#------------------------------------------------------------------------------ #$Date: 2024-07-09 05:03:07 +0300 (Tue, 09 Jul 2024) $ #$Revision: 293325 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/25/2312543.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_2312543 loop_ _publ_author_name 'Ma, Yu Heng' 'Yang, Kang' 'Qian, Yan Ling' 'Hong, Wei Pu' 'Zhang, Kai Yue' 'Tao, Zhen Wei' 'Meng, Hui' 'Ma, Wen Jing' _publ_section_title ; Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib. ; _journal_coeditor_code YP3237 _journal_issue 8 _journal_name_full 'Acta crystallographica. Section C, Structural chemistry' _journal_paper_doi 10.1107/S2053229624006193 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac 'C18 H15 Cl N2 O2 S, C7 H5 N O4' _chemical_formula_moiety 'C18 H15 Cl N2 O2 S, C7 H5 N O4' _chemical_formula_sum 'C25 H20 Cl N3 O6 S' _chemical_formula_weight 525.95 _chemical_name_common ; Etoricoxib--4-nitrobenzoic acid (1/1) ; _chemical_name_systematic '5-Chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine--4-nitrobenzoic acid (1/1)' _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 geom _atom_sites_solution_primary dual _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _cell_angle_alpha 93.03(3) _cell_angle_beta 91.61(3) _cell_angle_gamma 111.17(3) _cell_formula_units_Z 2 _cell_length_a 7.4890(15) _cell_length_b 8.3020(17) _cell_length_c 21.384(4) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 13 _cell_measurement_theta_min 9 _cell_volume 1236.5(5) _computing_cell_refinement ; CAD-4 Software (Enraf--Nonius, 1985) ; _computing_data_collection ; CAD-4 Software (Enraf--Nonius, 1985) ; _computing_data_reduction ; XCAD4 (Harms & Wocadlo, 1995) ; _computing_molecular_graphics ; OLEX2 (Dolomanov et al., 2009) and ORTEP-3 for Windows (Farrugia, 2012) ; _computing_publication_material ; OLEX2 (Dolomanov et al., 2009) and PLATON (Spek, 2020) ; _computing_structure_refinement ; olex2.refine (Bourhis et al., 2015) and SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Nonius CAD4' _diffrn_measurement_method \w/2\q _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0199 _diffrn_reflns_av_unetI/netI 0.0396 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 4893 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.390 _diffrn_reflns_theta_min 1.910 _diffrn_standards_decay_% 1 _diffrn_standards_interval_count 200 _diffrn_standards_interval_time 2h _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 0.285 _exptl_absorpt_correction_T_max 0.9720 _exptl_absorpt_correction_T_min 0.9193 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details ; (North et al., 1968) ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.413 _exptl_crystal_description needle _exptl_crystal_F_000 544 _exptl_crystal_size_max 0.36 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.08 _refine_diff_density_max 0.265 _refine_diff_density_min -0.373 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.040 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 328 _refine_ls_number_reflns 4518 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.040 _refine_ls_R_factor_all 0.0865 _refine_ls_R_factor_gt 0.0577 _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^)+(0.0798P)^2^+0.5419P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1381 _refine_ls_wR_factor_ref 0.1580 _reflns_number_gt 3212 _reflns_number_total 4518 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file yp3237sup1.cif _cod_data_source_block etr-pnb _cod_database_code 2312543 _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 0.427 _shelx_estimated_absorpt_t_max 0.978 _shelx_hkl_file ; 2 -1 -25 1.05 3.00 1 -1 -25 -4.77 3.01 0 -1 -25 -1.88 2.77 0 0 -25 32.91 4.15 1 0 -25 35.43 4.04 2 0 -25 -0.42 2.44 2 1 -25 1.27 2.75 1 1 -25 8.65 2.52 0 1 -25 -4.69 2.75 0 2 -25 46.83 4.33 1 2 -25 2.11 2.56 0 4 -24 0.64 2.74 0 3 -24 -0.61 2.74 1 3 -24 -0.41 2.14 2 2 -24 27.94 3.46 1 2 -24 18.32 3.06 0 2 -24 -3.72 2.75 0 1 -24 -1.35 2.74 1 1 -24 -1.17 2.33 2 1 -24 2.01 2.59 3 1 -24 -2.54 2.79 3 0 -24 0.62 2.41 2 0 -24 2.18 2.61 1 0 -24 7.35 3.04 0 0 -24 10.03 3.40 0 -1 -24 -28.34 4.57 1 -1 -24 -9.20 3.19 2 -1 -24 2.79 3.02 3 -1 -24 -0.83 2.50 3 -2 -24 17.03 3.15 2 -2 -24 24.47 3.53 1 -2 -24 -1.82 2.90 0 -2 -24 -1.02 2.93 1 -3 -24 9.52 2.95 2 -3 -24 3.82 2.70 2 -4 -23 9.14 2.51 3 -3 -23 11.74 3.05 2 -3 -23 8.04 2.68 1 -3 -23 35.85 4.44 0 -3 -23 8.78 2.84 0 -2 -23 1.35 1.84 1 -2 -23 48.04 4.43 2 -2 -23 2.50 2.46 3 -2 -23 1.39 3.13 4 -2 -23 2.52 2.57 4 -1 -23 3.96 2.94 3 -1 -23 -1.96 2.90 2 -1 -23 3.20 2.72 1 -1 -23 21.41 3.01 0 -1 -23 37.47 4.65 0 0 -23 2.18 2.63 1 0 -23 1.82 2.12 2 0 -23 4.87 2.12 3 0 -23 9.64 3.05 4 0 -23 15.99 2.99 3 1 -23 -1.81 2.38 2 1 -23 0.00 2.46 1 1 -23 0.18 2.38 0 1 -23 3.81 2.53 0 2 -23 -0.92 2.32 1 2 -23 -0.19 2.39 2 2 -23 1.57 2.37 3 2 -23 5.42 2.90 2 3 -23 1.24 2.52 1 3 -23 2.95 2.02 0 3 -23 23.21 3.61 0 4 -23 45.74 4.02 1 4 -23 0.21 2.46 0 5 -22 23.73 3.61 2 4 -22 