#------------------------------------------------------------------------------ #$Date: 2025-05-03 21:21:32 +0200 (Sat, 03 May 2025) $ #$Revision: 299526 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/34/2023445.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_2023445 loop_ _publ_author_name 'Shikhaliyev, Namiq Q.' 'Babazade, Aliyar A.' 'Atakishiyeva, Gulnar T.' 'Shikhaliyeva, Irada M.' 'Maharramov, Abel M.' 'Khrustalev, Victor N.' 'Atioğlu, Zeliha' 'Akkurt, Mehmet' 'Bhattarai, Ajaya' _publ_section_title ; Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2E)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2Z)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate. ; _journal_coeditor_code WM5749 _journal_issue 'Pt 4' _journal_name_full 'Acta crystallographica. Section E, Crystallographic communications' _journal_page_first 314 _journal_page_last 323 _journal_paper_doi 10.1107/S2056989025002051 _journal_volume 81 _journal_year 2025 _chemical_formula_iupac 'C17 H17 Br N2 O2' _chemical_formula_moiety 'C17 H17 Br N2 O2' _chemical_formula_sum 'C17 H17 Br N2 O2' _chemical_formula_weight 361.23 _chemical_name_systematic ; Methyl (Z)-2-(4-bromophenyl)-2-[2-(3,5-dimethylphenyl)hydrazin-1-ylidene]acetate ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2019/3 _cell_angle_alpha 83.480(9) _cell_angle_beta 73.266(7) _cell_angle_gamma 81.695(8) _cell_formula_units_Z 4 _cell_length_a 9.8859(9) _cell_length_b 12.3021(11) _cell_length_c 13.9790(12) _cell_measurement_reflns_used 1000 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 30.0 _cell_measurement_theta_min 1.8 _cell_volume 1606.4(3) _computing_cell_refinement ; iMosflm (Battye et al., 2011) ; _computing_data_collection ; Marccd (Doyle, 2011) ; _computing_data_reduction ; iMosflm (Battye et al., 2011) ; _computing_molecular_graphics ; ORTEP-3 for Windows (Farrugia, 2012) ; _computing_publication_material ; PLATON (Spek, 2020) ; _computing_structure_refinement ; SHELXL (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.990 _diffrn_measured_fraction_theta_max 0.971 _diffrn_measurement_device_type 'Rayonix SX165 CCD' _diffrn_measurement_method '/f scan' _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.75270 _diffrn_reflns_av_R_equivalents 0.0358 _diffrn_reflns_av_unetI/netI 0.0366 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 21921 _diffrn_reflns_theta_full 26.848 _diffrn_reflns_theta_max 31.072 _diffrn_reflns_theta_min 1.777 _exptl_absorpt_coefficient_mu 2.967 _exptl_absorpt_correction_T_max 0.789 _exptl_absorpt_correction_T_min 0.666 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (Scala; Evans, 2006) ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.494 _exptl_crystal_description prism _exptl_crystal_F_000 736 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.090 _exptl_crystal_size_min 0.070 _refine_diff_density_max 1.887 _refine_diff_density_min -0.942 _refine_ls_extinction_coef 0.044(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method ; SHELXL-2019/2 (Sheldrick, 2015a) ; _refine_ls_goodness_of_fit_ref 1.074 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 410 _refine_ls_number_reflns 8417 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.074 _refine_ls_R_factor_all 0.0842 _refine_ls_R_factor_gt 0.0636 _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^)+(0.1079P)^2^+1.6265P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1715 _refine_ls_wR_factor_ref 0.1902 _reflns_number_gt 6338 _reflns_number_total 8417 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file wm5749.cif _cod_data_source_block 2 _cod_depositor_comments 'Adding full bibliography for 2023444--2023448.cif.' _cod_database_code 2023445 _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 0.717 _shelx_estimated_absorpt_t_max 0.819 _shelx_hkl_file ; 0 0 2 125.60 2.09 0 0 2 124.50 2.02 0 0 4 1.93 1.20 0 0 4 0.78 1.09 0 0 5 375.90 5.63 0 0 5 371.30 5.56 0 0 6 19.63 1.24 0 0 6 19.55 1.21 0 0 7 699.70 9.98 0 0 7 676.00 9.73 0 0 8 86.19 2.03 0 0 8 92.36 2.11 0 0 9 18.42 1.34 0 0 9 21.58 1.32 0 0 10 278.50 4.47 0 0 10 289.00 4.64 0 0 11 44.05 1.71 0 0 11 42.97 1.70 0 0 12 124.00 2.66 0 0 12 125.90 2.66 0 0 13 68.42 1.89 0 0 13 69.70 2.02 0 0 14 1.95 1.37 0 0 14 -1.36 1.34 0 0 15 40.98 1.60 0 0 15 40.94 1.72 0 0 16 0.85 1.24 0 0 16 2.51 1.34 0 0 17 17.82 1.23 0 0 17 18.18 1.41 0 0 18 23.95 1.29 0 0 18 23.95 1.35 0 -1 18 -1.25 1.17 0 -1 18 0.16 1.12 0 -1 17 38.22 1.55 0 -1 17 43.04 1.47 0 -1 16 20.33 1.47 0 -1 16 18.85 1.41 0 -1 15 23.45 1.54 0 -1 15 22.72 1.48 0 -1 14 114.80 2.58 0 -1 14 113.80 2.44 0 -1 13 7.36 1.49 0 -1 13 8.15 1.34 0 -1 12 95.58 2.36 0 -1 12 95.89 2.37 0 -1 11 57.40 1.85 0 -1 11 58.39 1.87 0 -1 10 252.60 4.19 0 -1 10 241.60 4.02 0 -1 9 26.75 1.38 0 -1 9 28.99 1.42 0 -1 8 187.30 3.28 0 -1 8 190.00 3.29 0 -1 7 580.20 8.43 0 -1 7 565.80 8.22 0 -1 6 4.37 1.15 0 -1 6 3.98 1.09 0 -1 5 859.40 12.14 0 1 -5 869.30 12.29 0 -1 4 334.70 5.12 0 1 -4 328.70 5.03 0 -1 3 5.95 1.26 0 1 -3 7.96 1.24 0 -1 2 295.20 4.35 0 1 -2 297.90 4.38 0 1 0 108.10 1.61 0 -1 -1 128.20 1.92 0 -1 -2 157.10 2.46 0 1 2 158.00 2.45 0 -1 -3 153.40 2.64 0 1 3 157.00 2.61 0 -1 -4 1.72 1.15 0 1 4 1.28 0.98 0 -1 -5 1165.00 16.17 0 -1 -6 33.84 1.29 0 1 6 38.50 1.52 0 1 6 37.19 1.44 0 1 7 223.30 3.71 0 1 7 225.10 3.70 0 1 8 552.30 8.07 0 1 8 553.00 8.10 0 1 9 3.61 1.16 0 1 9 1.50 1.11 0 1 10 251.90 4.16 0 1 10 242.60 4.04 0 1 11 97.39 2.22 0 1 11 97.94 2.28 0 1 12 6.24 1.34 0 1 12 6.03 1.32 0 1 13 97.09 2.32 0 1 13 104.70 2.41 0 1 14 4.80 1.33 0 1 14 4.07 1.47 0 1 15 58.24 1.75 0 1 15 63.67 1.92 0 1 16 3.90 1.27 0 1 16 5.37 1.31 0 1 17 20.85 1.25 0 1 17 20.57 1.37 0 1 18 23.31 1.18 0 1 18 25.23 1.34 0 -2 17 12.74 1.29 0 -2 17 14.55 1.30 0 -2 16 -0.33 1.31 0 -2 16 0.31 1.18 0 -2 15 139.70 2.86 0 -2 15 142.10 2.88 0 -2 14 54.58 1.91 0 -2 14 50.48 1.73 0 -2 13 42.27 1.76 0 -2 13 43.71 1.80 0 -2 12 108.90 2.52 0 -2 12 113.40 2.55 0 -2 11 54.70 1.90 0 -2 11 51.00 1.80 0 -2 10 180.10 3.28 0 -2 10 183.70 3.28 0 -2 9 370.10 5.73 0 -2 9 366.80 5.62 0 -2 8 61.17 1.68 0 -2 8 63.31 1.84 0 -2 7 122.10 2.46 0 2 -7 125.20 2.52 0 -2 6 84.37 1.92 0 2 -6 81.88 1.95 0 -2 5 179.90 3.12 0 2 -5 175.50 3.04 0 -2 4 283.20 4.42 0 2 -4 287.20 4.49 0 -2 3 1.31 1.18 0 2 -3 1.88 1.26 0 -2 1 252.00 3.77 0 2 -1 248.40 3.73 0 -2 0 56.65 1.22 0 2 0 54.22 1.16 0 -2 -2 20.25 1.00 0 2 2 20.21 0.96 0 -2 -4 283.20 4.35 0 2 4 288.90 4.42 0 -2 -5 670.80 9.53 0 2 5 699.10 9.89 0 -2 -6 120.10 2.33 0 2 6 114.10 2.21 0 -2 -7 341.60 5.22 0 2 7 333.20 5.10 0 -2 -8 345.70 5.29 0 2 8 337.10 5.18 0 2 9 117.50 2.37 0 2 9 113.30 2.32 0 2 10 117.40 2.39 0 2 10 119.90 2.44 0 2 11 184.90 3.34 0 2 11 183.60 3.26 0 2 12 32.61 1.59 0 2 12 35.11 1.58 0 2 13 194.30 3.48 0 2 13 196.70 3.51 0 2 14 18.77 1.40 0 2 14 21.16 1.48 0 2 15 69.19 1.82 0 2 15 66.47 1.90 0 2 16 77.79 1.93 0 2 16 79.74 2.08 0 2 17 5.20 1.16 0 2 17 5.57 1.29 0 2 18 19.23 1.33 0 2 18 19.22 1.20 0 -3 17 6.31 1.20 0 -3 17 6.29 1.14 0 -3 16 15.44 1.45 0 -3 16 17.75 1.54 0 -3 15 -2.26 1.34 0 -3 15 -1.33 1.37 0 -3 14 4.12 1.34 0 -3 14 1.60 1.34 0 -3 13 240.70 4.10 0 -3 13 233.50 4.05 0 -3 12 79.42 2.15 0 -3 12 84.56 2.19 0 -3 11 11.30 1.47 0 -3 11 10.49 1.46 0 -3 10 15.79 1.49 0 -3 10 15.34 1.43 0 -3 9 190.50 3.41 0 3 -9 184.80 3.32 0 -3 8 23.54 1.37 0 3 -8 19.99 1.33 0 -3 7 220.50 3.67 0 3 -7 222.80 3.76 0 -3 6 225.60 3.81 0 3 -6 231.40 3.83 0 -3 5 246.30 3.99 0 3 -5 244.60 3.97 0 -3 4 237.80 3.88 0 3 -4 243.10 3.96 0 -3 3 43.50 1.48 0 3 -3 43.29 1.50 0 -3 0 53.79 1.42 0 3 0 54.02 1.46 0 3 0 54.02 4.67 0 -3 -1 149.00 2.54 0 3 1 146.60 2.50 0 -3 -1 156.90 13.57 0 -3 -2 38.64 1.23 0 3 2 38.84 1.26 0 -3 -3 361.60 5.37 0 3 3 349.30 5.18 0 -3 -4 127.10 2.29 0 3 4 126.60 2.28 0 -3 -5 376.20 5.63 0 3 5 364.40 5.42 0 -3 -7 10.50 1.09 0 3 7 11.39 1.08 0 -3 -8 435.30 6.43 0 3 8 438.10 6.53 0 -3 -9 131.00 2.58 0 3 9 119.40 2.38 0 -3 -10 55.18 1.72 0 3 10 52.88 1.68 0 3 11 124.30 2.64 0 3 11 125.40 2.59 0 3 12 15.43 1.32 0 3 12 17.91 1.52 0 3 13 20.71 1.42 0 3 13 19.48 1.48 0 3 14 65.56 1.85 0 3 14 61.28 1.88 0 3 15 26.98 1.38 0 3 15 27.44 1.54 0 3 17 3.62 1.12 0 3 17 4.26 1.26 0 3 18 18.39 1.40 0 3 18 19.20 1.37 0 -4 17 1.71 1.01 0 -4 17 3.60 1.14 0 -4 16 9.90 1.34 0 -4 16 11.64 1.38 0 -4 15 2.74 1.28 0 -4 15 4.59 1.41 0 -4 14 82.04 2.15 0 -4 14 83.76 2.12 0 -4 13 30.95 1.59 0 -4 13 27.82 1.54 0 -4 12 190.30 3.46 0 -4 12 186.60 3.46 0 -4 11 146.70 2.99 0 -4 11 145.70 3.00 0 -4 10 15.60 1.50 0 4 -10 18.28 1.56 0 -4 9 146.70 2.88 0 4 -9 146.40 2.85 0 -4 8 283.00 4.56 0 4 -8 290.00 4.63 0 -4 7 97.88 2.17 0 4 -7 100.30 2.25 0 -4 6 478.00 7.11 0 4 -6 473.30 7.06 0 -4 5 47.47 1.60 0 4 -5 48.56 1.60 0 -4 4 465.40 6.84 0 4 -4 465.50 6.86 0 -4 3 135.30 2.49 0 4 -3 132.50 2.52 0 -4 2 370.70 5.51 0 4 -2 378.00 5.66 0 -4 1 498.30 7.19 0 4 -1 483.10 7.03 0 -4 0 4.23 0.90 0 4 0 3.28 1.00 0 4 0 2.88 0.29 0 4 1 651.20 9.23 0 -4 -2 162.60 2.73 0 4 2 157.10 2.65 0 -4 -2 172.10 14.89 0 -4 -3 349.10 5.18 0 4 3 362.10 5.38 0 -4 -4 320.90 4.87 0 4 4 320.70 4.83 0 -4 -5 53.23 1.46 0 4 5 55.16 1.48 0 -4 -6 157.60 2.70 0 4 6 148.70 2.64 0 -4 -7 54.15 1.57 0 4 7 55.30 1.53 0 -4 -8 30.25 1.33 0 4 8 28.89 1.28 0 -4 -9 238.60 4.02 0 4 9 231.30 3.83 0 -4 -10 6.32 1.22 0 4 10 6.03 1.16 0 -4 -11 180.10 3.35 0 4 11 175.70 3.24 0 4 12 250.60 4.16 0 4 12 248.80 4.18 0 4 13 85.10 2.12 0 4 13 86.94 2.20 0 4 14 211.20 3.66 0 4 14 218.30 3.78 0 4 15 4.62 1.27 0 4 15 4.09 1.34 0 4 16 45.73 1.53 0 4 16 48.17 1.75 0 4 17 11.95 1.17 0 4 17 12.46 1.35 0 -5 16 8.53 1.23 0 -5 16 9.65 1.31 0 -5 15 21.43 1.50 0 -5 15 22.93 1.47 0 -5 14 53.31 1.81 0 -5 14 48.33 1.73 0 -5 13 1.27 1.40 0 -5 13 2.19 1.30 0 -5 12 7.13 1.38 0 -5 12 3.34 1.40 0 -5 11 115.80 2.62 0 5 -11 115.90 2.61 0 -5 10 72.67 2.11 0 5 -10 70.33 2.08 0 -5 9 70.61 1.96 0 5 -9 71.72 2.10 0 -5 8 107.00 2.31 0 5 -8 102.40 2.30 0 -5 7 145.00 2.74 0 5 -7 143.10 2.80 0 -5 6 12.89 1.25 0 5 -6 12.15 1.31 0 -5 5 42.12 1.52 0 5 -5 41.94 1.54 0 -5 4 419.40 6.27 0 5 -4 412.80 6.18 0 -5 3 621.90 8.95 0 5 -3 628.90 9.06 0 -5 2 53.54 1.50 0 5 -2 52.77 1.52 0 -5 1 276.10 4.28 0 5 -1 270.30 4.24 0 -5 0 472.60 6.88 0 5 0 498.30 7.24 0 5 0 508.80 43.97 0 -5 -1 104.60 2.01 0 5 1 101.20 1.98 0 -5 -2 539.60 7.78 0 5 2 540.20 7.79 0 -5 -2 552.90 47.77 0 -5 -3 101.00 1.99 0 5 3 97.08 1.93 0 -5 -3 95.16 8.24 0 5 4 1214.00 16.87 0 -5 -4 1242.00 107.20 0 -5 -5 230.00 3.58 0 5 5 234.10 3.73 0 -5 -6 81.46 1.84 0 5 6 77.39 1.77 0 -5 -7 497.20 7.34 0 5 7 488.70 7.19 0 -5 -8 51.92 1.71 0 5 8 48.32 1.49 0 -5 -9 462.70 6.92 0 5 9 449.80 6.74 0 -5 -10 9.58 1.29 0 5 10 9.69 1.17 0 -5 -11 46.72 1.62 0 5 11 46.18 1.68 0 -5 -12 65.30 1.85 0 5 12 65.49 1.91 0 5 13 75.02 1.96 0 5 13 80.87 2.07 0 5 14 78.02 2.00 0 5 14 79.52 2.04 0 5 15 8.32 1.34 0 5 15 8.91 1.25 0 5 16 21.76 1.47 0 5 16 22.62 1.32 0 5 17 22.53 1.37 