 16 Mar 2019) $ #$Revision: 214148 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/07/1550753.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_1550753 loop_ _publ_author_name 'SubbiahPandi, A.' 'AaminaNaaz, Y.' 'Mahalakshmi, C. Maharaja' 'Anbalagan, K.' _publ_section_title ; Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate ; _journal_coeditor_code WM4097 _journal_issue 3 _journal_name_full IUCrData _journal_page_first x190327 _journal_paper_doi 10.1107/S2414314619003274 _journal_volume 4 _journal_year 2019 _chemical_formula_iupac '[Co Cl (C6 H6 F N) (C2 H8 N2)2] Cl2, H2 O' _chemical_formula_moiety 'C10 H22 Cl1 Co F N5 2+, 2(Cl -), H2 O1' _chemical_formula_sum 'C10 H24 Cl3 Co F N5 O' _chemical_formula_weight 414.62 _chemical_name_systematic ; Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 104.231(4) _cell_angle_beta 99.490(4) _cell_angle_gamma 100.705(4) _cell_formula_units_Z 2 _cell_length_a 8.1712(6) _cell_length_b 9.5435(8) _cell_length_c 11.9771(10) _cell_measurement_reflns_used 6556 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 25.000 _cell_measurement_theta_min 1.799 _cell_volume 867.57(12) _computing_cell_refinement ; CrysAlis RED (Oxford Diffraction, 2009) ; _computing_data_collection ; CrysAlis CCD (Oxford Diffraction, 2009) ; _computing_data_reduction ; CrysAlis RED (Oxford Diffraction, 2009) ; _computing_molecular_graphics ; PLATON (Spek, 2009) ; _computing_publication_material ; SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009) ; _computing_structure_refinement ; SHELXL2014 (Sheldrick, 2015) ; _computing_structure_solution ; SHELXS97 (Sheldrick, 2008) ; _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Oxford Diffraction Xcalibur diffractometer with Eos detector' _diffrn_measurement_method '\w and \f scan' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0224 _diffrn_reflns_av_unetI/netI 0.0142 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 15546 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.000 _diffrn_reflns_theta_min 1.799 _diffrn_source 'fine-focus sealed tube' _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.465 _exptl_absorpt_correction_T_max 0.8102 _exptl_absorpt_correction_T_min 0.7108 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlis PRO; Oxford Diffraction, 2009) ; _exptl_crystal_colour dark-red _exptl_crystal_density_diffrn 1.587 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 428 _exptl_crystal_size_max 0.250 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.150 _refine_diff_density_max 0.466 _refine_diff_density_min -0.234 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.119 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 243 _refine_ls_number_reflns 3053 _refine_ls_number_restraints 5 _refine_ls_restrained_S_all 1.130 _refine_ls_R_factor_all 0.0215 _refine_ls_R_factor_gt 0.0193 _refine_ls_shift/su_max 0.040 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0314P)^2^+0.2678P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0552 _refine_ls_wR_factor_ref 0.0578 _reflns_number_gt 2875 _reflns_number_total 3053 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file wm4097sup1.cif _cod_data_source_block I _cod_database_code 1550753 _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 0.711 _shelx_estimated_absorpt_t_max 0.810 _shelx_hkl_file ; 2 0 0 5617.86 165.25 3 0 0 55.31 2.29 4 0 0 52.58 2.45 -5 0 0 1427.85 39.53 5 0 0 1380.38 42.03 6 0 0 235.24 8.20 -6 0 0 224.91 7.14 7 0 0 1250.88 38.54 -7 0 0 1272.24 35.83 8 0 0 77.06 4.22 -8 0 0 71.26 3.02 -8 1 0 102.15 3.70 -7 1 0 336.04 10.11 -7 1 0 338.36 8.57 -6 1 0 899.71 21.83 -6 1 0 865.80 21.74 6 -1 0 841.47 27.12 -6 1 0 925.34 23.94 -5 1 0 1244.06 31.81 -5 1 0 1186.36 29.03 -5 1 0 1173.38 28.93 5 -1 0 1113.93 35.43 -4 1 0 805.10 19.89 4 -1 0 777.57 24.31 -4 1 0 792.06 19.81 -4 1 0 844.44 21.82 -3 1 0 1534.04 39.17 -3 1 0 1474.78 35.73 -3 1 0 1463.10 38.97 3 -1 0 1356.11 42.81 -3 1 0 1422.16 35.55 -2 1 0 209.57 5.31 -2 1 0 211.10 5.83 -2 1 0 200.13 6.12 -2 1 0 210.69 6.13 -2 1 0 214.13 5.91 -2 1 0 210.14 5.35 2 -1 0 203.77 5.89 2 -1 0 212.47 5.90 1 -1 0 595.69 16.50 -1 1 0 604.41 16.51 -1 1 0 589.23 17.14 -1 1 0 613.82 14.96 -1 1 0 608.15 16.42 1 -1 0 601.31 14.95 -1 1 0 603.40 15.02 1 -1 0 603.70 17.19 1 -1 0 615.70 17.13 1 -1 0 602.95 15.01 0 -1 0 3011.38 71.88 0 -1 0 3037.37 81.79 0 -1 0 2641.68 71.08 0 1 0 2568.26 81.06 0 -1 0 3179.16 79.19 -1 -1 0 667.35 18.28 -1 -1 0 653.25 18.90 1 1 0 679.02 16.64 -1 -1 0 684.98 19.89 1 1 0 664.63 18.89 -1 -1 0 655.92 19.82 1 1 0 661.18 18.51 -1 -1 0 670.34 16.65 -1 -1 0 657.89 18.21 -1 -1 0 677.53 16.57 1 1 0 672.47 18.65 -2 -1 0 3170.48 78.99 2 1 0 3167.21 92.11 -2 -1 0 3123.92 78.52 -2 -1 0 3101.59 88.27 -2 -1 0 3171.40 86.98 3 1 0 57.01 2.41 -3 -1 0 57.72 2.14 -4 -1 0 163.34 4.98 4 1 0 143.64 5.42 -5 -1 0 178.65 5.81 5 1 0 182.78 6.53 6 1 0 2.87 1.04 -6 -1 0 1.80 0.59 7 1 0 551.49 18.08 -7 -1 0 560.36 16.49 8 1 0 9.65 1.81 -8 -1 0 9.49 1.15 9 1 0 195.05 8.31 -11 2 0 124.50 4.57 -11 2 0 128.14 4.43 -10 2 0 11.82 1.20 -10 2 0 12.19 1.12 -9 2 0 55.08 2.36 -9 2 0 54.74 2.24 -9 2 0 54.29 1.91 -8 2 0 38.41 1.50 -8 2 0 39.04 1.69 -8 2 0 37.98 1.78 -7 2 0 1.35 0.46 -7 2 0 1.82 0.55 -7 2 0 1.24 0.42 -6 2 0 594.48 14.82 -6 2 0 591.97 16.87 -6 2 0 582.93 16.80 -6 2 0 580.29 14.86 -6 2 0 616.26 16.44 -5 2 0 204.81 5.52 -5 2 0 214.22 6.18 -5 2 0 205.66 6.23 -5 2 0 211.03 5.50 -5 2 0 209.58 6.18 -4 2 0 1000.51 26.40 -4 2 0 965.85 27.26 4 -2 0 971.96 23.97 -4 2 0 978.14 23.95 -4 2 0 957.90 27.30 -4 2 0 961.95 24.02 3 -2 0 1.01 0.22 3 -2 0 2.14 0.31 -3 2 0 1.99 0.40 -3 2 0 1.86 0.31 3 -2 0 1.93 0.37 -3 2 0 2.00 0.35 -3 2 0 3.01 0.32 -3 2 0 2.29 0.39 2 -2 0 871.42 23.44 -2 2 0 870.90 23.35 -2 2 0 866.21 24.27 2 -2 0 864.64 24.29 2 -2 0 892.07 24.21 -2 2 0 850.13 21.36 -2 2 0 843.23 24.33 2 -2 0 841.32 23.37 -2 2 0 887.15 21.32 -2 2 0 858.77 23.48 2 -2 0 870.63 21.33 1 -2 0 148.80 4.34 1 -2 0 148.07 4.29 1 -2 0 146.15 3.83 -1 2 0 142.26 4.34 -1 2 0 148.61 4.21 -1 2 0 142.99 4.41 -1 2 0 140.09 3.82 -1 2 0 136.20 4.25 1 -2 0 140.34 4.20 0 -2 0 27.61 1.14 0 -2 0 28.79 1.08 0 2 0 26.49 1.13 0 -2 0 26.23 0.95 0 -2 0 27.03 1.09 0 -2 0 32.23 1.20 0 2 0 26.61 1.08 0 2 0 25.16 1.11 0 2 0 25.64 0.95 0 2 0 27.30 1.10 -1 -2 0 759.88 20.06 1 2 0 723.17 20.06 -1 -2 0 721.09 20.84 -1 -2 0 734.60 20.80 -1 -2 0 735.65 18.31 -1 -2 0 760.59 20.07 1 2 0 742.73 20.78 -1 -2 0 746.78 18.26 -1 -2 0 729.45 21.02 1 2 0 737.35 18.27 1 2 0 751.38 20.82 -2 -2 0 21.03 0.93 -2 -2 0 21.78 0.98 -2 -2 0 19.70 1.19 2 2 0 20.93 1.26 2 2 0 19.80 0.85 -2 -2 0 18.98 0.86 2 2 0 18.74 0.77 2 2 0 18.84 0.83 -2 -2 0 18.12 0.86 -2 -2 0 17.96 0.94 2 2 0 19.05 0.83 -3 -2 0 567.50 15.29 -3 -2 0 569.39 13.92 -3 -2 0 562.85 13.97 -3 -2 0 546.55 16.29 -4 -2 0 30.08 1.04 4 2 0 28.82 1.86 -4 -2 0 30.40 1.59 -4 -2 0 31.10 1.17 -4 -2 0 29.96 1.05 -5 -2 0 171.68 5.70 -5 -2 0 172.09 4.43 -5 -2 0 175.61 4.89 5 2 0 160.65 6.25 -5 -2 0 169.89 4.45 6 2 0 380.78 13.09 -6 -2 0 402.49 9.87 -6 -2 0 397.27 12.06 7 2 0 0.69 1.13 -7 -2 0 2.09 0.78 8 2 0 72.37 4.27 -8 -2 0 75.25 3.42 9 2 0 35.00 3.30 10 2 0 44.80 4.03 -11 3 0 1.21 0.90 -10 3 0 59.74 2.69 -10 3 0 65.54 2.98 -10 3 0 62.72 2.27 -9 3 0 9.23 0.89 -9 3 0 9.39 1.04 -9 3 0 7.40 1.16 -8 3 0 24.32 1.66 -8 3 0 23.72 1.28 -8 3 0 24.05 1.48 -7 3 0 68.20 2.36 -7 3 0 68.20 2.64 -7 3 0 71.83 2.81 -6 3 0 121.28 4.09 -6 3 0 115.55 3.51 -6 3 0 118.05 3.50 -6 3 0 114.58 3.90 -6 3 0 119.58 4.04 -5 3 0 1271.12 36.42 -5 3 0 1277.84 36.28 5 -3 0 1318.54 31.74 5 -3 0 1327.97 34.85 -5 3 0 1246.86 31.97 5 -3 0 1278.31 34.89 -5 3 0 1354.60 35.21 -5 3 0 1285.77 31.94 -4 3 0 49.70 2.10 4 -3 0 50.87 1.94 -4 3 0 45.81 1.74 -4 3 0 46.33 1.92 4 -3 0 