7.54 3.20 1 4 -22 -0.99 2.34 0 4 -22 -2.69 2.81 0 3 -22 35.18 3.65 1 3 -22 1.49 2.39 2 3 -22 51.49 4.06 3 3 -22 37.09 3.72 3 2 -22 -3.96 2.73 2 2 -22 7.62 2.44 1 2 -22 19.02 3.01 0 2 -22 32.05 3.76 0 1 -22 -1.02 2.25 1 1 -22 -3.63 2.49 2 1 -22 12.73 2.81 3 1 -22 10.28 2.47 4 1 -22 4.94 2.76 4 0 -22 2.80 2.56 3 0 -22 5.58 1.93 2 0 -22 3.18 2.07 1 0 -22 5.14 3.33 0 0 -22 -0.51 2.56 0 -1 -22 -6.29 3.61 1 -1 -22 -5.74 3.08 2 -1 -22 -0.18 3.61 3 -1 -22 46.20 4.49 4 -1 -22 3.96 2.49 4 -2 -22 1.00 2.12 3 -2 -22 14.52 3.16 2 -2 -22 4.00 2.81 1 -2 -22 -0.36 2.74 0 -2 -22 6.56 2.64 0 -3 -22 -0.19 2.45 1 -3 -22 3.41 2.63 2 -3 -22 9.89 2.93 3 -3 -22 7.42 2.54 4 -3 -22 -6.35 2.83 3 -4 -22 20.13 3.27 2 -4 -22 8.27 3.12 1 -4 -22 4.05 2.91 0 -4 -22 11.84 3.07 3 -5 -21 2.30 2.75 2 -5 -21 16.11 3.32 1 -5 -21 1.46 2.46 0 -4 -21 6.71 2.67 1 -4 -21 14.41 3.57 2 -4 -21 -0.58 2.55 3 -4 -21 3.51 2.29 4 -4 -21 21.35 3.36 5 -3 -21 3.55 2.97 4 -3 -21 7.01 2.90 3 -3 -21 1.66 2.29 2 -3 -21 12.22 2.96 1 -3 -21 62.98 4.51 0 -3 -21 -0.55 2.55 0 -2 -21 49.59 3.99 1 -2 -21 -1.86 2.46 2 -2 -21 -5.49 2.93 3 -2 -21 12.30 2.95 4 -2 -21 3.22 2.54 5 -2 -21 -4.10 2.83 5 -1 -21 0.20 2.62 4 -1 -21 23.69 3.48 3 -1 -21 38.75 4.21 2 -1 -21 23.40 4.26 1 -1 -21 -83.15 6.08 0 -1 -21 88.81 4.68 0 0 -21 5.45 2.74 1 0 -21 17.88 4.33 2 0 -21 0.83 2.23 3 0 -21 11.80 2.73 4 0 -21 13.88 3.10 5 0 -21 2.92 2.62 4 1 -21 -1.18 2.25 3 1 -21 14.79 2.85 2 1 -21 38.92 3.43 1 1 -21 13.65 2.42 0 1 -21 3.37 2.44 0 2 -21 116.90 5.36 1 2 -21 -0.67 2.19 2 2 -21 -0.70 2.41 3 2 -21 38.24 4.07 4 2 -21 0.20 2.31 3 3 -21 7.00 2.81 2 3 -21 0.00 2.62 1 3 -21 35.99 3.94 0 3 -21 -2.74 2.76 0 4 -21 8.56 2.35 1 4 -21 2.83 2.24 2 4 -21 30.95 3.82 1 5 -21 -0.41 2.49 0 5 -21 6.88 2.67 0 6 -20 2.46 2.31 0 5 -20 3.18 2.33 1 5 -20 3.91 2.55 2 5 -20 28.27 3.93 3 4 -20 3.50 2.41 2 4 -20 8.00 2.42 1 4 -20 26.91 3.35 0 4 -20 3.11 2.54 0 3 -20 46.71 3.82 1 3 -20 109.12 5.34 2 3 -20 -2.12 2.67 3 3 -20 -0.19 2.46 4 3 -20 8.15 2.83 4 2 -20 0.59 2.33 3 2 -20 0.36 2.25 2 2 -20 4.99 2.27 1 2 -20 0.00 2.42 0 2 -20 -1.23 2.25 0 1 -20 210.78 6.45 1 1 -20 3.36 2.23 2 1 -20 6.22 1.85 3 1 -20 5.13 2.17 4 1 -20 -0.75 2.34 5 1 -20 -1.45 2.72 5 0 -20 -2.99 2.46 4 0 -20 24.03 3.32 3 0 -20 2.83 1.99 2 0 -20 7.51 3.23 1 0 -20 247.50 7.20 0 0 -20 10.52 2.91 0 -1 -20 -3.23 2.12 1 -1 -20 111.77 5.62 2 -1 -20 -0.94 3.83 3 -1 -20 23.84 3.32 4 -1 -20 0.18 2.67 5 -1 -20 9.19 2.75 5 -2 -20 5.67 2.13 4 -2 -20 11.87 2.71 3 -2 -20 -0.17 2.50 2 -2 -20 153.85 6.10 1 -2 -20 30.74 3.29 0 -2 -20 -1.29 2.04 0 -3 -20 18.12 3.39 1 -3 -20 5.57 2.53 2 -3 -20 -0.68 2.25 3 -3 -20 -0.53 2.12 4 -3 -20 2.96 2.47 5 -3 -20 1.00 2.75 5 -4 -20 22.68 3.29 4 -4 -20 3.29 2.63 3 -4 -20 1.67 2.29 2 -4 -20 3.27 1.99 1 -4 -20 45.14 3.97 0 -4 -20 18.53 3.38 0 -5 -20 -2.26 2.67 1 -5 -20 0.00 2.80 2 -5 -20 -0.39 2.62 3 -5 -20 1.00 2.17 4 -5 -20 2.06 2.40 1 -6 -19 12.13 3.46 2 -6 -19 -0.21 2.41 3 -6 -19 11.99 2.98 4 -6 -19 2.12 2.58 5 -5 -19 3.32 2.72 4 -5 -19 16.49 2.93 3 -5 -19 2.65 2.38 2 -5 -19 4.68 2.52 1 -5 -19 -0.19 2.57 0 -5 -19 63.34 5.07 0 -4 -19 4.44 2.82 1 -4 -19 12.76 2.84 2 -4 -19 20.79 3.27 3 -4 -19 -0.88 2.16 4 -4 -19 5.53 2.43 5 -4 -19 3.94 2.95 6 -3 -19 -3.54 2.80 5 -3 -19 5.89 2.55 4 -3 -19 0.53 2.13 3 -3 -19 9.94 2.29 2 -3 -19 65.17 4.18 1 -3 -19 -1.27 2.01 0 -3 -19 0.49 2.31 0 -2 -19 4.55 2.23 1 -2 -19 62.07 3.79 2 -2 -19 7.91 2.75 3 -2 -19 40.24 3.66 4 -2 -19 3.58 1.98 5 -2 -19 -4.29 2.51 6 -2 -19 -2.89 2.89 6 -1 -19 54.94 4.53 5 -1 -19 0.56 2.26 4 -1 -19 17.94 2.58 3 -1 -19 33.74 3.47 2 -1 -19 -0.30 3.46 1 -1 -19 73.97 4.36 0 -1 -19 19.48 2.61 0 0 -19 34.59 3.37 1 0 -19 -7.36 3.29 2 0 -19 251.40 7.13 3 0 -19 2.04 2.11 4 0 -19 25.91 3.31 5 0 -19 32.55 3.74 5 1 -19 14.04 2.78 4 1 -19 -2.66 2.06 3 1 -19 2.59 1.80 2 1 -19 8.56 2.10 1 1 -19 0.00 2.01 0 1 -19 24.06 3.15 0 2 -19 131.78 5.91 1 2 -19 91.22 4.68 2 2 -19 2.67 1.95 3 2 -19 42.16 3.52 4 2 -19 3.00 2.23 5 2 -19 -2.09 2.86 4 3 -19 14.63 2.78 3 3 -19 2.00 2.08 2 3 -19 -0.67 2.22 1 3 -19 132.79 5.85 0 3 -19 51.49 3.79 0 4 -19 8.67 2.40 1 4 -19 5.62 2.31 2 4 -19 40.88 3.74 3 4 -19 12.03 3.28 2 5 -19 27.49 3.55 1 5 -19 18.66 2.88 0 5 -19 11.78 2.73 0 6 -19 -3.54 2.85 1 6 -19 -0.41 2.46 0 7 -18 1.26 2.52 2 6 -18 0.85 2.92 1 6 -18 13.48 2.80 0 6 -18 2.07 2.35 0 5 -18 25.50 3.12 1 5 -18 6.95 2.49 2 5 -18 1.34 2.77 3 5 -18 2.91 2.85 4 4 -18 1.46 2.41 3 4 -18 -0.95 2.50 2 4 -18 20.80 3.48 1 4 -18 -2.59 2.18 0 4 -18 -1.55 2.26 0 3 -18 75.88 4.23 1 3 -18 41.41 3.67 2 3 -18 85.23 4.41 3 3 -18 1.73 2.11 4 3 -18 2.50 2.50 5 2 -18 5.21 2.42 4 2 -18 8.05 2.54 3 2 -18 36.16 3.20 2 2 -18 2.08 2.00 1 2 -18 168.93 5.74 0 2 -18 653.36 10.53 0 1 -18 -2.76 1.97 1 1 -18 79.86 4.02 2 1 -18 0.57 1.98 3 1 -18 7.65 2.26 4 1 -18 13.70 2.70 5 1 -18 3.22 2.36 6 0 -18 -1.64 3.00 5 0 -18 90.41 5.10 4 0 -18 12.22 2.86 3 0 -18 12.30 2.48 2 0 -18 -4.55 2.30 1 0 -18 34.38 3.04 0 0 -18 8.79 2.86 0 -1 -18 2.70 1.82 1 -1 -18 -7.39 2.71 2 -1 -18 26.17 3.02 3 -1 -18 25.47 2.97 