0 5 17 23.48 1.25 0 -6 16 8.63 1.31 0 -6 16 7.27 1.11 0 -6 15 19.32 1.51 0 -6 15 21.00 1.43 0 -6 14 0.93 1.29 0 -6 14 0.14 1.31 0 -6 13 54.22 1.77 0 -6 13 52.29 1.93 0 -6 12 9.28 1.42 0 6 -12 6.85 1.38 0 -6 11 67.38 2.09 0 6 -11 70.76 2.01 0 -6 10 121.50 2.67 0 6 -10 123.80 2.66 0 -6 9 15.63 1.45 0 6 -9 14.11 1.60 0 -6 8 123.40 2.58 0 6 -8 122.00 2.59 0 -6 7 116.30 2.40 0 6 -7 113.40 2.44 0 -6 6 137.90 2.71 0 6 -6 136.90 2.71 0 -6 5 224.40 3.81 0 6 -5 225.00 3.82 0 -6 4 139.20 2.69 0 6 -4 141.00 2.71 0 -6 3 779.40 11.17 0 6 -3 763.90 10.93 0 -6 2 32.82 1.31 0 6 -2 30.90 1.33 0 -6 1 931.30 13.05 0 6 -1 930.20 13.13 0 6 -1 1129.00 97.59 0 -6 0 48.83 1.39 0 6 0 45.91 1.43 0 6 0 46.10 3.99 0 -6 -1 44.55 1.29 0 6 1 43.55 1.36 0 -6 -2 600.10 8.51 0 6 2 613.10 8.83 0 -6 -3 10.69 0.84 0 6 3 11.61 1.00 0 -6 -3 10.65 0.94 0 -6 -4 347.90 5.20 0 6 4 352.40 5.33 0 -6 -4 326.50 28.21 0 -6 -5 272.10 4.29 0 6 5 280.80 4.40 0 -6 -5 266.40 23.02 0 -6 -6 87.13 1.95 0 6 6 90.34 1.95 0 -6 -6 92.64 8.02 0 -6 -7 178.20 3.16 0 6 7 166.60 2.94 0 -6 -8 6.81 1.18 0 6 8 7.52 1.11 0 -6 -9 242.80 4.03 0 6 9 233.40 3.88 0 -6 -10 196.00 3.36 0 6 10 193.00 3.45 0 -6 -11 44.43 1.57 0 6 11 44.10 1.70 0 -6 -12 233.00 3.90 0 6 12 229.00 3.90 0 -6 -13 9.26 1.33 0 6 13 9.68 1.36 0 6 14 89.16 2.12 0 6 14 84.73 2.10 0 6 15 86.76 2.14 0 6 15 89.65 2.09 0 6 16 1.47 1.09 0 6 16 0.12 1.25 0 6 17 63.54 1.66 0 6 17 66.38 1.86 0 -6 -17 64.77 5.65 0 -7 15 23.72 1.54 0 -7 15 22.21 1.40 0 -7 14 3.58 1.44 0 -7 14 1.69 1.27 0 -7 13 56.30 1.82 0 7 -13 54.62 1.82 0 -7 12 27.52 1.62 0 7 -12 26.90 1.60 0 -7 11 6.21 1.47 0 7 -11 5.96 1.40 0 -7 10 57.67 1.86 0 7 -10 53.04 1.83 0 -7 9 1.53 1.36 0 7 -9 -0.13 1.35 0 -7 8 55.61 1.88 0 7 -8 55.63 1.92 0 -7 7 26.44 1.59 0 7 -7 29.41 1.54 0 -7 6 353.30 5.54 0 7 -6 348.20 5.41 0 -7 5 321.80 5.08 0 7 -5 311.40 4.94 0 -7 4 32.82 1.41 0 7 -4 34.91 1.47 0 -7 3 95.21 2.07 0 7 -3 95.89 2.18 0 -7 2 93.38 1.99 0 7 -2 92.92 2.08 0 -7 1 23.91 1.19 0 7 -1 25.56 1.31 0 7 -1 21.33 1.86 0 -7 0 129.20 2.36 0 7 0 132.00 2.50 0 7 0 123.80 10.71 0 -7 -1 0.03 0.85 0 7 1 -0.82 1.02 0 -7 -2 507.30 7.40 0 7 2 504.50 7.39 0 -7 -3 37.55 1.33 0 7 3 35.03 1.31 0 -7 -3 31.30 2.71 0 -7 -4 230.20 3.76 0 7 4 226.20 3.66 0 -7 -4 219.90 18.98 0 -7 -5 282.60 4.43 0 7 5 284.70 4.47 0 -7 -5 290.70 25.12 0 -7 -6 3.14 1.05 0 7 6 3.52 1.02 0 -7 -6 3.01 0.40 0 -7 -7 348.80 5.41 0 7 7 348.40 5.37 0 -7 -7 364.70 31.53 0 -7 -8 56.51 1.67 0 7 8 55.89 1.62 0 -7 -8 55.97 4.87 0 -7 -9 18.23 1.16 0 7 9 20.80 1.41 0 -7 -9 17.89 1.62 0 -7 -10 110.50 2.31 0 7 10 110.30 2.42 0 -7 -11 3.79 1.20 0 7 11 3.64 1.25 0 -7 -12 105.90 2.29 0 7 12 110.80 2.39 0 -7 -13 23.41 1.53 0 7 13 23.19 1.47 0 -7 -14 32.89 1.55 0 7 14 32.08 1.65 0 7 15 37.59 1.54 0 7 15 36.47 1.69 0 -7 -15 37.14 3.28 0 7 16 2.04 1.10 0 7 16 2.43 1.36 0 -7 -16 1.22 0.58 0 7 17 72.90 1.81 0 7 17 74.05 1.88 0 -7 -17 78.47 6.83 0 -8 15 3.87 1.20 0 -8 15 4.40 1.17 0 -8 14 -0.80 1.24 0 -8 14 0.68 1.33 0 -8 13 8.73 1.41 0 8 -13 10.43 1.41 0 -8 12 52.14 1.81 0 8 -12 47.96 1.70 0 -8 11 -0.01 1.33 0 8 -11 1.71 1.33 0 -8 10 69.78 1.94 0 8 -10 70.89 2.02 0 -8 9 34.94 1.67 0 8 -9 35.38 1.58 0 -8 8 44.24 1.78 0 8 -8 36.97 1.62 0 -8 7 31.46 1.65 0 8 -7 31.17 1.62 0 -8 6 1.84 1.33 0 8 -6 1.54 1.26 0 -8 5 276.80 4.51 0 8 -5 263.60 4.32 0 -8 4 83.02 1.93 0 8 -4 80.00 1.96 0 -8 3 185.80 3.18 0 8 -3 183.60 3.24 0 -8 2 112.90 2.27 0 8 -2 116.30 2.38 0 8 -2 103.90 8.98 0 -8 1 0.45 1.00 0 8 -1 2.77 1.11 0 8 -1 -0.55 0.18 0 -8 0 806.50 11.48 0 8 0 802.30 11.43 0 8 0 844.90 73.04 0 -8 -1 14.09 1.05 0 8 1 14.88 1.16 0 -8 -2 285.60 4.49 0 8 2 282.50 4.49 0 -8 -3 347.10 5.33 0 8 3 350.40 5.37 0 -8 -4 21.13 1.22 0 8 4 22.87 1.22 0 -8 -4 19.58 1.70 0 -8 -5 227.60 3.78 0 8 5 220.50 3.67 0 -8 -5 212.60 18.37 0 -8 -6 438.10 6.56 0 8 6 442.00 6.66 0 -8 -6 451.70 39.05 0 -8 -7 265.80 4.25 0 8 7 256.90 4.17 0 -8 -7 258.00 22.30 0 -8 -8 92.68 1.99 0 8 8 92.70 2.13 0 -8 -8 95.53 8.27 0 -8 -9 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105.50 2.24 2 -8 -1 102.90 2.13 -2 8 1 104.10 9.01 -2 8 0 167.50 3.08 2 -8 0 157.20 2.80 -2 8 0 169.50 14.65 -2 8 -1 4.19 1.14 2 -8 1 2.59 0.94 -2 8 -1 3.49 0.39 -2 8 -2 217.70 3.71 2 -8 2 207.00 3.45 -2 8 -2 224.50 19.42 -2 8 -3 0.75 1.20 2 -8 3 1.75 1.06 -2 8 -3 1.87 0.32 -2 8 -4 59.61 1.81 2 -8 4 55.92 1.67 -2 8 -4 56.93 4.94 -2 8 -5 22.57 1.52 2 -8 5 23.01 1.42 -2 8 -5 23.08 2.03 -2 8 -6 59.04 1.85 2 -8 6 59.52 1.87 -2 8 -6 56.75 4.93 -2 8 -7 196.50 3.55 2 -8 7 196.10 3.58 -2 8 -8 57.34 1.90 2 -8 8 60.85 1.93 -2 8 -9 5.19 1.39 2 -8 9 2.86 1.35 -2 8 -10 47.92 1.71 2 -8 10 47.42 1.76 -2 8 -11 1.53 1.28 2 -8 11 1.65 1.40 -2 8 -12 6.22 1.33 2 -8 12 8.49 1.37 -2 8 -13 1.26 1.26 2 -8 13 0.79 1.35 -2 8 -14 12.18 1.35 2 -8 14 13.04 1.44 -2 8 -15 2.52 1.17 2 -8 15 4.56 1.25 -2 7 15 27.85 1.28 -2 7 15 26.92 1.47 2 -7 -15 26.65 1.32 2 -7 -15 26.25 2.36 -2 7 14 9.71 1.37 2 -7 -14 10.04 1.24 2 -7 -14 6.05 0.75 -2 7 13 63.23 1.86 2 -7 -13 66.16 1.83 2 -7 -13 70.66 6.15 -2 7 12 121.20 2.55 2 -7 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7 202.40 3.48 2 -6 -7 213.90 3.68 2 -6 -7 196.30 16.97 -2 6 6 43.36 1.47 2 -6 -6 44.62 1.52 2 -6 -6 43.69 3.80 -2 6 5 230.50 3.84 2 -6 -5 222.00 3.74 2 -6 -5 239.60 20.72 -2 6 4 270.90 4.32 2 -6 -4 273.80 4.33 2 -6 -4 293.50 25.36 -2 6 3 144.60 2.69 2 -6 -3 145.00 2.60 2 -6 -3 150.60 13.02 -2 6 2 562.20 8.21 2 -6 -2 546.50 7.91 -2 6 2 618.10 53.34 2 -6 -2 598.80 51.74 -2 6 1 24.03 1.21 2 -6 -1 26.94 1.19 -2 6 1 23.11 2.02 2 -6 -1 24.02 2.10 -2 6 0 192.70 3.28 2 -6 0 192.10 3.27 -2 6 0 195.90 16.94 2 -6 0 184.70 15.97 -2 6 -1 47.89 1.51 2 -6 1 50.42 1.52 -2 6 -1 52.31 4.53 -2 6 -2 125.30 2.47 2 -6 2 128.50 2.48 -2 6 -2 127.00 10.98 -2 6 -3 311.90 4.92 2 -6 3 305.40 4.74 -2 6 -3 336.60 29.09 -2 6 -4 73.28 1.93 2 -6 4 69.71 1.76 -2 6 -4 68.20 5.90 -2 6 -5 421.60 6.38 2 -6 5 417.30 6.31 -2 6 -6 114.60 2.36 2 -6 6 116.70 2.37 -2 6 -7 2.28 1.21 2 -6 7 -1.49 1.19 -2 6 -8 87.15 2.18 2 -6 8 80.07 2.02 -2 6 -9 9.07 1.41 2 -6 9 9.30 1.44 -2 6 -10 11.08 1.45 2 -6 10 10.22 1.50 -2 6 -11 14.66 1.52 2 -6 11 14.93 1.48 -2 6 -12 16.76 1.46 2 -6 12 16.29 1.46 -2 6 -13 35.35 1.64 2 -6 13 37.11 1.84 -2 6 -14 0.60 1.29 2 -6 14 0.51 1.35 2 -6 15 16.73 1.48 2 -6 15 16.88 1.45 2 -6 16 2.81 1.33 2 -6 16 0.73 1.22 -2 5 16 13.73 1.22 -2 5 16 13.15 1.28 2 -5 -16 10.68 1.08 -2 5 15 13.75 1.35 -2 5 15 13.66 1.31 2 -5 -15 12.82 1.27 -2 5 14 76.80 2.06 -2 5 14 76.34 1.97 2 -5 -14 78.55 6.83 -2 5 13 4.87 1.37 2 -5 -13 3.45 1.25 2 -5 -13 5.22 0.71 -2 5 12 119.20 2.58 2 -5 -12 124.90 2.61 2 -5 -12 122.10 10.59 -2 5 11 133.20 2.74 2 -5 -11 136.30 2.73 2 -5 -11 131.10 11.34 -2 5 10 124.80 2.64 2 -5 -10 119.20 2.59 2 -5 -10 129.90 11.24 -2 5 9 246.00 4.16 2 -5 -9 246.00 4.18 2 -5 -9 227.60 19.69 -2 5 8 15.44 1.26 2 -5 -8 18.00 1.31 2 -5 -8 15.27 1.39 -2 5 7 353.60 5.47 2 -5 -7 359.60 5.54 2 -5 -7 350.10 30.26 -2 5 6 22.96 1.29 2 -5 -6 21.28 1.27 2 -5 -6 20.07 1.79 -2 5 5 259.10 4.17 2 -5 -5 257.50 4.11 2 -5 -5 267.20 23.08 -2 5 4 5.70 0.99 2 -5 -4 7.01 1.00 2 -5 -4 4.76 0.50 -2 5 3 6.85 0.97 2 -5 -3 10.82 1.04 2 -5 -3 8.63 0.80 -2 5 2 551.50 8.02 2 -5 -2 549.60 8.01 -2 5 2 574.90 49.69 2 -5 -2 613.30 53.01 -2 5 1 80.04 1.84 2 -5 -1 76.85 1.75 -2 5 1 79.72 6.91 2 -5 -1 76.66 6.65 -2 5 0 143.10 2.60 2 -5 0 145.30 2.57 -2 5 0 152.20 13.17 2 -5 0 139.40 12.06 -2 5 -1 307.40 4.77 2 -5 1 307.10 4.70 -2 5 -1 336.40 29.08 -2 5 -2 58.27 1.60 2 -5 2 59.94 1.56 -2 5 -2 57.07 4.95 -2 5 -3 214.70 3.59 2 -5 3 216.00 3.53 -2 5 -3 218.50 18.88 -2 5 -4 121.50 2.46 2 -5 4 120.60 2.39 -2 5 -4 128.20 11.07 -2 5 -5 151.20 2.82 2 -5 5 151.20 2.75 -2 5 -6 226.50 3.78 2 -5 6 242.10 4.01 -2 5 -7 8.46 1.24 2 -5 7 8.10 1.19 -2 5 -8 107.10 2.37 2 -5 8 107.20 2.32 -2 5 -9 16.63 1.47 2 -5 9 14.11 1.35 -2 5 -10 74.72 2.11 2 -5 10 75.23 2.15 -2 5 -11 86.76 2.20 2 -5 11 89.19 2.23 -2 5 -12 5.62 1.34 2 -5 12 5.79 1.37 -2 5 -13 137.30 2.82 2 -5 13 131.50 2.80 2 -5 14 0.69 1.24 2 -5 14 0.94 1.27 2 -5 15 4.00 1.42 2 -5 15 5.64 1.44 2 -5 16 69.30 1.91 2 -5 16 70.23 1.93 2 -5 17 0.56 1.08 2 -5 17 -0.99 1.27 -2 4 16 13.49 1.32 -2 4 16 12.84 1.20 2 -4 -16 10.42 1.06 -2 4 15 18.50 1.38 -2 4 15 17.73 1.38 2 -4 -15 18.24 1.68 -2 4 14 64.13 1.86 -2 4 14 66.78 1.99 2 -4 -14 65.46 5.70 -2 4 13 14.35 1.36 -2 4 13 16.62 1.41 2 -4 -13 15.68 1.47 -2 4 12 45.71 1.70 2 -4 -12 43.07 1.72 2 -4 -12 45.15 3.95 -2 4 11 75.27 2.05 2 -4 -11 77.34 2.14 2 -4 -11 71.08 6.19 -2 4 10 57.09 1.83 2 -4 -10 55.87 1.80 2 -4 -10 59.19 5.15 -2 4 9 92.82 2.21 2 -4 -9 93.20 2.26 2 -4 -9 96.54 8.38 -2 4 8 29.71 1.39 2 -4 -8 29.72 1.41 2 -4 -8 28.91 2.55 -2 4 7 74.13 1.83 2 -4 -7 73.74 1.87 2 -4 -7 78.88 6.83 -2 4 6 182.50 3.16 2 -4 -6 185.80 3.18 2 -4 -6 190.30 16.45 -2 4 5 3.14 0.99 2 -4 -5 3.09 1.02 2 -4 -5 3.00 0.42 -2 4 4 1023.00 14.38 2 -4 -4 1018.00 14.30 2 -4 -4 1079.00 93.36 -2 4 3 200.00 3.33 2 -4 -3 188.60 3.17 2 -4 -3 197.10 17.03 -2 4 2 112.60 2.14 2 -4 -2 127.50 2.35 -2 4 2 127.80 11.06 2 -4 -2 132.50 11.46 -2 4 1 111.80 2.17 2 -4 -1 117.30 2.21 -2 4 1 122.30 10.59 2 -4 -1 116.10 10.05 -2 4 0 15.73 1.09 2 -4 0 15.34 0.99 -2 4 0 13.87 1.23 2 -4 0 15.11 1.33 -2 4 -1 86.45 1.90 2 -4 1 85.16 1.81 -2 4 -1 83.20 7.20 2 -4 1 81.76 7.08 -2 4 -2 56.98 1.59 2 -4 2 56.92 1.50 -2 4 -2 57.42 4.98 -2 4 -3 487.40 7.15 2 -4 3 489.50 7.15 -2 4 -3 523.20 45.22 -2 4 -4 95.08 2.06 2 -4 4 93.10 1.96 -2 4 -5 3.33 1.11 2 -4 5 2.92 1.14 -2 4 -6 297.20 4.67 2 -4 6 296.90 4.69 -2 4 -7 8.31 1.18 2 -4 7 6.48 1.16 -2 4 -8 93.87 2.16 2 -4 8 90.04 2.08 -2 4 -9 83.76 2.12 2 -4 9 84.03 2.05 -2 4 -10 9.56 1.51 2 -4 10 7.77 1.40 -2 4 -11 84.93 2.29 2 -4 11 83.44 2.19 -2 4 -12 1.69 1.30 2 -4 12 2.52 1.41 -2 4 -13 42.23 1.64 2 -4 13 43.72 1.75 2 -4 14 6.07 1.41 2 -4 14 5.92 1.29 2 -4 15 13.56 1.41 2 -4 15 10.83 1.35 2 -4 16 32.11 1.53 2 -4 16 33.20 1.60 2 -4 17 9.43 1.27 2 -4 17 9.63 1.28 -2 3 17 1.96 1.19 -2 3 17 1.19 1.14 2 -3 -17 -0.28 0.48 -2 3 16 41.66 1.55 -2 3 16 41.44 1.46 2 -3 -16 42.09 3.69 -2 3 15 0.46 1.24 -2 3 15 1.51 1.15 2 -3 -15 0.24 0.54 -2 3 14 82.26 2.14 -2 3 14 81.23 2.03 2 -3 -14 90.72 7.86 -2 3 13 67.62 1.96 -2 3 13 69.10 2.05 2 -3 -13 63.45 5.52 -2 3 12 35.60 1.67 -2 3 12 36.63 1.70 2 -3 -12 32.02 2.83 -2 3 11 165.00 3.16 2 -3 -11 155.20 3.08 -2 3 10 37.59 1.68 2 -3 -10 39.07 1.73 -2 3 9 233.10 3.98 2 -3 -9 219.70 3.72 2 -3 -9 200.40 17.33 -2 3 8 91.75 2.12 2 -3 -8 89.02 1.98 2 -3 -8 89.30 7.72 -2 3 7 75.71 1.87 2 -3 -7 82.81 1.93 2 -3 -7 84.94 7.39 -2 3 6 100.70 2.13 2 -3 -6 99.87 2.09 2 -3 -6 104.30 9.05 -2 3 5 6.94 1.04 2 -3 -5 6.52 1.12 2 -3 -5 5.83 0.62 2 -3 -4 1378.00 119.20 -2 3 3 20.58 1.10 2 -3 -3 20.32 1.12 2 -3 -3 19.62 1.73 -2 3 2 68.20 1.60 2 -3 -2 66.53 1.57 -2 3 2 63.79 5.52 2 -3 -2 66.31 5.72 -2 3 1 634.10 9.05 -2 3 1 717.40 61.88 -2 3 0 111.70 2.12 2 -3 0 112.90 2.12 -2 3 0 117.70 10.19 2 -3 0 117.40 10.16 -2 3 -4 323.10 4.91 2 -3 4 325.30 4.97 -2 3 -5 85.50 1.96 2 -3 5 83.79 1.87 -2 3 -6 437.20 6.49 2 -3 6 430.40 6.43 -2 3 -7 100.90 2.23 2 -3 7 94.91 2.10 -2 3 -8 61.99 1.75 2 -3 8 64.54 1.80 -2 3 -9 84.64 2.07 2 -3 9 81.72 1.97 -2 3 -10 19.76 1.36 2 -3 10 21.46 1.40 -2 3 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1.22 -2 2 2 28.19 2.47 2 -2 -2 30.01 2.62 -2 2 1 409.20 6.01 2 -2 -1 397.70 5.86 -2 2 1 429.60 37.14 2 -2 -1 416.10 35.94 -2 2 0 33.08 1.19 2 -2 0 34.04 1.22 -2 2 0 31.80 2.77 2 -2 0 33.05 2.88 -2 2 -3 155.60 2.71 2 -2 3 156.80 2.67 -2 2 -3 166.80 14.43 -2 2 -4 183.10 3.06 2 -2 4 185.10 3.06 -2 2 -5 4.50 1.04 2 -2 5 4.52 1.09 -2 2 -6 273.30 4.33 2 -2 6 274.90 4.30 -2 2 -7 236.80 3.85 2 -2 7 237.80 3.92 -2 2 -8 7.56 1.18 2 -2 8 4.76 1.25 -2 2 -9 116.70 2.38 2 -2 9 113.70 2.35 -2 2 -10 88.43 2.11 2 -2 10 94.72 2.15 2 -2 11 98.72 2.30 2 -2 11 102.70 2.41 2 -2 12 46.02 1.79 2 -2 12 46.64 1.78 2 -2 13 3.03 1.29 2 -2 13 2.82 1.36 2 -2 14 39.88 1.63 2 -2 14 37.57 1.66 2 -2 15 0.42 1.19 2 -2 15 0.99 1.42 2 -2 16 46.00 1.77 2 -2 16 48.99 1.75 2 -2 18 3.00 1.14 2 -2 18 0.71 1.08 -2 1 17 0.66 1.21 -2 1 17 0.31 0.92 2 -1 -17 -0.98 0.52 -2 1 16 30.04 1.45 -2 1 16 30.11 1.44 2 -1 -16 27.61 2.45 -2 1 15 36.83 1.60 -2 1 15 35.04 1.57 -2 1 14 18.59 1.43 -2 1 14 19.63 1.41 -2 1 13 130.80 2.78 -2 1 13 129.50 2.63 -2 1 12 1.33 1.39 -2 1 12 2.01 1.23 -2 1 11 116.90 2.58 -2 1 11 115.80 2.57 -2 1 10 42.31 1.68 -2 1 10 43.04 1.61 -2 1 9 114.60 2.44 -2 1 9 119.90 2.49 -2 1 8 228.10 3.86 -2 1 8 238.50 3.96 2 -1 -8 225.80 3.76 -2 1 7 112.30 2.32 2 -1 -7 112.30 2.30 -2 1 6 282.50 4.50 2 -1 -6 280.60 4.46 -2 1 5 171.60 2.96 2 -1 -5 174.30 2.97 -2 1 4 2.52 0.98 2 -1 -4 2.04 1.18 2 -1 -4 0.91 0.34 -2 1 3 158.50 2.70 2 -1 -3 148.70 2.62 2 -1 -3 160.40 13.88 -2 1 2 73.12 1.68 2 -1 -2 69.17 1.67 -2 1 2 70.94 6.16 2 -1 -2 68.79 5.97 -2 1 1 588.60 8.39 -2 1 1 627.80 54.34 -2 1 0 451.20 6.47 2 -1 0 479.70 6.86 -2 1 0 494.40 42.72 -2 1 -5 723.40 10.20 2 -1 5 702.50 9.96 -2 1 -6 25.02 1.29 2 -1 6 25.40 1.28 -2 1 -7 89.67 2.00 2 -1 7 85.74 1.90 -2 1 -8 2.29 1.05 2 -1 8 2.22 1.12 -2 1 -9 138.90 2.67 2 -1 9 142.20 2.66 2 -1 10 121.60 2.48 2 -1 10 123.50 2.58 2 -1 11 45.47 1.78 2 -1 11 45.84 1.60 2 -1 12 134.40 2.82 2 -1 12 131.10 2.67 2 -1 14 49.32 1.76 2 -1 14 52.87 1.84 2 -1 15 17.76 1.48 2 -1 15 18.83 1.51 2 -1 16 2.94 1.21 2 -1 16 1.79 1.40 2 -1 17 13.42 1.30 2 -1 17 12.87 1.38 2 -1 18 0.27 1.11 2 -1 18 1.67 1.25 -2 0 17 33.40 1.42 -2 0 17 34.07 1.34 2 0 -17 34.17 3.00 -2 0 16 27.16 1.43 -2 0 16 26.01 1.37 -2 0 15 32.23 1.52 -2 0 15 34.19 1.43 -2 0 14 16.62 1.46 -2 0 14 12.91 1.32 -2 0 13 6.60 1.34 -2 0 13 6.78 1.43 -2 0 12 84.07 2.17 -2 0 12 87.88 2.23 -2 0 11 20.11 1.51 -2 0 11 21.05 1.53 -2 0 10 197.00 3.52 -2 0 10 196.40 3.45 -2 0 9 9.54 1.21 -2 0 9 9.19 1.25 -2 0 8 94.12 2.07 -2 0 8 94.12 2.11 -2 0 7 142.20 2.74 -2 0 7 144.70 2.68 -2 0 6 279.30 4.47 -2 0 6 293.30 4.64 -2 0 5 698.10 9.94 2 0 -5 679.80 9.71 -2 0 4 1.97 1.03 2 0 -4 4.01 1.07 -2 0 3 714.20 10.13 2 0 -3 751.90 10.64 2 0 -3 761.20 65.67 -2 0 2 354.50 5.28 2 0 -2 346.20 5.19 2 0 -2 371.30 32.07 -2 0 1 251.30 3.81 2 0 -1 248.40 3.79 -2 0 1 253.70 21.93 2 0 -1 240.60 20.81 -2 0 0 7.17 0.68 2 0 0 7.31 0.73 -2 0 0 6.97 0.68 2 0 0 7.22 0.69 -2 0 -1 3.22 0.55 2 0 1 3.47 0.58 -2 0 -1 3.36 0.40 2 0 1 3.46 0.40 -2 0 -3 111.20 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2 12 13.48 1.45 2 2 13 36.41 1.59 2 2 13 33.84 1.68 2 2 14 36.01 1.66 2 2 14 35.92 1.65 2 2 15 68.62 2.00 2 2 15 61.86 1.89 2 2 16 1.48 1.22 2 2 16 1.40 1.29 2 2 17 5.32 1.35 2 2 17 4.78 1.16 -2 -3 16 8.32 1.22 -2 -3 16 6.16 1.15 -2 -3 14 54.30 1.86 -2 -3 14 52.59 1.69 -2 -3 13 1.38 1.40 -2 -3 13 0.81 1.30 -2 -3 12 21.64 1.58 -2 -3 12 19.99 1.44 -2 -3 11 139.20 2.80 -2 -3 11 138.60 2.89 -2 -3 10 184.80 3.45 -2 -3 10 184.60 3.42 -2 -3 9 216.90 3.81 -2 -3 9 212.80 3.76 -2 -3 8 -0.57 1.20 -2 -3 8 -1.03 1.22 -2 -3 7 183.50 3.26 -2 -3 7 180.30 3.21 -2 -3 6 153.80 2.83 -2 -3 6 150.10 2.79 -2 -3 5 4.55 1.15 2 3 -5 4.77 1.23 -2 -3 4 1038.00 14.54 2 3 -4 1045.00 14.65 -2 -3 3 1.99 0.99 2 3 -3 0.96 0.99 -2 -3 2 305.10 4.64 2 3 -2 308.90 4.67 2 3 -2 304.80 26.35 -2 -3 1 315.60 4.74 2 3 -1 309.40 4.64 2 3 -1 317.70 27.46 -2 -3 0 331.10 4.83 2 3 0 334.30 4.93 -2 -3 0 318.50 27.52 2 3 0 325.10 28.10 -2 -3 -2 267.10 3.90 2 3 2 266.30 3.90 -2 -3 -2 256.80 22.20 2 3 2 272.80 23.56 -2 -3 -3 556.20 7.84 2 3 3 570.20 8.06 -2 -3 -3 550.30 47.56 -2 -3 -4 60.83 1.27 2 3 4 63.94 1.30 -2 -3 -5 200.30 3.15 2 3 5 193.70 3.03 -2 -3 -6 254.10 3.91 2 3 6 256.20 3.94 -2 -3 -7 7.78 1.07 2 3 7 6.81 0.90 2 3 8 258.90 4.08 2 3 8 258.00 4.04 2 3 9 2.70 1.10 2 3 9 1.66 1.03 2 3 10 45.74 1.48 2 3 10 46.28 1.51 2 3 11 96.91 2.13 2 3 11 99.54 2.32 2 3 12 10.59 1.29 2 3 12 9.75 1.32 2 3 13 136.40 2.70 2 3 13 133.30 2.74 2 3 14 17.77 1.43 2 3 14 17.66 1.43 2 3 15 3.98 1.34 2 3 15 3.89 1.29 2 3 16 80.63 1.98 2 3 16 81.08 2.14 2 3 17 0.41 1.11 2 3 17 1.54 1.39 2 3 18 37.27 1.43 2 3 18 33.63 1.50 -2 -4 16 8.50 1.16 -2 -4 16 7.03 1.19 -2 -4 15 -1.50 1.32 -2 -4 15 -0.70 1.22 -2 -4 14 43.79 1.72 -2 -4 14 41.47 1.59 -2 -4 13 3.86 1.43 -2 -4 13 0.44 1.33 -2 -4 12 25.04 1.49 -2 -4 12 23.41 1.64 -2 -4 11 94.00 2.39 -2 -4 11 97.29 2.42 -2 -4 10 18.45 1.53 -2 -4 10 19.46 1.57 -2 -4 9 103.80 2.52 -2 -4 9 104.80 2.50 -2 -4 8 19.14 1.44 -2 -4 8 19.99 1.36 -2 -4 7 46.49 1.52 2 4 -7 46.21 1.57 -2 -4 6 95.47 2.04 2 4 -6 92.76 2.11 -2 -4 5 197.50 3.33 2 4 -5 195.40 3.33 -2 -4 4 668.40 9.50 2 4 -4 673.70 9.66 -2 -4 3 5.53 0.98 2 4 -3 6.41 1.11 -2 -4 2 122.30 2.25 2 4 -2 122.70 2.29 2 4 -2 120.80 10.45 -2 -4 1 49.15 1.31 2 4 -1 48.91 1.37 2 4 -1 45.57 3.95 -2 -4 0 3.00 0.83 2 4 0 2.13 0.87 2 4 0 1.47 0.27 -2 -4 -1 146.10 2.35 2 4 1 145.70 2.39 -2 -4 -1 150.60 13.03 2 4 1 142.20 12.29 -2 -4 -2 492.20 6.97 2 4 2 479.20 6.82 -2 -4 -2 478.90 41.37 2 4 2 505.50 43.70 -2 -4 -3 248.20 3.70 2 4 3 242.80 3.63 -2 -4 -3 235.40 20.34 -2 -4 -4 100.40 1.84 2 4 4 102.30 1.79 -2 -4 -5 52.34 1.29 2 4 5 52.30 1.24 -2 -4 -6 582.10 8.34 2 4 6 578.90 8.26 -2 -4 -7 151.40 2.58 2 4 7 159.40 2.73 -2 -4 -8 146.00 2.54 2 4 8 145.30 2.57 -2 -4 -9 286.10 4.48 2 4 9 289.80 4.53 2 4 10 1.54 1.03 2 4 10 1.76 1.01 2 4 11 90.44 2.07 2 4 11 89.32 2.11 2 4 12 3.89 1.22 2 4 12 1.47 1.38 2 4 13 131.90 2.68 2 4 13 130.50 2.68 2 4 14 36.24 1.53 2 4 14 32.00 1.66 2 4 15 16.85 1.47 2 4 15 15.39 1.44 2 4 16 65.06 1.83 2 4 16 60.31 1.90 2 4 17 0.31 1.17 2 4 17 0.89 1.30 2 4 18 14.63 1.35 2 4 18 16.27 1.20 -2 -5 16 3.30 1.10 -2 -5 16 2.89 1.08 -2 -5 15 3.75 1.25 -2 -5 15 3.92 1.21 -2 -5 14 10.32 1.53 -2 -5 14 8.79 1.27 -2 -5 13 8.52 1.42 -2 -5 13 7.43 1.38 -2 -5 12 22.29 1.59 -2 -5 12 22.91 1.41 -2 -5 11 37.52 1.76 -2 -5 11 39.10 1.77 -2 -5 10 25.00 1.64 -2 -5 10 25.56 1.65 -2 -5 9 99.16 2.40 -2 -5 9 104.90 2.42 -2 -5 8 107.10 2.34 2 5 -8 117.50 2.54 -2 -5 7 3.05 1.13 2 5 -7 3.66 1.20 -2 -5 6 199.80 3.42 2 5 -6 204.00 3.48 -2 -5 5 0.17 1.07 2 5 -5 1.24 1.12 -2 -5 4 36.79 1.40 2 5 -4 36.61 1.50 -2 -5 3 392.60 5.81 2 5 -3 389.70 5.84 -2 -5 2 69.53 1.64 2 5 -2 74.83 1.78 2 5 -2 68.00 5.88 -2 -5 1 642.30 9.14 2 5 -1 659.00 9.37 2 5 -1 669.60 57.74 -2 -5 0 13.02 0.90 2 5 0 12.46 0.92 2 5 0 11.33 1.01 2 5 1 1060.00 14.71 -2 -5 -2 727.40 10.23 2 5 2 733.80 10.30 -2 -5 -3 318.40 4.71 2 5 3 330.00 4.86 -2 -5 -3 308.50 26.65 -2 -5 -4 254.70 3.87 2 5 4 250.70 3.80 -2 -5 -4 242.60 20.97 -2 -5 -5 31.59 1.08 2 5 5 35.16 1.11 -2 -5 -6 261.00 4.03 2 5 6 267.50 4.10 -2 -5 -7 147.30 2.51 2 5 7 146.30 2.56 -2 -5 -8 48.07 1.41 2 5 8 47.11 1.36 -2 -5 -9 269.00 4.26 2 5 9 288.70 4.51 -2 -5 -10 9.23 1.31 2 5 10 9.66 1.11 -2 -5 -11 147.90 2.86 2 5 11 148.30 2.82 2 5 12 58.58 1.79 2 5 12 54.20 1.78 2 5 13 39.10 1.58 2 5 13 40.97 1.53 2 5 14 129.80 2.64 2 5 14 127.40 2.60 2 5 15 4.95 1.19 2 5 15 3.74 1.34 2 5 16 65.48 1.77 2 5 16 64.93 1.89 2 5 17 38.56 1.50 2 5 17 35.48 1.59 2 5 18 1.05 1.07 2 5 18 0.28 1.35 -2 -6 15 0.41 1.17 -2 -6 15 0.03 1.13 -2 -6 14 4.24 1.31 -2 -6 14 4.33 1.26 -2 -6 13 47.50 1.71 -2 -6 13 45.13 1.71 -2 -6 12 0.65 1.28 -2 -6 12 -0.78 1.34 -2 -6 11 88.93 2.27 -2 -6 11 96.19 2.33 -2 -6 10 35.20 1.60 -2 -6 10 33.82 1.72 -2 -6 9 22.07 1.50 2 6 -9 19.33 1.51 -2 -6 8 96.51 2.30 2 6 -8 98.30 2.38 -2 -6 7 3.97 1.29 2 6 -7 2.28 1.23 -2 -6 6 153.60 2.88 2 6 -6 150.80 2.81 -2 -6 5 65.08 1.86 2 6 -5 62.74 1.79 -2 -6 4 214.10 3.68 2 6 -4 206.80 3.49 -2 -6 3 260.70 4.23 2 6 -3 261.90 4.17 -2 -6 2 1.04 1.01 2 6 -2 0.36 1.02 2 6 -2 -0.24 0.29 -2 -6 1 209.40 3.44 2 6 -1 212.30 3.47 2 6 -1 210.70 18.20 -2 -6 0 262.90 4.11 2 6 0 271.20 4.21 2 6 0 253.20 21.89 -2 -6 -1 83.56 1.75 2 6 1 83.10 1.74 2 6 1 82.77 7.17 -2 -6 -2 26.26 1.01 2 6 2 26.22 1.08 -2 -6 -3 0.02 0.73 2 6 3 1.54 0.83 -2 -6 -3 0.16 0.12 -2 -6 -4 218.00 3.44 2 6 4 212.90 3.35 -2 -6 -4 195.00 16.84 -2 -6 -5 115.80 2.10 2 6 5 110.20 2.02 -2 -6 -5 98.07 8.49 -2 -6 -6 336.40 5.00 2 6 6 348.20 5.20 -2 -6 -7 290.20 4.48 2 6 7 287.60 4.43 -2 -6 -8 174.70 3.04 2 6 8 171.10 2.94 -2 -6 -9 64.04 1.77 2 6 9 57.16 1.58 -2 -6 -10 104.80 2.30 2 6 10 104.50 2.21 -2 -6 -11 111.90 2.39 2 6 11 117.10 2.41 -2 -6 -12 54.57 1.70 2 6 12 51.29 1.73 2 6 13 5.80 1.26 2 6 13 5.69 1.31 2 6 14 48.56 1.66 2 6 14 48.46 1.66 2 6 15 5.07 1.24 2 6 15 3.29 1.25 2 6 16 14.66 1.27 2 6 16 13.43 1.41 2 6 17 17.84 1.30 2 6 17 15.28 1.47 2 6 18 5.48 1.11 2 6 18 2.89 1.48 -2 -7 15 0.98 1.05 -2 -7 15 1.70 1.20 -2 -7 14 4.74 1.36 -2 -7 14 3.90 1.24 -2 -7 13 30.88 1.59 -2 -7 13 28.49 1.54 -2 -7 12 3.62 1.39 -2 -7 12 1.97 1.27 -2 -7 11 35.45 1.66 -2 -7 11 33.53 1.66 -2 -7 10 59.97 1.85 2 7 -10 61.23 1.99 -2 -7 9 3.01 1.31 2 7 -9 3.42 1.32 -2 -7 8 71.41 2.01 2 7 -8 75.60 2.06 -2 -7 7 21.19 1.63 2 7 -7 23.51 1.53 -2 -7 6 57.89 1.85 2 7 -6 60.50 1.82 -2 -7 5 122.00 2.55 2 7 -5 129.80 2.58 -2 -7 4 25.46 1.40 2 7 -4 27.32 1.38 -2 -7 3 136.20 2.57 2 7 -3 138.20 2.59 -2 -7 2 2.44 1.11 2 7 -2 4.38 1.06 2 7 -2 2.24 0.37 -2 -7 1 274.20 4.34 2 7 -1 261.40 4.12 2 7 -1 252.20 21.80 -2 -7 0 431.50 6.32 2 7 0 427.50 6.32 2 7 0 418.50 36.19 -2 -7 -1 63.72 1.48 2 7 1 62.47 1.55 2 7 1 61.06 5.29 -2 -7 -2 298.00 4.49 2 7 2 298.30 4.56 -2 -7 -3 104.90 1.94 2 7 3 104.70 2.02 -2 -7 -4 265.50 4.04 2 7 4 271.00 4.20 -2 -7 -4 275.90 23.86 -2 -7 -5 258.00 3.97 2 7 5 257.00 4.02 -2 -7 -5 266.40 23.04 -2 -7 -6 11.01 1.02 2 7 6 9.94 0.97 -2 -7 -7 143.70 2.67 2 7 7 142.70 2.55 -2 -7 -8 227.10 3.74 2 7 8 223.40 3.65 -2 -7 -9 7.18 1.13 2 7 9 6.47 1.12 -2 -7 -10 176.40 3.07 2 7 10 178.50 3.17 -2 -7 -11 30.07 1.33 2 7 11 29.46 1.44 -2 -7 -12 111.00 2.38 2 7 12 114.60 2.43 -2 -7 -13 8.56 1.41 2 7 13 8.88 1.28 2 7 14 94.86 2.20 2 7 14 96.86 2.29 2 7 15 107.80 2.35 2 7 15 106.90 2.38 2 7 16 0.64 1.29 2 7 16 0.99 1.21 2 7 17 17.32 1.18 2 7 17 18.99 1.50 -2 -8 14 1.58 1.42 -2 -8 14 1.77 1.08 -2 -8 13 4.90 1.33 -2 -8 13 3.95 1.32 -2 -8 12 15.84 1.56 -2 -8 12 16.59 1.36 -2 -8 11 