50.61 1.63 4 -3 0 45.37 1.76 -4 3 0 47.70 2.08 3 -3 0 2714.19 74.42 3 -3 0 2726.97 65.46 3 -3 0 2690.88 71.71 -3 3 0 2668.24 71.84 3 -3 0 2734.97 71.76 -3 3 0 2640.41 74.43 -3 3 0 2636.29 74.53 -3 3 0 2639.50 65.53 -2 3 0 0.37 0.33 -2 3 0 -0.17 0.41 2 -3 0 -0.13 0.31 2 -3 0 -0.65 0.40 2 -3 0 -0.42 0.30 -2 3 0 0.04 0.39 2 -3 0 -0.05 0.33 -2 3 0 -0.52 0.38 -1 3 0 422.59 12.23 1 -3 0 442.33 11.94 1 -3 0 415.30 10.77 1 -3 0 419.01 12.35 -1 3 0 428.21 11.81 1 -3 0 433.03 12.23 1 -3 0 417.84 11.82 -1 3 0 406.28 11.88 -1 3 0 424.83 10.78 -1 3 0 430.35 12.35 0 3 0 446.01 12.54 0 3 0 455.70 11.38 0 -3 0 432.88 12.92 0 -3 0 448.86 12.49 0 3 0 463.14 12.48 0 3 0 443.62 13.04 0 -3 0 462.56 12.57 0 -3 0 433.29 11.37 0 -3 0 444.18 13.02 0 3 0 456.87 12.99 1 3 0 24.41 1.17 1 3 0 25.42 1.14 1 3 0 25.99 1.18 -1 -3 0 24.63 1.07 -1 -3 0 25.04 1.20 1 3 0 27.24 1.36 -1 -3 0 25.31 1.29 -1 -3 0 27.39 1.21 1 3 0 24.07 1.03 -2 -3 0 1818.48 43.01 2 3 0 1693.19 47.12 2 3 0 1806.00 47.10 2 3 0 1813.89 49.42 2 3 0 1677.13 42.95 -2 -3 0 1728.69 49.41 -2 -3 0 1752.63 43.08 -2 -3 0 1760.30 49.00 -2 -3 0 1740.77 48.90 -2 -3 0 1782.21 47.16 -3 -3 0 992.59 27.74 -3 -3 0 970.07 28.27 -3 -3 0 1016.95 24.39 -3 -3 0 980.00 24.44 -3 -3 0 954.69 27.75 -3 -3 0 1019.31 26.78 -4 -3 0 828.59 20.50 -4 -3 0 817.70 23.22 -4 -3 0 848.49 22.45 -4 -3 0 819.39 23.26 4 3 0 809.55 25.26 -4 -3 0 831.72 23.92 -5 -3 0 179.24 4.86 -5 -3 0 186.18 6.23 5 3 0 179.94 6.79 -5 -3 0 178.61 4.88 -5 -3 0 180.33 5.45 -5 -3 0 187.40 5.40 -5 -3 0 179.46 5.49 -6 -3 0 8.12 0.64 -6 -3 0 9.05 1.17 6 3 0 7.26 1.42 -7 -3 0 2.98 0.98 -7 -3 0 4.10 0.53 7 3 0 3.95 1.40 8 3 0 18.39 2.36 9 3 0 50.79 3.90 10 3 0 71.43 4.96 11 3 0 28.50 3.60 -11 4 0 81.20 2.84 -11 4 0 77.98 3.52 -10 4 0 114.52 4.37 -10 4 0 114.64 3.71 -9 4 0 96.37 3.26 -9 4 0 101.96 4.10 -9 4 0 90.71 3.73 -8 4 0 126.88 4.06 -8 4 0 133.91 4.70 -8 4 0 134.39 4.95 -7 4 0 169.89 5.72 -7 4 0 177.95 5.99 -7 4 0 173.68 5.06 -6 4 0 68.95 2.46 6 -4 0 66.01 2.22 -6 4 0 69.37 2.97 -6 4 0 66.44 2.85 6 -4 0 70.86 2.34 -6 4 0 67.16 2.73 5 -4 0 953.26 26.29 5 -4 0 991.09 24.00 -5 4 0 938.35 24.21 -5 4 0 976.49 26.71 -5 4 0 973.24 27.71 -5 4 0 955.63 27.48 5 -4 0 988.88 26.41 -4 4 0 102.53 3.64 -4 4 0 101.42 3.75 4 -4 0 97.42 3.35 -4 4 0 98.71 3.56 -4 4 0 98.96 3.18 4 -4 0 103.67 3.60 4 -4 0 104.00 3.09 3 -4 0 2376.85 65.35 3 -4 0 2481.68 63.09 -3 4 0 2390.28 65.49 3 -4 0 2336.89 57.42 -3 4 0 2301.39 63.07 -3 4 0 2294.31 65.27 -3 4 0 2278.74 57.47 3 -4 0 2293.62 62.89 2 -4 0 346.38 9.33 -2 4 0 363.81 9.39 -2 4 0 355.59 10.41 -2 4 0 362.50 10.64 -2 4 0 366.52 10.80 2 -4 0 360.42 10.42 2 -4 0 355.20 10.26 -1 4 0 2310.30 61.34 -1 4 0 2232.44 61.46 1 -4 0 2306.70 56.07 -1 4 0 2367.17 63.81 1 -4 0 2302.98 63.66 1 -4 0 2224.65 63.80 1 -4 0 2271.70 61.39 -1 4 0 2277.76 56.05 -1 4 0 2290.01 63.67 0 4 0 2.33 0.43 0 4 0 2.77 0.54 0 -4 0 1.69 0.40 0 4 0 5.67 0.66 0 -4 0 2.82 0.51 0 -4 0 3.23 0.52 0 4 0 2.73 0.52 0 -4 0 2.81 0.62 -1 -4 0 98.73 3.06 -1 -4 0 97.12 3.56 -1 -4 0 106.02 3.53 1 4 0 103.72 3.36 1 4 0 96.94 3.36 1 4 0 106.30 3.40 1 4 0 102.31 3.02 -1 -4 0 102.30 3.40 2 4 0 304.01 9.01 -2 -4 0 323.75 9.49 -2 -4 0 308.06 8.34 -2 -4 0 311.70 9.55 2 4 0 329.77 8.24 2 4 0 333.38 9.90 -2 -4 0 323.48 9.19 -3 -4 0 62.43 2.52 -3 -4 0 64.48 2.41 -3 -4 0 64.14 2.39 3 4 0 61.42 1.92 3 4 0 64.53 2.86 3 4 0 60.24 2.08 3 4 0 60.93 2.08 -3 -4 0 64.47 2.18 3 4 0 63.72 2.11 -4 -4 0 2717.32 66.07 -4 -4 0 2620.37 75.07 -4 -4 0 2760.44 65.97 -4 -4 0 2676.27 74.99 -4 -4 0 2725.10 72.28 -5 -4 0 2.32 0.55 -5 -4 0 1.76 0.71 -5 -4 0 2.83 0.63 5 4 0 2.27 1.03 6 4 0 519.55 17.08 -6 -4 0 519.76 13.22 -6 -4 0 517.76 15.09 -6 -4 0 517.23 15.00 -7 -4 0 2.57 0.66 7 4 0 0.80 1.26 -7 -4 0 2.25 0.78 -7 -4 0 2.53 0.54 -8 -4 0 20.99 1.38 -8 -4 0 22.43 1.17 8 4 0 21.43 2.60 -8 -4 0 21.76 1.48 9 4 0 70.33 4.68 -9 -4 0 61.28 2.69 -9 -4 0 61.26 2.58 10 4 0 19.89 3.05 11 4 0 105.89 6.65 -11 5 0 42.06 2.70 -11 5 0 48.33 2.20 -10 5 0 16.84 1.36 -10 5 0 16.51 1.62 -9 5 0 295.05 8.23 -9 5 0 291.31 9.45 -8 5 0 71.31 3.24 -8 5 0 78.26 2.90 7 -5 0 910.73 25.11 -7 5 0 912.26 23.51 -7 5 0 920.21 26.73 -7 5 0 970.79 27.08 6 -5 0 4.81 0.66 -6 5 0 3.50 0.72 -6 5 0 3.36 0.94 -6 5 0 4.63 0.89 -6 5 0 4.83 1.01 6 -5 0 4.64 0.80 5 -5 0 489.40 12.14 5 -5 0 461.24 13.26 -5 5 0 465.63 12.31 -5 5 0 466.59 13.96 -5 5 0 493.37 14.27 -5 5 0 492.63 13.77 5 -5 0 415.16 13.37 4 -5 0 4.99 0.82 4 -5 0 5.71 0.74 -4 5 0 4.35 0.71 4 -5 0 4.56 0.89 4 -5 0 4.39 0.66 -4 5 0 6.00 0.90 -4 5 0 7.00 0.98 -4 5 0 5.25 0.90 -3 5 0 910.82 25.73 -3 5 0 958.11 26.72 3 -5 0 974.72 25.78 3 -5 0 942.54 26.61 -3 5 0 882.13 26.43 -3 5 0 919.97 23.34 3 -5 0 938.04 23.28 3 -5 0 890.10 25.48 -2 5 0 813.21 20.58 -2 5 0 784.86 22.67 -2 5 0 815.88 23.36 2 -5 0 793.44 20.55 -2 5 0 856.19 23.60 2 -5 0 815.64 22.56 2 -5 0 826.99 23.57 1 -5 0 777.56 22.79 1 -5 0 791.83 21.86 1 -5 0 773.39 19.91 -1 5 0 789.27 19.92 -1 5 0 783.03 21.95 -1 5 0 800.66 22.74 -1 5 0 757.85 22.54 1 -5 0 835.90 22.69 0 5 0 949.26 27.06 0 -5 0 1005.30 27.09 0 5 0 969.83 28.22 0 -5 0 979.32 28.18 0 -5 0 937.83 24.65 0 5 0 1006.45 24.65 0 -5 0 1001.43 28.07 0 5 0 989.76 27.94 0 5 0 1028.89 27.03 -1 -5 0 644.63 18.16 1 5 0 634.68 18.41 1 5 0 598.41 17.42 -1 -5 0 605.95 18.22 1 5 0 634.93 17.95 1 5 0 645.98 17.44 -1 -5 0 611.56 15.94 1 5 0 631.24 15.86 -1 -5 0 618.40 17.50 2 5 0 258.02 7.84 -2 -5 0 272.65 8.07 2 5 0 270.42 7.15 -2 -5 0 278.56 8.33 2 5 0 276.11 8.70 -2 -5 0 262.85 8.40 -2 -5 0 259.27 7.28 3 5 0 0.64 0.42 3 5 0 1.31 0.37 -3 -5 0 1.55 0.58 -3 -5 0 1.44 0.59 3 5 0 1.89 0.49 -3 -5 0 1.25 0.52 -3 -5 0 0.73 0.68 -4 -5 0 404.51 12.36 -4 -5 0 416.47 11.88 -4 -5 0 422.72 12.30 -4 -5 0 403.74 10.79 5 5 0 103.71 4.86 -5 -5 0 107.13 3.86 -5 -5 0 107.16 3.40 -5 -5 0 106.80 3.98 6 5 0 312.52 11.13 -6 -5 0 319.20 9.48 -6 -5 0 289.93 9.51 -6 -5 0 308.53 8.29 -7 -5 0 23.74 1.63 -7 -5 0 24.31 1.38 7 5 0 25.42 2.64 -7 -5 0 23.70 1.74 8 5 0 29.09 2.96 -8 -5 0 24.05 1.83 -8 -5 0 24.89 1.41 9 5 0 71.01 4.86 -9 -5 0 64.63 3.08 10 5 0 3.45 2.24 11 5 0 43.70 4.39 -12 6 0 39.01 2.12 -11 6 0 7.64 1.47 -11 6 0 6.39 1.12 -10 6 0 1.79 0.90 -10 6 0 1.98 1.06 -9 6 0 82.08 3.84 -9 6 0 84.31 3.30 -8 6 0 1.53 1.04 -8 6 0 1.79 0.92 -7 6 0 315.62 8.92 7 -6 0 313.41 9.17 -7 6 0 316.68 10.12 -6 6 0 8.42 1.34 6 -6 0 9.84 1.05 -6 6 0 9.82 1.11 -6 6 0 9.18 1.26 5 -6 0 202.09 6.62 5 -6 0 215.66 6.95 -5 6 0 204.44 6.99 -5 6 0 215.20 7.11 5 -6 0 209.38 6.05 -5 6 0 207.67 6.22 -5 6 0 218.17 7.37 4 -6 0 7.61 1.15 -4 6 0 7.51 1.12 -4 6 0 6.33 1.00 4 -6 0 6.04 0.88 4 -6 0 6.23 1.03 -4 6 0 6.72 1.09 4 -6 0 6.90 0.87 -4 6 0 4.22 0.82 -3 6 0 37.00 2.16 -3 6 0 39.32 2.28 3 -6 0 31.11 2.14 3 -6 0 40.74 2.05 -3 6 0 37.67 1.83 -3 6 0 35.35 2.05 3 -6 0 42.85 1.89 -2 6 0 349.49 10.89 2 -6 0 345.91 10.58 -2 6 0 356.84 10.76 -2 6 0 358.22 9.67 2 -6 0 364.22 9.68 2 -6 0 364.62 11.19 1 -6 0 2.15 0.65 -1 6 0 3.43 0.82 1 -6 0 2.87 0.74 -1 6 0 1.23 0.61 -1 6 0 3.12 0.77 1 -6 0 2.33 0.91 -1 6 0 1.76 0.76 1 -6 0 2.13 0.70 0 6 0 1038.84 27.84 0 6 0 1012.53 25.37 0 6 0 1034.61 29.15 0 6 0 1006.79 28.75 0 -6 0 998.95 29.09 0 6 0 978.79 27.90 0 -6 0 952.05 25.40 0 -6 0 1052.45 28.96 0 -6 0 1007.96 27.91 -1 -6 0 2.88 0.72 1 6 0 1.40 0.60 -1 -6 0 0.12 0.74 -1 -6 0 0.78 0.56 -1 -6 0 1.00 0.55 1 6 0 0.12 0.52 1 6 0 1.76 0.68 -2 -6 0 218.96 6.43 2 6 0 218.86 6.88 2 6 0 224.96 6.25 -2 -6 0 217.21 7.45 -2 -6 0 235.31 7.38 -2 -6 0 224.16 7.11 2 6 0 233.20 6.94 -3 -6 0 4.40 0.86 -3 -6 0 4.59 1.01 -3 -6 0 6.54 0.95 3 6 0 5.18 0.73 -3 -6 0 5.70 0.81 3 6 0 5.35 0.74 -4 -6 0 1.16 0.88 -4 -6 0 -0.07 0.62 -4 -6 0 0.53 0.57 -5 -6 0 43.84 2.55 -5 -6 0 49.26 2.42 -5 -6 0 44.34 2.02 -6 -6 0 10.47 1.43 -6 -6 0 8.16 0.97 6 6 0 9.35 1.85 -7 -6 0 54.40 2.93 -7 -6 0 54.39 2.32 7 6 0 57.71 4.00 -8 -6 0 8.38 1.43 -8 -6 0 5.82 0.96 8 6 0 13.71 2.44 -9 -6 0 14.98 1.71 9 6 0 15.45 2.87 10 6 0 13.53 2.89 -12 7 0 3.45 1.08 -11 7 0 4.20 1.12 -11 7 0 7.23 1.56 -10 7 0 0.33 1.18 -10 7 0 0.44 0.89 -9 7 0 39.10 2.34 -9 7 0 43.58 2.81 -8 7 0 293.46 9.70 8 -7 0 290.07 8.48 -8 7 0 281.14 8.43 -7 7 0 14.05 1.42 -7 7 0 14.51 1.70 7 -7 0 11.64 1.26 -6 7 0 179.64 5.65 6 -7 0 167.45 5.87 -6 7 0 178.44 6.38 -6 7 0 179.01 6.45 -5 7 0 56.99 3.05 -5 7 0 51.37 2.81 5 -7 0 53.53 2.45 5 -7 0 51.50 2.63 -5 7 0 55.14 2.56 4 -7 0 66.05 2.70 4 -7 0 64.89 2.95 -4 7 0 70.62 3.31 -4 7 0 63.81 2.75 -4 7 0 62.09 3.04 -3 7 0 3.22 0.91 3 -7 0 1.82 0.70 3 -7 0 3.35 0.87 -3 7 0 2.86 0.89 3 -7 0 2.85 0.75 -3 7 0 2.56 0.79 2 -7 0 291.71 9.53 -2 7 0 291.22 9.26 2 -7 0 286.58 8.98 -2 7 0 290.48 8.19 2 -7 0 289.88 8.19 -2 7 0 275.37 9.09 1 -7 0 654.87 19.70 -1 7 0 686.22 17.14 -1 7 0 647.73 18.89 1 -7 0 645.79 17.12 1 -7 0 653.83 18.82 0 -7 0 28.89 2.05 0 -7 0 28.31 2.03 0 7 0 27.46 2.01 0 -7 0 28.20 1.85 0 7 0 25.21 1.73 0 -7 0 25.98 2.24 0 7 0 28.70 1.98 1 7 0 404.53 10.94 -1 -7 0 415.54 12.24 -1 -7 0 406.32 11.11 -1 -7 0 393.66 12.78 1 7 0 412.70 12.06 1 7 0 398.29 12.08 -1 -7 0 428.13 12.68 -2 -7 0 41.82 2.53 2 7 0 44.21 2.30 -2 -7 0 45.56 2.79 2 7 0 46.16 2.14 -2 -7 0 46.28 2.27 3 7 0 123.87 4.21 -3 -7 0 122.75 4.16 -3 -7 0 121.35 4.95 -4 -7 0 0.86 1.03 -4 -7 0 2.38 0.79 4 7 0 0.39 0.46 -5 -7 0 8.81 1.46 -5 -7 0 8.19 1.06 -6 -7 0 51.34 2.37 6 7 0 49.17 3.73 -6 -7 0 48.75 2.95 -7 -7 0 38.61 2.70 -7 -7 0 37.08 2.05 7 7 0 36.45 3.49 8 7 0 62.51 4.49 -8 -7 0 50.38 3.17 -8 -7 0 57.02 2.54 9 7 0 5.35 2.35 10 7 0 8.40 2.68 -12 8 0 23.78 1.95 -11 8 0 25.10 2.52 -11 8 0 25.74 2.14 -10 8 0 23.36 2.34 -10 8 0 23.37 1.95 -9 8 0 1.18 1.26 -9 8 0 -0.24 0.98 -8 8 0 72.90 3.74 8 -8 0 69.66 2.96 -8 8 0 66.60 3.18 -7 8 0 59.89 3.31 7 -8 0 58.30 2.81 -7 8 0 56.12 2.84 -6 8 0 121.91 5.23 -6 8 0 128.97 4.60 6 -8 0 122.11 4.73 -6 8 0 125.04 5.15 -5 8 0 94.73 4.19 5 -8 0 85.85 3.88 -5 8 0 96.80 4.30 -5 8 0 95.92 3.73 5 -8 0 96.14 3.64 4 -8 0 136.35 4.63 4 -8 0 125.06 4.98 -4 8 0 130.99 5.19 -4 8 0 139.62 5.39 -4 8 0 133.58 4.67 3 -8 0 92.20 3.92 3 -8 0 88.58 3.48 -3 8 0 86.94 4.00 -3 8 0 92.26 4.00 -3 8 0 86.11 3.48 2 -8 0 171.52 5.65 2 -8 0 177.48 6.70 -2 8 0 184.48 6.43 -2 8 0 176.33 5.67 2 -8 0 181.32 6.31 -2 8 0 172.71 6.36 1 -8 0 85.71 4.08 -1 8 0 83.53 3.81 1 -8 0 92.43 3.85 -1 8 0 84.76 3.33 1 -8 0 85.72 3.42 0 -8 0 19.67 2.00 0 8 0 21.84 1.86 0 -8 0 19.24 1.55 0 -8 0 20.15 1.74 0 8 0 18.95 1.51 -1 -8 0 106.09 4.35 -1 -8 0 109.00 4.75 1 8 0 109.13 3.82 -1 -8 0 106.86 3.94 1 8 0 104.25 4.19 2 8 0 60.98 2.88 -2 -8 0 59.91 2.75 -2 -8 0 62.85 3.17 -2 -8 0 62.22 3.53 -3 -8 0 104.19 4.79 3 8 0 107.03 3.97 -3 -8 0 113.10 4.03 -4 -8 0 21.24 2.22 4 8 0 26.53 1.45 -4 -8 0 25.20 1.80 -5 -8 0 13.43 1.91 -5 -8 0 15.09 1.43 -6 -8 0 10.68 1.76 -6 -8 0 9.04 1.24 6 8 0 11.21 2.27 -7 -8 0 -0.11 1.25 7 8 0 0.43 1.73 -7 -8 0 -0.71 0.80 -8 -8 0 38.63 2.26 8 8 0 36.97 3.79 9 8 0 2.25 2.19 -12 9 0 57.52 3.13 -11 9 0 -0.86 1.14 -11 9 0 0.62 1.56 -10 9 0 109.47 4.46 -10 9 0 104.35 5.22 -9 9 0 -0.29 1.38 -9 9 0 -1.58 1.05 9 -9 0 -2.43 0.76 8 -9 0 90.73 3.74 -8 9 0 83.29 3.79 -8 9 0 82.36 4.38 7 -9 0 26.00 2.06 -7 9 0 24.99 2.05 -7 9 0 24.56 2.37 6 -9 0 27.70 2.21 -6 9 0 29.11 2.63 -6 9 0 28.94 2.59 -6 9 0 28.99 2.29 -5 9 0 181.06 6.11 5 -9 0 184.53 6.04 -5 9 0 179.36 6.93 5 -9 0 179.22 6.61 -5 9 0 188.98 7.05 4 -9 0 31.75 2.51 -4 9 0 39.61 2.86 -4 9 0 32.42 2.67 4 -9 0 35.92 2.39 -4 9 0 32.88 2.42 3 -9 0 601.47 16.02 3 -9 0 591.76 17.62 -3 9 0 605.13 17.87 -3 9 0 572.21 15.96 2 -9 0 18.68 1.70 2 -9 0 20.06 1.89 -2 9 0 24.19 1.95 -2 9 0 22.74 2.06 1 -9 0 86.32 3.98 -1 9 0 91.00 4.13 1 -9 0 89.51 4.45 -1 9 0 89.37 3.62 1 -9 0 86.12 3.62 0 9 0 0.40 0.84 0 -9 0 0.97 0.79 0 9 0 1.30 0.90 0 -9 0 0.55 0.86 0 -9 0 1.24 1.21 -1 -9 0 19.83 1.88 1 9 0 20.32 1.67 1 9 0 23.60 2.00 -1 -9 0 19.81 2.25 -1 -9 0 24.10 1.89 -2 -9 0 95.42 4.70 -2 -9 0 94.76 3.81 2 9 0 93.68 3.94 -3 -9 0 31.53 2.93 3 9 0 32.30 2.09 -3 -9 0 34.08 2.22 4 9 0 154.27 4.93 -4 -9 0 158.67 6.57 -4 -9 0 151.21 5.35 -5 -9 0 8.49 1.35 -5 -9 0 7.26 1.88 -6 -9 0 1.35 0.96 -6 -9 0 0.83 1.50 6 9 0 0.76 1.81 -7 -9 0 -0.69 0.91 -7 -9 0 -0.85 1.43 7 9 0 -0.85 1.77 8 9 0 4.89 2.27 -8 -9 0 5.83 1.22 -11 10 0 4.47 1.52 -10 10 0 41.54 2.97 -9 10 0 10.66 1.77 9 -10 0 10.94 1.46 -8 10 0 80.06 3.89 8 -10 0 83.51 3.90 -7 10 0 13.65 1.78 7 -10 0 14.23 1.71 -6 10 0 13.86 2.00 6 -10 0 11.98 1.66 -6 10 0 14.72 1.75 5 -10 0 88.83 3.86 -5 10 0 88.24 3.93 -5 10 0 80.04 4.38 5 -10 0 82.42 4.10 -4 10 0 26.81 2.21 4 -10 0 31.32 2.57 -4 10 0 28.80 2.59 4 -10 0 30.03 2.32 -3 10 0 102.50 4.27 3 -10 0 96.19 4.23 3 -10 0 103.22 4.71 -3 10 0 99.60 4.82 -2 10 0 2.53 1.18 2 -10 0 1.02 1.16 -2 10 0 0.32 1.22 2 -10 0 -0.09 0.99 -1 10 0 53.88 3.27 1 -10 0 51.69 3.22 1 -10 0 51.49 2.84 -1 10 0 55.60 2.91 0 10 0 4.32 1.23 0 -10 0 6.59 1.41 0 -10 0 4.30 1.16 0 10 0 4.34 1.21 -1 -10 0 8.21 1.35 -1 -10 0 11.14 2.05 1 10 0 10.80 1.53 -2 -10 0 30.45 2.89 -2 -10 0 27.49 2.17 2 10 0 26.12 2.13 -3 -10 0 1.30 1.12 3 10 0 0.66 0.95 -3 -10 0 -0.82 1.54 4 10 0 109.33 3.81 -4 -10 0 109.75 5.58 -4 -10 0 100.59 4.33 -5 -10 0 -0.20 0.95 -5 -10 0 -1.14 1.46 -6 -10 0 34.89 2.56 6 10 0 45.50 4.08 -6 -10 0 34.78 3.35 -7 -10 0 -2.36 0.93 7 10 0 -1.77 1.79 8 10 0 1.42 2.15 -10 11 0 6.02 1.69 9 -11 0 13.35 1.70 -9 11 0 16.10 2.11 -8 11 0 -0.05 1.35 8 -11 0 1.55 1.26 7 -11 0 11.04 1.77 -7 11 0 11.07 1.84 -6 11 0 14.76 1.98 6 -11 0 17.35 2.06 -5 11 0 4.91 1.65 5 -11 0 2.58 1.26 -5 11 0 3.89 1.40 5 -11 0 4.22 1.40 -4 11 0 13.08 2.05 -4 11 0 13.65 1.83 4 -11 0 15.06 1.95 4 -11 0 11.54 1.63 3 -11 0 3.02 1.32 -3 11 0 3.16 1.43 3 -11 0 1.65 1.37 -3 11 0 -0.08 1.38 -2 11 0 37.41 2.98 2 -11 0 38.49 2.68 2 -11 0 37.31 2.92 -2 11 0 38.10 2.66 1 -11 0 23.45 2.16 -1 11 0 15.37 2.06 -1 11 0 23.45 2.09 1 -11 0 23.40 2.35 0 -11 0 10.10 1.58 0 11 0 8.29 1.58 0 -11 0 7.43 1.61 1 11 0 26.75 2.36 -1 -11 0 30.66 2.42 2 11 0 15.56 1.80 -2 -11 0 18.73 1.93 3 11 0 13.98 1.52 -3 -11 0 16.08 1.82 -3 -11 0 14.69 2.47 -4 -11 0 1.97 1.86 -4 -11 0 -0.06 1.05 -5 -11 0 10.79 2.30 -5 -11 0 8.12 1.63 6 11 0 1.24 2.04 -6 -11 0 -1.01 1.05 7 11 0 -0.73 2.20 -9 12 0 9.56 2.07 -8 12 0 52.88 3.62 -7 12 0 14.98 2.21 7 -12 0 10.79 1.90 6 -12 0 5.92 1.73 -6 12 0 4.55 1.73 -5 12 0 3.96 1.83 5 -12 0 7.82 1.79 -5 12 0 4.80 1.70 -4 12 0 3.05 1.53 4 -12 0 3.80 1.53 4 -12 0 6.73 1.56 -4 12 0 4.43 1.83 3 -12 0 22.83 2.23 3 -12 0 17.06 2.27 -3 12 0 16.40 2.28 -3 12 0 18.28 2.13 -2 12 0 8.04 1.69 -2 12 0 7.52 1.82 2 -12 0 10.29 1.73 2 -12 0 10.20 1.98 1 -12 0 36.93 3.15 -1 12 0 33.33 2.91 1 -12 0 28.19 2.46 0 -12 0 11.02 1.81 0 12 0 12.70 1.94 -1 -12 0 23.62 2.29 1 12 0 22.59 2.35 2 12 0 -0.05 1.12 -2 -12 0 -0.59 1.18 3 12 0 0.52 0.99 -3 -12 0 -0.57 1.16 -4 -12 0 0.86 1.21 -5 -12 0 1.63 1.24 6 12 0 5.18 2.65 -8 13 0 39.92 3.34 -7 13 0 -1.72 1.64 -6 13 0 30.29 2.92 -5 13 0 1.72 1.83 5 -13 0 1.30 1.55 -5 13 0 0.46 1.61 -4 13 0 1.39 1.60 4 -13 0 2.28 1.58 4 -13 0 1.44 1.42 -4 13 0 4.37 1.88 3 -13 0 1.39 1.38 3 -13 0 1.24 1.55 -3 13 0 0.48 1.48 -3 13 0 0.18 1.50 2 -13 0 2.93 1.63 -2 13 0 1.25 1.52 2 -13 0 2.13 1.50 1 -13 0 31.29 2.69 -1 13 0 24.55 2.62 0 -13 0 -0.90 1.45 0 13 0 -2.10 1.27 -1 -13 0 50.46 3.45 -2 -13 0 1.89 1.55 -3 -13 0 1.39 1.38 -7 14 0 4.44 2.02 -6 14 0 5.02 2.08 -5 14 0 12.84 2.43 4 -14 0 18.79 2.50 -4 14 0 13.78 2.39 3 -14 0 5.46 1.86 3 -14 0 8.08 2.04 2 -14 0 0.51 1.51 1 -14 0 14.68 2.27 0 -14 0 2.48 1.69 -1 -14 0 15.70 2.37 -5 15 0 4.75 2.17 3 -15 0 5.78 2.03 2 -15 0 2.12 1.75 1 -15 1 2.05 1.69 2 -15 1 6.03 2.00 3 -15 1 7.22 2.08 -5 15 -1 13.33 2.55 -1 -14 1 50.38 3.61 0 -14 1 16.49 2.35 1 -14 1 3.68 1.75 2 -14 1 7.08 2.06 2 -14 1 7.26 1.88 3 -14 1 1.39 1.66 3 -14 1 1.68 1.60 -4 14 -1 14.92 2.58 -4 14 -1 15.82 2.42 4 -14 1 18.28 2.40 -5 14 -1 -0.69 1.69 -5 14 -1 0.87 1.78 -6 14 -1 35.08 3.23 -7 14 -1 1.58 1.81 -3 -13 1 -1.31 1.18 -2 -13 1 42.39 3.15 1 13 -1 2.68 1.48 -1 -13 1 4.00 1.59 0 -13 1 120.79 5.33 0 13 -1 119.32 5.57 1 -13 1 -0.79 1.17 -1 13 -1 0.56 1.30 -2 13 -1 13.39 2.21 2 -13 1 10.74 2.11 2 -13 1 10.78 1.88 -3 13 -1 5.93 1.67 3 -13 1 6.42 1.88 3 -13 1 7.46 1.74 -3 13 -1 5.27 1.87 -4 13 -1 1.64 1.73 -4 13 -1 0.97 1.56 4 -13 1 1.98 1.59 4 -13 1 -0.69 1.27 -5 13 -1 66.24 4.66 -5 13 -1 64.41 4.03 5 -13 1 62.13 4.16 6 -13 1 2.34 1.60 -6 13 -1 4.06 1.96 -7 13 -1 45.50 3.51 -8 13 -1 13.49 2.38 6 12 -1 16.05 3.00 -5 -12 1 10.26 1.68 -4 -12 1 17.26 2.00 -3 -12 1 2.62 1.38 3 12 -1 2.45 1.11 2 12 -1 32.33 2.58 -2 -12 1 32.16 2.62 1 12 -1 28.24 2.52 -1 -12 1 30.54 2.50 0 -12 1 57.46 3.32 0 12 -1 51.35 3.37 1 -12 1 24.64 2.56 1 -12 1 21.50 2.17 -1 12 -1 24.97 2.47 2 -12 1 75.61 4.32 2 -12 1 74.27 3.81 -2 12 -1 82.35 3.95 -2 12 -1 74.71 4.36 3 -12 1 14.55 1.88 3 -12 1 10.42 1.87 -3 12 -1 13.75 2.22 -3 12 -1 13.79 1.93 4 -12 1 10.32 1.88 4 -12 1 12.40 1.76 -4 12 -1 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0.46 0.43 -1 -4 4 0.54 0.53 0 -4 4 1958.50 55.42 0 -4 4 1925.07 53.21 0 4 -4 1978.26 48.62 0 -4 4 2063.24 55.26 0 4 -4 2007.81 53.20 0 4 -4 1960.32 53.38 0 -4 4 1972.12 48.61 0 -4 4 1952.69 55.39 1 -4 4 82.98 2.98 -1 4 -4 87.13 3.22 1 -4 4 83.73 2.80 -1 4 -4 88.37 3.33 -1 4 -4 85.27 2.83 1 -4 4 85.68 3.31 1 -4 4 92.02 3.24 1 -4 4 84.82 3.11 -1 4 -4 86.78 3.25 -2 4 -4 2735.99 75.95 2 -4 4 2418.72 75.80 2 -4 4 2724.44 66.81 -2 4 -4 2798.52 66.87 2 -4 4 2683.94 73.11 -2 4 -4 2789.41 73.34 2 -4 4 2869.74 73.27 2 -4 4 2546.99 75.98 -2 4 -4 2866.91 76.07 2 -4 4 2829.43 66.80 -3 4 -4 45.11 2.19 3 -4 4 45.62 2.11 3 -4 4 43.94 1.86 -3 4 -4 44.74 1.89 3 -4 4 44.97 2.00 3 -4 4 49.45 2.40 -3 4 -4 44.48 2.20 -3 4 -4 41.93 2.11 -4 4 -4 33.39 1.87 -4 4 -4 32.38 1.90 -4 4 -4 28.57 1.74 4 -4 4 31.60 1.51 -4 4 -4 26.74 1.52 4 -4 4 28.23 1.78 4 -4 4 27.82 1.58 -5 4 -4 3.34 0.70 -5 4 -4 3.97 0.88 5 -4 4 2.71 0.59 -5 4 -4 3.37 0.81 5 -4 4 2.88 0.68 5 -4 4 4.10 0.60 -5 4 -4 2.82 0.78 -6 4 -4 1.15 0.71 -6 4 -4 0.73 0.71 6 -4 4 0.94 0.42 6 -4 4 0.91 0.50 -6 4 -4 0.71 0.60 -7 4 -4 293.87 9.18 -7 4 -4 269.90 8.99 -7 4 -4 282.59 7.91 -8 4 -4 4.59 1.10 -8 4 -4 4.84 0.89 -9 4 -4 291.01 8.30 -9 4 -4 300.65 9.66 -10 4 -4 -0.91 0.88 -10 4 -4 -1.03 0.71 -11 4 -4 17.10 1.39 -11 4 -4 20.76 1.96 12 3 -4 5.21 2.39 11 3 -4 64.85 4.87 10 3 -4 1.15 1.63 -9 -3 4 140.92 5.67 9 3 -4 143.16 6.74 8 3 -4 0.56 1.26 -8 -3 4 0.64 0.82 -7 -3 4 97.75 2.87 7 3 -4 104.97 4.92 -7 -3 4 96.16 4.15 -6 -3 4 38.38 1.57 -6 -3 4 39.95 1.71 6 3 -4 40.65 2.73 -6 -3 4 38.69 1.45 -6 -3 4 34.89 2.17 -5 -3 4 33.26 1.56 -5 -3 4 33.08 1.48 5 3 -4 31.39 2.25 -5 -3 4 31.06 1.39 -5 -3 4 31.42 1.29 -5 -3 4 32.90 1.36 -4 -3 4 764.47 18.71 -4 -3 4 725.37 21.31 -4 -3 4 730.49 21.16 -4 -3 4 782.13 20.49 -4 -3 4 745.16 18.68 3 3 -4 115.42 3.63 -3 -3 4 116.98 3.41 -3 -3 4 118.81 4.00 -3 -3 4 116.76 3.84 -3 -3 4 124.68 3.49 -3 -3 4 122.26 3.78 3 3 -4 121.29 3.59 -2 -3 4 524.62 15.42 2 3 -4 527.07 14.95 2 3 -4 546.94 15.29 -2 -3 4 551.84 14.94 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11 -14 7.52 1.91 -3 11 -14 23.54 2.63 -3 11 -14 20.16 2.83 -4 11 -14 15.64 2.39 -5 11 -14 5.47 1.84 7 10 -14 10.56 2.62 -6 -10 14 -1.38 1.04 -6 -10 14 -0.18 1.15 -5 -10 14 26.93 2.44 -4 -10 14 0.54 1.41 3 10 -14 62.19 3.81 -3 -10 14 57.80 3.56 -2 -10 14 0.37 1.38 2 10 -14 -0.34 1.20 1 10 -14 82.36 4.76 -1 -10 14 82.02 4.28 0 -10 14 27.09 2.57 0 -10 14 26.53 2.55 0 -10 14 26.00 2.73 0 10 -14 23.18 2.75 1 -10 14 2.82 1.56 -1 10 -14 0.30 1.46 1 -10 14 1.56 1.39 1 -10 14 0.05 1.46 -1 10 -14 0.04 1.54 2 -10 14 86.49 4.43 2 -10 14 87.02 4.46 2 -10 14 91.28 4.95 -2 10 -14 82.60 5.11 -2 10 -14 88.07 4.56 3 -10 14 0.16 1.31 -3 10 -14 2.02 1.67 -3 10 -14 0.00 1.56 -4 10 -14 96.67 4.95 -5 10 -14 5.69 1.95 -6 10 -14 49.63 3.73 8 9 -14 22.36 3.26 -7 -9 14 21.24 2.10 7 9 -14 21.85 3.14 -6 -9 14 1.70 1.35 5 9 -14 27.11 2.28 -5 -9 14 28.79 2.43 -4 -9 14 9.28 1.70 4 9 -14 6.66 1.50 3 9 -14 70.32 4.12 -3 -9 14 74.59 3.88 -2 -9 14 34.36 2.78 2 9 -14 28.85 2.79 -1 -9 14 72.96 3.91 1 9 -14 71.95 4.44 -1 -9 14 71.11 4.31 0 9 -14 20.02 2.52 0 -9 14 16.80 2.13 0 9 -14 17.94 2.21 0 -9 14 18.71 2.39 -1 9 -14 1.38 1.59 1 -9 14 1.42 1.40 -1 9 -14 -0.05 1.35 1 -9 14 5.54 1.56 -2 9 -14 57.53 4.16 2 -9 14 56.02 3.47 -2 9 -14 61.38 3.67 2 -9 14 61.47 3.64 2 -9 14 57.91 3.82 -3 9 -14 25.55 2.99 3 -9 14 25.55 2.60 -3 9 -14 23.02 2.53 -4 9 -14 107.57 5.19 4 -9 14 114.35 5.42 -5 9 -14 15.33 2.34 -6 9 -14 28.81 2.86 -8 -8 14 1.15 1.12 8 8 -14 1.38 1.91 -7 -8 14 37.26 2.69 7 8 -14 38.03 3.79 -6 -8 14 2.99 1.35 5 8 -14 2.29 1.11 -5 -8 14 1.56 1.19 4 8 -14 9.56 1.66 -4 -8 14 6.60 1.54 -3 -8 14 0.20 1.12 3 8 -14 -0.33 1.13 -2 -8 14 41.26 2.88 2 8 -14 41.42 3.23 1 8 -14 0.93 1.37 -1 -8 14 3.12 1.36 -1 -8 14 1.05 1.37 0 -8 14 49.30 3.38 0 -8 14 37.59 2.87 0 8 -14 46.74 3.12 0 8 -14 42.81 3.49 -1 8 -14 -0.80 1.26 1 -8 14 0.48 1.20 -1 8 -14 -0.11 1.37 1 -8 14 1.65 1.32 2 -8 14 8.83 1.72 -2 8 -14 7.58 1.80 -2 8 -14 7.88 1.99 2 -8 14 8.88 1.77 -3 8 -14 20.74 2.34 -3 8 -14 19.61 2.63 3 -8 14 19.67 2.27 4 -8 14 5.15 1.45 -4 8 -14 0.84 1.54 -5 8 -14 51.05 3.56 -6 8 -14 0.44 1.53 -8 -7 14 18.88 1.90 -7 -7 14 6.46 2.08 -7 -7 14 7.33 1.52 -6 -7 14 46.37 2.93 -6 -7 14 42.59 3.78 6 7 -14 49.71 2.60 5 7 -14 7.45 1.43 -5 -7 14 5.44 1.42 -4 -7 14 1.78 1.21 4 7 -14 0.82 1.15 3 7 -14 12.65 2.00 -3 -7 14 17.38 1.98 -2 -7 14 22.57 2.12 2 7 -14 17.11 2.22 -2 -7 14 21.21 2.34 -1 -7 14 72.25 4.10 1 7 -14 73.94 3.77 1 7 -14 63.69 4.07 -1 -7 14 69.66 3.63 0 7 -14 39.46 2.82 0 7 -14 31.52 2.90 0 -7 14 30.45 2.79 0 -7 14 31.89 2.56 -1 7 -14 55.17 3.36 1 -7 14 56.76 3.24 -1 7 -14 52.25 3.75 1 -7 14 52.69 3.50 2 -7 14 17.07 2.14 -2 7 -14 21.71 2.22 2 -7 14 21.06 2.15 -2 7 -14 22.04 2.59 -3 7 -14 51.46 3.87 -3 7 -14 47.53 3.28 3 -7 14 47.23 3.37 -4 7 -14 18.72 2.26 4 -7 14 14.54 1.98 5 -7 14 9.62 1.75 -5 7 -14 10.60 1.97 -6 7 -14 20.65 2.44 -7 7 -14 19.09 2.44 -9 -6 14 0.63 1.01 -8 -6 14 38.83 2.65 -8 -6 14 40.66 3.56 -7 -6 14 5.57 2.01 -7 -6 14 7.54 1.53 -6 -6 14 41.74 2.73 -6 -6 14 39.52 3.55 6 6 -14 44.21 2.53 5 6 -14 6.61 1.45 -5 -6 14 5.23 1.39 -4 -6 14 38.87 2.75 4 6 -14 37.50 2.87 3 6 -14 90.11 4.59 -3 -6 14 92.36 4.19 -2 -6 14 2.31 1.30 -2 -6 14 3.49 1.42 2 6 -14 1.71 1.40 -1 -6 14 169.62 6.26 1 6 -14 182.34 6.35 1 6 -14 180.05 7.27 -1 -6 14 177.96 7.04 0 -6 14 19.56 2.19 0 6 -14 19.94 2.40 0 6 -14 22.97 2.16 0 -6 14 24.42 2.18 1 -6 14 177.64 6.28 -1 6 -14 164.65 7.17 -1 6 -14 179.99 6.39 1 -6 14 170.59 6.88 -2 6 -14 -1.82 1.17 2 -6 14 -0.59 1.15 2 -6 14 -0.86 1.12 -2 6 -14 0.08 1.43 -3 6 -14 76.75 4.65 3 -6 14 76.46 4.16 -3 6 -14 67.99 3.87 -4 6 -14 16.71 2.20 4 -6 14 20.15 2.22 -5 6 -14 2.51 1.48 5 -6 14 -0.01 1.08 -6 6 -14 79.11 4.23 -7 6 -14 -0.37 1.26 -9 -5 14 1.95 1.15 -8 -5 14 49.20 2.87 -8 -5 14 46.32 3.69 -7 -5 14 64.86 4.24 -7 -5 14 63.63 3.34 -6 -5 14 25.81 2.12 6 5 -14 20.29 1.80 -6 -5 14 20.66 2.60 -5 -5 14 82.35 3.85 5 5 -14 90.44 4.17 -5 -5 14 80.81 4.77 4 5 -14 99.18 4.61 -4 -5 14 88.74 4.07 -3 -5 14 196.74 6.75 3 5 -14 195.03 7.53 -2 -5 14 2.45 1.27 -2 -5 14 3.87 1.39 2 5 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-14 101.66 5.01 0 4 -14 4.59 1.60 0 4 -14 3.29 1.31 0 -4 14 4.61 1.38 0 -4 14 2.81 1.25 -1 4 -14 45.37 3.37 1 -4 14 47.84 2.88 1 -4 14 49.41 3.17 -1 4 -14 42.61 2.85 -2 4 -14 146.18 6.52 2 -4 14 139.17 5.99 -2 4 -14 152.66 5.74 2 -4 14 148.55 5.54 3 -4 14 16.05 2.03 -3 4 -14 16.63 2.05 4 -4 14 101.52 4.74 -4 4 -14 97.80 4.60 -5 4 -14 16.31 2.12 5 -4 14 13.86 1.73 -6 4 -14 33.96 2.80 -7 4 -14 2.54 1.44 -10 -3 14 2.68 1.18 -9 -3 14 22.51 2.66 -9 -3 14 27.46 2.18 -8 -3 14 3.47 1.26 -8 -3 14 1.15 1.64 7 3 -14 1.44 0.91 -7 -3 14 0.30 1.59 -7 -3 14 1.27 1.15 6 3 -14 6.03 1.36 -6 -3 14 9.36 2.05 -6 -3 14 4.27 1.30 -5 -3 14 11.40 2.16 5 3 -14 10.29 1.62 -5 -3 14 8.63 1.52 4 3 -14 68.20 3.80 -4 -3 14 67.90 3.43 -3 -3 14 97.56 4.70 -3 -3 14 97.37 4.23 3 3 -14 97.55 4.74 3 3 -14 106.69 4.32 2 3 -14 100.72 4.27 -2 -3 14 95.79 4.19 -2 -3 14 93.99 4.62 2 3 -14 101.63 4.84 1 3 -14 -0.66 1.05 1 3 -14 -1.82 1.07 -1 -3 14 0.32 1.13 -1 -3 14 0.93 1.12 0 -3 14 3.80 1.37 0 -3 14 4.30 1.32 0 3 -14 3.25 1.37 0 3 -14 4.40 1.57 1 -3 14 22.09 2.23 -1 3 -14 29.06 2.73 1 -3 14 24.95 2.15 -1 3 -14 20.52 2.13 2 -3 14 44.88 3.08 -2 3 -14 44.84 3.04 -2 3 -14 49.21 3.64 3 -3 14 64.98 3.73 -3 3 -14 71.27 3.71 -4 3 -14 53.85 3.39 4 -3 14 58.22 3.45 5 -3 14 17.23 1.90 -5 3 -14 18.70 2.20 -6 3 -14 5.25 1.65 -7 3 -14 3.46 1.54 -10 -2 14 2.67 1.25 -9 -2 14 68.35 4.32 -9 -2 14 72.20 3.50 -8 -2 14 17.46 2.46 -8 -2 14 17.25 1.92 7 2 -14 33.90 2.23 -7 -2 14 30.76 2.42 -7 -2 14 30.94 2.97 -6 -2 14 84.12 4.63 6 2 -14 76.52 3.83 -6 -2 14 79.20 3.75 -5 -2 14 1.66 1.22 5 2 -14 1.12 1.22 -4 -2 14 224.03 7.31 4 2 -14 219.23 8.06 3 2 -14 26.20 2.42 3 2 -14 26.50 2.17 -3 -2 14 24.98 2.33 -3 -2 14 22.56 2.07 -2 -2 14 133.83 5.67 2 2 -14 128.51 5.76 2 2 -14 130.42 5.06 -2 -2 14 140.54 5.15 1 2 -14 -0.15 1.07 -1 -2 14 0.72 1.19 1 2 -14 -1.10 1.12 -1 -2 14 0.41 1.07 0 -2 14 117.90 5.27 0 2 -14 114.74 5.47 0 -2 14 118.04 4.72 0 2 -14 124.29 4.91 1 -2 14 121.96 4.89 1 -2 14 124.40 5.43 -1 2 -14 128.20 5.85 -1 2 -14 125.39 5.08 -2 2 -14 1.51 1.54 -2 2 -14 2.21 1.38 2 -2 14 1.85 1.24 3 -2 14 206.34 7.62 -3 2 -14 204.40 7.23 -4 2 -14 10.58 1.85 4 -2 14 8.99 1.56 5 -2 14 83.41 3.95 -5 2 -14 81.77 4.20 -6 2 -14 -0.03 1.40 -10 -1 14 30.49 2.44 -9 -1 14 17.10 2.42 -9 -1 14 20.30 2.02 -8 -1 14 106.02 5.50 -8 -1 14 110.15 4.50 7 1 -14 10.08 1.50 -7 -1 14 12.44 1.71 -7 -1 14 9.47 2.04 6 1 -14 120.93 5.12 -6 -1 14 127.72 5.92 -6 -1 14 117.53 4.78 -5 -1 14 4.31 1.37 5 1 -14 6.33 1.53 4 1 -14 102.03 5.03 -4 -1 14 121.82 5.26 -4 -1 14 116.71 4.60 -3 -1 14 121.61 4.74 3 1 -14 117.87 4.69 -3 -1 14 123.78 5.34 3 1 -14 111.48 5.23 -2 -1 14 74.49 3.54 -2 -1 14 66.26 3.82 2 1 -14 82.99 3.71 2 1 -14 67.65 3.95 1 1 -14 170.22 7.02 1 1 -14 189.02 6.38 -1 -1 14 172.17 6.78 -1 -1 14 172.73 6.13 0 1 -14 103.05 5.10 0 -1 14 102.82 4.78 0 1 -14 97.64 4.40 0 -1 14 105.48 4.33 1 -1 14 254.72 8.22 -1 1 -14 256.74 9.53 1 -1 14 262.42 9.16 -1 1 -14 260.37 8.44 2 -1 14 18.35 2.06 -2 1 -14 17.29 2.05 3 -1 14 139.95 5.81 -3 1 -14 143.10 5.67 4 -1 14 17.96 1.95 -4 1 -14 18.73 2.16 5 -1 14 21.34 1.97 -5 1 -14 21.78 2.35 -6 1 -14 13.93 2.03 -10 0 14 36.11 2.61 -9 0 14 -0.18 1.16 -9 0 14 -1.33 1.59 -8 0 14 100.83 5.35 -8 0 14 103.68 4.42 8 0 -14 107.51 4.00 7 0 -14 10.17 1.55 -7 0 14 5.33 1.44 -6 0 14 139.29 5.37 6 0 -14 144.52 5.79 5 0 -14 21.24 2.21 -5 0 14 25.11 2.19 -4 0 14 69.23 3.58 -4 0 14 73.61 3.98 4 0 -14 77.09 4.07 -3 0 14 43.34 3.14 3 0 -14 46.08 3.24 -3 0 14 50.12 2.99 3 0 -14 51.41 2.95 -2 0 14 4.66 1.46 2 0 -14 7.44 1.68 2 0 -14 8.88 1.55 -2 0 14 8.71 1.54 1 0 -14 134.56 6.00 1 0 -14 139.45 5.32 -1 0 14 138.41 5.81 -1 0 14 130.04 5.13 0 0 14 3.37 1.28 0 0 -14 1.36 1.39 0 0 -14 3.16 1.36 0 0 14 1.25 1.20 -1 0 -14 244.04 9.10 1 0 14 233.06 8.57 -1 0 -14 240.18 8.00 -2 0 -14 0.08 1.24 2 0 14 -0.50 1.12 -3 0 -14 58.02 3.47 3 0 14 62.79 3.54 -4 0 -14 2.76 1.42 4 0 14 1.94 1.13 -5 0 -14 32.28 2.74 -6 0 -14 43.38 3.14 -10 1 14 17.78 1.96 -9 1 14 4.17 1.99 -9 1 14 6.30 1.50 -8 1 14 8.44 1.62 8 -1 -14 8.91 1.40 7 -1 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2 14 37.58 3.05 2 -2 -14 44.97 3.38 -2 2 14 38.93 2.80 -1 2 14 2.50 1.32 -1 2 14 1.40 1.27 1 -2 -14 0.25 1.38 1 -2 -14 -0.43 1.18 0 2 14 61.69 3.69 0 -2 -14 53.53 3.37 0 -2 -14 53.88 3.88 1 2 14 5.03 1.50 -1 -2 -14 7.10 1.64 2 2 14 54.73 3.47 -2 -2 -14 53.67 3.44 3 2 14 0.71 1.13 -3 -2 -14 -0.48 1.33 -4 -2 -14 50.00 3.49 -5 -2 -14 13.58 2.13 -9 3 14 19.46 2.14 8 -3 -14 0.46 1.15 -8 3 14 0.85 1.30 -7 3 14 25.42 2.38 7 -3 -14 17.97 2.15 6 -3 -14 26.43 2.50 -6 3 14 25.82 2.42 -5 3 14 21.10 2.23 5 -3 -14 20.37 2.38 -4 3 14 115.06 4.89 4 -3 -14 109.39 5.42 -4 3 14 116.51 5.51 -3 3 14 23.35 2.30 -3 3 14 23.77 2.52 3 -3 -14 19.20 2.45 3 -3 -14 20.67 2.22 2 -3 -14 105.31 4.69 -2 3 14 107.12 5.09 -2 3 14 95.24 4.46 2 -3 -14 92.97 5.13 -1 3 14 4.84 1.53 -1 3 14 4.16 1.56 1 -3 -14 3.10 1.52 1 -3 -14 3.63 1.84 0 3 14 64.09 3.95 0 -3 -14 70.31 3.88 0 -3 -14 69.61 4.47 1 3 14 16.92 2.11 -1 -3 -14 16.37 2.19 -2 -3 -14 31.43 2.75 -3 -3 -14 23.45 2.55 -4 -3 -14 34.65 2.98 -9 4 14 16.33 2.10 -8 4 14 11.41 2.01 -7 4 14 25.55 2.56 -6 4 14 60.02 3.61 6 -4 -14 54.51 3.69 -5 4 14 8.65 1.81 5 -4 -14 7.27 1.80 -4 4 14 86.08 4.76 4 -4 -14 82.10 4.76 -4 4 14 81.92 4.17 3 -4 -14 -1.29 1.33 -3 4 14 -0.39 1.32 3 -4 -14 -3.55 1.24 -3 4 14 0.61 1.35 -2 4 14 60.52 3.56 2 -4 -14 59.19 3.73 -2 4 14 65.61 4.06 2 -4 -14 63.92 4.29 -1 4 14 0.55 1.48 1 -4 -14 1.81 1.52 1 -4 -14 0.85 1.64 0 4 14 63.34 3.97 0 -4 -14 68.07 4.01 -1 -4 -14 19.55 2.41 -2 -4 -14 4.94 1.83 -3 -4 -14 26.26 2.71 -8 5 14 29.01 2.74 -7 5 14 1.48 1.61 -6 5 14 59.27 3.79 -5 5 14 -0.53 1.43 5 -5 -14 1.42 1.45 -4 5 14 8.47 1.89 4 -5 -14 9.17 2.09 -4 5 14 9.91 2.10 3 -5 -14 0.96 1.60 -3 5 14 1.16 1.52 -3 5 14 0.84 1.55 3 -5 -14 2.22 1.57 2 -5 -14 24.34 2.89 -2 5 14 21.25 2.50 -2 5 14 21.82 2.39 2 -5 -14 22.50 2.56 1 -5 -14 58.06 3.87 -1 5 14 51.07 3.79 1 -5 -14 52.05 4.17 0 -5 -14 4.64 1.93 -1 -5 -14 28.93 2.95 -2 -5 -14 -0.75 1.52 -7 6 14 13.52 2.39 -6 6 14 16.39 2.43 -5 6 14 13.13 2.24 -4 6 14 1.18 1.53 -4 6 14 -2.22 1.32 3 -6 -14 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30.02 2.97 -4 10 -15 12.23 2.29 -5 10 -15 7.03 2.05 -6 -9 15 32.63 2.71 -5 -9 15 6.65 1.68 -4 -9 15 24.54 2.46 3 9 -15 5.28 1.65 -3 -9 15 6.53 1.65 -2 -9 15 74.88 4.07 2 9 -15 77.05 4.51 1 9 -15 16.51 2.38 -1 -9 15 15.35 2.15 0 -9 15 23.85 2.47 0 -9 15 18.56 2.52 0 9 -15 25.57 2.91 1 -9 15 51.71 3.72 1 -9 15 49.53 3.36 -1 9 -15 44.59 3.35 -1 9 -15 47.00 3.90 2 -9 15 2.05 1.44 -2 9 -15 5.80 2.02 -2 9 -15 2.01 1.58 -3 9 -15 77.80 5.10 -3 9 -15 64.35 4.08 -4 9 -15 1.44 1.63 -5 9 -15 67.72 4.25 -7 -8 15 0.09 1.17 -6 -8 15 62.53 3.58 -5 -8 15 2.73 1.40 5 8 -15 1.27 1.12 -4 -8 15 18.46 2.15 4 8 -15 23.22 2.35 -3 -8 15 18.34 2.12 3 8 -15 18.74 2.31 -2 -8 15 86.94 4.35 2 8 -15 96.65 5.10 -1 -8 15 122.44 5.12 1 8 -15 114.04 5.77 -1 -8 15 107.85 5.50 0 8 -15 69.99 3.92 0 8 -15 66.92 4.40 0 -8 15 68.21 4.19 0 -8 15 64.33 3.72 -1 8 -15 104.66 4.91 -1 8 -15 101.64 5.56 1 -8 15 108.53 4.85 1 -8 15 100.56 5.26 -2 8 -15 1.64 1.50 2 -8 15 -0.32 1.21 -2 8 -15 1.01 1.61 3 -8 15 69.97 4.19 -3 8 -15 69.37 4.18 -3 8 -15 74.85 4.88 -4 8 -15 13.47 2.27 -5 8 -15 54.55 3.86 -6 8 -15 -0.68 1.46 -8 -7 15 31.99 2.51 -7 -7 15 1.71 1.35 -6 -7 15 57.39 3.37 6 7 -15 61.28 3.01 5 7 -15 0.59 1.09 -5 -7 15 1.60 1.31 -4 -7 15 19.59 2.13 4 7 -15 18.92 2.17 -3 -7 15 1.84 1.36 3 7 -15 4.94 1.59 2 7 -15 8.60 1.81 -2 -7 15 10.03 1.79 1 7 -15 72.84 3.93 1 7 -15 69.53 4.37 -1 -7 15 70.04 3.75 -1 -7 15 69.36 4.19 0 -7 15 14.81 2.17 0 7 -15 17.47 2.15 0 -7 15 15.27 1.97 0 7 -15 16.14 2.32 -1 7 -15 70.14 3.91 1 -7 15 67.16 4.09 1 -7 15 76.50 3.84 -1 7 -15 65.53 4.36 -2 7 -15 23.06 2.44 -2 7 -15 23.75 2.81 2 -7 15 28.07 2.65 3 -7 15 37.69 3.10 -3 7 -15 40.44 3.13 -4 7 -15 1.68 1.55 -5 7 -15 -1.56 1.47 -6 7 -15 15.10 2.30 -8 -6 15 2.95 1.31 -7 -6 15 19.84 2.10 -6 -6 15 2.43 1.30 6 6 -15 -0.16 0.93 -5 -6 15 1.86 1.36 5 6 -15 4.05 1.35 -4 -6 15 15.27 1.97 4 6 -15 18.19 2.18 3 6 -15 14.15 