4 -1 -18 12.84 2.30 5 -1 -18 25.63 2.99 6 -1 -18 0.20 2.73 6 -2 -18 3.17 2.55 5 -2 -18 5.15 2.25 4 -2 -18 -1.94 2.10 3 -2 -18 19.05 2.50 2 -2 -18 -3.57 2.21 1 -2 -18 -3.37 2.28 0 -2 -18 51.11 3.60 0 -3 -18 129.85 5.59 1 -3 -18 5.70 2.09 2 -3 -18 3.02 2.10 3 -3 -18 21.76 3.07 4 -3 -18 4.50 2.10 5 -3 -18 30.98 3.34 6 -3 -18 9.40 3.24 6 -4 -18 2.26 2.84 5 -4 -18 9.97 2.95 4 -4 -18 0.35 2.07 3 -4 -18 -1.33 2.22 2 -4 -18 37.41 3.10 1 -4 -18 5.22 2.75 0 -4 -18 16.31 3.06 0 -5 -18 87.17 5.26 1 -5 -18 11.15 3.09 2 -5 -18 13.52 2.49 3 -5 -18 1.08 2.21 4 -5 -18 19.49 3.57 5 -5 -18 1.59 2.64 5 -6 -18 14.26 3.66 4 -6 -18 1.42 2.82 3 -6 -18 -2.57 2.64 2 -6 -18 2.75 2.33 1 -6 -18 6.80 2.38 0 -6 -18 12.05 2.82 3 -7 -17 1.89 2.69 2 -7 -17 15.11 2.86 0 -6 -17 -1.59 2.74 1 -6 -17 1.53 2.31 2 -6 -17 1.31 2.61 3 -6 -17 12.66 3.28 4 -6 -17 4.47 2.51 5 -6 -17 4.09 2.98 6 -5 -17 -2.06 2.92 5 -5 -17 7.24 2.89 4 -5 -17 25.58 3.53 3 -5 -17 -2.06 2.34 2 -5 -17 10.83 2.58 1 -5 -17 49.94 4.14 0 -5 -17 16.86 3.22 0 -4 -17 1.43 2.01 1 -4 -17 56.62 3.80 2 -4 -17 1.54 2.46 3 -4 -17 10.27 2.68 4 -4 -17 1.33 1.80 5 -4 -17 -2.52 2.48 6 -4 -17 3.16 2.84 6 -3 -17 70.01 5.03 5 -3 -17 8.30 2.32 4 -3 -17 -0.32 1.96 3 -3 -17 88.11 4.47 2 -3 -17 60.10 3.66 1 -3 -17 10.71 1.82 0 -3 -17 30.50 2.77 0 -2 -17 -1.73 1.84 1 -2 -17 1.57 1.70 2 -2 -17 11.79 2.09 3 -2 -17 1.98 1.91 4 -2 -17 2.30 1.70 5 -2 -17 26.10 3.13 6 -2 -17 2.66 2.43 6 -1 -17 1.73 2.72 5 -1 -17 1.70 2.19 4 -1 -17 64.94 4.03 3 -1 -17 16.36 2.22 2 -1 -17 -127.68 6.47 1 -1 -17 147.88 5.13 0 -1 -17 15.35 2.45 0 0 -17 1.10 2.35 1 0 -17 24.53 2.95 2 0 -17 122.59 4.87 3 0 -17 5.59 2.26 4 0 -17 10.52 2.69 5 0 -17 18.95 2.96 6 0 -17 29.78 4.05 6 1 -17 2.06 2.66 5 1 -17 11.80 2.63 4 1 -17 1.93 1.93 3 1 -17 10.12 2.34 2 1 -17 88.60 4.09 1 1 -17 146.97 4.97 0 1 -17 1.59 1.95 0 2 -17 310.66 6.86 1 2 -17 246.82 6.66 2 2 -17 82.96 4.14 3 2 -17 15.63 2.57 4 2 -17 10.77 2.53 5 2 -17 8.87 2.53 5 3 -17 23.24 3.44 4 3 -17 11.07 2.67 3 3 -17 1.49 2.09 2 3 -17 18.70 2.58 1 3 -17 125.97 5.28 0 3 -17 52.34 3.49 0 4 -17 28.75 3.00 1 4 -17 42.29 3.57 2 4 -17 45.63 3.91 3 4 -17 4.35 2.31 4 4 -17 1.61 2.48 3 5 -17 -2.61 2.68 2 5 -17 1.10 2.15 1 5 -17 3.24 2.18 0 5 -17 2.59 2.27 0 6 -17 6.87 2.67 1 6 -17 5.52 2.98 2 6 -17 9.21 2.72 0 7 -17 0.61 2.41 0 7 -16 6.06 2.10 1 7 -16 5.37 2.05 2 6 -16 51.74 4.04 1 6 -16 5.13 2.36 0 6 -16 9.53 2.29 0 5 -16 35.66 3.11 1 5 -16 4.24 1.89 2 5 -16 8.62 2.37 3 5 -16 13.34 2.82 4 4 -16 5.63 2.37 3 4 -16 34.44 3.64 2 4 -16 57.76 3.67 1 4 -16 64.12 4.38 0 4 -16 4.17 2.07 0 3 -16 -0.25 1.90 1 3 -16 430.06 8.13 2 3 -16 -1.00 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-1 0 6.14 0.84 4 -1 0 48.93 2.39 5 -1 0 6.47 1.21 6 -1 0 0.00 1.97 7 -1 0 5.15 2.11 8 -1 0 0.57 2.38 8 -2 0 159.44 6.37 7 -2 0 0.30 1.79 6 -2 0 101.37 4.15 5 -2 0 637.48 9.00 4 -2 0 -2.24 1.20 3 -2 0 714.66 6.57 2 -2 0 994.17 6.62 1 -2 0 5235.93 55.85 0 -2 0 1418.68 31.12 0 -3 0 367.71 5.62 1 -3 0 1268.65 35.38 2 -3 0 177.15 3.22 3 -3 0 473.53 6.08 4 -3 0 636.19 7.55 5 -3 0 30.31 2.41 6 -3 0 24.02 2.51 7 -3 0 8.70 2.40 8 -3 0 12.93 2.68 9 -3 0 8.94 3.13 9 -4 0 3.19 2.30 8 -4 0 0.54 2.15 7 -4 0 157.70 6.10 6 -4 0 89.29 4.03 5 -4 0 0.21 1.65 4 -4 0 76.50 3.73 3 -4 0 322.09 5.14 2 -4 0 57.03 2.43 1 -4 0 52.79 2.31 0 -4 0 36.84 2.72 0 -5 0 307.37 6.04 1 -5 0 387.22 6.13 2 -5 0 127.04 3.84 3 -5 0 151.89 4.20 4 -5 0 75.41 3.28 5 -5 0 85.35 4.03 6 -5 0 109.80 4.64 7 -5 0 3.65 2.09 8 -5 0 7.60 2.48 8 -6 0 5.81 2.64 7 -6 0 10.97 3.01 6 -6 0 6.22 2.41 5 -6 0 6.04 1.75 4 -6 0 10.36 1.83 3 -6 0 0.00 1.34 2 -6 0 88.63 3.78 1 -6 0 55.46 3.21 0 -6 0 58.41 4.10 0 -7 0 253.06 7.30 1 -7 0 37.51 3.22 2 -7 0 58.17 3.57 3 -7 0 30.76 2.65 4 -7 0 182.14 5.72 5 -7 0 1.19 1.83 6 -7 0 1.63 2.52 7 -7 0 121.60 5.88 8 -7 0 28.14 3.69 7 -8 0 5.58 2.79 6 -8 0 9.65 2.74 5 -8 0 7.44 2.53 4 -8 0 -1.77 2.09 3 -8 0 1.25 2.21 2 -8 0 3.46 1.83 1 -8 0 2.11 2.07 0 -8 0 30.94 4.38 0 -9 0 2.43 3.41 1 -9 0 2.11 2.20 2 -9 0 73.83 4.79 3 -9 0 8.81 2.91 4 -9 0 37.37 3.93 5 -9 0 44.54 4.05 6 -9 0 40.62 4.28 3 -10 1 12.14 3.32 6 -9 1 21.01 3.47 5 -9 1 37.18 3.90 4 -9 1 0.19 2.58 3 -9 1 12.64 2.71 2 -9 1 19.25 2.98 1 -9 1 2.49 2.26 0 -9 1 -1.42 2.47 0 -8 1 0.00 2.34 1 -8 1 5.02 2.32 2 -8 1 6.90 2.38 3 -8 1 41.73 3.66 4 -8 1 10.42 2.60 5 -8 1 9.63 2.60 6 -8 1 14.20 2.82 7 -8 1 -1.99 2.55 8 -7 1 31.26 3.54 7 -7 1 7.48 2.82 6 -7 1 22.06 3.19 5 -7 1 6.09 1.70 4 -7 1 117.75 4.80 3 -7 1 75.88 3.91 2 -7 1 43.88 2.91 1 -7 1 114.81 4.81 0 -7 1 57.09 4.00 0 -6 1 4.13 1.53 1 -6 1 63.75 3.08 2 -6 1 42.35 2.85 3 -6 1 13.03 1.82 4 -6 1 9.05 1.77 5 -6 1 5.13 1.97 6 -6 1 0.45 1.83 7 -6 1 6.08 2.41 8 -6 1 9.69 2.98 8 -5 1 4.46 2.61 7 -5 1 1.43 1.89 6 -5 1 140.84 5.17 5 -5 1 59.34 3.21 4 -5 1 9.69 1.74 3 -5 1 289.99 5.64 2 -5 1 40.67 2.43 1 -5 1 49.26 2.53 0 -5 1 19.02 1.85 0 -4 1 32.25 1.78 1 -4 1 26.30 1.80 2 -4 1 5.69 1.33 3 -4 1 54.97 2.41 4 -4 1 7.33 1.48 5 -4 1 12.81 1.73 6 -4 1 8.86 1.74 7 -4 1 10.86 2.33 8 -4 1 1.45 2.00 9 -4 1 