2.29 1.30 2 8 -11 1.17 1.26 -2 -8 10 36.95 1.56 2 8 -10 35.84 1.64 -2 -8 9 0.32 1.32 2 8 -9 0.12 1.30 -2 -8 8 21.65 1.61 2 8 -8 21.16 1.47 -2 -8 7 6.94 1.40 2 8 -7 6.35 1.36 -2 -8 6 85.68 2.21 2 8 -6 88.20 2.21 -2 -8 5 150.00 2.89 2 8 -5 158.40 2.98 -2 -8 4 37.03 1.53 2 8 -4 39.47 1.55 -2 -8 3 126.60 2.47 2 8 -3 118.70 2.36 2 8 -3 136.20 11.77 -2 -8 2 126.70 2.36 2 8 -2 129.40 2.50 2 8 -2 126.70 10.95 -2 -8 1 37.63 1.25 2 8 -1 41.82 1.47 2 8 -1 36.74 3.19 -2 -8 0 157.90 2.75 2 8 0 159.90 2.85 2 8 0 156.90 13.57 -2 -8 -1 51.82 1.40 2 8 1 50.38 1.50 -2 -8 -2 125.90 2.32 2 8 2 123.90 2.34 -2 -8 -3 77.52 1.72 2 8 3 78.51 1.78 -2 -8 -4 94.87 1.97 2 8 4 100.50 2.07 -2 -8 -5 203.60 3.43 2 8 5 204.50 3.36 -2 -8 -6 56.66 1.60 2 8 6 51.50 1.47 -2 -8 -6 50.27 4.35 -2 -8 -7 188.80 3.21 2 8 7 190.10 3.20 -2 -8 -8 259.40 4.14 2 8 8 257.20 4.16 -2 -8 -9 359.50 5.43 2 8 9 359.60 5.50 -2 -8 -10 87.27 1.93 2 8 10 86.31 2.00 -2 -8 -11 9.83 1.21 2 8 11 9.44 1.23 -2 -8 -12 76.05 2.04 2 8 12 79.21 2.03 -2 -8 -13 36.94 1.57 2 8 13 37.41 1.58 -2 -8 -14 8.65 1.33 2 8 14 9.24 1.41 2 8 15 81.16 2.03 2 8 15 78.19 2.06 2 8 16 2.11 1.14 2 8 16 3.63 1.29 -2 -9 13 4.23 1.22 -2 -9 13 1.82 1.19 -2 -9 12 26.34 1.50 -2 -9 12 27.29 1.56 -2 -9 11 3.49 1.34 2 9 -11 5.07 1.35 -2 -9 10 20.75 1.43 2 9 -10 22.67 1.55 -2 -9 9 18.78 1.52 2 9 -9 17.73 1.42 -2 -9 8 32.24 1.64 2 9 -8 33.81 1.65 -2 -9 7 122.90 2.67 2 9 -7 124.20 2.61 -2 -9 6 2.43 1.30 2 9 -6 0.71 1.28 -2 -9 5 215.20 3.69 2 9 -5 217.40 3.77 -2 -9 4 46.06 1.74 2 9 -4 44.41 1.75 2 9 -4 48.00 4.18 -2 -9 3 5.07 1.15 2 9 -3 2.45 1.26 2 9 -3 3.29 0.50 -2 -9 2 151.00 2.73 2 9 -2 153.40 2.87 2 9 -2 151.00 13.06 -2 -9 1 15.49 1.15 2 9 -1 16.22 1.27 2 9 -1 14.88 1.31 -2 -9 0 91.08 1.96 2 9 0 97.00 2.10 -2 -9 -1 2.52 0.93 2 9 1 0.58 0.98 -2 -9 -2 183.30 3.13 2 9 2 181.10 3.14 -2 -9 -3 222.20 3.65 2 9 3 220.80 3.64 -2 -9 -4 12.13 1.08 2 9 4 10.86 1.06 -2 -9 -5 348.50 5.35 2 9 5 344.40 5.25 -2 -9 -6 234.80 3.80 2 9 6 240.30 3.91 -2 -9 -7 2.36 0.93 2 9 7 3.67 0.99 -2 -9 -8 23.24 1.18 2 9 8 25.95 1.24 -2 -9 -9 -1.89 1.04 2 9 9 0.48 1.05 -2 -9 -10 40.63 1.49 2 9 10 38.53 1.49 -2 -9 -11 38.34 1.57 2 9 11 40.08 1.51 -2 -9 -12 42.54 1.55 2 9 12 45.55 1.58 -2 -9 -13 104.00 2.28 2 9 13 105.30 2.34 -2 -9 -14 6.99 1.29 2 9 14 7.56 1.32 -2 -9 -15 37.69 1.68 2 9 15 38.00 1.43 2 9 15 34.74 1.51 2 9 16 6.65 1.25 2 9 16 6.44 1.16 -2 -10 12 12.78 1.40 2 10 -12 13.05 1.25 -2 -10 11 3.61 1.33 2 10 -11 2.19 1.24 -2 -10 10 -0.25 1.20 2 10 -10 1.89 1.22 -2 -10 9 13.49 1.51 2 10 -9 11.97 1.36 -2 -10 8 3.73 1.35 2 10 -8 4.60 1.43 -2 -10 7 42.87 1.67 2 10 -7 39.69 1.67 -2 -10 6 -0.67 1.28 2 10 -6 1.16 1.31 -2 -10 5 28.02 1.43 2 10 -5 32.25 1.59 2 10 -5 30.08 2.65 -2 -10 4 6.12 1.27 2 10 -4 5.37 1.40 2 10 -4 6.32 0.69 -2 -10 3 26.77 1.43 2 10 -3 32.27 1.54 2 10 -3 26.23 2.31 -2 -10 2 235.90 4.03 2 10 -2 240.90 4.04 2 10 -2 232.40 20.10 -2 -10 1 39.12 1.58 2 10 -1 37.59 1.54 2 10 -1 31.93 2.77 -2 -10 0 69.37 1.86 2 10 0 70.38 1.94 -2 -10 -1 135.90 2.68 2 10 1 134.40 2.61 -2 -10 -2 1.98 1.12 2 10 2 1.36 1.07 -2 -10 -3 133.30 2.53 2 10 3 125.50 2.45 -2 -10 -4 2.18 0.94 2 10 4 -0.43 1.01 -2 -10 -5 108.50 2.07 2 10 5 108.90 2.24 -2 -10 -6 162.50 2.78 2 10 6 162.10 2.87 -2 -10 -7 37.15 1.35 2 10 7 35.83 1.42 -2 -10 -8 66.89 1.69 2 10 8 70.50 1.75 -2 -10 -8 68.36 5.92 -2 -10 -8 72.46 6.27 -2 -10 -9 2.07 1.08 2 10 9 2.05 1.03 -2 -10 -9 1.19 0.41 -2 -10 -9 1.85 0.32 -2 -10 -10 165.10 3.02 2 10 10 164.60 2.96 -2 -10 -10 189.20 16.38 -2 -10 -11 76.13 1.90 2 10 11 74.64 1.88 -2 -10 -11 86.45 7.49 -2 -10 -12 17.88 1.42 2 10 12 16.51 1.35 -2 -10 -12 18.07 1.66 -2 -10 -13 110.90 2.31 2 10 13 114.80 2.44 -2 -10 -13 128.40 11.11 -2 -10 -14 6.72 1.23 2 10 14 3.98 1.23 -2 -10 -14 6.97 0.88 -2 -10 -15 4.12 1.33 2 10 15 4.52 1.27 -2 -10 -15 5.60 0.78 -2 -10 -16 33.65 2.99 -2 -11 12 -0.15 1.18 -2 -11 11 1.67 1.21 2 11 -11 3.37 1.19 2 11 -11 0.98 0.45 -2 -11 10 17.78 1.46 2 11 -10 15.89 1.35 2 11 -10 15.28 1.41 -2 -11 9 40.45 1.69 2 11 -9 42.10 1.63 2 11 -9 35.80 3.15 -2 -11 8 2.05 1.44 2 11 -8 1.38 1.35 2 11 -8 0.37 0.45 -2 -11 7 59.77 1.79 2 11 -7 60.58 1.84 2 11 -7 60.78 5.29 -2 -11 6 30.91 1.70 2 11 -6 35.68 1.62 2 11 -6 33.90 2.98 -2 -11 5 15.91 1.50 2 11 -5 13.89 1.42 2 11 -5 14.74 1.37 -2 -11 4 159.30 3.10 2 11 -4 161.80 3.10 2 11 -4 165.90 14.35 -2 -11 3 0.44 1.27 2 11 -3 -0.48 1.24 2 11 -3 -0.29 0.37 -2 -11 2 34.30 1.60 2 11 -2 35.87 1.61 2 11 -2 34.92 3.04 -2 -11 1 20.55 1.47 2 11 -1 20.40 1.41 -2 -11 0 24.59 1.36 2 11 0 24.38 1.54 -2 -11 -1 96.59 2.14 2 11 1 99.72 2.21 -2 -11 -2 1.26 1.03 2 11 2 1.84 1.10 -2 -11 -3 161.70 2.86 2 11 3 164.10 2.98 -2 -11 -4 50.63 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291.40 25.20 4 1 -1 275.00 23.78 -4 -1 0 400.30 5.78 4 1 0 404.60 5.84 -4 -1 0 413.20 35.70 4 1 0 407.00 35.19 -4 -1 -1 42.44 0.95 4 1 1 42.06 1.00 -4 -1 -1 39.95 3.48 4 1 1 40.77 3.55 -4 -1 -2 462.40 6.63 4 1 2 466.00 6.67 -4 -1 -2 469.20 40.53 4 1 2 455.90 39.40 -4 -1 -3 234.20 3.49 4 1 3 232.20 3.43 -4 -1 -3 245.40 21.22 4 1 3 236.40 20.45 -4 -1 -4 10.97 0.67 4 1 4 12.02 0.61 -4 -1 -4 12.29 1.11 4 1 4 11.11 1.01 -4 -1 -5 347.10 5.04 4 1 5 349.20 5.07 -4 -1 -5 358.50 30.97 -4 -1 -6 33.90 1.06 4 1 6 36.18 1.09 -4 -1 -6 35.94 3.13 -4 -1 -7 88.94 1.79 4 1 7 83.49 1.68 -4 -1 -7 87.89 7.63 4 1 8 60.83 1.52 4 1 8 62.53 1.50 4 1 9 63.43 1.58 4 1 9 64.16 1.62 4 1 10 198.40 3.35 4 1 10 192.60 3.25 4 1 11 4.77 1.24 4 1 11 5.07 1.14 4 1 12 234.60 3.93 4 1 12 244.90 4.13 4 1 13 173.80 3.24 4 1 13 174.60 3.25 4 1 14 1.84 1.19 4 1 14 2.61 1.48 4 1 15 5.85 1.38 4 1 15 5.57 1.38 4 1 16 2.35 1.37 4 1 16 3.03 1.40 4 1 17 57.70 1.79 4 1 17 55.63 1.91 4 1 18 -0.62 1.19 4 1 18 -0.82 1.29 -4 -2 15 10.67 1.16 -4 -2 15 10.75 1.22 4 2 -15 10.50 1.05 -4 -2 14 12.46 1.22 -4 -2 14 12.94 1.30 4 2 -14 11.97 1.15 -4 -2 13 16.82 1.28 -4 -2 13 17.95 1.43 4 2 -13 19.78 1.80 -4 -2 12 54.52 1.87 -4 -2 12 55.23 1.81 4 2 -12 53.60 4.68 -4 -2 11 2.87 1.39 -4 -2 11 3.68 1.26 4 2 -11 4.19 0.66 -4 -2 10 124.10 2.64 -4 -2 10 120.70 2.52 4 2 -10 119.30 10.35 -4 -2 9 1.81 1.41 -4 -2 9 4.10 1.35 4 2 -9 0.51 0.49 -4 -2 8 21.39 1.55 -4 -2 8 22.23 1.53 4 2 -8 18.58 1.70 -4 -2 7 313.70 4.97 -4 -2 7 325.00 5.14 4 2 -7 319.70 27.64 -4 -2 6 1.59 1.07 -4 -2 6 1.48 1.20 4 2 -6 0.83 0.43 -4 -2 5 294.70 4.70 -4 -2 5 290.80 4.60 4 2 -5 308.70 26.70 -4 -2 4 112.70 2.21 -4 -2 4 111.00 2.26 4 2 -4 110.00 9.54 -4 -2 3 19.15 1.21 -4 -2 3 19.21 1.12 4 2 -3 19.06 1.70 -4 -2 2 54.07 1.39 -4 -2 2 54.84 1.48 -4 -2 2 57.02 4.95 4 2 -2 57.18 4.97 -4 -2 1 222.90 3.41 -4 -2 1 219.40 3.43 -4 -2 1 226.30 19.57 4 2 -1 240.10 20.77 -4 -2 0 650.70 9.20 -4 -2 0 656.80 9.30 -4 -2 0 681.40 59.00 4 2 0 670.90 58.11 -4 -2 -1 291.40 4.26 -4 -2 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13.09 1.41 -4 -3 11 12.19 1.33 4 3 -11 11.34 1.12 -4 -3 10 83.95 2.17 -4 -3 10 83.98 2.14 4 3 -10 78.28 6.80 -4 -3 9 190.90 3.46 -4 -3 9 189.00 3.48 4 3 -9 168.80 14.61 -4 -3 8 19.19 1.49 -4 -3 8 19.92 1.54 4 3 -8 19.97 1.81 -4 -3 7 124.90 2.62 -4 -3 7 128.00 2.63 4 3 -7 122.70 10.62 -4 -3 6 29.07 1.34 -4 -3 6 32.33 1.55 4 3 -6 30.18 2.66 -4 -3 5 132.60 2.62 -4 -3 5 128.40 2.44 4 3 -5 135.40 11.72 -4 -3 4 44.79 1.41 -4 -3 4 43.94 1.53 4 3 -4 45.56 3.97 -4 -3 3 134.00 2.48 -4 -3 3 132.50 2.45 4 3 -3 132.80 11.48 -4 -3 2 1030.00 14.41 -4 -3 2 1000.00 14.01 4 3 -2 1044.00 90.28 -4 -3 1 2.34 0.84 -4 -3 1 1.62 0.90 -4 -3 1 1.05 0.34 4 3 -1 2.99 0.42 -4 -3 0 282.50 4.23 -4 -3 0 279.80 4.16 -4 -3 0 287.60 24.86 4 3 0 302.70 26.17 -4 -3 -1 130.50 2.08 -4 -3 -1 127.30 2.00 -4 -3 -1 135.80 11.75 4 3 1 139.30 12.05 -4 -3 -2 44.83 3.89 4 3 2 44.70 3.88 -4 -3 -3 79.21 6.86 4 3 3 74.03 6.40 -4 -3 -4 16.34 1.45 4 3 4 15.66 1.39 4 3 5 8.73 0.54 4 3 5 8.78 0.46 -4 -3 -5 8.38 0.78 4 3 6 159.20 2.51 4 3 6 162.80 2.51 -4 -3 -6 172.70 14.96 4 3 7 95.08 1.77 4 3 7 96.30 1.72 -4 -3 -7 99.16 8.57 4 3 8 264.30 4.02 4 3 8 269.00 4.08 4 3 9 19.92 1.05 4 3 9 19.84 1.09 4 3 10 160.50 2.80 4 3 10 152.90 2.72 4 3 11 101.40 2.12 4 3 11 100.80 2.21 4 3 12 5.59 1.21 4 3 12 4.66 1.21 4 3 13 35.06 1.52 4 3 13 35.84 1.62 4 3 14 5.26 1.25 4 3 14 5.16 1.29 4 3 15 69.07 1.91 4 3 15 67.37 2.03 4 3 16 19.61 1.56 4 3 16 19.94 1.38 4 3 17 7.57 1.36 4 3 17 7.24 1.15 4 3 18 11.46 1.19 4 3 18 13.85 1.40 -4 -4 15 3.13 1.15 -4 -4 15 2.17 1.06 4 4 -15 5.14 0.63 -4 -4 14 32.80 1.49 -4 -4 14 32.43 1.45 4 4 -14 34.57 3.03 -4 -4 13 9.01 1.39 -4 -4 13 9.29 1.26 4 4 -13 5.84 0.71 -4 -4 12 19.71 1.40 -4 -4 12 19.35 1.41 4 4 -12 20.54 1.86 -4 -4 11 2.38 1.33 -4 -4 11 1.40 1.32 4 4 -11 -0.14 0.50 -4 -4 10 49.84 1.87 -4 -4 10 48.75 1.83 4 4 -10 45.41 3.98 -4 -4 9 93.77 2.28 -4 -4 9 87.77 2.23 4 4 -9 87.61 7.62 -4 -4 8 1.49 1.44 -4 -4 8 2.05 1.31 4 4 -8 0.40 0.49 -4 -4 7 100.60 2.33 -4 -4 7 100.40 2.28 4 4 -7 102.30 8.87 -4 -4 6 85.96 2.03 -4 -4 6 87.29 1.99 4 4 -6 85.30 7.40 -4 -4 5 6.70 1.18 -4 -4 5 4.72 1.04 4 4 -5 6.70 0.72 -4 -4 4 86.63 1.93 -4 -4 4 82.61 1.85 4 4 -4 91.79 7.97 -4 -4 3 1.55 1.03 -4 -4 3 -0.10 0.89 4 4 -3 0.06 0.35 -4 -4 2 254.60 3.98 -4 -4 2 258.80 4.02 4 4 -2 271.90 23.50 -4 -4 1 145.80 2.50 -4 -4 1 143.40 2.40 -4 -4 1 137.10 11.86 4 4 -1 144.80 12.53 -4 -4 0 22.63 0.91 4 4 0 21.99 0.90 -4 -4 0 22.14 1.95 4 4 0 22.62 1.99 -4 -4 -1 371.90 5.38 4 4 1 369.30 5.33 -4 -4 -1 387.30 33.49 4 4 1 390.20 33.74 -4 -4 -2 0.56 0.40 4 4 2 0.11 0.45 -4 -4 -2 -0.51 0.26 4 4 2 0.34 0.25 -4 -4 -3 438.00 8.76 4 4 3 438.10 8.22 -4 -4 -3 459.70 39.72 4 4 3 454.90 39.30 4 4 4 784.50 20.94 -4 -4 -4 781.00 67.33 4 4 5 112.80 1.84 4 4 5 115.70 1.85 -4 -4 -5 114.90 9.94 4 4 6 341.20 5.01 4 4 6 342.60 4.98 -4 -4 -6 352.60 30.48 4 4 7 21.81 0.91 4 4 7 22.34 0.83 -4 -4 -7 22.73 2.00 4 4 8 141.90 2.41 4 4 8 136.50 2.30 -4 -4 -8 147.80 12.76 4 4 9 69.10 1.58 4 4 9 71.84 1.62 4 4 10 3.12 0.91 4 4 10 3.97 1.03 4 4 11 352.40 5.42 4 4 11 366.80 5.62 4 4 12 11.78 1.26 4 4 12 10.58 1.33 4 4 13 11.65 1.30 4 4 13 12.34 1.36 4 4 14 16.69 1.35 4 4 14 16.67 1.41 4 4 15 33.39 1.63 4 4 15 34.23 1.52 4 4 16 71.24 1.94 4 4 16 71.65 1.99 4 4 17 0.81 1.23 4 4 17 -1.18 1.42 -4 -5 14 3.61 1.19 -4 -5 14 1.45 1.09 4 5 -14 2.57 0.55 -4 -5 13 16.86 1.33 -4 -5 13 17.37 1.52 4 5 -13 17.09 1.57 -4 -5 12 11.57 1.36 -4 -5 12 12.02 1.22 4 5 -12 12.76 1.23 -4 -5 11 30.41 1.60 -4 -5 11 28.19 1.55 4 5 -11 29.25 2.60 -4 -5 10 0.77 1.31 -4 -5 10 1.90 1.36 4 5 -10 -0.81 0.52 -4 -5 9 73.32 2.11 -4 -5 9 76.40 2.14 4 5 -9 71.20 6.19 -4 -5 8 77.98 2.14 -4 -5 8 75.31 2.01 4 5 -8 67.85 5.90 -4 -5 7 47.49 1.81 -4 -5 7 46.34 1.65 4 5 -7 40.83 3.58 -4 -5 6 119.70 2.49 -4 -5 6 112.70 2.30 4 5 -6 115.60 10.00 -4 -5 5 15.16 1.30 -4 -5 5 15.01 1.23 4 5 -5 15.10 1.38 -4 -5 4 246.30 3.90 -4 -5 4 243.80 3.93 4 5 -4 256.30 22.17 -4 -5 3 46.93 1.47 4 5 -3 45.74 1.47 4 5 -3 44.04 3.84 -4 -5 2 61.00 1.51 4 5 -2 59.75 1.52 4 5 -2 63.69 5.53 -4 -5 1 349.00 5.19 4 5 -1 347.70 