2.09 -3 -6 15 16.54 2.02 -2 -6 15 7.23 1.61 2 6 -15 6.13 1.68 -2 -6 15 8.23 1.76 1 6 -15 -0.04 1.36 -1 -6 15 2.41 1.38 -1 -6 15 4.03 1.53 1 6 -15 3.87 1.44 0 6 -15 19.49 2.14 0 6 -15 17.96 2.45 0 -6 15 18.15 2.22 0 -6 15 20.53 2.10 -1 6 -15 18.19 2.14 1 -6 15 18.20 2.08 -1 6 -15 13.05 2.24 1 -6 15 14.23 2.08 -2 6 -15 9.13 2.06 -2 6 -15 6.74 1.73 2 -6 15 9.16 1.77 3 -6 15 11.71 1.97 -3 6 -15 10.03 1.92 -4 6 -15 4.65 1.76 4 -6 15 5.78 1.56 -5 6 -15 7.79 1.88 -6 6 -15 -0.16 1.41 -9 -5 15 2.60 1.21 -8 -5 15 3.21 1.29 -8 -5 15 2.62 1.90 -7 -5 15 6.11 1.54 6 5 -15 1.25 1.07 -6 -5 15 2.05 1.30 5 5 -15 41.84 3.01 -5 -5 15 41.53 2.85 4 5 -15 61.70 3.77 -4 -5 15 61.62 3.43 3 5 -15 19.61 2.34 -3 -5 15 19.70 2.10 -2 -5 15 63.15 3.91 -2 -5 15 67.17 3.56 2 5 -15 65.64 4.04 -1 -5 15 3.29 1.40 -1 -5 15 5.26 1.43 1 5 -15 6.21 1.56 1 5 -15 3.33 1.50 0 5 -15 37.63 3.22 0 5 -15 28.15 2.48 0 -5 15 31.62 2.62 0 -5 15 36.31 2.92 -1 5 -15 14.71 2.01 -1 5 -15 11.63 2.16 1 -5 15 15.67 1.95 1 -5 15 15.15 2.06 2 -5 15 68.87 4.03 -2 5 -15 75.19 4.57 -2 5 -15 68.71 3.84 3 -5 15 10.89 1.89 -3 5 -15 11.84 2.03 4 -5 15 28.46 2.59 -4 5 -15 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72.69 4.25 -3 -1 -16 -1.45 1.47 -8 2 16 0.73 1.47 -7 2 16 20.27 2.36 -6 2 16 0.01 1.48 -5 2 16 165.92 6.53 -4 2 16 28.14 2.66 4 -2 -16 24.05 2.71 -3 2 16 59.36 3.71 -3 2 16 64.77 4.14 3 -2 -16 56.37 4.04 -2 2 16 30.07 2.69 2 -2 -16 27.21 2.70 -2 2 16 23.21 2.66 2 -2 -16 26.82 2.94 1 -2 -16 3.48 1.81 -1 2 16 3.46 1.56 1 -2 -16 1.10 1.53 0 -2 -16 53.19 3.71 -1 -2 -16 -0.29 1.52 -2 -2 -16 100.73 5.15 -7 3 16 2.55 1.68 -6 3 16 20.50 2.50 -5 3 16 10.83 2.12 -4 3 16 35.95 2.99 -4 3 16 37.24 3.40 -3 3 16 14.89 2.19 -3 3 16 15.73 2.30 2 -3 -16 0.24 1.55 2 -3 -16 4.69 1.84 -2 3 16 3.79 1.71 1 -3 -16 -1.31 1.34 1 -3 -16 1.62 1.64 0 -3 -16 7.35 2.07 -1 -3 -16 21.27 2.67 -7 4 16 0.23 1.56 -6 4 16 15.41 2.33 -5 4 16 8.00 2.00 -4 4 16 27.72 2.80 -3 4 16 7.69 1.93 2 -4 -16 3.36 1.80 1 -4 -16 2.50 1.76 0 -4 -16 1.63 1.74 -5 5 16 14.03 2.35 -4 5 16 6.09 1.97 2 -5 -16 10.29 2.28 1 -5 -16 39.33 3.42 -4 6 16 0.44 1.76 0 -11 17 53.47 3.97 0 -11 17 58.22 4.04 -2 -10 17 1.29 1.62 -1 -10 17 2.24 1.58 0 -10 17 39.92 3.31 -2 10 -17 35.90 3.29 -4 -9 17 10.58 2.08 -3 -9 17 0.99 1.62 -2 -9 17 42.24 3.37 -1 -9 17 6.21 1.92 0 -9 17 8.88 2.07 -2 9 -17 2.68 1.85 -3 9 -17 21.93 2.76 -5 -8 17 0.83 1.49 -4 -8 17 0.28 1.43 -3 -8 17 16.78 2.29 -2 -8 17 23.61 2.54 -1 -8 17 38.43 3.16 -1 -8 17 30.16 3.09 0 -8 17 5.34 1.80 0 -8 17 2.85 1.69 -1 8 -17 17.25 2.53 -2 8 -17 20.96 2.73 -3 8 -17 5.85 2.00 -6 -7 17 10.25 1.93 -5 -7 17 20.21 2.42 -4 -7 17 11.00 2.01 -3 -7 17 43.93 3.36 -2 -7 17 9.47 1.97 -1 -7 17 83.86 4.42 -1 -7 17 78.70 4.85 0 -7 17 2.72 1.64 0 7 -17 4.82 1.93 0 7 -17 4.34 1.85 0 -7 17 1.14 1.60 -1 7 -17 10.67 2.20 -1 7 -17 12.47 2.39 -2 7 -17 18.96 2.52 -2 7 -17 12.67 2.49 -3 7 -17 2.04 1.74 -4 7 -17 101.79 5.27 -6 -6 17 4.72 1.64 -5 -6 17 61.77 3.81 -4 -6 17 11.05 2.00 -3 -6 17 61.69 3.77 2 6 -17 84.20 4.91 -2 -6 17 79.36 4.29 1 6 -17 75.67 4.76 -1 -6 17 66.03 4.31 -1 -6 17 69.89 4.04 0 6 -17 76.14 4.90 0 -6 17 76.02 4.22 0 6 -17 77.57 4.28 0 -6 17 70.62 4.46 1 -6 17 26.71 2.83 -1 6 -17 34.10 2.94 -1 6 -17 29.20 3.25 -2 6 -17 46.61 3.48 -2 6 -17 41.09 3.76 -3 6 -17 1.18 1.57 -4 6 -17 78.59 4.56 -7 -5 17 74.72 4.04 -6 -5 17 0.19 1.45 -5 -5 17 58.73 3.65 -4 -5 17 10.74 1.97 3 5 -17 16.28 2.34 -3 -5 17 15.70 2.15 2 5 -17 26.72 2.90 -2 -5 17 29.22 2.96 -2 -5 17 32.36 2.73 -1 -5 17 11.47 2.07 1 5 -17 10.40 2.05 -1 -5 17 10.63 1.95 1 5 -17 6.97 2.04 0 -5 17 62.02 4.14 0 -5 17 60.52 3.79 0 5 -17 71.46 4.75 0 5 -17 60.89 3.90 -1 5 -17 8.23 2.19 1 -5 17 7.57 1.85 -1 5 -17 7.36 1.95 -2 5 -17 56.97 3.81 -3 5 -17 -0.74 1.51 -4 5 -17 28.26 2.98 -7 -4 17 6.59 1.70 -6 -4 17 14.08 2.08 -5 -4 17 18.16 2.25 4 4 -17 6.50 1.77 -4 -4 17 8.61 1.85 -3 -4 17 4.02 1.57 3 4 -17 4.40 1.68 -2 -4 17 4.08 1.68 -2 -4 17 1.58 1.66 2 4 -17 3.87 1.83 -1 -4 17 2.68 1.60 1 4 -17 6.07 1.98 1 4 -17 6.57 1.86 -1 -4 17 4.35 1.71 0 4 -17 4.34 2.01 0 -4 17 2.11 1.55 0 -4 17 5.39 1.69 0 4 -17 0.73 1.54 -1 4 -17 12.86 2.21 1 -4 17 12.15 2.13 -1 4 -17 11.06 2.36 -2 4 -17 37.87 3.15 -3 4 -17 23.05 2.67 -4 4 -17 12.00 2.27 -7 -3 17 2.10 1.44 -6 -3 17 18.66 2.29 -5 -3 17 13.36 2.06 -4 -3 17 13.50 2.06 4 3 -17 13.51 2.17 3 3 -17 1.87 1.49 -3 -3 17 1.75 1.55 2 3 -17 57.33 4.12 -2 -3 17 58.17 4.05 -2 -3 17 59.29 3.71 -1 -3 17 63.79 3.73 -1 -3 17 58.79 4.07 1 3 -17 63.02 4.40 1 3 -17 60.98 3.79 0 3 -17 -1.73 1.36 0 -3 17 -0.67 1.22 0 3 -17 2.03 1.78 0 -3 17 0.35 1.40 -1 3 -17 41.83 3.33 -1 3 -17 55.08 4.22 1 -3 17 43.85 3.43 -2 3 -17 5.64 1.87 -3 3 -17 41.18 3.35 -4 3 -17 -0.17 1.54 -8 -2 17 39.99 3.02 -7 -2 17 8.50 1.79 -6 -2 17 13.23 2.07 -5 -2 17 17.24 2.17 4 2 -17 15.65 2.27 -4 -2 17 15.94 2.20 3 2 -17 120.96 6.01 -3 -2 17 118.41 5.98 -3 -2 17 128.65 5.44 -2 -2 17 7.05 1.81 2 2 -17 6.03 2.05 -2 -2 17 7.28 1.94 1 2 -17 129.08 6.35 1 2 -17 120.51 5.45 -1 -2 17 115.77 5.33 -1 -2 17 126.29 6.03 0 2 -17 -0.06 1.64 0 -2 17 -0.85 1.20 0 2 -17 -0.67 1.42 -1 2 -17 62.57 4.72 -1 2 -17 70.93 4.14 -2 2 -17 22.45 2.63 -3 2 -17 35.64 3.16 -7 -1 17 18.61 2.27 -6 -1 17 15.73 2.19 -5 -1 17 17.16 2.27 -4 -1 17 16.00 2.20 4 1 -17 15.34 2.29 -3 -1 17 144.84 6.67 -3 -1 17 145.70 5.96 3 1 -17 142.10 6.70 2 1 -17 -0.32 1.50 -2 -1 17 1.38 1.45 -2 -1 17 -0.96 1.50 2 1 -17 1.03 1.55 1 1 -17 137.17 5.88 -1 -1 17 133.16 5.66 -1 -1 17 132.20 6.29 1 1 -17 138.21 6.70 0 1 -17 1.54 1.52 0 -1 17 4.20 1.69 0 1 -17 0.92 1.63 -1 1 -17 33.49 3.01 -2 1 -17 13.11 2.27 -3 1 -17 7.87 2.13 -7 0 17 14.40 2.20 -6 0 17 1.95 1.64 -5 0 17 17.12 2.34 -4 0 17 3.13 1.71 -3 0 17 13.06 2.19 -3 0 17 16.20 2.49 3 0 -17 15.01 2.41 2 0 -17 19.33 2.60 -2 0 17 16.96 2.42 -2 0 17 20.57 2.35 2 0 -17 18.49 2.39 -1 0 17 13.84 2.26 1 0 -17 21.27 2.49 1 0 -17 14.97 2.46 -1 0 17 13.65 2.11 0 0 -17 3.82 1.86 0 0 -17 4.33 1.79 -1 0 -17 13.12 2.35 -2 0 -17 9.98 2.20 -7 1 17 15.92 2.24 -6 1 17 16.95 2.38 -5 1 17 10.19 2.17 -4 1 17 44.93 3.40 -3 1 17 2.40 1.78 -3 1 17 6.03 1.87 -2 1 17 15.81 2.25 2 -1 -17 12.34 2.13 -2 1 17 13.67 2.26 1 -1 -17 8.93 2.16 1 -1 -17 10.68 2.10 0 -1 -17 7.67 2.00 -1 -1 -17 4.45 1.88 -2 -1 -17 27.79 2.99 -6 2 17 37.49 3.10 -5 2 17 -0.82 1.61 -4 2 17 52.79 3.70 -3 2 17 2.76 1.71 2 -2 -17 13.59 2.27 -2 2 17 10.95 2.09 1 -2 -17 4.58 1.84 0 -2 -17 5.97 1.93 -1 -2 -17 30.43 3.02 -6 3 17 19.12 2.52 -5 3 17 5.05 1.90 -4 3 17 36.79 3.12 -3 3 17 3.75 1.92 2 -3 -17 13.61 2.43 1 -3 -17 2.92 1.84 0 -3 -17 -0.23 1.68 -5 4 17 -1.14 1.55 -4 4 17 5.35 1.98 0 -10 18 7.29 2.13 -2 -9 18 5.09 1.90 -1 -9 18 49.78 3.72 0 -9 18 1.90 1.76 -2 9 -18 11.54 2.45 -3 -8 18 19.83 2.51 -2 -8 18 -2.04 1.36 -1 -8 18 42.31 3.45 0 -8 18 -1.79 1.49 -2 8 -18 0.06 1.83 -4 -7 18 0.91 1.53 -3 -7 18 -0.51 1.48 -2 -7 18 7.51 1.93 -1 -7 18 10.20 2.13 0 -7 18 4.67 1.85 -1 7 -18 -0.31 1.77 -2 7 -18 -1.76 1.57 -5 -6 18 -0.15 1.46 -4 -6 18 -1.17 1.46 -3 -6 18 8.89 1.97 -2 -6 18 1.87 1.68 -1 -6 18 3.85 1.78 -1 -6 18 2.48 1.66 0 -6 18 18.94 2.44 -1 6 -18 -1.07 1.61 -2 6 -18 1.27 1.69 -5 -5 18 1.80 1.51 -4 -5 18 20.72 2.48 -3 -5 18 5.14 1.73 -2 -5 18 3.10 1.69 -1 -5 18 39.31 3.46 -1 -5 18 35.70 3.06 0 5 -18 5.26 1.95 -1 5 -18 50.28 3.82 -2 5 -18 4.05 1.90 -3 5 -18 20.83 2.76 -6 -4 18 26.38 2.61 -5 -4 18 1.48 1.53 -4 -4 18 35.42 2.99 -3 -4 18 -1.43 1.41 -2 -4 18 14.20 2.35 -2 -4 18 13.53 2.15 -1 -4 18 24.80 2.80 -1 -4 18 23.90 2.57 0 4 -18 1.99 1.68 -1 4 -18 22.36 2.70 -2 4 -18 1.76 1.77 -6 -3 18 3.81 1.65 -5 -3 18 2.76 1.70 -4 -3 18 3.80 1.78 -3 -3 18 -0.06 1.57 -2 -3 18 0.30 1.39 -2 -3 18 -0.34 1.52 -1 -3 18 2.01 1.55 1 3 -18 -0.93 1.52 0 3 -18 10.64 2.14 -1 3 -18 -1.04 1.53 -2 3 -18 5.93 1.94 -6 -2 18 3.02 1.63 -5 -2 18 2.36 