0.00 2.76 8 -3 1 0.00 2.25 7 -3 1 90.42 4.65 6 -3 1 2.11 1.85 5 -3 1 2.84 1.31 4 -3 1 63.92 2.79 3 -3 1 140.32 3.40 2 -3 1 296.67 4.10 1 -3 1 1041.79 7.33 0 -3 1 1.03 0.84 0 -2 1 564.75 4.64 1 -2 1 1020.39 6.07 2 -2 1 307.38 3.69 3 -2 1 -1.52 0.82 4 -2 1 128.83 3.57 5 -2 1 458.34 7.35 6 -2 1 59.66 3.48 7 -2 1 8.35 2.20 8 -2 1 62.00 4.45 8 -1 1 2.65 2.47 7 -1 1 4.55 1.87 6 -1 1 14.05 2.24 5 -1 1 151.08 4.22 4 -1 1 13.07 1.48 3 -1 1 76.61 2.35 2 -1 1 218.43 2.92 1 -1 1 86.16 1.45 0 -1 1 88.53 1.39 1 0 1 1419.84 23.59 2 0 1 1646.74 36.19 3 0 1 872.72 7.40 4 0 1 287.37 5.05 5 0 1 38.20 2.58 6 0 1 35.99 2.84 7 0 1 111.37 5.33 8 0 1 9.16 3.30 8 1 1 1.91 2.68 7 1 1 0.36 2.28 6 1 1 26.23 2.63 5 1 1 91.10 3.77 4 1 1 10.39 1.56 3 1 1 68.85 2.64 2 1 1 2660.31 50.90 1 1 1 1435.01 30.08 0 1 1 95.95 3.35 0 2 1 2884.07 44.82 1 2 1 725.59 6.00 2 2 1 276.06 4.31 3 2 1 4.81 1.33 4 2 1 0.96 1.27 5 2 1 18.43 2.30 6 2 1 126.16 5.48 7 2 1 -3.87 2.63 7 3 1 9.37 3.27 6 3 1 3.23 2.56 5 3 1 -0.60 1.77 4 3 1 8.55 1.98 3 3 1 3.14 1.47 2 3 1 24.86 1.94 1 3 1 0.20 0.91 0 3 1 96.73 2.70 0 4 1 39.20 2.14 1 4 1 2.15 1.13 2 4 1 16.83 2.00 3 4 1 71.86 3.61 4 4 1 2.88 2.24 5 4 1 9.72 2.46 6 4 1 4.22 2.67 5 5 1 7.00 2.86 4 5 1 2.50 2.22 3 5 1 17.60 2.79 2 5 1 0.74 1.45 1 5 1 58.39 2.93 0 5 1 5.87 1.57 0 6 1 3.82 1.50 1 6 1 15.63 2.41 2 6 1 50.40 3.69 3 6 1 9.93 2.60 4 6 1 2.51 2.17 3 7 1 8.65 3.13 2 7 1 1.40 2.12 1 7 1 14.20 2.65 0 7 1 239.88 6.98 0 8 1 86.43 4.89 1 8 1 8.41 2.69 2 8 1 5.96 2.61 0 9 1 5.71 2.63 0 9 2 4.93 2.36 2 8 2 -1.65 2.85 1 8 2 60.12 4.53 0 8 2 38.52 3.84 0 7 2 13.45 2.66 1 7 2 12.74 2.51 2 7 2 2.47 2.13 3 7 2 11.69 2.86 4 6 2 4.47 2.23 3 6 2 74.39 4.52 2 6 2 18.36 2.55 1 6 2 15.80 2.32 0 6 2 9.05 1.99 0 5 2 54.16 2.68 1 5 2 3.60 1.76 2 5 2 8.73 1.90 3 5 2 34.70 3.27 4 5 2 25.75 3.36 5 5 2 0.98 2.67 6 4 2 11.55 2.70 5 4 2 1.03 2.11 4 4 2 40.82 3.26 3 4 2 111.57 4.29 2 4 2 73.09 3.15 1 4 2 2.97 1.14 0 4 2 522.49 6.47 0 3 2 3.47 1.13 1 3 2 27.81 1.73 2 3 2 29.06 2.11 3 3 2 13.34 1.97 4 3 2 3.26 1.75 5 3 2 1.97 2.04 6 3 2 -1.45 2.53 7 2 2 2.54 2.35 6 2 2 49.62 3.67 5 2 2 10.05 1.95 4 2 2 59.22 3.06 3 2 2 195.44 4.59 2 2 2 589.45 6.33 1 2 2 550.19 5.33 0 2 2 9742.93 81.55 0 1 2 456.86 3.26 1 1 2 1578.62 32.27 2 1 2 279.61 3.93 3 1 2 312.33 4.87 4 1 2 1.90 1.30 5 1 2 3.12 1.51 6 1 2 2.51 2.20 7 1 2 4.48 2.33 8 0 2 4.61 3.02 7 0 2 31.18 3.42 6 0 2 82.46 3.97 5 0 2 3.06 1.33 4 0 2 629.01 7.40 3 0 2 400.71 5.09 2 0 2 242.14 3.33 1 0 2 0.07 0.41 0 0 2 -0.59 1.70 0 -1 2 113.24 1.62 1 -1 2 125.61 1.82 2 -1 2 89.32 1.94 3 -1 2 665.18 6.32 4 -1 2 113.56 3.42 5 -1 2 7.10 1.58 6 -1 2 98.34 4.14 7 -1 2 14.85 2.64 8 -1 2 21.90 3.40 8 -2 2 -0.92 2.67 7 -2 2 90.47 4.60 6 -2 2 63.42 3.47 5 -2 2 66.93 3.24 4 -2 2 28.74 1.87 3 -2 2 1.08 1.00 2 -2 2 78.90 2.11 1 -2 2 66.80 1.79 0 -2 2 284.21 3.44 0 -3 2 854.50 6.94 1 -3 2 184.84 3.24 2 -3 2 443.66 5.11 3 -3 2 8.43 1.20 4 -3 2 1078.72 9.90 5 -3 2 75.15 3.17 6 -3 2 0.25 1.66 7 -3 2 209.75 6.57 8 -3 2 0.91 2.17 8 -4 2 14.20 2.82 7 -4 2 67.07 4.07 6 -4 2 14.23 2.20 5 -4 2 31.13 2.39 4 -4 2 1.92 1.11 3 -4 2 22.86 1.74 2 -4 2 240.32 4.24 1 -4 2 0.62 0.83 0 -4 2 199.29 4.27 0 -5 2 65.19 2.92 1 -5 2 42.80 2.39 2 -5 2 279.18 5.13 3 -5 2 256.72 5.50 4 -5 2 3.43 1.28 5 -5 2 179.10 5.30 6 -5 2 368.19 8.24 7 -5 2 42.70 3.73 8 -5 2 -0.37 2.27 8 -6 2 15.38 2.95 7 -6 2 -3.56 2.10 6 -6 2 45.69 3.52 5 -6 2 42.52 3.10 4 -6 2 8.02 1.71 3 -6 2 78.61 3.42 2 -6 2 35.41 2.67 1 -6 2 90.82 3.70 0 -6 2 108.29 4.08 0 -7 2 1.00 1.96 1 -7 2 331.91 7.68 2 -7 2 -0.13 1.64 3 -7 2 139.39 4.88 4 -7 2 12.34 2.32 5 -7 2 18.34 2.29 6 -7 2 41.64 3.67 7 -7 2 55.65 4.32 8 -7 2 3.51 2.47 7 -8 2 37.38 3.89 6 -8 2 75.91 4.80 5 -8 2 11.35 2.60 4 -8 2 22.01 2.94 3 -8 2 196.13 6.67 2 -8 2 1.26 1.94 1 -8 2 16.35 2.47 0 -8 2 29.14 3.21 0 -9 2 14.15 2.96 1 -9 2 -3.06 2.36 2 -9 2 1.30 2.14 3 -9 2 1.83 2.27 4 -9 2 23.42 3.41 5 -9 2 6.75 2.75 6 -9 2 14.30 3.31 3 -10 2 2.77 2.72 6 -9 3 -1.64 3.08 5 -9 3 9.10 2.80 4 -9 3 -1.49 2.36 3 -9 3 -0.18 2.24 2 -9 3 17.27 3.17 1 -9 3 5.76 2.16 0 -9 3 10.74 3.21 0 -8 3 47.28 4.06 1 -8 3 1.79 2.28 2 -8 3 11.03 2.46 3 -8 3 65.26 3.93 4 -8 3 78.16 4.42 5 -8 3 12.43 2.54 6 -8 3 23.66 3.55 7 -8 3 30.33 3.78 8 -7 3 15.56 3.39 7 -7 3 18.23 2.87 6 -7 3 1.48 2.08 5 -7 3 2.55 1.87 4 -7 3 5.86 2.02 3 -7 3 162.99 5.41 2 -7 3 79.70 3.86 1 -7 3 68.11 3.62 0 -7 3 102.49 4.72 0 -6 3 92.64 3.89 1 -6 3 106.40 4.14 2 -6 3 290.53 6.03 3 -6 3 24.37 2.58 4 -6 3 15.57 2.22 5 -6 3 96.41 4.38 6 -6 3 3.75 2.36 7 -6 3 1.88 2.25 8 -6 3 17.43 3.18 8 -5 3 1.88 2.55 7 -5 3 108.03 5.11 6 -5 3 2.08 2.19 5 -5 3 168.28 5.21 4 -5 3 9.87 1.64 3 -5 3 324.96 6.11 2 -5 3 134.35 3.91 1 -5 3 5.15 1.43 0 -5 3 4.05 1.46 0 -4 3 21.56 1.65 1 -4 3 12.82 1.31 2 -4 3 32.99 1.93 3 -4 3 179.45 4.26 4 -4 3 16.51 1.80 5 -4 3 16.37 2.01 6 -4 3 18.30 2.74 7 -4 3 18.32 2.68 8 -4 3 5.69 2.21 8 -3 3 -2.37 2.09 7 -3 3 33.80 3.11 6 -3 3 8.49 1.92 5 -3 3 275.75 6.18 4 -3 3 449.69 6.56 3 -3 3 3.84 1.08 2 -3 3 512.71 5.49 1 -3 