5.15 4 5 -1 343.50 29.69 -4 -5 0 14.82 0.84 4 5 0 13.44 0.90 -4 -5 0 12.99 1.17 4 5 0 14.63 1.31 -4 -5 -1 304.10 4.45 4 5 1 301.30 4.43 -4 -5 -1 306.10 26.46 4 5 1 315.30 27.26 -4 -5 -2 18.64 0.66 4 5 2 19.68 0.73 -4 -5 -2 19.70 1.73 4 5 2 18.47 1.62 -4 -5 -3 4.73 0.45 4 5 3 3.93 0.56 -4 -5 -3 5.05 0.50 4 5 3 4.58 0.48 -4 -5 -4 191.00 2.88 4 5 4 194.70 2.95 -4 -5 -4 200.10 17.28 -4 -5 -5 110.80 1.83 4 5 5 112.30 1.82 -4 -5 -5 107.80 9.32 -4 -5 -6 153.70 2.47 4 5 6 155.70 2.43 -4 -5 -6 154.70 13.37 -4 -5 -7 26.18 0.93 4 5 7 25.28 0.87 -4 -5 -7 26.80 2.34 4 5 8 114.70 2.04 4 5 8 115.40 2.07 -4 -5 -8 113.30 9.82 4 5 9 193.60 3.17 4 5 9 194.10 3.18 4 5 10 45.37 1.39 4 5 10 40.81 1.37 4 5 11 370.40 5.62 4 5 11 364.00 5.58 4 5 12 13.91 1.23 4 5 12 11.89 1.22 4 5 13 35.08 1.52 4 5 13 33.17 1.52 4 5 14 55.68 1.80 4 5 14 57.76 1.78 4 5 15 7.48 1.36 4 5 15 11.10 1.25 4 5 16 37.16 1.57 4 5 16 36.64 1.59 4 5 17 -0.46 1.15 4 5 17 1.95 1.31 -4 -6 14 1.84 1.02 -4 -6 14 2.30 1.03 4 6 -14 -1.19 0.45 -4 -6 13 2.14 1.31 -4 -6 13 0.67 1.20 4 6 -13 3.36 0.55 -4 -6 12 11.37 1.44 -4 -6 12 9.61 1.28 4 6 -12 14.37 1.35 -4 -6 11 77.79 2.09 -4 -6 11 76.41 2.13 4 6 -11 74.79 6.51 -4 -6 10 4.81 1.33 -4 -6 10 3.45 1.26 4 6 -10 4.52 0.63 -4 -6 9 96.22 2.24 -4 -6 9 97.52 2.18 4 6 -9 94.92 8.26 -4 -6 8 43.09 1.62 -4 -6 8 45.38 1.81 4 6 -8 47.06 4.11 -4 -6 7 0.97 1.44 -4 -6 7 0.29 1.37 4 6 -7 -1.02 0.45 -4 -6 6 132.10 2.71 -4 -6 6 133.20 2.76 4 6 -6 120.20 10.42 -4 -6 5 14.59 1.25 4 6 -5 12.46 1.29 4 6 -5 15.05 1.37 -4 -6 4 119.90 2.41 4 6 -4 119.40 2.34 4 6 -4 126.80 10.99 -4 -6 3 181.50 3.16 4 6 -3 181.40 3.10 4 6 -3 184.10 15.91 -4 -6 2 23.72 1.23 4 6 -2 23.52 1.21 4 6 -2 24.15 2.13 -4 -6 1 137.90 2.48 4 6 -1 137.50 2.43 4 6 -1 140.00 12.11 -4 -6 0 0.19 0.89 4 6 0 0.11 0.81 4 6 0 0.57 0.30 -4 -6 -1 416.60 6.05 4 6 1 423.40 6.14 -4 -6 -1 400.20 34.60 4 6 1 438.00 37.85 -4 -6 -2 318.70 4.66 4 6 2 319.50 4.68 -4 -6 -2 319.40 27.61 4 6 2 322.50 27.88 -4 -6 -3 30.71 0.87 4 6 3 30.21 0.93 -4 -6 -3 28.89 2.52 4 6 3 29.43 2.56 -4 -6 -4 245.00 3.68 4 6 4 250.10 3.73 -4 -6 -4 252.40 21.83 -4 -6 -5 7.37 0.68 4 6 5 7.07 0.63 -4 -6 -5 7.30 0.69 -4 -6 -6 193.20 3.00 4 6 6 200.10 3.10 -4 -6 -6 189.60 16.39 -4 -6 -7 203.60 3.17 4 6 7 199.20 3.11 -4 -6 -7 204.30 17.68 -4 -6 -8 1.69 0.75 4 6 8 1.35 0.76 -4 -6 -8 1.19 0.31 -4 -6 -9 179.60 3.02 4 6 9 178.00 2.96 -4 -6 -9 173.90 15.02 4 6 10 1.00 0.99 4 6 10 2.65 1.03 4 6 11 24.10 1.36 4 6 11 24.29 1.28 4 6 12 70.94 1.88 4 6 12 65.59 1.73 4 6 13 -0.35 1.16 4 6 13 0.77 1.22 4 6 14 97.61 2.17 4 6 14 94.28 2.16 4 6 15 2.81 1.22 4 6 15 1.99 1.34 4 6 16 49.69 1.86 4 6 16 49.72 1.65 4 6 17 17.56 1.34 4 6 17 16.02 1.44 4 6 18 2.26 1.50 4 6 18 0.14 0.96 -4 -7 13 10.39 1.22 -4 -7 13 9.99 1.30 4 7 -13 12.63 1.20 -4 -7 12 1.35 1.35 -4 -7 12 0.00 1.21 4 7 -12 1.35 0.51 -4 -7 11 21.68 1.47 -4 -7 11 24.81 1.45 4 7 -11 26.20 2.34 -4 -7 10 21.66 1.54 -4 -7 10 19.89 1.36 4 7 -10 23.74 2.13 -4 -7 9 0.02 1.38 -4 -7 9 -0.79 1.26 4 7 -9 2.57 0.52 -4 -7 8 45.98 1.75 -4 -7 8 47.36 1.80 4 7 -8 43.45 3.80 -4 -7 7 -0.10 1.45 -4 -7 7 -0.52 1.30 4 7 -7 -0.23 0.46 -4 -7 6 47.64 1.80 4 7 -6 43.57 1.66 4 7 -6 44.51 3.89 -4 -7 5 1.50 1.49 4 7 -5 0.86 1.17 4 7 -5 3.18 0.48 -4 -7 4 110.00 2.41 4 7 -4 117.10 2.42 4 7 -4 112.50 9.75 -4 -7 3 112.50 2.33 4 7 -3 116.50 2.33 4 7 -3 117.40 10.18 -4 -7 2 1.25 1.09 4 7 -2 1.30 1.04 4 7 -2 1.04 0.38 -4 -7 1 198.00 3.37 4 7 -1 196.00 3.25 4 7 -1 204.50 17.70 -4 -7 0 56.75 1.49 4 7 0 56.49 1.48 4 7 0 56.18 4.87 -4 -7 -1 10.47 0.94 4 7 1 10.66 0.95 4 7 1 11.88 1.06 -4 -7 -2 273.70 4.19 4 7 2 275.10 4.17 -4 -7 -2 254.50 21.99 4 7 2 279.50 24.14 -4 -7 -3 23.98 0.90 4 7 3 22.29 0.95 -4 -7 -3 22.49 1.96 4 7 3 22.00 1.92 -4 -7 -4 108.30 1.90 4 7 4 113.50 1.98 -4 -7 -4 116.20 10.03 -4 -7 -5 48.55 1.14 4 7 5 48.93 1.19 -4 -7 -5 50.94 4.42 -4 -7 -6 72.42 1.47 4 7 6 75.41 1.53 -4 -7 -6 72.23 6.27 -4 -7 -7 141.70 2.34 4 7 7 147.10 2.49 -4 -7 -7 141.90 12.27 -4 -7 -8 7.16 0.91 4 7 8 6.31 0.86 -4 -7 -8 5.90 0.59 -4 -7 -9 386.00 5.83 4 7 9 383.40 5.76 -4 -7 -9 399.40 34.53 -4 -7 -10 67.55 1.76 4 7 10 68.15 1.70 -4 -7 -10 72.31 6.27 -4 -7 -11 49.89 1.50 4 7 11 50.89 1.59 4 7 12 215.90 3.65 4 7 12 215.20 3.64 4 7 13 15.90 1.28 4 7 13 18.34 1.34 4 7 14 98.46 2.15 4 7 14 96.23 2.23 4 7 15 6.78 1.24 4 7 15 5.33 1.21 4 7 16 14.49 1.25 4 7 16 14.28 1.45 4 7 18 1.48 1.42 4 7 18 -0.43 1.12 -4 -8 13 13.56 1.24 -4 -8 13 15.05 1.25 4 8 -13 16.32 1.50 -4 -8 12 3.78 1.21 -4 -8 12 4.97 1.28 4 8 -12 2.80 0.53 -4 -8 11 12.69 1.34 -4 -8 11 14.56 1.33 4 8 -11 12.94 1.23 -4 -8 10 20.16 1.51 -4 -8 10 20.17 1.41 4 8 -10 16.03 1.49 -4 -8 9 1.49 1.38 -4 -8 9 -1.18 1.35 4 8 -9 -0.14 0.50 -4 -8 8 104.90 2.48 -4 -8 8 101.70 2.34 4 8 -8 101.70 8.83 -4 -8 7 14.44 1.58 4 8 -7 15.21 1.48 4 8 -7 15.47 1.43 -4 -8 6 32.65 1.74 4 8 -6 31.01 1.60 4 8 -6 33.63 2.96 -4 -8 5 86.91 2.27 4 8 -5 88.95 2.19 4 8 -5 89.16 7.72 -4 -8 4 1.23 1.40 4 8 -4 0.20 1.30 4 8 -4 1.90 0.46 -4 -8 3 177.70 3.21 4 8 -3 170.90 3.08 4 8 -3 177.30 15.35 -4 -8 2 217.30 3.59 4 8 -2 219.00 3.63 4 8 -2 222.90 19.27 -4 -8 1 121.40 2.34 4 8 -1 124.00 2.36 4 8 -1 117.20 10.13 -4 -8 0 68.39 1.62 4 8 0 74.13 1.69 4 8 0 72.71 6.32 -4 -8 -1 0.69 0.79 4 8 1 0.84 0.97 4 8 1 1.01 0.24 -4 -8 -2 123.90 2.15 4 8 2 119.50 2.20 4 8 2 132.00 11.42 -4 -8 -3 2.76 0.73 4 8 3 2.72 0.85 -4 -8 -3 2.50 0.30 -4 -8 -4 234.50 3.57 4 8 4 234.40 3.65 -4 -8 -4 232.50 20.11 -4 -8 -5 141.60 2.34 4 8 5 141.60 2.44 -4 -8 -5 140.30 12.14 -4 -8 -6 16.61 0.91 4 8 6 18.51 0.99 -4 -8 -6 15.22 1.34 -4 -8 -7 223.50 3.61 4 8 7 223.20 3.55 -4 -8 -7 218.90 18.91 -4 -8 -8 56.80 1.54 4 8 8 58.02 1.49 -4 -8 -8 56.85 4.93 -4 -8 -9 2.59 1.01 4 8 9 3.18 1.00 -4 -8 -9 3.68 0.44 -4 -8 -10 83.54 1.82 4 8 10 79.42 1.84 -4 -8 -10 86.40 7.49 -4 -8 -11 7.63 1.25 4 8 11 7.84 1.14 -4 -8 -11 6.51 0.71 -4 -8 -12 19.23 1.30 4 8 12 17.99 1.23 -4 -8 -12 20.63 1.85 4 8 13 2.57 1.16 4 8 13 1.23 1.24 4 8 14 32.68 1.47 4 8 14 31.71 1.54 4 8 15 31.23 1.45 4 8 15 32.27 1.57 4 8 16 1.28 1.01 4 8 16 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10 -5 106.90 2.39 4 10 -5 97.55 8.45 -4 -10 4 122.50 2.59 4 10 -4 121.30 2.50 4 10 -4 119.70 10.35 -4 -10 3 2.50 1.17 4 10 -3 3.17 1.30 4 10 -3 3.27 0.47 -4 -10 2 19.61 1.40 4 10 -2 20.95 1.46 4 10 -2 18.29 1.63 -4 -10 1 30.74 1.47 4 10 -1 32.16 1.54 4 10 -1 28.71 2.51 -4 -10 0 96.01 2.15 4 10 0 94.31 2.14 4 10 0 80.97 7.00 -4 -10 -1 37.68 1.46 4 10 1 38.26 1.47 4 10 1 35.20 3.06 -4 -10 -2 65.66 1.72 4 10 2 62.66 1.71 -4 -10 -3 83.27 1.88 4 10 3 79.84 1.84 -4 -10 -4 6.82 0.94 4 10 4 7.77 1.05 -4 -10 -5 96.75 1.97 4 10 5 100.20 2.06 -4 -10 -6 91.94 1.91 4 10 6 90.70 1.93 -4 -10 -6 99.96 8.65 -4 -10 -7 15.17 0.99 4 10 7 13.58 1.06 -4 -10 -7 14.80 1.31 -4 -10 -8 73.65 1.72 4 10 8 73.12 1.71 -4 -10 -8 75.75 6.55 -4 -10 -9 -0.15 1.03 4 10 9 0.70 1.00 -4 -10 -9 0.72 0.28 -4 -10 -10 76.58 1.87 4 10 10 77.71 1.80 -4 -10 -10 83.29 7.19 -4 -10 -11 35.56 1.43 4 10 11 33.04 1.32 -4 -10 -11 38.31 3.34 -4 -10 -12 27.92 1.44 4 10 12 30.45 1.36 -4 -10 -12 26.46 2.34 -4 -10 -13 61.76 1.81 4 10 13 60.09 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38.21 1.49 4 12 -1 37.74 1.55 4 12 -1 35.09 3.05 -4 -12 0 4.11 1.07 4 12 0 1.91 1.25 -4 -12 -1 55.71 1.60 4 12 1 53.14 1.68 -4 -12 -2 3.47 1.05 4 12 2 1.86 1.19 -4 -12 -3 40.57 1.41 4 12 3 43.04 1.68 -4 -12 -4 32.53 1.31 4 12 4 32.65 1.51 -4 -12 -5 18.05 1.17 4 12 5 20.10 1.23 -4 -12 -6 65.20 1.63 4 12 6 66.38 1.71 -4 -12 -7 4.05 0.97 4 12 7 4.25 1.16 -4 -12 -8 38.97 1.41 4 12 8 40.52 1.44 -4 -12 -9 38.83 1.42 4 12 9 39.90 1.47 -4 -12 -10 0.21 1.18 4 12 10 0.61 1.13 -4 -12 -11 80.48 1.93 4 12 11 78.83 1.98 -4 -12 -11 84.67 7.32 -4 -12 -11 85.95 7.44 -4 -12 -12 1.79 1.28 4 12 12 1.68 1.26 -4 -12 -12 2.40 0.45 -4 -12 -12 1.73 0.61 -4 -12 -13 39.91 1.65 4 12 13 39.07 1.62 -4 -12 -13 36.44 3.22 -4 -12 -13 30.38 2.68 -4 -12 -14 15.32 1.46 4 12 14 19.35 1.33 -4 -13 8 4.28 1.38 4 13 -8 3.65 1.23 4 13 -8 5.11 0.71 -4 -13 7 1.25 1.36 4 13 -7 -0.94 1.26 4 13 -7 0.50 0.48 -4 -13 6 11.70 1.46 4 13 -6 10.91 1.25 4 13 -6 10.87 1.06 -4 -13 5 -0.46 1.34 4 13 -5 -0.39 1.18 4 13 -5 0.07 0.43 -4 -13 4 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37.73 3.30 -6 -7 3 89.81 2.28 -6 -7 3 88.45 2.12 6 7 -3 88.10 7.66 -6 -7 2 1.89 1.24 -6 -7 2 1.61 1.11 6 7 -2 1.32 0.40 -6 -7 1 66.62 1.82 -6 -7 1 67.40 1.77 6 7 -1 64.08 5.58 -6 -7 0 107.70 2.12 -6 -7 0 111.30 2.16 6 7 0 120.00 10.37 -6 -7 -1 41.87 1.18 -6 -7 -1 41.80 1.15 -6 -7 -1 43.81 3.81 6 7 1 46.73 4.06 -6 -7 -2 206.40 3.20 -6 -7 -2 198.00 3.13 -6 -7 -2 196.60 17.00 6 7 2 201.30 17.40 -6 -7 -3 3.66 0.48 -6 -7 -3 3.03 0.55 -6 -7 -3 3.10 0.41 6 7 3 2.12 0.36 -6 -7 -4 111.00 9.62 6 7 4 113.80 9.86 -6 -7 -5 6.50 0.65 -6 -7 -6 119.30 10.32 -6 -7 -7 120.20 10.39 -6 -7 -8 18.23 1.63 6 7 9 54.49 1.26 6 7 9 56.64 1.24 -6 -7 -9 57.35 4.98 6 7 10 22.12 1.03 6 7 10 22.04 0.95 -6 -7 -10 13.05 1.20 6 7 11 42.86 1.31 6 7 11 43.60 1.28 -6 -7 -11 48.93 4.25 -6 -7 -12 43.79 3.81 6 7 13 11.12 1.22 6 7 13 11.95 1.13 -6 -7 -13 7.22 0.76 6 7 14 30.96 1.46 6 7 14 32.02 1.42 -6 -7 -14 30.82 2.70 -6 -7 -15 3.08 0.51 6 7 16 15.44 1.34 6 7 16 15.96 1.48 -6 -7 -16 17.14 1.56 6 7 17 11.99 1.46 -6 -7 -17 13.50 1.26 -6 -8 11 11.28 1.25 -6 -8 11 11.56 1.34 6 8 -11 13.21 1.24 -6 -8 10 8.46 1.31 -6 -8 10 11.20 1.39 6 8 -10 10.60 1.04 -6 -8 9 5.07 1.29 -6 -8 9 5.89 1.41 6 8 -9 8.22 0.84 -6 -8 8 34.00 1.63 -6 -8 8 34.66 1.64 6 8 -8 33.00 2.91 -6 -8 7 11.36 1.38 -6 -8 7 11.15 1.36 6 8 -7 11.28 1.10 -6 -8 6 28.82 1.61 -6 -8 6 31.94 1.62 6 8 -6 26.23 2.32 -6 -8 5 19.51 1.44 -6 -8 5 20.75 1.45 6 8 -5 19.95 1.79 -6 -8 4 12.87 1.36 -6 -8 4 9.63 1.24 6 8 -4 13.13 1.22 -6 -8 3 34.79 1.54 -6 -8 3 34.72 1.62 6 8 -3 34.75 3.04 -6 -8 2 22.91 1.38 -6 -8 2 22.00 1.42 6 8 -2 21.11 1.88 -6 -8 1 130.90 2.52 6 8 -1 127.60 2.46 6 8 -1 128.20 11.08 -6 -8 0 175.70 3.00 6 8 0 168.40 2.95 6 8 0 162.00 14.02 -6 -8 -1 143.00 2.53 6 8 1 141.30 2.51 6 8 1 126.90 11.00 -6 -8 -2 60.22 1.31 6 8 2 66.32 1.48 -6 -8 -2 71.74 6.23 6 8 2 67.49 5.84 -6 -8 -3 3.90 0.72 6 8 3 0.52 0.75 -6 -8 -3 3.44 0.45 6 8 3 3.27 0.44 -6 -8 -4 52.06 1.09 6 8 4 50.59 1.15 -6 -8 -4 55.49 4.82 6 8 4 57.62 5.00 -6 -8 -5 67.60 1.25 6 8 5 68.99 1.33 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6 10 -9 1.68 0.47 -6 -10 8 6.83 1.47 -6 -10 8 7.08 1.55 6 10 -8 6.08 0.67 -6 -10 7 11.06 1.57 -6 -10 7 12.54 1.52 6 10 -7 12.44 1.16 -6 -10 6 2.92 1.31 -6 -10 6 -0.52 1.46 6 10 -6 -0.01 0.39 -6 -10 5 15.56 1.46 -6 -10 5 16.98 1.50 6 10 -5 17.97 1.62 -6 -10 4 -1.94 1.37 -6 -10 4 -0.53 1.27 6 10 -4 -0.89 1.19 6 10 -4 -0.36 0.38 -6 -10 3 46.52 1.73 6 10 -3 44.46 1.62 6 10 -3 42.54 3.71 -6 -10 2 85.93 2.13 6 10 -2 89.67 2.08 6 10 -2 81.82 7.09 -6 -10 1 0.33 1.20 6 10 -1 -0.97 1.17 6 10 -1 0.62 0.33 -6 -10 0 32.25 1.45 6 10 0 29.21 1.38 6 10 0 28.56 2.50 -6 -10 -1 10.42 