1.63 -4 -2 18 5.71 1.80 -3 -2 18 25.41 2.69 -2 -2 18 30.34 3.12 -2 -2 18 40.71 3.28 1 2 -18 1.70 1.63 -1 -2 18 1.75 1.54 0 2 -18 1.35 1.67 -1 2 -18 5.94 1.96 -2 2 -18 -0.37 1.62 -6 -1 18 5.60 1.81 -5 -1 18 1.67 1.65 -4 -1 18 17.99 2.40 -3 -1 18 6.19 1.90 -2 -1 18 30.38 2.80 1 1 -18 -2.12 1.41 0 1 -18 2.69 1.84 -1 1 -18 1.47 1.72 -6 0 18 6.76 1.94 -5 0 18 0.94 1.61 -4 0 18 3.53 1.72 -3 0 18 15.50 2.37 -2 0 18 3.86 1.72 1 0 -18 3.82 1.80 0 0 -18 0.74 1.75 -1 0 -18 2.44 1.82 -5 1 18 -0.56 1.56 -4 1 18 0.61 1.64 -3 1 18 1.78 1.70 1 -1 -18 1.87 1.75 0 -1 -18 0.57 1.72 -4 2 18 0.28 1.68 -3 2 18 -0.03 1.67 1 -2 -18 -0.62 1.61 -1 -8 19 8.64 2.07 -2 -7 19 4.92 1.87 -1 -7 19 0.88 1.69 -3 -6 19 2.33 1.75 -2 -6 19 2.72 1.75 -1 -6 19 7.35 2.01 -1 6 -19 2.65 1.85 -4 -5 19 3.88 1.75 -3 -5 19 8.00 1.98 -2 -5 19 14.36 2.36 -1 -5 19 0.69 1.77 -1 5 -19 -0.13 1.74 -4 -4 19 15.41 2.33 -3 -4 19 4.91 1.85 -2 -4 19 17.92 2.49 -1 -4 19 34.25 3.11 0 4 -19 45.74 3.78 -1 4 -19 35.80 3.35 -4 -3 19 36.02 3.16 -3 -3 19 4.34 1.80 -2 -3 19 29.92 2.90 0 3 -19 0.85 1.72 -1 3 -19 13.53 2.43 -4 -2 19 1.27 1.63 -3 -2 19 11.72 2.24 -2 -2 19 1.49 1.77 0 2 -19 1.82 1.73 -4 -1 19 4.77 1.91 -3 -1 19 22.44 2.59 -2 -1 19 3.59 1.82 0 1 -19 3.58 2.01 -3 0 19 3.77 1.84 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 94912 _shelx_res_file ; copf.res created by SHELXL-2014/7 TITL PF in P-1 CELL 0.71073 8.1712 9.5435 11.9771 104.231 99.490 100.705 ZERR 2.00 0.0006 0.0008 0.0010 0.004 0.004 0.004 LATT 1 SFAC C H N O F CL CO UNIT 20 48 10 2 2 6 2 MERG 2 SUMP 1.0 0.001 1. 2. 1. 3. EADP C2 C2' DFIX 1.80 0.01 C2' H1A C2' H2F DFIX 0.83 0.01 O1W H1W O1W H2W FMAP 2 PLAN 25 EQIV $1 2-x, 1-y, 1-z HTAB N1 Cl3_$1 EQIV $2 x, 1+y, z HTAB O1W Cl2_$2 EQIV $3 1-x, 1-y, 1-z HTAB N2 Cl3_$3 EQIV $4 2-x, 1-y, 2-z HTAB N3 Cl2_$4 EQIV $5 1-x, 1-y, 1-z HTAB N4 Cl3_$5 EQIV $6 2-x, 1-y, 1-z HTAB N5 Cl3_$6 EQIV $7 1-x, 1-y, 2-z HTAB C4 Cl2_$7 HTAB N1 Cl2 HTAB N2 Cl3 HTAB O1W Cl1 HTAB N3 O1W HTAB N4 Cl2 HTAB N5 Cl3 SIZE 0.15 0.20 0.25 ACTA 50.00 BOND $H OMIT -3 50 CONF L.S. 7 WGHT 0.031400 0.267800 FVAR 0.65354 0.83143 0.16833 C1 1 0.802777 0.298378 0.701548 11.00000 0.04862 0.02997 = 0.04842 0.00984 0.00220 0.01136 AFIX 23 H1A 2 0.706879 0.259563 0.732269 11.00000 -1.20000 H1B 2 0.878916 0.231425 0.699415 11.00000 -1.20000 AFIX 0 PART 1 C2 1 0.741245 0.308727 0.581032 21.00000 0.03445 0.02983 = 0.03968 0.00392 0.00611 0.00343 AFIX 23 H2A 2 0.836345 0.326803 0.543386 21.00000 -1.20000 H2B 2 0.661508 0.216743 0.533134 21.00000 -1.20000 AFIX 0 PART 2 C2' 1 0.677343 0.288439 0.594797 31.00000 0.03445 0.02983 = 0.03968 0.00392 0.00611 0.00343 AFIX 23 H2C 2 0.716381 0.244251 0.525113 31.00000 -1.20000 H2D 2 0.568815 0.225212 0.593211 31.00000 -1.20000 AFIX 0 PART 0 C3 1 0.816951 0.741045 0.978136 11.00000 0.03451 0.04320 = 0.02530 0.00320 0.00983 0.00693 AFIX 23 H3A 2 0.840041 0.837933 1.035324 11.00000 -1.20000 H3B 2 0.858153 0.672951 1.017744 11.00000 -1.20000 AFIX 0 C4 1 0.629719 0.685503 0.926128 11.00000 0.03175 0.04659 = 0.03642 0.00687 0.01530 0.01093 AFIX 23 H4A 2 0.570102 0.658370 0.984168 11.00000 -1.20000 H4B 2 0.583913 0.761845 0.900264 11.00000 -1.20000 AFIX 0 C5 1 1.075021 0.799811 0.684158 11.00000 0.02498 0.02953 = 0.02469 0.00841 0.00881 0.00548 C6 1 1.034258 0.910227 0.636165 11.00000 0.03229 0.03724 = 0.03250 0.01471 0.00353 0.00771 AFIX 43 H6 2 0.931850 0.891289 0.581645 11.00000 -1.20000 AFIX 0 C7 1 1.146161 1.048873 0.669452 11.00000 0.04425 0.03397 = 0.04500 0.01905 0.01020 0.00775 AFIX 43 H7 2 1.120713 1.123898 0.637598 11.00000 -1.20000 AFIX 0 C8 1 1.295218 1.072792 0.750427 11.00000 0.03707 0.03266 = 0.04328 0.00791 0.01187 -0.00239 C9 1 1.337904 0.966523 0.800069 11.00000 0.02594 0.04846 = 0.04086 0.01099 0.00071 0.00235 AFIX 43 H9 2 1.439480 0.987057 0.855754 11.00000 -1.20000 AFIX 0 C10 1 1.226699 0.827600 0.765699 11.00000 0.02792 0.03780 = 0.03630 0.01559 0.00563 0.00944 AFIX 43 H10 2 1.253934 0.752978 0.797406 11.00000 -1.20000 AFIX 0 N1 3 0.894064 0.448376 0.778353 11.00000 0.02554 0.03337 = 0.02618 0.01195 0.00637 0.00876 N2 3 0.655225 0.434876 0.593614 11.00000 0.02836 0.03165 = 0.02699 0.00822 0.00002 0.00409 N3 3 0.903328 0.751592 0.879693 11.00000 0.02172 0.03173 = 0.02518 0.00535 0.00409 0.00551 N4 3 0.608489 0.553381 0.824146 11.00000 0.02210 0.03668 = 0.03119 0.01174 0.00447 0.00534 N5 3 0.961603 0.653090 0.646699 11.00000 0.02659 0.02892 = 0.02341 0.00749 0.00475 0.00662 O1W 4 0.807340 1.039503 0.882124 11.00000 0.09331 0.04450 = 0.09912 -0.00422 -0.03607 0.02125 F1 5 1.405123 1.208591 0.783003 11.00000 0.05720 0.04221 = 0.07819 0.01493 0.00116 -0.01567 CL1 6 0.636860 0.750917 0.666693 11.00000 0.03063 0.03459 = 0.03624 0.01167 0.00199 0.01223 CL2 6 0.773746 0.363386 1.002981 11.00000 0.02934 0.04980 = 0.03492 0.02020 0.00575 0.00972 CL3 6 0.772582 0.565748 0.371132 11.00000 0.03308 0.03767 = 0.02931 0.00964 0.00385 0.00967 CO1 7 0.781883 0.597577 0.734315 11.00000 0.01859 0.02502 = 0.02089 0.00680 0.00245 0.00481 H5A 2 0.906619 0.641116 0.579341 11.00000 0.02847 H5B 2 1.026717 0.585828 0.639740 11.00000 0.03992 H2E 2 0.657656 0.458509 0.530599 11.00000 0.03584 H3C 2 0.906967 0.840687 0.870506 11.00000 0.04334 H3D 2 1.004474 0.744163 0.901099 11.00000 0.03270 H4C 2 0.510106 0.534679 0.781999 11.00000 0.03457 H4D 2 0.622467 0.478095 0.850223 11.00000 0.03980 H2F 2 0.544051 0.416773 0.598155 11.00000 0.05136 H1D 2 0.890571 0.445980 0.846249 11.00000 0.03989 H1C 2 0.995341 0.464882 0.771570 11.00000 0.03429 H2W 2 0.747187 0.996084 0.815652 11.00000 0.08652 H1W 2 0.778149 1.118470 0.903024 11.00000 0.08930 HKLF 4 REM PF in P-1 REM R1 = 0.0193 for 2875 Fo > 4sig(Fo) and 0.0215 for all 3053 data REM 243 parameters refined using 5 restraints END WGHT 0.0248 0.4055 REM Highest difference peak 0.466, deepest hole -0.234, 1-sigma level 0.041 Q1 1 0.6525 0.2881 0.6354 11.00000 0.05 0.47 Q2 1 0.8757 0.3157 0.6597 11.00000 0.05 0.32 Q3 1 1.4114 1.1797 0.7161 11.00000 0.05 0.26 Q4 1 1.0603 0.8505 0.6645 11.00000 0.05 0.26 Q5 1 1.0320 0.7372 0.6681 11.00000 0.05 0.22 Q6 1 1.3334 0.9910 0.7431 11.00000 0.05 0.21 Q7 1 1.1323 0.8218 0.7368 11.00000 0.05 0.19 Q8 1 0.6167 0.9259 0.5803 11.00000 0.05 0.19 Q9 1 0.7369 0.4831 0.3666 11.00000 0.05 0.18 Q10 1 1.2588 1.0469 0.6859 11.00000 0.05 0.18 Q11 1 1.0832 0.9795 0.6559 11.00000 0.05 0.18 Q12 1 0.7269 0.2723 0.9599 11.00000 0.05 0.18 Q13 1 1.2963 1.0275 0.7974 11.00000 0.05 0.18 Q14 1 0.7149 0.2923 0.9441 11.00000 0.05 0.18 Q15 1 1.2001 1.0686 0.7370 11.00000 0.05 0.18 Q16 1 0.6541 0.6562 0.6758 11.00000 0.05 0.17 Q17 1 0.7258 0.7182 0.9576 11.00000 0.05 0.17 Q18 1 0.8434 0.2215 0.7193 11.00000 0.05 0.17 Q19 1 1.2647 0.9211 0.8034 11.00000 0.05 0.16 Q20 1 1.3021 0.8926 0.7611 11.00000 0.05 0.16 Q21 1 0.8600 0.7405 0.9292 11.00000 0.05 0.14 Q22 1 0.8349 0.6827 0.8217 11.00000 0.05 0.14 Q23 1 0.6140 0.6223 0.8854 11.00000 0.05 0.14 Q24 1 0.7551 0.5035 0.6638 11.00000 0.05 0.14 Q25 1 0.8265 0.4974 0.7383 11.00000 0.05 0.14 ; _shelx_res_checksum 4989 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C C1 0.8028(3) 0.2984(2) 0.70155(17) 0.0433(4) Uani d 1 . . H H1A 0.7069 0.2596 0.7323 0.052 Uiso calc 1 A 1 H H1B 0.8789 0.2314 0.6994 0.052 Uiso calc 1 A 1 C C2 0.7412(5) 0.3087(3) 0.5810(2) 0.0366(7) Uani d 0.831(10) B 1 H H2A 0.8363 0.3268 0.5434 0.044 Uiso calc 0.831(10) B 1 H H2B 0.6615 0.2167 0.5331 0.044 Uiso calc 0.831(10) B 1 C C2' 0.677(2) 0.2884(16) 0.5948(9) 0.0366(7) Uani d 0.168(10) B 2 H H2C 0.7164 0.2443 0.5251 0.044 Uiso calc 0.168(10) B 2 H H2D 0.5688 0.2252 0.5932 0.044 Uiso calc 0.168(10) B 2 C C3 0.8170(2) 0.7410(2) 0.97814(14) 0.0355(4) Uani d 1 . . H H3A 0.8400 0.8379 1.0353 0.043 Uiso calc 1 . . H H3B 