3 615.50 5.79 0 -3 3 229.07 4.03 0 -2 3 32.53 1.45 1 -2 3 137.91 2.37 2 -2 3 748.89 5.97 3 -2 3 37.54 1.84 4 -2 3 37.11 2.08 5 -2 3 101.42 3.69 6 -2 3 48.90 3.46 7 -2 3 0.46 1.98 8 -2 3 33.78 3.73 8 -1 3 6.15 3.34 7 -1 3 37.98 3.24 6 -1 3 84.73 3.84 5 -1 3 34.52 2.47 4 -1 3 683.83 7.65 3 -1 3 448.74 5.32 2 -1 3 101.83 2.34 1 -1 3 386.24 3.41 0 -1 3 418.14 3.28 0 0 3 289.59 3.57 1 0 3 6073.09 54.71 2 0 3 54.19 1.94 3 0 3 41.23 2.13 4 0 3 4.09 1.43 5 0 3 2.89 1.60 6 0 3 6.50 2.48 7 0 3 8.93 2.67 8 0 3 3.24 2.20 7 1 3 2.17 2.34 6 1 3 2.54 1.86 5 1 3 71.82 3.48 4 1 3 16.65 1.88 3 1 3 175.38 4.09 2 1 3 269.74 3.93 1 1 3 5338.17 59.60 0 1 3 977.65 23.02 0 2 3 4432.37 57.22 1 2 3 620.07 5.79 2 2 3 2.05 1.02 3 2 3 171.04 4.30 4 2 3 0.00 1.53 5 2 3 50.65 3.40 6 2 3 31.43 3.25 7 2 3 -0.59 2.79 6 3 3 3.84 2.82 5 3 3 7.97 1.86 4 3 3 7.25 1.80 3 3 3 57.42 3.40 2 3 3 -1.19 1.23 1 3 3 19.37 1.58 0 3 3 491.92 6.73 0 4 3 1037.92 9.14 1 4 3 80.62 3.07 2 4 3 42.43 2.67 3 4 3 2.98 1.36 4 4 3 10.89 2.46 5 4 3 16.18 2.68 6 4 3 1.23 3.01 5 5 3 2.97 2.50 4 5 3 22.99 2.75 3 5 3 55.53 3.90 2 5 3 2.41 1.56 1 5 3 0.89 1.31 0 5 3 0.60 1.52 0 6 3 151.66 5.19 1 6 3 8.62 2.05 2 6 3 -0.30 2.15 3 6 3 30.07 3.50 4 6 3 -3.14 2.52 3 7 3 -0.20 2.81 2 7 3 4.46 2.44 1 7 3 0.81 2.04 0 7 3 6.96 2.26 0 8 3 14.27 3.24 1 8 3 126.26 5.78 2 8 3 -1.25 2.76 0 9 3 4.15 2.61 0 9 4 18.25 3.50 2 8 4 10.78 2.91 1 8 4 96.06 5.71 0 8 4 50.73 4.51 0 7 4 51.15 3.75 1 7 4 6.54 2.33 2 7 4 2.35 2.18 3 7 4 12.56 3.34 4 6 4 2.19 2.43 3 6 4 7.49 2.27 2 6 4 13.83 2.47 1 6 4 11.52 2.10 0 6 4 5.37 1.96 0 5 4 17.45 2.23 1 5 4 3.29 1.57 2 5 4 109.22 4.32 3 5 4 17.43 2.62 4 5 4 18.14 2.76 5 5 4 8.42 2.95 6 4 4 2.69 2.74 5 4 4 23.64 3.27 4 4 4 2.39 2.19 3 4 4 2.66 1.79 2 4 4 42.27 2.56 1 4 4 112.42 3.67 0 4 4 316.83 5.84 0 3 4 39.68 2.03 1 3 4 205.12 4.02 2 3 4 303.33 5.29 3 3 4 57.61 3.03 4 3 4 27.35 2.70 5 3 4 -1.56 1.99 6 3 4 30.94 3.51 7 2 4 12.55 3.43 6 2 4 8.51 2.26 5 2 4 75.57 3.77 4 2 4 1.58 1.44 3 2 4 145.95 4.21 2 2 4 2.64 1.11 1 2 4 48.69 2.18 0 2 4 49.36 2.19 0 1 4 398.83 3.69 1 1 4 156.09 2.74 2 1 4 1085.70 8.00 3 1 4 828.34 8.08 4 1 4 3.28 1.34 5 1 4 260.77 6.35 6 1 4 19.44 2.72 7 1 4 8.24 2.86 8 0 4 3.48 2.29 7 0 4 16.73 2.78 6 0 4 1.26 1.96 5 0 4 80.05 3.60 4 0 4 3.22 1.42 3 0 4 245.57 4.20 2 0 4 5.32 0.82 1 0 4 47.07 1.65 0 0 4 1821.47 30.20 0 -1 4 295.36 3.05 1 -1 4 300.49 3.34 2 -1 4 41.32 1.61 3 -1 4 334.37 4.69 4 -1 4 0.34 1.12 5 -1 4 77.70 3.39 6 -1 4 44.06 3.07 7 -1 4 2.10 2.38 8 -1 4 3.50 2.73 8 -2 4 3.38 2.43 7 -2 4 7.67 2.17 6 -2 4 95.68 4.25 5 -2 4 272.67 6.09 4 -2 4 11.44 1.45 3 -2 4 88.40 2.69 2 -2 4 1.65 0.69 1 -2 4 178.85 2.79 0 -2 4 160.70 2.78 0 -3 4 1205.57 8.51 1 -3 4 471.61 5.19 2 -3 4 73.78 2.45 3 -3 4 2.20 0.94 4 -3 4 114.58 3.58 5 -3 4 63.89 3.22 6 -3 4 257.06 6.74 7 -3 4 65.07 3.94 8 -3 4 14.78 2.65 8 -4 4 14.09 2.82 7 -4 4 19.95 2.78 6 -4 4 475.45 9.12 5 -4 4 20.34 2.26 4 -4 4 65.75 3.01 3 -4 4 65.28 2.80 2 -4 4 105.74 3.20 1 -4 4 20.10 1.49 0 -4 4 27.96 2.40 0 -5 4 12.23 1.69 1 -5 4 27.87 2.10 2 -5 4 23.63 1.88 3 -5 4 4.93 1.43 4 -5 4 46.76 2.74 5 -5 4 187.75 5.39 6 -5 4 30.86 3.22 7 -5 4 -1.30 2.32 8 -5 4 -0.95 2.51 8 -6 4 11.46 2.85 7 -6 4 24.85 2.74 6 -6 4 27.74 2.86 5 -6 4 124.93 4.88 4 -6 4 413.82 7.84 3 -6 4 28.47 2.45 2 -6 4 400.82 7.25 1 -6 4 32.31 2.67 0 -6 4 3.37 1.66 0 -7 4 52.87 3.50 1 -7 4 34.97 3.16 2 -7 4 73.25 3.89 3 -7 4 10.53 1.87 4 -7 4 2.68 1.90 5 -7 4 25.91 2.93 6 -7 4 11.49 2.69 7 -7 4 6.50 2.48 8 -7 4 2.93 2.37 7 -8 4 10.92 2.97 6 -8 4 61.54 4.31 5 -8 4 29.34 3.35 4 -8 4 59.74 3.93 3 -8 4 25.67 2.85 2 -8 4 17.30 2.70 1 -8 4 13.25 2.58 0 -8 4 90.25 4.85 0 -9 4 1.22 2.73 1 -9 4 2.70 2.42 2 -9 4 56.39 4.22 3 -9 4 6.48 2.71 4 -9 4 16.71 3.31 5 -9 4 24.17 3.69 6 -9 4 33.03 3.94 6 -9 5 50.39 4.22 5 -9 5 87.69 5.13 4 -9 5 3.98 2.34 3 -9 5 48.88 4.08 2 -9 5 47.99 4.19 1 -9 5 5.83 2.28 0 -9 5 8.60 2.70 0 -8 5 35.22 3.69 1 -8 5 56.79 3.58 2 -8 5 37.36 3.37 3 -8 5 37.96 3.18 4 -8 5 30.77 3.47 5 -8 5 36.42 3.58 6 -8 5 27.26 3.70 7 -8 5 26.55 3.34 8 -7 5 5.91 2.62 7 -7 5 5.63 2.72 6 -7 5 0.00 1.94 5 -7 5 25.78 2.66 4 -7 5 288.57 7.37 3 -7 5 10.12 2.42 2 -7 5 31.70 2.81 1 -7 5 98.70 4.39 0 -7 5 33.04 3.08 0 -6 5 83.89 3.78 1 -6 5 229.83 5.75 2 -6 5 491.07 7.87 3 -6 5 220.59 5.68 4 -6 5 504.93 8.87 5 -6 5 19.02 2.54 6 -6 5 39.97 3.40 7 -6 5 2.10 2.46 8 -6 5 10.39 2.84 8 -5 5 19.20 2.85 7 -5 5 2.97 1.90 6 -5 5 0.71 1.81 5 -5 5 2.84 2.33 4 -5 5 33.81 2.56 3 -5 5 67.68 3.06 2 -5 5 -0.09 1.17 1 -5 5 125.81 3.87 0 -5 5 28.56 2.32 0 -4 5 189.22 4.34 1 -4 5 74.60 2.73 2 -4 5 3.62 1.08 3 -4 5 780.77 8.31 4 -4 5 274.77 5.86 5 -4 5 3.31 1.45 6 -4 5 46.16 3.14 7 -4 5 14.51 2.41 8 -4 5 15.40 3.24 8 -3 5 7.30 2.49 7 -3 5 31.01 3.06 6 -3 5 8.66 2.08 5 -3 5 103.12 3.94 4 -3 5 2.77 1.05 3 -3 5 472.02 6.10 2 -3 5 2.22 0.93 1 -3 5 505.92 5.55 0 -3 5 17.82 1.50 0 -2 5 50.49 1.85 1 -2 5 750.07 5.96 2 -2 5 593.39 5.73 3 -2 5 297.58 4.58 4 -2 5 0.94 1.00 5 -2 5 63.25 3.16 6 -2 5 235.54 6.48 7 -2 5 1.11 