1.13 6 10 1 8.18 1.12 6 10 1 9.73 0.91 -6 -10 -2 62.47 1.58 6 10 2 59.66 1.58 6 10 2 63.79 5.53 -6 -10 -3 53.01 1.32 6 10 3 51.02 1.46 6 10 3 58.26 5.05 -6 -10 -4 13.35 0.94 6 10 4 12.70 1.04 -6 -10 -5 119.30 2.17 6 10 5 113.70 2.09 -6 -10 -5 109.80 9.51 -6 -10 -6 11.06 0.84 6 10 6 12.29 1.01 -6 -10 -6 11.45 1.04 -6 -10 -7 48.23 1.19 6 10 7 48.12 1.27 -6 -10 -7 49.67 4.31 -6 -10 -8 120.60 2.20 6 10 8 131.80 2.38 -6 -10 -8 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-12 1 -4 5.88 0.67 12 -1 4 4.99 0.60 -12 1 -5 5.07 1.18 12 -1 5 3.23 1.30 -12 1 -5 4.50 0.59 12 -1 5 4.12 0.55 -12 1 -6 11.51 1.44 12 -1 6 8.29 1.34 -12 1 -6 6.22 0.68 12 -1 6 8.36 0.83 -12 1 -7 3.22 1.36 12 -1 7 3.21 1.26 -12 1 -7 2.75 0.47 -12 1 -8 7.59 1.50 12 -1 8 11.93 1.26 -12 1 -8 10.74 1.02 -12 1 -9 0.95 1.59 12 -1 9 4.22 1.16 -12 1 -9 4.85 0.55 -12 1 -10 1.85 1.56 12 -1 10 3.02 1.12 -12 1 -10 3.91 0.50 -12 1 -11 2.26 1.99 12 -1 11 3.65 1.28 -12 1 -11 4.42 0.53 12 -1 12 -0.71 1.67 -12 1 -12 0.06 0.35 -12 0 3 -1.58 1.20 -12 0 3 1.27 1.51 12 0 -3 0.30 0.42 -12 0 2 12.23 1.56 -12 0 2 11.99 1.26 12 0 -2 10.15 0.98 -12 0 1 14.60 1.58 -12 0 1 16.11 1.42 -12 0 1 14.44 1.32 12 0 -1 13.98 1.29 -12 0 0 0.68 1.39 12 0 0 3.36 1.20 -12 0 0 -0.04 0.42 12 0 0 -0.17 0.45 -12 0 -1 26.52 1.48 12 0 1 24.89 1.46 -12 0 -1 23.29 2.07 12 0 1 25.77 2.29 -12 0 -2 16.76 1.29 12 0 2 15.33 1.48 -12 0 -2 16.62 1.52 12 0 2 15.15 1.39 -12 0 -3 12.61 1.23 12 0 3 12.68 1.39 -12 0 -3 11.53 1.09 12 0 3 13.67 1.27 -12 0 -4 7.88 1.35 12 0 4 5.14 1.23 -12 0 -4 3.73 0.54 12 0 4 4.70 0.59 -12 0 -5 0.34 1.33 12 0 5 -0.10 1.23 -12 0 -5 1.55 0.44 12 0 5 0.66 0.43 -12 0 -6 4.33 1.30 12 0 6 4.89 1.12 -12 0 -6 5.30 0.63 12 0 6 6.09 0.67 -12 0 -7 14.73 1.27 12 0 7 15.95 1.07 -12 0 -7 17.53 1.58 -12 0 -8 -1.31 1.04 12 0 8 1.02 0.89 -12 0 -8 0.42 0.41 -12 0 -9 4.36 1.06 12 0 9 6.11 0.84 -12 0 -9 6.71 0.70 -12 0 -10 0.00 0.35 -12 0 -11 3.88 0.50 -12 0 -12 3.34 0.47 -12 -1 3 0.70 1.14 -12 -1 3 -0.64 1.55 12 1 -3 1.02 0.41 -12 -1 2 8.27 1.27 -12 -1 2 7.80 1.61 12 1 -2 8.80 0.88 -12 -1 1 17.08 1.52 -12 -1 1 17.88 1.57 -12 -1 1 16.77 1.51 12 1 -1 18.42 1.65 -12 -1 0 3.94 1.30 -12 -1 0 2.39 1.46 -12 -1 0 2.00 0.45 12 1 0 3.52 0.55 -12 -1 -1 21.01 1.24 -12 -1 -1 21.69 1.66 -12 -1 -1 21.90 1.95 12 1 1 22.40 2.00 -12 -1 -2 9.10 1.35 -12 -1 -2 6.15 1.54 -12 -1 -2 4.93 0.59 12 1 2 7.25 0.77 -12 -1 -3 0.74 0.38 12 1 3 -0.60 0.42 -12 -1 -4 6.50 1.12 -12 -1 -4 4.85 1.21 -12 -1 -4 5.83 0.65 12 1 4 2.97 0.48 -12 -1 -5 1.27 0.85 -12 -1 -5 0.93 0.88 -12 -1 -5 0.59 0.43 12 1 5 0.80 0.41 -12 -1 -6 24.32 2.15 12 1 6 22.95 2.04 -12 -1 -7 14.58 1.34 -12 -1 -8 52.75 4.59 -12 -1 -9 6.14 0.64 -12 -1 -10 0.56 0.32 -12 -1 -11 26.88 2.36 -12 -1 -12 13.22 1.22 -12 -2 3 14.92 1.35 -12 -2 3 14.59 1.83 12 2 -3 14.81 1.35 -12 -2 2 -0.58 1.30 -12 -2 2 1.02 1.61 12 2 -2 -1.15 0.38 -12 -2 1 4.60 1.37 -12 -2 1 3.84 1.49 -12 -2 1 3.99 0.54 12 2 -1 3.82 0.52 -12 -2 0 2.23 1.20 -12 -2 0 4.34 1.56 -12 -2 0 3.44 0.49 12 2 0 1.91 0.44 -12 -2 -1 5.89 1.27 -12 -2 -1 4.54 1.52 -12 -2 -1 4.23 0.57 12 2 1 4.55 0.59 -12 -2 -2 4.21 1.29 -12 -2 -2 3.65 1.38 -12 -2 -2 4.67 0.60 12 2 2 1.42 0.44 -12 -2 -3 -0.35 1.02 -12 -2 -3 -0.72 1.01 -12 -2 -3 0.20 0.39 12 2 3 0.93 0.40 -12 -2 -4 7.80 0.78 12 2 4 6.24 0.68 -12 -2 -5 4.40 0.54 12 2 5 4.78 0.58 -12 -2 -6 11.45 1.06 12 2 6 17.77 1.60 -12 -2 -7 1.97 0.42 -12 -2 -8 5.55 0.61 -12 -2 -9 2.11 0.40 -12 -2 -10 11.48 1.06 -12 -2 -11 0.28 0.38 -12 -2 -12 2.25 0.44 -12 -2 -13 -0.69 0.35 12 3 -3 15.94 1.44 12 3 -2 3.85 0.51 -12 -3 1 6.92 1.34 -12 -3 1 4.34 1.64 12 3 -1 6.58 0.71 -12 -3 0 18.01 1.40 -12 -3 0 16.40 1.65 -12 -3 0 18.94 1.69 12 3 0 16.11 1.47 -12 -3 -1 1.37 1.23 -12 -3 -1 -0.57 1.40 -12 -3 -1 -0.43 0.40 12 3 1 2.27 0.47 -12 -3 -2 10.50 1.01 12 3 2 11.41 1.09 -12 -3 -3 3.78 0.54 12 3 3 4.31 0.57 -12 -3 -4 14.39 1.32 12 3 4 12.10 1.13 -12 -3 -5 19.76 1.76 12 3 5 18.36 1.65 -12 -3 -6 7.62 0.77 12 3 6 7.11 0.74 -12 -3 -7 20.05 1.79 -12 -3 -8 16.57 1.49 -12 -3 -9 28.90 2.54 -12 -3 -10 13.88 1.26 -12 -3 -11 2.06 0.42 -12 -3 -12 4.03 0.51 -12 -3 -13 -0.09 0.36 -12 -4 3 0.18 1.32 12 4 -2 7.90 0.80 -12 -4 1 1.92 1.35 -12 -4 1 -0.94 1.52 12 4 -1 0.14 0.40 -12 -4 0 5.86 1.32 -12 -4 0 5.71 1.51 -12 -4 0 7.28 0.76 12 4 0 7.04 0.74 -12 -4 -1 -0.44 1.03 -12 -4 -1 -0.21 1.11 -12 -4 -1 1.04 0.40 12 4 1 0.57 0.43 -12 -4 -2 6.42 0.70 12 4 2 5.64 0.65 -12 -4 -3 0.82 0.45 12 4 3 0.99 0.42 -12 -4 -4 10.56 1.00 12 4 4 10.89 1.03 -12 -4 -5 11.98 1.12 12 4 5 12.58 1.17 -12 -4 -6 1.38 0.40 12 4 6 0.53 0.40 -12 -4 -7 8.86 0.87 -12 -4 -8 2.16 0.43 -12 -4 -9 4.78 0.57 -12 -4 -10 7.65 0.76 -12 -4 -11 0.63 0.37 -12 -4 -12 0.31 0.37 -12 -5 2 7.18 2.38 -12 -5 2 10.58 1.62 12 5 -2 4.39 0.54 12 5 -1 -0.05 0.39 12 5 0 9.82 0.95 -12 -5 -1 0.00 0.39 12 5 1 3.25 0.51 -12 -5 -2 12.04 1.12 12 5 2 15.41 1.41 -12 -5 -3 35.10 3.08 12 5 3 33.86 2.97 -12 -5 -4 0.83 0.38 12 5 4 1.26 0.42 -12 -5 -5 10.55 0.99 12 5 5 11.40 1.08 -12 -5 -6 8.85 0.88 12 5 6 8.04 0.82 -12 -5 -7 0.56 0.38 -12 -5 -8 3.28 0.47 -12 -5 -9 -0.16 0.38 -12 -5 -10 4.05 0.50 -12 -5 -11 0.63 0.37 -12 -5 -12 4.43 0.55 12 6 -1 2.48 0.45 12 6 0 1.68 0.43 -12 -6 -1 0.77 0.38 12 6 1 0.77 0.42 -12 -6 -2 2.91 0.47 12 6 2 0.75 0.42 -12 -6 -3 12.73 1.18 12 6 3 13.79 1.27 -12 -6 -4 1.12 0.41 12 6 4 1.85 0.44 -12 -6 -5 4.89 0.56 12 6 5 4.80 0.59 -12 -6 -6 4.61 0.57 12 6 6 6.46 0.70 -12 -6 -7 3.45 0.52 -12 -6 -8 29.58 2.60 -12 -6 -9 5.40 0.62 -12 -6 -10 5.16 0.59 -12 -6 -11 2.62 0.44 -12 -6 -12 3.52 0.51 -12 -7 1 2.91 1.18 -12 -7 1 1.68 1.46 12 7 0 1.58 0.40 12 7 1 14.69 1.34 -12 -7 -2 0.37 0.38 12 7 2 1.25 0.41 -12 -7 -3 10.68 1.00 12 7 3 10.30 0.98 -12 -7 -4 3.15 0.49 12 7 4 3.40 0.50 -12 -7 -5 7.33 0.75 12 7 5 4.47 0.57 -12 -7 -6 12.51 1.15 12 7 6 10.15 0.97 -12 -7 -7 1.93 0.46 -12 -7 -8 3.98 0.55 -12 -7 -9 0.75 0.43 -12 -7 -10 2.25 0.46 -12 -7 -11 4.36 0.56 12 8 1 10.21 0.96 12 8 2 2.12 0.43 -12 -8 -3 0.81 0.39 12 8 3 0.58 0.41 -12 -8 -4 3.28 0.49 12 8 4 5.53 0.63 -12 -8 -5 0.43 0.41 12 8 5 0.56 0.40 -12 -8 -6 13.11 1.22 -12 -8 -7 15.37 1.41 -12 -8 -8 0.69 0.45 -12 -8 -9 5.64 0.65 -12 -8 -10 1.10 0.47 12 9 3 0.83 0.43 -12 -9 -4 4.25 0.55 12 9 4 3.22 0.50 -12 -9 -5 0.01 0.42 12 9 5 -0.18 0.41 -12 -9 -6 9.97 0.99 -12 -9 -7 6.31 0.72 -12 -9 -8 5.05 0.65 -13 2 -5 0.80 2.67 -13 1 -2 -1.25 2.48 -13 1 -3 14.65 2.36 -13 1 -3 6.65 0.72 13 -1 3 6.14 0.66 -13 1 -5 -0.69 2.43 13 -1 5 1.47 1.33 -13 1 -5 0.38 0.39 13 -1 5 1.15 0.41 -13 1 -6 0.99 2.09 13 -1 6 0.96 1.31 -13 1 -6 -0.40 0.37 -13 1 -7 -1.13 1.56 13 -1 7 3.02 1.23 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22.30 1.98 -13 -3 -1 2.41 1.23 -13 -3 -1 2.00 1.29 -13 -3 -1 0.64 0.38 13 3 1 -0.49 0.41 -13 -3 -2 0.02 0.43 -13 -3 -3 -0.93 0.44 13 3 3 1.34 0.41 -13 -3 -4 -0.17 0.42 13 3 4 0.90 0.41 -13 -3 -5 5.05 0.62 13 3 5 5.12 0.59 -13 -3 -6 4.56 0.59 13 3 6 4.73 0.58 -13 -3 -7 2.43 0.48 -13 -3 -8 -0.63 0.43 -13 -3 -9 2.60 0.46 -13 -4 -2 0.67 0.39 13 4 2 -1.12 0.41 -13 -4 -3 -0.54 0.43 13 4 3 0.35 0.40 -13 -4 -4 1.70 0.44 13 4 4 1.80 0.44 13 4 5 -0.26 0.40 -13 -4 -6 0.01 0.45 13 4 6 0.33 0.39 -13 -4 -7 5.08 0.62 -13 -4 -8 2.36 0.45 -13 -4 -9 0.12 0.40 -13 -5 -2 1.13 0.40 -13 -5 -3 4.28 0.55 13 5 3 3.79 0.53 -13 -5 -4 1.90 0.44 13 5 4 -0.61 0.41 -13 -5 -5 -0.66 0.44 13 5 5 0.58 0.41 -13 -5 -6 0.14 0.39 13 5 6 0.66 0.41 -13 -5 -7 2.72 0.49 -13 -5 -8 4.93 0.60 -13 -5 -9 0.56 0.43 -13 -6 -4 3.53 0.52 13 6 4 0.48 0.41 -13 -6 -5 0.11 0.46 13 6 5 -1.11 0.42 -13 -6 -6 -0.03 0.41 13 6 6 1.05 0.39 -13 -6 -7 0.61 0.46 -13 -6 -8 -0.51 0.53 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 9212 _shelx_res_file ; TITL (2) in P-1 shelx.res created by SHELXL-2019/3 at 14:26:00 on 12-Feb-2025 CELL 0.75270 9.8859 12.3021 13.9790 83.480 73.266 81.695 ZERR 4.00 0.0009 0.0011 0.0012 0.009 0.007 0.008 LATT 1 SFAC C H BR N O DISP C 0.0027 0.0018 12.944 DISP H 0 0 0.6262 DISP N 0.0071 0.0037 22.4473 DISP O 0.0124 0.0069 37.6033 DISP Br -0.5973 2.6685 11564.7091 UNIT 68 68 4 8 8 MERG 2 OMIT -5 4 9 OMIT 9 12 11 OMIT 8 5 17 OMIT -6 2 0 OMIT 6 1 1 OMIT 6 5 7 OMIT -6 8 7 OMIT 6 8 8 OMIT 11 1 3 OMIT 6 3 9 OMIT -6 2 5 OMIT 6 11 9 OMIT 11 0 6 OMIT 6 2 11 OMIT 8 12 13 OMIT -6 4 11 OMIT 11 2 9 OMIT 6 6 5 OMIT -6 4 4 OMIT -6 10 8 OMIT 6 5 10 OMIT -5 3 5 OMIT 8 13 11 HTAB N2A O1A HTAB N2B O1B SIZE 0.070 0.090 0.120 ACTA BOND $H CONF L.S. 12 TEMP -173.00 WGHT 0.107900 1.626500 EXTI 0.044078 FVAR 0.25671 MOLE 1 C1A 1 0.433523 0.310573 0.674992 11.00000 0.02736 0.02925 = 0.02691 -0.00473 -0.00684 -0.00171 C2A 1 0.482531 0.411924 0.693152 11.00000 0.02719 0.03163 = 0.02900 -0.00556 -0.00736 -0.00081 C3A 1 0.620493 0.556012 0.624776 11.00000 0.05022 0.03444 = 0.03898 -0.01164 0.00023 -0.01356 AFIX 137 H3AA 2 0.677439 0.585644 0.560006 11.00000 -1.50000 H3AB 2 0.677900 0.543397 0.672504 11.00000 -1.50000 H3AC 2 0.536763 0.608779 0.650156 11.00000 -1.50000 AFIX 0 C4A 1 0.506068 0.250438 0.584758 11.00000 0.02576 0.02583 = 0.02593 -0.00220 -0.00654 -0.00163 C5A 1 0.425974 0.199120 0.539207 11.00000 0.02664 0.03541 = 0.03337 -0.00551 -0.00971 -0.00087 AFIX 43 H5A 2 0.325686 0.203652 0.566444 11.00000 -1.20000 AFIX 0 C6A 1 0.490569 0.142014 0.455278 11.00000 0.03158 0.03419 = 0.03151 -0.00743 -0.00920 -0.00418 AFIX 43 H6A 2 0.435177 0.106993 0.425294 11.00000 -1.20000 AFIX 0 C7A 1 0.636114 0.136076 0.415154 11.00000 0.03651 0.02518 = 0.02628 -0.00452 -0.00600 0.00068 C8A 1 0.719608 0.183169 0.459833 11.00000 0.02636 0.02553 = 0.04124 -0.00545 -0.00494 -0.00209 AFIX 43 H8A 2 0.819991 0.177166 0.432725 11.00000 -1.20000 AFIX 0 C9A 1 0.653446 0.239317 0.545066 11.00000 0.03041 0.02683 = 0.03656 -0.00635 -0.00876 -0.00477 AFIX 43 H9A 2 0.709808 0.270754 0.576918 11.00000 -1.20000 AFIX 0 C10A 1 0.125572 0.274313 0.880358 11.00000 0.02923 0.03188 = 0.02987 -0.00175 -0.00466 0.00098 C11A 1 0.056679 0.323871 0.968287 11.00000 0.04037 0.03512 = 0.03307 -0.00620 -0.00651 -0.00198 AFIX 43 H11A 2 0.092046 0.385259 0.984307 11.00000 -1.20000 AFIX 0 C12A 1 -0.063875 0.284238 1.033156 11.00000 0.04229 0.03651 = 0.02946 -0.00540 -0.00371 -0.00171 C13A 1 -0.114061 0.194888 1.008270 11.00000 0.02979 0.03772 = 0.02596 -0.00149 -0.00299 0.00021 AFIX 43 H13A 2 -0.197025 0.168028 1.052340 11.00000 -1.20000 AFIX 0 C14A 1 -0.046509 0.143584 0.920791 11.00000 0.03070 0.03096 = 0.02926 -0.00107 -0.00892 0.00082 C15A 1 0.075450 0.184450 0.854991 11.00000 0.03179 0.03645 = 0.02375 -0.00480 -0.00708 0.00393 AFIX 43 H15A 2 0.122838 0.151241 0.794216 11.00000 -1.20000 AFIX 0 C16A 1 -0.139145 0.338362 1.128673 11.00000 0.05251 0.05157 = 0.03642 -0.01362 0.00758 -0.00843 AFIX 137 H16C 2 -0.236055 0.368284 1.127359 11.00000 -1.50000 H16D 2 -0.087377 0.398205 1.134887 11.00000 -1.50000 H16E 2 -0.142998 0.283830 1.185948 11.00000 -1.50000 AFIX 0 C17A 1 -0.099988 0.046703 0.895385 11.00000 0.03413 0.03664 = 0.03586 -0.00385 -0.00602 -0.00387 AFIX 137 H17C 2 -0.070369 -0.019532 0.933805 11.00000 -1.50000 H17D 2 -0.060773 0.037247 0.823594 11.00000 -1.50000 H17E 2 -0.204056 0.058564 0.912015 11.00000 -1.50000 AFIX 0 BR1A 3 0.724732 0.061952 0.297558 11.00000 0.04459 0.03519 = 0.03265 -0.01194 -0.00333 0.00094 N1A 4 0.319543 0.272066 0.734237 11.00000 0.03119 0.03215 = 0.02673 -0.00224 -0.00789 0.00108 N2A 4 0.247312 0.317631 0.817486 11.00000 0.03250 0.03098 = 0.03027 -0.00561 -0.00481 -0.00425 O1A 5 0.438289 0.457385 0.770977 11.00000 0.03364 0.03384 = 0.03138 -0.00862 -0.00640 -0.00135 O2A 5 0.575542 0.453577 0.612535 11.00000 0.03791 0.02683 = 0.03238 -0.00698 -0.00334 -0.00609 H2A 2 0.294327 0.375626 0.834792 11.00000 -1.20000 MOLE 2 C1B 1 0.946765 0.339378 0.664780 11.00000 0.02586 0.02628 = 0.02489 -0.00289 -0.00461 -0.00373 C2B 1 1.006119 0.434741 0.684698 11.00000 0.02621 0.02863 = 0.02220 -0.00261 -0.00518 -0.00032 C3B 1 1.195358 0.543390 0.636367 11.00000 0.03173 0.03098 = 0.03391 -0.00449 -0.00685 -0.00671 AFIX 137 H3BA 2 1.285785 0.549359 0.584772 11.00000 -1.50000 H3BB 2 1.212847 0.530187 0.702487 11.00000 -1.50000 H3BC 2 1.131891 0.612029 0.633975 11.00000 -1.50000 AFIX 0 C4B 1 1.016635 0.276281 0.576213 11.00000 0.02359 0.02669 = 0.02532 -0.00585 -0.00310 -0.00171 C5B 1 1.035159 0.161585 0.588378 11.00000 0.02847 0.02701 = 0.02841 -0.00211 -0.00615 -0.00428 AFIX 43 H5B 2 1.003525 0.125356 0.653181 11.00000 -1.20000 AFIX 0 C6B 1 1.099160 0.100091 0.506968 11.00000 0.03220 0.02445 = 0.03444 -0.00525 -0.00777 -0.00500 AFIX 43 H6B 2 1.114012 0.022028 0.516203 11.00000 -1.20000 AFIX 0 C7B 1 1.141568 0.152309 0.412034 11.00000 0.02770 0.03158 = 0.02537 -0.01111 -0.00340 -0.00337 C8B 1 1.123590 0.265594 0.396884 11.00000 0.03145 0.03222 = 0.02570 -0.00410 -0.00503 -0.00618 AFIX 43 H8B 2 1.152827 0.301006 0.331502 11.00000 -1.20000 AFIX 0 C9B 1 1.061869 0.326581 0.479277 11.00000 0.02779 0.02751 = 0.02621 -0.00285 -0.00335 0.00002 AFIX 43 H9B 2 1.049927 0.404698 0.469699 11.00000 -1.20000 AFIX 0 C10B 1 0.646566 0.297486 0.874577 11.00000 0.02555 0.03033 = 0.02385 -0.00383 -0.00391 0.00147 C11B 1 0.579721 0.342784 0.965573 11.00000 0.03224 0.02958 = 0.02520 -0.00516 -0.00319 -0.00349 AFIX 43 H11B 2 0.613998 0.404242 0.982436 11.00000 -1.20000 AFIX 0 C12B 1 0.463670 0.299003 1.031719 11.00000 0.03257 0.03470 = 0.02526 -0.00446 0.00034 -0.00047 C13B 1 0.413590 0.209920 1.004570 11.00000 0.02963 0.03283 = 0.02679 -0.00084 -0.00018 -0.00226 AFIX 43 H13B 2 0.333141 0.180104 1.049162 11.00000 -1.20000 AFIX 0 C14B 1 0.478940 0.163637 0.913457 11.00000 0.02738 0.02820 = 0.03170 -0.00039 -0.00800 -0.00107 C15B 1 0.596664 0.209058 0.848439 11.00000 0.02790 0.02964 = 0.02177 -0.00323 -0.00268 0.00134 AFIX 43 H15B 2 0.642570 0.178951 0.785965 11.00000 -1.20000 AFIX 0 C16B 1 0.391598 0.346312 1.131354 11.00000 0.04590 0.04685 = 0.02918 -0.01307 0.00566 -0.01012 AFIX 137 H16F 2 0.291085 0.370073 1.135972 11.00000 -1.50000 H16G 2 0.437852 0.409619 1.137109 11.00000 -1.50000 H16H 2 0.399070 0.289955 1.185660 11.00000 -1.50000 AFIX 0 C17B 1 0.426924 0.067274 0.885962 11.00000 0.03243 0.03069 = 0.03910 -0.00623 -0.00759 -0.00431 AFIX 137 H17F 2 0.451926 0.067228 0.812845 11.00000 -1.50000 H17G 2 0.323359 0.071899 0.913332 11.00000 -1.50000 H17H 2 0.471205 -0.000818 0.913587 11.00000 -1.50000 AFIX 0 BR1B 3 1.228120 0.067544 0.300797 11.00000 0.04637 0.03675 = 0.03395 -0.01727 -0.00226 -0.00589 N1B 4 0.834225 0.300607 0.726042 11.00000 0.02693 0.02987 = 0.02464 -0.00455 -0.00570 -0.00078 N2B 4 0.763606 0.344966 0.810292 11.00000 0.02762 0.03081 = 0.02279 -0.00787 -0.00200 -0.00236 O1B 5 0.948224 0.491438 0.754592 11.00000 0.03445 0.03194 = 0.03140 -0.00843 -0.00250 -0.00524 O2B 5 1.129881 0.452942 0.618496 11.00000 0.02718 0.02920 = 0.02661 -0.00518 -0.00418 -0.00489 H2B 2 0.792815 0.395660 0.827456 11.00000 -1.20000 HKLF 4 REM (2) in P-1 REM wR2 = 0.1902, GooF = S = 1.074, Restrained GooF = 1.074 for all data REM R1 = 0.0636 for 6338 Fo > 4sig(Fo) and 0.0842 for all 8417 data REM 410 parameters refined using 0 restraints END WGHT 0.1079 1.6265 REM Highest difference peak 1.887, deepest hole -0.942, 1-sigma level 0.124 Q1 1 0.6082 0.0681 0.3009 11.00000 0.05 1.89 Q2 1 0.9009 0.0671 0.3010 11.00000 0.05 1.71 Q3 1 1.0852 0.0677 0.3003 11.00000 0.05 1.70 Q4 1 1.3596 0.0652 0.2985 11.00000 0.05 1.68 Q5 1 1.1186 0.0700 0.2958 11.00000 0.05 1.68 Q6 1 0.6859 0.0748 0.3549 11.00000 0.05 0.75 Q7 1 0.1094 0.2183 0.8686 11.00000 0.05 0.50 Q8 1 0.7561 0.0814 0.2118 11.00000 0.05 0.48 Q9 1 1.0421 0.4567 0.6106 11.00000 0.05 0.47 Q10 1 0.2350 0.2435 0.7535 11.00000 0.05 0.44 Q11 1 1.2781 0.0778 0.3670 11.00000 0.05 0.44 Q12 1 1.2570 0.0959 0.2159 11.00000 0.05 0.44 Q13 1 1.1802 0.0851 0.3602 11.00000 0.05 0.43 Q14 1 0.7971 0.0477 0.3685 11.00000 0.05 0.43 Q15 1 -0.0664 0.0923 0.9120 11.00000 0.05 0.43 Q16 1 0.3311 0.3337 0.7450 11.00000 0.05 0.42 Q17 1 1.3255 0.4566 0.6135 11.00000 0.05 0.40 Q18 1 -0.1526 0.0106 0.9468 11.00000 0.05 0.39 Q19 1 0.4664 0.2972 0.6226 11.00000 0.05 0.39 Q20 1 0.5717 0.1606 0.9155 11.00000 0.05 0.38 ; _shelx_res_checksum 79377 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 C1A 0.4335(3) 0.3106(3) 0.6750(3) 0.0279(6) Uani d 1 . . C C2A 0.4825(3) 0.4119(3) 0.6932(3) 0.0294(7) Uani d 1 . . C C3A 0.6205(4) 0.5560(3) 0.6248(3) 0.0423(9) Uani d 1 . . H H3AA 0.677439 0.585644 0.560006 0.063 Uiso calc 1 . . H H3AB 0.677900 0.543397 0.672504 0.063 Uiso calc 1 . . H H3AC 0.536763 0.608779 0.650156 0.063 Uiso calc 1 . . C C4A 0.5061(3) 0.2504(3) 0.5848(2) 0.0261(6) Uani d 1 . . C C5A 0.4260(3) 0.1991(3) 0.5392(3) 0.0316(7) Uani d 1 . . H H5A 0.325686 0.203652 0.566444 0.038 Uiso calc 1 . . C C6A 0.4906(4) 0.1420(3) 0.4553(3) 0.0319(7) Uani d 1 . . H H6A 0.435177 0.106993 0.425294 0.038 Uiso calc 1 . . C C7A 0.6361(4) 0.1361(3) 0.4152(3) 0.0301(7) Uani d 1 . . C C8A 0.7196(3) 0.1832(3) 0.4598(3) 0.0318(7) Uani d 1 . . H H8A 0.819991 0.177166 0.432725 0.038 Uiso calc 1 . . C C9A 0.6534(3) 0.2393(3) 0.5451(3) 0.0309(7) Uani d 1 . . H H9A 0.709808 0.270754 0.576918 0.037 Uiso calc 1 . . C C10A 0.1256(4) 0.2743(3) 0.8804(3) 0.0316(7) Uani d 1 . . C C11A 0.0567(4) 0.3239(3) 0.9683(3) 0.0369(8) Uani d 1 . . H H11A 0.092046 0.385259 0.984307 0.044 Uiso calc 1 . . C C12A -0.0639(4) 0.2842(3) 1.0332(3) 0.0375(8) Uani d 1 . . C C13A -0.1141(4) 0.1949(3) 1.0083(3) 0.0327(7) Uani d 1 . . H H13A -0.197025 0.168028 1.052340 0.039 Uiso calc 1 . . C C14A -0.0465(4) 0.1436(3) 0.9208(3) 0.0307(7) Uani d 1 . . C C15A 0.0755(4) 0.1845(3) 0.8550(3) 0.0314(7) Uani d 1 . . H H15A 0.122838 0.151241 0.794216 0.038 Uiso calc 1 . . C C16A -0.1391(5) 0.3384(4) 1.1287(3) 0.0500(11) Uani d 1 . . H H16C -0.236055 0.368284 1.127359 0.075 Uiso calc 1 . . H H16D -0.087377 0.398205 1.134887 0.075 Uiso calc 1 . . H H16E -0.142998 0.283830 1.185948 0.075 Uiso calc 1 . . C C17A -0.1000(4) 0.0467(3) 0.8954(3) 0.0363(8) Uani d 1 . . H H17C -0.070369 -0.019532 0.933805 0.054 Uiso calc 1 . . H H17D -0.060773 0.037247 0.823594 0.054 Uiso calc 1 . . H H17E -0.204056 0.058564 0.912015 0.054 Uiso calc 1 . . Br Br1A 0.72473(4) 0.06195(3) 0.29756(3) 0.03885(15) Uani d 1 . . N N1A 0.3195(3) 0.2721(2) 0.7342(2) 0.0305(6) Uani d 1 . . N N2A 0.2473(3) 0.3176(3) 0.8175(2) 0.0318(6) Uani d 1 . . O O1A 0.4383(3) 0.4574(2) 0.7710(2) 0.0333(5) Uani d 1 . . O O2A 0.5755(3) 0.4536(2) 0.6125(2) 0.0331(5) Uani d 1 . . H H2A 0.294(5) 0.376(4) 0.835(4) 0.040 Uiso d 1 . . C C1B 0.9468(3) 0.3394(3) 0.6648(2) 0.0260(6) Uani d 1 . . C C2B 1.0061(3) 0.4347(3) 0.6847(2) 0.0262(6) Uani d 1 . . C C3B 1.1954(4) 0.5434(3) 0.6364(3) 0.0322(7) Uani d 1 . . H H3BA 1.285785 0.549359 0.584772 0.048 Uiso calc 1 . . H H3BB 1.212847 0.530187 0.702487 0.048 Uiso calc 1 . . H H3BC 1.131891 0.612029 0.633975 0.048 Uiso calc 1 . . C C4B 1.0166(3) 0.2763(3) 0.5762(2) 0.0258(6) Uani d 1 . . C C5B 1.0352(3) 0.1616(3) 0.5884(3) 0.0282(6) Uani d 1 . . H H5B 1.003525 0.125356 0.653181 0.034 Uiso calc 1 . . C C6B 1.0992(3) 0.1001(3) 0.5070(3) 0.0303(7) Uani d 1 . . H H6B 1.114012 0.022028 0.516203 0.036 Uiso calc 1 . . C C7B 1.1416(3) 0.1523(3) 0.4120(3) 0.0283(6) Uani d 1 . . C C8B 1.1236(3) 0.2656(3) 0.3969(3) 0.0300(7) Uani d 1 . . H H8B 1.152827 0.301006 0.331502 0.036 Uiso calc 1 . . C C9B 1.0619(3) 0.3266(3) 0.4793(3) 0.0283(6) Uani d 1 . . H H9B 1.049927 0.404698 0.469699 0.034 Uiso calc 1 . . C C10B 0.6466(3) 0.2975(3) 0.8746(3) 0.0275(6) Uani d 1 . . C C11B 0.5797(4) 0.3428(3) 0.9656(3) 0.0298(7) Uani d 1 . . H H11B 0.613998 0.404242 0.982436 0.036 Uiso calc 1 . . C C12B 0.4637(4) 0.2990(3) 1.0317(3) 0.0328(7) Uani d 1 . . C C13B 0.4136(4) 0.2099(3) 1.0046(3) 0.0316(7) Uani d 1 . . H H13B 0.333141 0.180104 1.049162 0.038 Uiso calc 1 . . C C14B 0.4789(3) 0.1636(3) 0.9135(3) 0.0295(7) Uani d 1 . . C C15B 0.5967(3) 0.2091(3) 0.8484(2) 0.0277(6) Uani d 1 . . H H15B 0.642570 0.178951 0.785965 0.033 Uiso calc 1 . . C C16B 0.3916(5) 0.3463(4) 1.1314(3) 0.0427(9) Uani d 1 . . H H16F 0.291085 0.370073 1.135972 0.064 Uiso calc 1 . . H H16G 0.437852 0.409619 1.137109 0.064 Uiso calc 1 . . H H16H 0.399070 0.289955 1.185660 0.064 Uiso calc 1 . . C C17B 0.4269(4) 0.0673(3) 0.8860(3) 0.0342(7) Uani d 1 . . H H17F 0.451926 0.067228 0.812845 0.051 Uiso calc 1 . . H H17G 0.323359 0.071899 0.913332 0.051 Uiso calc 1 . . H H17H 0.471205 -0.000818 0.913587 0.051 Uiso calc 1 . . Br Br1B 1.22812(4) 0.06754(3) 0.30080(3) 0.03961(16) Uani d 1 . . N N1B 0.8342(3) 0.3006(2) 0.7260(2) 0.0275(5) Uani d 1 . . N N2B 0.7636(3) 0.3450(2) 0.8103(2) 0.0278(6) Uani d 1 . . O O1B 0.9482(3) 0.4914(2) 0.7546(2) 0.0334(5) Uani d 1 . . O O2B 1.1299(2) 0.45294(19) 0.61850(18) 0.0279(5) Uani d 1 . . H H2B 0.793(5) 0.396(4) 0.827(4) 0.034 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 C1A 0.0274(14) 0.0292(15) 0.0269(16) -0.0017(11) -0.0068(12) -0.0047(12) C2A 0.0272(14) 0.0316(16) 0.0290(17) -0.0008(12) -0.0074(12) -0.0056(13) C3A 0.050(2) 0.0344(19) 0.039(2) -0.0136(16) 0.0002(17) -0.0116(16) C4A 0.0258(14) 0.0258(14) 0.0259(16) -0.0016(11) -0.0065(11) -0.0022(12) C5A 0.0266(14) 0.0354(17) 0.0334(18) -0.0009(12) -0.0097(13) -0.0055(14) C6A 0.0316(16) 0.0342(17) 0.0315(18) -0.0042(12) -0.0092(13) -0.0074(14) C7A 0.0365(16) 0.0252(15) 0.0263(16) 0.0007(12) -0.0060(13) -0.0045(12) C8A 0.0264(14) 0.0255(15) 0.041(2) -0.0021(11) -0.0049(13) -0.0054(13) C9A 0.0304(15) 0.0268(15) 0.0366(19) -0.0048(12) -0.0088(13) -0.0063(13) C10A 0.0292(15) 0.0319(16) 0.0299(17) 0.0010(12) -0.0047(13) -0.0017(13) C11A 0.0404(18) 0.0351(18) 0.0331(19) -0.0020(14) -0.0065(15) -0.0062(15) C12A 0.0423(19) 0.0365(18) 0.0295(18) -0.0017(14) -0.0037(14) -0.0054(14) C13A 0.0298(15) 0.0377(18) 0.0260(17) 0.0002(13) -0.0030(12) -0.0015(13) C14A 0.0307(15) 0.0310(16) 0.0293(17) 0.0008(12) -0.0089(13) -0.0011(13) C15A 