0.8582 0.6730 1.0177 0.043 Uiso calc 1 . . C C4 0.6297(2) 0.6855(2) 0.92613(16) 0.0380(4) Uani d 1 . . H H4A 0.5701 0.6584 0.9842 0.046 Uiso calc 1 . . H H4B 0.5839 0.7618 0.9003 0.046 Uiso calc 1 . . C C5 1.07502(19) 0.79981(17) 0.68416(13) 0.0260(3) Uani d 1 . . C C6 1.0343(2) 0.91023(19) 0.63617(15) 0.0336(4) Uani d 1 . . H H6 0.9318 0.8913 0.5816 0.040 Uiso calc 1 . . C C7 1.1462(2) 1.0489(2) 0.66945(17) 0.0398(4) Uani d 1 . . H H7 1.1207 1.1239 0.6376 0.048 Uiso calc 1 . . C C8 1.2952(2) 1.0728(2) 0.75043(17) 0.0393(4) Uani d 1 . . C C9 1.3379(2) 0.9665(2) 0.80007(17) 0.0404(4) Uani d 1 . . H H9 1.4395 0.9871 0.8558 0.049 Uiso calc 1 . . C C10 1.2267(2) 0.82760(19) 0.76570(15) 0.0330(4) Uani d 1 . . H H10 1.2539 0.7530 0.7974 0.040 Uiso calc 1 . . N N1 0.89406(19) 0.44838(15) 0.77835(13) 0.0274(3) Uani d 1 . . N N2 0.65522(19) 0.43488(16) 0.59361(13) 0.0302(3) Uani d 1 . . N N3 0.90333(18) 0.75159(16) 0.87969(12) 0.0270(3) Uani d 1 . . N N4 0.60849(19) 0.55338(17) 0.82415(13) 0.0300(3) Uani d 1 . . N N5 0.96160(18) 0.65309(15) 0.64670(12) 0.0264(3) Uani d 1 . . O O1W 0.8073(3) 1.0395(2) 0.8821(2) 0.0898(7) Uani d 1 . . F F1 1.40512(17) 1.20859(13) 0.78300(13) 0.0650(4) Uani d 1 . . Cl Cl1 0.63686(5) 0.75092(4) 0.66669(4) 0.03357(11) Uani d 1 . . Cl Cl2 0.77375(5) 0.36339(5) 1.00298(4) 0.03664(11) Uani d 1 . . Cl Cl3 0.77258(5) 0.56575(4) 0.37113(3) 0.03353(11) Uani d 1 . . Co Co1 0.78188(2) 0.59758(2) 0.73432(2) 0.02174(8) Uani d 1 . . H H5A 0.907(2) 0.641(2) 0.5793(18) 0.028(5) Uiso d 1 . . H H5B 1.027(3) 0.586(2) 0.6397(17) 0.040(5) Uiso d 1 . . H H2E 0.658(3) 0.459(2) 0.5306(19) 0.036(5) Uiso d 1 . . H H3C 0.907(3) 0.841(2) 0.8705(18) 0.043(6) Uiso d 1 . . H H3D 1.004(3) 0.744(2) 0.9011(17) 0.033(5) Uiso d 1 . . H H4C 0.510(3) 0.535(2) 0.7820(18) 0.035(5) Uiso d 1 . . H H4D 0.622(3) 0.478(2) 0.8502(18) 0.040(5) Uiso d 1 . . H H2F 0.544(3) 0.417(2) 0.5982(19) 0.051(6) Uiso d 1 . . H H1D 0.891(3) 0.446(2) 0.846(2) 0.040(6) Uiso d 1 . . H H1C 0.995(3) 0.465(2) 0.7716(17) 0.034(5) Uiso d 1 . . H H2W 0.747(3) 0.996(3) 0.8157(14) 0.087(10) Uiso d 1 . . H H1W 0.778(4) 1.118(2) 0.903(3) 0.089(10) Uiso d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 0.0486(11) 0.0300(9) 0.0484(11) 0.0114(8) 0.0022(9) 0.0098(8) C2 0.0345(17) 0.0298(11) 0.0397(11) 0.0034(11) 0.0061(11) 0.0039(8) C2' 0.0345(17) 0.0298(11) 0.0397(11) 0.0034(11) 0.0061(11) 0.0039(8) C3 0.0345(9) 0.0432(10) 0.0253(8) 0.0069(7) 0.0098(7) 0.0032(7) C4 0.0317(9) 0.0466(10) 0.0364(9) 0.0109(8) 0.0153(7) 0.0069(8) C5 0.0250(8) 0.0295(8) 0.0247(8) 0.0055(6) 0.0088(6) 0.0084(6) C6 0.0323(9) 0.0372(9) 0.0325(9) 0.0077(7) 0.0035(7) 0.0147(7) C7 0.0443(11) 0.0340(9) 0.0450(10) 0.0078(8) 0.0102(8) 0.0190(8) C8 0.0371(10) 0.0327(9) 0.0433(10) -0.0024(7) 0.0119(8) 0.0079(8) C9 0.0259(9) 0.0485(11) 0.0409(10) 0.0023(8) 0.0007(7) 0.0110(8) C10 0.0279(9) 0.0378(9) 0.0363(9) 0.0094(7) 0.0056(7) 0.0156(7) N1 0.0255(8) 0.0334(7) 0.0262(8) 0.0088(6) 0.0064(6) 0.0119(6) N2 0.0284(8) 0.0317(7) 0.0270(7) 0.0041(6) 0.0000(6) 0.0082(6) N3 0.0217(7) 0.0317(8) 0.0252(7) 0.0055(6) 0.0041(5) 0.0053(6) N4 0.0221(7) 0.0367(8) 0.0312(7) 0.0053(6) 0.0045(6) 0.0117(6) N5 0.0266(7) 0.0289(7) 0.0234(7) 0.0066(6) 0.0048(6) 0.0075(6) O1W 0.0933(15) 0.0445(10) 0.0991(16) 0.0212(10) -0.0361(12) -0.0042(10) F1 0.0572(8) 0.0422(7) 0.0782(9) -0.0157(6) 0.0012(7) 0.0149(6) Cl1 0.0306(2) 0.0346(2) 0.0362(2) 0.01223(17) 0.00199(17) 0.01167(17) Cl2 0.0293(2) 0.0498(3) 0.0349(2) 0.00972(18) 0.00575(17) 0.02020(19) Cl3 0.0331(2) 0.0377(2) 0.0293(2) 0.00967(17) 0.00385(16) 0.00964(16) Co1 0.01859(12) 0.02502(12) 0.02089(12) 0.00481(8) 0.00245(8) 0.00680(9) 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3494 0.9721 '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 C2' C1 N1 117.6(6) N1 C1 C2 108.71(17) N1 C1 H1A 109.9 C2 C1 H1A 109.9 N1 C1 H1B 109.9 C2 C1 H1B 109.9 H1A C1 H1B 108.3 N2 C2 C1 107.1(2) N2 C2 H2A 110.3 C1 C2 H2A 110.3 N2 C2 H2B 110.3 C1 C2 H2B 110.3 H2A C2 H2B 108.6 N2 C2' C1 110.1(9) N2 C2' H2C 109.6 C1 C2' H2C 109.7 N2 C2' H2D 109.6 C1 C2' H2D 109.6 H2C C2' H2D 108.1 N3 C3 C4 107.41(14) N3 C3 H3A 110.2 C4 C3 H3A 110.2 N3 C3 H3B 110.2 C4 C3 H3B 110.2 H3A C3 H3B 108.5 N4 C4 C3 106.80(14) N4 C4 H4A 110.4 C3 C4 H4A 110.4 N4 C4 H4B 110.4 C3 C4 H4B 110.4 H4A C4 H4B 108.6 C10 C5 C6 120.28(15) C10 C5 N5 119.46(14) C6 C5 N5 120.23(15) C5 C6 C7 119.91(16) C5 C6 H6 120.0 C7 C6 H6 120.0 C8 C7 C6 118.35(16) C8 C7 H7 120.8 C6 C7 H7 120.8 F1 C8 C9 118.59(17) F1 C8 C7 118.41(17) C9 C8 C7 123.00(16) C8 C9 C10 118.52(16) C8 C9 H9 120.7 C10 C9 H9 120.7 C5 C10 C9 119.93(15) C5 C10 H10 120.0 C9 C10 H10 120.0 C1 N1 Co1 109.86(11) C1 N1 H1D 105.6(14) Co1 N1 H1D 111.8(14) C1 N1 H1C 109.1(13) Co1 N1 H1C 110.6(13) H1D N1 H1C 110(2) C2' N2 Co1 115.5(5) C2 N2 Co1 109.53(13) C2' N2 H2E 117.5(14) C2 N2 H2E 103.6(13) Co1 N2 H2E 112.5(14) C2' N2 H2F 95.8(11) C2 N2 H2F 118.2(11) Co1 N2 H2F 107.2(13) H2E N2 H2F 106(2) C3 N3 Co1 111.09(10) C3 N3 H3C 107.5(14) Co1 N3 H3C 110.8(14) C3 N3 H3D 107.2(13) Co1 N3 H3D 111.6(13) H3C N3 H3D 108.5(19) C4 N4 Co1 108.62(10) C4 N4 H4C 108.8(13) Co1 N4 H4C 110.7(13) C4 N4 H4D 109.1(13) Co1 N4 H4D 109.6(13) H4C N4 H4D 110.0(19) C5 N5 Co1 121.40(10) C5 N5 H5A 107.3(13) Co1 N5 H5A 103.8(13) C5 N5 H5B 107.7(13) Co1 N5 H5B 109.6(12) H5A N5 H5B 106.0(18) H2W O1W H1W 105(3) N3 Co1 N1 92.75(6) N3 Co1 N4 84.99(6) N1 Co1 N4 90.62(7) N3 Co1 N2 176.62(6) N1 Co1 N2 85.23(6) N4 Co1 N2 92.31(6) N3 Co1 N5 92.74(6) N1 Co1 N5 91.00(6) N4 Co1 N5 177.27(6) N2 Co1 N5 90.01(6) N3 Co1 Cl1 93.15(5) N1 Co1 Cl1 174.09(4) N4 Co1 Cl1 89.58(5) N2 Co1 Cl1 88.86(4) N5 Co1 Cl1 89.03(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 C2' 1.472(12) C1 N1 1.477(2) C1 C2 1.482(3) C1 H1A 0.9700 C1 H1B 0.9700 C2 N2 1.492(3) C2 H2A 0.9700 C2 H2B 0.9700 C2' N2 1.445(12) C2' H2C 0.9700 C2' H2D 0.9700 C3 N3 1.485(2) C3 C4 1.494(2) C3 H3A 0.9700 C3 H3B 0.9700 C4 N4 1.484(2) C4 H4A 0.9700 C4 H4B 0.9700 C5 C10 1.383(2) C5 C6 1.384(2) C5 N5 1.447(2) C6 C7 1.384(3) C6 H6 0.9300 C7 C8 1.369(3) C7 H7 0.9300 C8 F1 1.357(2) C8 C9 1.365(3) C9 C10 1.383(3) C9 H9 0.9300 C10 H10 0.9300 N1 Co1 1.9598(14) N1 H1D 0.82(2) N1 H1C 0.83(2) N2 Co1 1.9655(14) N2 H2E 0.84(2) N2 H2F 0.91(2) N3 Co1 1.9512(14) N3 H3C 0.88(2) N3 H3D 0.85(2) N4 Co1 1.9613(14) N4 H4C 0.84(2) N4 H4D 0.87(2) N5 Co1 2.0077(13) N5 H5A 0.83(2) N5 H5B 0.90(2) O1W H2W 0.825(10) O1W H1W 0.825(10) Cl1 Co1 2.2610(4) loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA O1W H1W Cl2 1_565 0.825(10) 2.360(14) 3.158(2) 163(3) O1W H2W Cl1 . 0.825(10) 2.47(2) 3.175(2) 144(3) N1 H1C Cl3 2_766 0.83(2) 2.76(2) 3.5027(16) 148.7(17) N1 H1D Cl2 . 0.82(2) 2.47(2) 3.2421(16) 156.7(19) N2 H2E Cl3 . 0.84(2) 2.60(2) 3.4080(16) 160.7(18) N2 H2F Cl3 2_666 0.91(2) 2.70(2) 3.5887(16) 166.3(16) N3 H3C O1W . 0.88(2) 2.18(2) 2.989(2) 152.2(19) N3 H3D Cl2 2_767 0.85(2) 2.50(2) 3.2791(16) 154.0(17) N4 H4D Cl2 . 0.87(2) 2.61(2) 3.4007(17) 151.6(18) N4 H4C Cl3 2_666 0.84(2) 2.56(2) 3.3815(16) 168.7(17) N5 H5A Cl3 . 0.83(2) 2.42(2) 3.2345(15) 168.6(17) N5 H5B Cl3 2_766 0.90(2) 2.38(2) 3.2778(15) 173.0(17) C4 H4A Cl2 2_667 0.97 2.81 3.5148(18) 130.1 loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion N1 C1 C2 N2 -48.3(3) N1 C1 C2' N2 -6.3(13) N3 C3 C4 N4 48.91(19) C10 C5 C6 C7 0.3(2) N5 C5 C6 C7 -177.80(15) C5 C6 C7 C8 -0.4(3) C6 C7 C8 F1 179.91(17) C6 C7 C8 C9 -0.3(3) F1 C8 C9 C10 -179.23(16) C7 C8 C9 C10 1.0(3) C6 C5 C10 C9 0.4(2) N5 C5 C10 C9 178.51(15) C8 C9 C10 C5 -1.0(3) C2' C1 N1 Co1 13.3(8) C2 C1 N1 Co1 36.3(2) C1 C2' N2 Co1 -3.8(13) C1 C2 N2 Co1 38.2(3) C4 C3 N3 Co1 -32.55(17) C3 C4 N4 Co1 -43.33(17) C10 C5 N5 Co1 88.59(17) C6 C5 N5 Co1 -93.27(16) _cod_database_fobs_code 1550753