2.34 8 -2 5 1.71 2.16 8 -1 5 5.91 2.69 7 -1 5 18.74 2.76 6 -1 5 82.05 4.18 5 -1 5 -1.10 1.48 4 -1 5 5.47 1.35 3 -1 5 338.70 4.88 2 -1 5 206.96 3.29 1 -1 5 2.58 0.74 0 -1 5 1120.62 28.06 0 0 5 2338.21 39.65 1 0 5 1209.37 6.96 2 0 5 502.08 5.25 3 0 5 40.25 2.16 4 0 5 264.31 5.51 5 0 5 19.43 2.24 6 0 5 12.32 2.44 7 0 5 2.43 1.96 8 0 5 -1.45 2.58 7 1 5 2.05 2.40 6 1 5 15.78 2.73 5 1 5 40.99 2.98 4 1 5 484.39 7.27 3 1 5 17.80 1.83 2 1 5 1040.36 8.08 1 1 5 637.85 5.55 0 1 5 2.01 0.66 0 2 5 698.81 6.00 1 2 5 1742.77 10.29 2 2 5 171.43 4.06 3 2 5 35.23 2.37 4 2 5 53.12 3.20 5 2 5 27.64 2.90 6 2 5 1.53 2.18 7 2 5 7.68 2.73 6 3 5 10.72 3.24 5 3 5 3.17 2.03 4 3 5 61.49 3.53 3 3 5 40.63 2.86 2 3 5 128.74 3.97 1 3 5 140.39 3.65 0 3 5 9.47 1.56 0 4 5 1249.11 10.42 1 4 5 12.85 1.96 2 4 5 28.02 2.42 3 4 5 25.90 2.44 4 4 5 -2.44 2.06 5 4 5 15.78 2.73 6 4 5 5.46 2.79 5 5 5 32.95 3.42 4 5 5 -0.18 2.06 3 5 5 6.83 2.12 2 5 5 129.67 4.84 1 5 5 54.46 3.19 0 5 5 74.30 4.08 0 6 5 14.58 2.30 1 6 5 10.78 2.22 2 6 5 -1.10 2.42 3 6 5 2.30 2.18 4 6 5 6.06 2.32 3 7 5 19.94 3.31 2 7 5 2.94 2.37 1 7 5 46.11 3.72 0 7 5 176.91 6.39 0 8 5 10.35 2.65 1 8 5 7.05 3.07 0 9 5 2.34 2.98 1 8 6 24.30 3.63 0 8 6 3.14 2.47 0 7 6 161.50 5.98 1 7 6 54.18 4.39 2 7 6 -0.75 1.91 3 7 6 10.87 2.97 4 6 6 1.23 2.84 3 6 6 1.99 2.33 2 6 6 14.87 2.78 1 6 6 11.19 2.33 0 6 6 0.79 2.69 0 5 6 138.93 4.69 1 5 6 202.66 5.65 2 5 6 17.88 2.84 3 5 6 3.73 1.94 4 5 6 5.73 2.25 5 5 6 21.71 3.49 5 4 6 6.21 2.35 4 4 6 8.73 2.24 3 4 6 2.53 1.67 2 4 6 46.23 2.89 1 4 6 23.52 2.17 0 4 6 54.79 3.03 0 3 6 962.08 8.37 1 3 6 47.95 2.38 2 3 6 5.22 1.28 3 3 6 51.02 3.02 4 3 6 81.01 3.89 5 3 6 0.32 2.32 6 3 6 -2.49 2.47 7 2 6 2.46 2.51 6 2 6 7.09 2.77 5 2 6 59.89 3.84 4 2 6 3.81 1.81 3 2 6 559.36 7.59 2 2 6 246.15 4.57 1 2 6 459.94 5.57 0 2 6 922.72 7.28 0 1 6 169.99 2.90 1 1 6 -1.14 0.96 2 1 6 400.43 5.25 3 1 6 472.36 6.48 4 1 6 49.08 2.87 5 1 6 81.13 3.88 6 1 6 22.74 2.76 7 1 6 5.87 2.75 8 0 6 29.87 4.05 7 0 6 20.30 3.46 6 0 6 13.32 2.36 5 0 6 -0.84 1.68 4 0 6 596.45 7.87 3 0 6 0.60 1.02 2 0 6 -0.81 0.92 1 0 6 808.60 6.09 0 0 6 698.81 7.69 0 -1 6 229.95 3.21 1 -1 6 120.35 2.48 2 -1 6 4.18 0.80 3 -1 6 92.00 2.96 4 -1 6 60.88 2.67 5 -1 6 88.34 3.70 6 -1 6 122.06 5.03 7 -1 6 38.19 3.65 8 -1 6 -1.00 2.60 8 -2 6 12.56 2.59 7 -2 6 0.97 2.02 6 -2 6 2.55 1.72 5 -2 6 85.00 3.51 4 -2 6 48.58 2.39 3 -2 6 260.51 4.46 2 -2 6 53.75 2.10 1 -2 6 162.92 2.97 0 -2 6 38.40 1.76 0 -3 6 345.53 4.92 1 -3 6 15.14 1.21 2 -3 6 4.71 1.00 3 -3 6 1.78 1.14 4 -3 6 3.06 0.95 5 -3 6 29.14 2.44 6 -3 6 14.63 2.23 7 -3 6 11.86 2.37 8 -3 6 3.04 2.01 8 -4 6 14.68 2.87 7 -4 6 3.57 2.17 6 -4 6 1.93 1.67 5 -4 6 96.40 3.86 4 -4 6 38.42 2.53 3 -4 6 26.44 2.01 2 -4 6 13.74 1.45 1 -4 6 331.33 5.20 0 -4 6 350.25 5.52 0 -5 6 44.15 2.57 1 -5 6 77.05 3.14 2 -5 6 159.06 4.36 3 -5 6 28.91 2.15 4 -5 6 91.52 3.78 5 -5 6 317.47 7.12 6 -5 6 32.97 2.84 7 -5 6 11.43 2.15 8 -5 6 -1.17 2.38 8 -6 6 21.87 3.02 7 -6 6 1.24 2.09 6 -6 6 11.88 2.62 5 -6 6 18.27 2.55 4 -6 6 284.71 6.97 3 -6 6 279.46 6.56 2 -6 6 181.05 5.19 1 -6 6 0.59 1.55 0 -6 6 15.55 2.62 0 -7 6 68.66 3.98 1 -7 6 155.39 5.81 2 -7 6 3.86 1.96 3 -7 6 134.43 5.08 4 -7 6 26.00 3.01 5 -7 6 26.97 3.17 6 -7 6 9.06 2.58 7 -7 6 23.40 2.85 7 -8 6 16.53 3.05 6 -8 6 2.27 2.22 5 -8 6 11.25 3.09 4 -8 6 5.00 2.45 3 -8 6 4.71 1.94 2 -8 6 -1.46 2.16 1 -8 6 7.19 2.46 0 -8 6 0.53 2.64 0 -9 6 8.68 3.36 1 -9 6 0.59 2.18 2 -9 6 46.97 3.93 3 -9 6 20.75 3.14 4 -9 6 -1.53 2.28 5 -9 6 7.55 3.09 6 -9 6 46.93 4.19 5 -9 7 10.68 2.87 4 -9 7 2.52 2.34 3 -9 7 0.57 2.22 2 -9 7 29.66 3.70 1 -9 7 5.76 2.11 0 -9 7 12.11 3.22 0 -8 7 6.79 2.60 1 -8 7 14.42 2.88 2 -8 7 1.82 2.32 3 -8 7 71.61 4.56 4 -8 7 3.56 2.29 5 -8 7 1.07 2.87 6 -8 7 1.73 2.23 7 -8 7 2.10 2.22 7 -7 7 73.25 5.04 6 -7 7 5.74 2.50 5 -7 7 -1.75 2.17 4 -7 7 32.00 3.10 3 -7 7 345.91 7.92 2 -7 7 109.31 4.70 1 -7 7 104.03 4.57 0 -7 7 29.09 3.04 0 -6 7 24.93 2.60 1 -6 7 -1.09 1.58 2 -6 7 11.77 2.07 3 -6 7 5.98 1.94 4 -6 7 8.06 2.14 5 -6 7 125.17 5.17 6 -6 7 3.03 2.00 7 -6 7 0.72 2.15 8 -6 7 1.03 2.41 8 -5 7 -0.59 2.09 7 -5 7 28.94 2.82 6 -5 7 16.04 2.60 5 -5 7 283.39 6.98 4 -5 7 18.20 2.28 3 -5 7 388.99 6.66 2 -5 7 329.77 6.34 1 -5 7 9.12 1.77 0 -5 7 240.00 5.59 0 -4 7 559.42 7.08 1 -4 7 109.76 3.57 2 -4 7 163.63 4.08 3 -4 7 175.69 4.67 4 -4 7 53.31 2.91 5 -4 7 23.51 2.08 6 -4 7 15.39 2.40 7 -4 7 21.70 2.69 8 -4 7 0.19 2.13 8 -3 7 15.29 3.15 7 -3 7 -1.31 1.95 6 -3 7 3.31 1.69 5 -3 7 203.91 5.47 4 -3 7 64.26 2.93 3 -3 7 0.49 0.96 2 -3 7 463.00 5.89 1 -3 7 111.11 3.16 0 -3 7 114.12 3.25 0 -2 7 4.25 0.78 1 -2 7 59.38 2.16 2 -2 7 1110.47 8.43 3 -2 7 666.08 7.29 4 -2 7 49.26 2.67 5 -2 7 59.61 3.28 6 -2 7 108.63 4.73 7 -2 7 -2.15 2.02 8 -2 7 4.13 2.13 8 -1 7 -0.41 2.89 7 -1 7 81.60 4.69 6 -1 7 1.99 1.85 5 -1 7 67.13 3.37 4 -1 7 90.39 3.40 3 -1 7 478.39 6.17 2 -1 7 391.48 4.91 1 -1 7 398.11 4.52 0 -1 7 47.35 1.82 0 0 7 218.35 4.97 1 0 7 42.28 1.74 2 0 7 75.34 2.55 3 0 7 346.02 5.37 4 0 7 121.18 4.01 5 0 7 147.58 4.91 6 0 7 