0.0318(16) 0.0364(17) 0.0237(16) 0.0039(13) -0.0071(12) -0.0048(13) C16A 0.053(2) 0.052(2) 0.036(2) -0.0084(19) 0.0076(18) -0.0136(19) C17A 0.0341(17) 0.0366(18) 0.036(2) -0.0039(14) -0.0060(14) -0.0038(15) Br1A 0.0446(2) 0.0352(2) 0.0327(2) 0.00094(15) -0.00333(16) -0.01194(15) N1A 0.0312(13) 0.0321(14) 0.0267(14) 0.0011(11) -0.0079(11) -0.0022(11) N2A 0.0325(14) 0.0310(14) 0.0303(15) -0.0042(11) -0.0048(11) -0.0056(12) O1A 0.0336(12) 0.0338(13) 0.0314(13) -0.0013(9) -0.0064(10) -0.0086(10) O2A 0.0379(13) 0.0268(11) 0.0324(13) -0.0061(9) -0.0033(10) -0.0070(10) C1B 0.0259(13) 0.0263(14) 0.0249(15) -0.0037(11) -0.0046(11) -0.0029(12) C2B 0.0262(14) 0.0286(15) 0.0222(15) -0.0003(11) -0.0052(11) -0.0026(12) C3B 0.0317(16) 0.0310(16) 0.0339(18) -0.0067(12) -0.0069(13) -0.0045(13) C4B 0.0236(13) 0.0267(15) 0.0253(15) -0.0017(11) -0.0031(11) -0.0058(12) C5B 0.0285(14) 0.0270(15) 0.0284(16) -0.0043(11) -0.0061(12) -0.0021(12) C6B 0.0322(15) 0.0244(14) 0.0344(18) -0.0050(11) -0.0078(13) -0.0052(13) C7B 0.0277(14) 0.0316(16) 0.0254(16) -0.0034(12) -0.0034(12) -0.0111(13) C8B 0.0315(15) 0.0322(16) 0.0257(16) -0.0062(12) -0.0050(12) -0.0041(13) C9B 0.0278(14) 0.0275(15) 0.0262(16) 0.0000(11) -0.0033(12) -0.0029(12) C10B 0.0256(14) 0.0303(15) 0.0238(16) 0.0015(11) -0.0039(11) -0.0038(12) C11B 0.0322(15) 0.0296(16) 0.0252(16) -0.0035(12) -0.0032(12) -0.0052(12) C12B 0.0326(16) 0.0347(17) 0.0253(17) -0.0005(13) 0.0003(13) -0.0045(13) C13B 0.0296(15) 0.0328(17) 0.0268(17) -0.0023(12) -0.0002(12) -0.0008(13) C14B 0.0274(14) 0.0282(15) 0.0317(17) -0.0011(11) -0.0080(12) -0.0004(13) C15B 0.0279(14) 0.0296(15) 0.0218(15) 0.0013(11) -0.0027(11) -0.0032(12) C16B 0.046(2) 0.047(2) 0.0292(19) -0.0101(17) 0.0057(15) -0.0131(16) C17B 0.0324(16) 0.0307(17) 0.039(2) -0.0043(13) -0.0076(14) -0.0062(14) Br1B 0.0464(2) 0.0367(2) 0.0340(2) -0.00589(15) -0.00226(16) -0.01727(16) N1B 0.0269(12) 0.0299(13) 0.0246(14) -0.0008(10) -0.0057(10) -0.0046(11) N2B 0.0276(13) 0.0308(14) 0.0228(14) -0.0024(10) -0.0020(10) -0.0079(11) O1B 0.0344(12) 0.0319(12) 0.0314(13) -0.0052(9) -0.0025(10) -0.0084(10) O2B 0.0272(11) 0.0292(11) 0.0266(12) -0.0049(8) -0.0042(9) -0.0052(9) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0027 0.0018 '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' Br Br -0.5973 2.6685 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0071 0.0037 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0124 0.0069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag N1A C1A C2A . . 122.2(3) ? N1A C1A C4A . . 116.2(3) ? C2A C1A C4A . . 121.6(3) ? O1A C2A O2A . . 122.7(3) ? O1A C2A C1A . . 124.4(3) ? O2A C2A C1A . . 112.9(3) ? O2A C3A H3AA . . 109.5 ? O2A C3A H3AB . . 109.5 ? H3AA C3A H3AB . . 109.5 ? O2A C3A H3AC . . 109.5 ? H3AA C3A H3AC . . 109.5 ? H3AB C3A H3AC . . 109.5 ? C9A C4A C5A . . 118.2(3) ? C9A C4A C1A . . 122.2(3) ? C5A C4A C1A . . 119.6(3) ? C6A C5A C4A . . 120.9(3) ? C6A C5A H5A . . 119.5 ? C4A C5A H5A . . 119.5 ? C5A C6A C7A . . 119.6(3) ? C5A C6A H6A . . 120.2 ? C7A C6A H6A . . 120.2 ? C6A C7A C8A . . 121.1(3) ? C6A C7A Br1A . . 119.8(3) ? C8A C7A Br1A . . 119.0(3) ? C7A C8A C9A . . 118.7(3) ? C7A C8A H8A . . 120.7 ? C9A C8A H8A . . 120.7 ? C8A C9A C4A . . 121.3(3) ? C8A C9A H9A . . 119.3 ? C4A C9A H9A . . 119.3 ? C11A C10A C15A . . 121.0(3) ? C11A C10A N2A . . 117.9(3) ? C15A C10A N2A . . 121.1(3) ? C10A C11A C12A . . 120.2(4) ? C10A C11A H11A . . 119.9 ? C12A C11A H11A . . 119.9 ? C13A C12A C11A . . 119.0(3) ? C13A C12A C16A . . 120.7(4) ? C11A C12A C16A . . 120.3(4) ? C12A C13A C14A . . 121.8(3) ? C12A C13A H13A . . 119.1 ? C14A C13A H13A . . 119.1 ? C13A C14A C15A . . 119.0(3) ? C13A C14A C17A . . 121.4(3) ? C15A C14A C17A . . 119.6(3) ? C10A C15A C14A . . 119.0(3) ? C10A C15A H15A . . 120.5 ? C14A C15A H15A . . 120.5 ? C12A C16A H16C . . 109.5 ? C12A C16A H16D . . 109.5 ? H16C C16A H16D . . 109.5 ? C12A C16A H16E . . 109.5 ? H16C C16A H16E . . 109.5 ? H16D C16A H16E . . 109.5 ? C14A C17A H17C . . 109.5 ? C14A C17A H17D . . 109.5 ? H17C C17A H17D . . 109.5 ? C14A C17A H17E . . 109.5 ? H17C C17A H17E . . 109.5 ? H17D C17A H17E . . 109.5 ? C1A N1A N2A . . 121.7(3) ? N1A N2A C10A . . 120.6(3) ? N1A N2A H2A . . 114(3) ? C10A N2A H2A . . 125(3) ? C2A O2A C3A . . 115.0(3) ? N1B C1B C2B . . 123.0(3) ? N1B C1B C4B . . 115.2(3) ? C2B C1B C4B . . 121.7(3) ? O1B C2B O2B . . 123.4(3) ? O1B C2B C1B . . 123.4(3) ? O2B C2B C1B . . 113.2(3) ? O2B C3B H3BA . . 109.5 ? O2B C3B H3BB . . 109.5 ? H3BA C3B H3BB . . 109.5 ? O2B C3B H3BC . . 109.5 ? H3BA C3B H3BC . . 109.5 ? H3BB C3B H3BC . . 109.5 ? C5B C4B C9B . . 118.0(3) ? C5B C4B C1B . . 119.1(3) ? C9B C4B C1B . . 122.8(3) ? C6B C5B C4B . . 120.6(3) ? C6B C5B H5B . . 119.7 ? C4B C5B H5B . . 119.7 ? C5B C6B C7B . . 119.9(3) ? C5B C6B H6B . . 120.0 ? C7B C6B H6B . . 120.0 ? C8B C7B C6B . . 121.1(3) ? C8B C7B Br1B . . 119.1(3) ? C6B C7B Br1B . . 119.7(3) ? C7B C8B C9B . . 118.4(3) ? C7B C8B H8B . . 120.8 ? C9B C8B H8B . . 120.8 ? C8B C9B C4B . . 121.8(3) ? C8B C9B H9B . . 119.1 ? C4B C9B H9B . . 119.1 ? C15B C10B C11B . . 120.4(3) ? C15B C10B N2B . . 121.4(3) ? C11B C10B N2B . . 118.2(3) ? C12B C11B C10B . . 120.5(3) ? C12B C11B H11B . . 119.7 ? C10B C11B H11B . . 119.7 ? C11B C12B C13B . . 118.7(3) ? C11B C12B C16B . . 121.0(3) ? C13B C12B C16B . . 120.2(3) ? C14B C13B C12B . . 121.6(3) ? C14B C13B H13B . . 119.2 ? C12B C13B H13B . . 119.2 ? C13B C14B C15B . . 118.4(3) ? C13B C14B C17B . . 121.3(3) ? C15B C14B C17B . . 120.3(3) ? C10B C15B C14B . . 120.4(3) ? C10B C15B H15B . . 119.8 ? C14B C15B H15B . . 119.8 ? C12B C16B H16F . . 109.5 ? C12B C16B H16G . . 109.5 ? H16F C16B H16G . . 109.5 ? C12B C16B H16H . . 109.5 ? H16F C16B H16H . . 109.5 ? H16G C16B H16H . . 109.5 ? C14B C17B H17F . . 109.5 ? C14B C17B H17G . . 109.5 ? H17F C17B H17G . . 109.5 ? C14B C17B H17H . . 109.5 ? H17F C17B H17H . . 109.5 ? H17G C17B H17H . . 109.5 ? C1B N1B N2B . . 122.5(3) ? N1B N2B C10B . . 119.9(3) ? N1B N2B H2B . . 120(3) ? C10B N2B H2B . . 120(3) ? C2B O2B C3B . . 115.6(3) ? 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 C1A N1A . 1.307(4) ? C1A C2A . 1.473(5) ? C1A C4A . 1.480(5) ? C2A O1A . 1.217(4) ? C2A O2A . 1.337(4) ? C3A O2A . 1.439(4) ? C3A H3AA . 0.9800 ? C3A H3AB . 0.9800 ? C3A H3AC . 0.9800 ? C4A C9A . 1.394(4) ? C4A C5A . 1.399(4) ? C5A C6A . 1.380(5) ? C5A H5A . 0.9500 ? C6A C7A . 1.380(5) ? C6A H6A . 0.9500 ? C7A C8A . 1.387(5) ? C7A Br1A . 1.893(3) ? C8A C9A . 1.390(5) ? C8A H8A . 0.9500 ? C9A H9A . 0.9500 ? C10A C11A . 1.384(5) ? C10A C15A . 1.393(5) ? C10A N2A . 1.405(4) ? C11A C12A . 1.388(5) ? C11A H11A . 0.9500 ? C12A C13A . 1.385(5) ? C12A C16A . 1.505(5) ? C13A C14A . 1.387(5) ? C13A H13A . 0.9500 ? C14A C15A . 1.409(5) ? C14A C17A . 1.487(5) ? C15A H15A . 0.9500 ? C16A H16C . 0.9800 ? C16A H16D . 0.9800 ? C16A H16E . 0.9800 ? C17A H17C . 0.9800 ? C17A H17D . 0.9800 ? C17A H17E . 0.9800 ? N1A N2A . 1.316(4) ? N2A H2A . 0.99(5) ? C1B N1B . 1.308(4) ? C1B C2B . 1.471(4) ? C1B C4B . 1.478(4) ? C2B O1B . 1.219(4) ? C2B O2B . 1.336(4) ? C3B O2B . 1.444(4) ? C3B H3BA . 0.9800 ? C3B H3BB . 0.9800 ? C3B H3BC . 0.9800 ? C4B C5B . 1.394(4) ? C4B C9B . 1.400(5) ? C5B C6B . 1.382(5) ? C5B H5B . 0.9500 ? C6B C7B . 1.383(5) ? C6B H6B . 0.9500 ? C7B C8B . 1.379(5) ? C7B Br1B . 1.893(3) ? C8B C9B . 1.386(4) ? C8B H8B . 0.9500 ? C9B H9B . 0.9500 ? C10B C15B . 1.382(5) ? C10B C11B . 1.391(5) ? C10B N2B . 1.402(4) ? C11B C12B . 1.384(5) ? C11B H11B . 0.9500 ? C12B C13B . 1.396(5) ? C12B C16B . 1.510(5) ? C13B C14B . 1.396(5) ? C13B H13B . 0.9500 ? C14B C15B . 1.399(5) ? C14B C17B . 1.487(5) ? C15B H15B . 0.9500 ? C16B H16F . 0.9800 ? C16B H16G . 0.9800 ? C16B H16H . 0.9800 ? C17B H17F . 0.9800 ? C17B H17G . 0.9800 ? C17B H17H . 0.9800 ? N1B N2B . 1.317(4) ? N2B H2B . 0.81(5) ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag N2A H2A O1A . 1.00(5) 1.82(5) 2.631(4) 136(4) yes N2B H2B O1B . 0.81(5) 2.03(5) 2.645(4) 133(5) yes C9A H9A O2A . 0.95 2.47 2.827(4) 102 yes C9B H9B O2B . 0.95 2.58 2.898(4) 100 yes C5A H5A Cg3 1_455 0.95 2.88 3.637(4) 137 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag N1A C1A C2A O1A . . . . 13.0(5) ? C4A C1A C2A O1A . . . . -170.9(3) ? N1A C1A C2A O2A . . . . -163.1(3) ? C4A C1A C2A O2A . . . . 13.0(4) ? N1A C1A C4A C9A . . . . -145.6(3) ? C2A C1A C4A C9A . . . . 38.1(5) ? N1A C1A C4A C5A . . . . 32.0(5) ? C2A C1A C4A C5A . . . . -144.4(3) ? C9A C4A C5A C6A . . . . -2.1(5) ? C1A C4A C5A C6A . . . . -179.7(3) ? C4A C5A C6A C7A . . . . -0.5(5) ? C5A C6A C7A C8A . . . . 2.4(5) ? C5A C6A C7A Br1A . . . . -178.0(3) ? C6A C7A C8A C9A . . . . -1.6(5) ? Br1A C7A C8A C9A . . . . 178.8(3) ? C7A C8A C9A C4A . . . . -1.1(5) ? C5A C4A C9A C8A . . . . 2.9(5) ? C1A C4A C9A C8A . . . . -179.6(3) ? C15A C10A C11A C12A . . . . 0.3(6) ? N2A C10A C11A C12A . . . . -179.9(3) ? C10A C11A C12A C13A . . . . -0.2(6) ? C10A C11A C12A C16A . . . . -179.8(4) ? C11A C12A C13A C14A . . . . 0.5(6) ? C16A C12A C13A C14A . . . . -179.9(4) ? C12A C13A C14A C15A . . . . -0.8(5) ? C12A C13A C14A C17A . . . . 179.1(4) ? C11A C10A C15A C14A . . . . -0.5(5) ? N2A C10A C15A C14A . . . . 179.6(3) ? C13A C14A C15A C10A . . . . 0.8(5) ? C17A C14A C15A C10A . . . . -179.1(3) ? C2A C1A N1A N2A . . . . -4.7(5) ? C4A C1A N1A N2A . . . . 179.0(3) ? C1A N1A N2A C10A . . . . -179.6(3) ? C11A C10A N2A N1A . . . . 178.1(3) ? C15A C10A N2A N1A . . . . -2.0(5) ? O1A C2A O2A C3A . . . . 0.4(5) ? C1A C2A O2A C3A . . . . 176.7(3) ? N1B C1B C2B O1B . . . . -7.1(5) ? C4B C1B C2B O1B . . . . 176.8(3) ? N1B C1B C2B O2B . . . . 172.9(3) ? C4B C1B C2B O2B . . . . -3.2(4) ? N1B C1B C4B C5B . . . . -43.2(4) ? C2B C1B C4B C5B . . . . 133.2(3) ? N1B C1B C4B C9B . . . . 134.9(3) ? C2B C1B C4B C9B . . . . -48.7(5) ? C9B C4B C5B C6B . . . . 1.3(5) ? C1B C4B C5B C6B . . . . 179.5(3) ? C4B C5B C6B C7B . . . . -1.9(5) ? C5B C6B C7B C8B . . . . 1.2(5) ? C5B C6B C7B Br1B . . . . -179.6(2) ? C6B C7B C8B C9B . . . . 0.1(5) ? Br1B C7B C8B C9B . . . . -179.1(2) ? C7B C8B C9B C4B . . . . -0.6(5) ? C5B C4B C9B C8B . . . . -0.1(5) ? C1B C4B C9B C8B . . . . -178.2(3) ? C15B C10B C11B C12B . . . . 0.9(5) ? N2B C10B C11B C12B . . . . 180.0(3) ? C10B C11B C12B C13B . . . . -1.1(5) ? C10B C11B C12B C16B . . . . 179.1(4) ? C11B C12B C13B C14B . . . . 0.9(5) ? C16B C12B C13B C14B . . . . -179.3(4) ? C12B C13B C14B C15B . . . . -0.4(5) ? C12B C13B C14B C17B . . . . 178.7(3) ? C11B C10B C15B C14B . . . . -0.4(5) ? N2B C10B C15B C14B . . . . -179.5(3) ? C13B C14B C15B C10B . . . . 0.2(5) ? C17B C14B C15B C10B . . . . -178.9(3) ? C2B C1B N1B N2B . . . . 0.9(5) ? C4B C1B N1B N2B . . . . 177.2(3) ? C1B N1B N2B C10B . . . . -177.8(3) ? C15B C10B N2B N1B . . . . -4.6(5) ? C11B C10B N2B N1B . . . . 176.3(3) ? O1B C2B O2B C3B . . . . 2.0(5) ? C1B C2B O2B C3B . . . . -178.0(3) ?