13.06 2.28 7 0 7 24.51 3.68 7 1 7 2.70 2.13 6 1 7 21.50 3.20 5 1 7 3.62 2.01 4 1 7 129.01 4.30 3 1 7 66.68 2.98 2 1 7 170.73 3.95 1 1 7 187.90 3.38 0 1 7 513.19 5.15 0 2 7 330.11 4.62 1 2 7 97.53 2.96 2 2 7 12.86 1.84 3 2 7 518.34 7.51 4 2 7 19.45 2.32 5 2 7 48.88 3.79 6 2 7 62.74 4.35 7 2 7 16.10 3.39 6 3 7 34.37 3.81 5 3 7 16.40 2.68 4 3 7 1.82 1.97 3 3 7 1.29 1.80 2 3 7 13.49 1.81 1 3 7 0.17 1.35 0 3 7 8.36 1.59 0 4 7 93.99 3.47 1 4 7 467.58 7.24 2 4 7 31.36 2.44 3 4 7 4.79 1.57 4 4 7 7.83 2.32 5 4 7 22.57 3.51 5 5 7 4.85 3.26 4 5 7 3.29 2.50 3 5 7 1.27 2.00 2 5 7 17.84 2.22 1 5 7 5.20 1.94 0 5 7 82.58 3.82 0 6 7 220.63 6.28 1 6 7 1.77 2.16 2 6 7 24.73 2.95 3 6 7 4.98 2.19 4 6 7 -2.72 2.60 3 7 7 10.43 2.77 2 7 7 1.34 2.57 1 7 7 23.62 3.73 0 7 7 23.91 3.38 0 8 7 5.28 2.80 1 8 7 58.07 4.74 1 8 8 43.55 3.97 0 8 8 -2.89 2.89 0 7 8 9.56 2.73 1 7 8 5.52 2.35 2 7 8 18.38 3.13 3 6 8 7.74 2.88 2 6 8 25.39 3.30 1 6 8 12.74 2.49 0 6 8 21.77 2.78 0 5 8 -0.70 1.90 1 5 8 4.49 1.72 2 5 8 4.03 2.07 3 5 8 22.72 2.57 4 5 8 3.74 2.44 5 4 8 0.19 2.96 4 4 8 25.92 3.17 3 4 8 -0.28 1.92 2 4 8 32.68 2.77 1 4 8 20.35 2.37 0 4 8 169.32 5.63 0 3 8 188.90 4.30 1 3 8 147.96 4.07 2 3 8 18.29 2.12 3 3 8 -0.49 1.67 4 3 8 8.94 2.16 5 3 8 107.40 5.34 6 3 8 5.99 2.68 6 2 8 12.85 2.80 5 2 8 13.11 2.62 4 2 8 75.99 3.84 3 2 8 439.35 7.19 2 2 8 2.30 1.27 1 2 8 75.51 2.87 0 2 8 131.54 3.40 0 1 8 121.60 2.78 1 1 8 97.72 2.81 2 1 8 149.40 3.91 3 1 8 2.25 1.39 4 1 8 36.00 2.78 5 1 8 10.24 2.43 6 1 8 18.24 2.82 7 1 8 2.96 2.39 7 0 8 25.80 3.62 6 0 8 56.92 3.84 5 0 8 31.06 2.67 4 0 8 0.63 1.58 3 0 8 385.25 5.90 2 0 8 734.23 7.19 1 0 8 78.12 2.56 0 0 8 98.71 3.44 0 -1 8 13.54 1.28 1 -1 8 129.60 2.84 2 -1 8 484.77 5.71 3 -1 8 110.99 3.51 4 -1 8 50.25 2.62 5 -1 8 20.57 2.14 6 -1 8 -0.29 1.85 7 -1 8 25.04 3.18 8 -1 8 1.45 2.65 8 -2 8 5.02 2.21 7 -2 8 1.19 1.91 6 -2 8 27.28 2.58 5 -2 8 25.64 2.41 4 -2 8 4.89 1.25 3 -2 8 6.00 1.25 2 -2 8 636.86 6.74 1 -2 8 97.68 2.88 0 -2 8 44.90 2.04 0 -3 8 329.69 5.04 1 -3 8 706.47 7.26 2 -3 8 115.02 3.37 3 -3 8 52.89 2.54 4 -3 8 67.84 3.04 5 -3 8 30.91 2.59 6 -3 8 41.22 3.19 7 -3 8 -4.19 2.09 8 -3 8 1.18 2.60 8 -4 8 6.53 2.54 7 -4 8 20.00 2.90 6 -4 8 3.19 1.69 5 -4 8 21.04 2.22 4 -4 8 27.97 2.31 3 -4 8 14.56 1.63 2 -4 8 24.43 1.96 1 -4 8 242.43 5.03 0 -4 8 38.47 3.16 0 -5 8 133.70 4.47 1 -5 8 1.56 1.43 2 -5 8 243.25 5.58 3 -5 8 338.75 6.84 4 -5 8 144.36 4.85 5 -5 8 109.88 4.65 6 -5 8 35.77 3.12 7 -5 8 29.74 3.24 8 -5 8 2.02 2.13 8 -6 8 2.51 2.29 7 -6 8 9.94 2.43 6 -6 8 5.22 2.30 5 -6 8 7.16 2.48 4 -6 8 289.78 7.15 3 -6 8 24.87 2.54 2 -6 8 2.81 1.69 1 -6 8 66.97 3.52 0 -6 8 -1.30 1.54 0 -7 8 1.08 2.11 1 -7 8 65.50 3.91 2 -7 8 69.58 3.88 3 -7 8 116.85 4.84 4 -7 8 2.42 2.15 5 -7 8 100.59 4.97 6 -7 8 2.66 2.32 7 -7 8 31.28 3.59 7 -8 8 22.99 3.42 6 -8 8 24.59 3.35 5 -8 8 3.09 2.39 4 -8 8 12.43 3.08 3 -8 8 103.75 5.29 2 -8 8 4.88 2.32 1 -8 8 41.94 3.77 0 -8 8 2.90 2.90 0 -9 8 6.35 2.69 1 -9 8 0.40 2.38 2 -9 8 1.56 2.46 3 -9 8 3.10 2.11 4 -9 8 5.32 2.19 5 -9 8 -4.30 2.86 5 -9 9 3.95 2.29 4 -9 9 -3.01 2.17 3 -9 9 7.71 2.54 2 -9 9 11.34 3.06 1 -9 9 2.46 2.35 0 -8 9 11.47 3.37 1 -8 9 48.06 3.70 2 -8 9 9.78 2.47 3 -8 9 45.69 3.58 4 -8 9 31.05 3.15 5 -8 9 39.13 3.86 6 -8 9 8.16 2.96 7 -7 9 13.64 3.16 6 -7 9 0.72 2.33 5 -7 9 2.49 2.06 4 -7 9 2.33 1.88 3 -7 9 2.54 1.75 2 -7 9 -0.15 1.87 1 -7 9 20.77 2.63 0 -7 9 1.58 2.11 0 -6 9 30.07 3.24 1 -6 9 58.20 3.40 2 -6 9 219.89 5.95 3 -6 9 46.55 3.13 4 -6 9 117.28 4.79 5 -6 9 13.97 2.93 6 -6 9 33.91 3.40 7 -6 9 0.75 2.55 8 -5 9 -0.21 2.07 7 -5 9 -2.33 2.23 6 -5 9 200.16 6.62 5 -5 9 13.91 2.70 4 -5 9 2.10 1.65 3 -5 9 59.07 3.10 2 -5 9 65.06 3.29 1 -5 9 0.32 1.34 0 -5 9 43.26 3.05 0 -4 9 36.41 2.37 1 -4 9 186.16 4.73 2 -4 9 77.52 3.10 3 -4 9 22.31 2.10 4 -4 9 14.97 1.81 5 -4 9 114.23 4.51 6 -4 9 10.90 2.35 7 -4 9 2.61 2.02 8 -4 9 0.61 2.19 8 -3 9 13.32 3.01 7 -3 9 2.24 1.98 6 -3 9 0.29 1.80 5 -3 9 93.56 4.07 4 -3 9 -0.84 1.23 3 -3 9 74.99 2.98 2 -3 9 26.10 1.90 1 -3 9 1647.16 11.39 0 -3 9 209.29 4.57 0 -2 9 14.60 1.52 1 -2 9 396.63 5.25 2 -2 9 67.54 2.61 3 -2 9 57.04 2.53 4 -2 9 87.84 3.49 5 -2 9 1.97 1.46 6 -2 9 55.12 3.55 7 -2 9 2.96 2.04 8 -2 9 1.03 2.35 8 -1 9 0.64 2.62 7 -1 9 69.34 4.54 6 -1 9 16.75 2.65 5 -1 9 -3.27 1.65 4 -1 9 33.64 2.44 3 -1 9 220.88 4.91 2 -1 9 109.09 3.22 1 -1 9 780.22 7.07 0 -1 9 46.08 2.22 0 0 9 23.99 2.12 1 0 9 116.21 3.09 2 0 9 141.90 3.67 3 0 9 44.27 2.46 4 0 9 8.45 1.84 5 0 9 9.81 2.64 6 0 9 0.79 2.55 7 0 9 -0.38 2.48 7 1 9 18.96 3.23 6 1 9 27.79 3.27 5 1 9 118.03 4.84 4 1 9 116.01 4.30 3 1 9 4.05 1.73 2 1 9 550.07 6.85 1 1 9 58.13 2.45 0 1 9 19.70 1.53 0 2 9 72.50 2.69 1 2 9 46.17 2.32 2 2 9 10.80 1.65 3 2 9 5.34 2.04 4 2 9 214.59 6.14 5 2 9 130.59 5.77 6 2 9 0.93 2.57 6 3 9 75.78 5.29 5 3 9 6.11 2.93 4 3 9 114.26 4.93 3 3 9 84.38 3.96 2 3 9 95.56 3.72 1 3 9 23.91 2.19 0 3 9 482.80 6.94 0 4 9 83.51 3.44 1 4 9 202.09 5.37 2 4 9 38.71 2.97 3 4 9 17.53 2.61 4 4 9 20.60 2.82 5 4 9 52.02 4.29 4 5 9 2.11 2.15 3 5 9 -2.52 2.39 2 5 9 7.73 2.38 1 5 9 103.08 4.60 0 5 9 26.87 2.74 0 6 9 66.26 3.80 1 6 9 19.40 2.81 2 6 9 20.06 3.06 3 6 9 14.71 3.34 2 7 9 3.21 2.89 1 7 9 4.75 2.47 0 7 9 18.65 3.14 0 8 9 22.73 3.60 1 8 9 12.30 3.15 0 8 10 -1.01 2.73 0 7 10 50.50 4.17 1 7 10 6.96 2.57 2 7 10 4.52 2.34 3 6 10 31.82 3.86 2 6 10 0.89 2.22 1 6 10 111.77 5.23 0 6 10 29.78 3.00 0 5 10 7.91 2.73 1 5 10 142.00 5.23 2 5 10 32.02 2.98 3 5 10 1.22 2.37 4 5 10 7.69 2.39 5 4 10 92.57 5.47 4 4 10 1.05 2.26 3 4 10 -1.36 2.05 2 4 10 98.38 4.59 1 4 10 113.94 4.47 0 4 10 2.49 1.59 0 3 10 63.81 2.97 1 3 10 100.79 3.71 2 3 10 34.41 2.53 3 3 10 49.42 3.25 4 3 10 15.73 2.83 5 3 10 103.80 5.73 6 3 10 31.42 4.20 6 2 10 21.18 3.48 5 2 10 6.33 3.07 4 2 10 96.53 4.54 3 2 10 25.82 2.62 2 2 10 132.75 4.08 1 2 10 -1.57 1.26 0 2 10 289.59 4.86 0 1 10 495.26 5.96 1 1 10 26.10 1.80 2 1 10 568.64 7.33 3 1 10 419.61 6.88 4 1 10 12.34 2.04 5 1 10 48.63 3.77 6 1 10 42.15 3.60 7 1 10 3.93 2.54 7 0 10 -0.97 3.12 6 0 10 8.53 2.33 5 0 10 5.10 1.82 4 0 10 1.04 1.61 3 0 10 25.30 2.12 2 0 10 380.33 5.75 1 0 10 104.77 3.16 0 0 10 -9.58 2.19 0 -1 10 70.34 2.61 1 -1 10 16.90 1.54 2 -1 10 14.52 1.44 3 -1 10 324.60 5.72 4 -1 10 62.58 3.07 5 -1 10 43.74 3.10 6 -1 10 39.45 3.46 7 -1 10 9.42 3.02 8 -2 10 6.72 2.26 7 -2 10 1.79 1.89 6 -2 10 80.34 4.45 5 -2 10 1.02 1.64 4 -2 10 0.32 1.31 3 -2 10 -2.30 1.08 2 -2 10 160.65 4.05 1 -2 10 922.46 8.42 0 -2 10 -0.22 0.99 0 -3 10 1.03 0.94 1 -3 10 391.10 6.05 2 -3 10 58.14 2.74 3 -3 10 22.66 1.94 4 -3 10 204.00 5.41 5 -3 10 37.65 3.01 6 -3 10 10.12 2.13 7 -3 10 4.77 2.14 8 -3 10 13.64 2.86 8 -4 10 0.21 2.16 7 -4 10 17.31 3.48 6 -4 10 11.10 2.27 5 -4 10 0.80 2.10 4 -4 10 14.57 2.35 3 -4 10 33.28 2.31 2 -4 10 134.40 4.08 1 -4 10 133.35 4.11 0 -4 10 214.18 5.18 0 -5 10 0.47 1.75 1 -5 10 0.57 1.35 2 -5 10 13.46 1.98 3 -5 10 3.66 1.48 4 -5 10 -0.38 1.65 5 -5 10 37.18 3.30 6 -5 10 64.25 3.95 7 -5 10 2.94 1.60 8 -5 10 -2.53 2.42 7 -6 10 19.84 3.34 6 -6 10 1.03 2.14 5 -6 10 38.98 3.47 4 -6 10 35.97 3.06 3 -6 10 44.41 3.15 2 -6 10 124.83 4.94 1 -6 10 62.05 3.57 0 -6 10 85.02 4.13 0 -7 10 22.53 2.78 1 -7 10 4.02 1.83 2 -7 10 22.60 2.60 3 -7 10 39.12 3.15 4 -7 10 0.48 1.81 5 -7 10 9.55 2.26 6 -7 10 7.80 2.69 7 -7 10 1.64 2.32 6 -8 10 9.14 2.79 5 -8 10 -0.57 2.20 4 -8 10 70.59 4.43 3 -8 10 -2.46 2.31 2 -8 10 6.68 2.73 1 -8 10 14.76 2.91 0 -8 10 35.30 3.59 1 -9 10 -1.67 2.54 2 -9 10 65.69 4.92 3 -9 10 14.10 3.26 4 -9 10 7.78 2.42 5 -9 10 1.91 2.57 4 -9 11 6.69 2.37 3 -9 11 7.20 2.66 2 -9 11 15.94 3.40 1 -9 11 3.19 2.12 0 -8 11 30.89 3.50 1 -8 11 8.48 2.50 2 -8 11 23.42 3.05 3 -8 11 2.71 1.80 4 -8 11 76.84 4.61 5 -8 11 1.94 2.22 6 -8 11 14.34 2.95 7 -7 11 3.78 2.52 6 -7 11 11.24 2.71 5 -7 11 44.00 3.93 4 -7 11 1.15 1.72 3 -7 11 24.67 2.82 2 -7 11 47.54 3.48 1 -7 11 7.80 2.07 0 -7 11 37.64 3.45 0 -6 11 4.15 1.64 1 -6 11 6.17 1.94 2 -6 11 238.03 6.45 3 -6 11 42.17 3.23 4 -6 11 5.89 2.00 5 -6 11 239.52 6.98 6 -6 11 17.48 3.07 7 -6 11 13.44 3.00 7 -5 11 2.64 2.14 6 -5 11 13.46 2.62 5 -5 11 60.81 4.10 4 -5 11 17.20 2.32 3 -5 11 25.80 2.36 2 -5 11 28.52 2.58 1 -5 11 1.06 1.28 0 -5 11 38.94 2.87 0 -4 11 273.16 6.01 1 -4 11 217.51 5.33 2 -4 11 2.19 1.48 3 -4 11 13.57 1.81 4 -4 11 273.54 6.44 5 -4 11 178.36 5.72 6 -4 11 9.08 2.01 7 -4 11 26.82 3.13 8 -4 11 8.69 2.19 8 -3 11 0.85 2.68 7 -3 11 0.36 2.29 6 -3 11 5.16 1.93 5 -3 11 49.07 3.19 4 -3 11 -0.12 1.53 3 -3 11 5.65 1.51 2 -3 11 1.22 1.03 1 -3 11 17.78 1.76 0 -3 11 0.37 1.09 0 -2 11 343.49 5.42 1 -2 11 134.67 3.83 2 -2 11 120.56 3.75 3 -2 11 20.06 1.70 4 -2 11 121.93 4.37 5 -2 11 78.01 4.08 6 -2 11 64.06 3.92 7 -2 11 3.13 2.11 7 -1 11 10.83 2.40 6 -1 11 1.94 1.81 5 -1 11 1.77 1.58 4 -1 11 148.18 4.69 3 -1 11 3.24 1.31 2 -1 11 -0.09 1.10 1 -1 11 11.73 1.24 0 -1 11 23.92 1.79 0 0 11 173.06 4.12 1 0 11 33.62 2.43 2 0 11 19.86 1.74 3 0 11 1.84 1.33 4 0 11 230.24 6.13 5 0 11 39.16 3.01 6 0 11 1.02 2.08 7 0 11 5.78 2.71 7 1 11 5.52 2.62 6 1 11 14.50 2.89 5 1 11 10.16 2.33 4 1 11 19.83 2.36 3 1 11 401.06 7.18 2 1 11 21.56 2.07 1 1 11 84.86 3.09 0 1 11 514.87 6.48 0 2 11 173.73 4.44 1 2 11 32.97 2.22 2 2 11 192.82 5.22 3 2 11 8.47 2.07 4 2 11 22.96 2.93 5 2 11 61.83 4.34 6 2 11 -2.55 2.40 5 3 11 11.13 3.05 4 3 11 39.19 3.48 3 3 11 3.04 1.85 2 3 11 68.32 3.50 1 3 11 80.39 3.62 0 3 11 102.47 3.88 0 4 11 87.56 3.90 1 4 11 4.97 1.94 2 4 11 18.71 2.71 3 4 11 2.67 2.66 4 4 11 -1.08 2.29 5 4 11 1.44 2.87 4 5 11 12.59 2.96 3 5 11 -0.72 2.65 2 5 11 14.21 2.90 1 5 11 35.51 3.04 0 5 11 39.09 3.15 0 6 11 14.60 2.79 1 6 11 5.36 2.57 2 6 11 15.63 3.35 3 6 11 27.01 4.04 2 7 11 1.69 2.45 1 7 11 11.82 2.65 0 7 11 17.50 3.46 0 8 11 -0.83 2.86 0 7 12 26.86 2.96 1 7 12 13.59 3.30 3 6 12 1.05 3.05 2 6 12 -1.71 2.57 1 6 12 -1.91 2.37 0 6 12 6.95 2.45 0 5 12 84.66 4.22 1 5 12 7.38 2.45 2 5 12 95.23 5.23 3 5 12 11.68 3.16 4 5 12 0.21 3.04 5 4 12 4.04 3.38 4 4 12 -1.86 2.71 3 4 12 0.49 2.21 2 4 12 30.43 3.37 1 4 12 59.47 3.44 0 4 12 40.03 3.81 0 3 12 69.88 3.30 1 3 12 196.36 5.36 2 3 12 5.47 2.29 3 3 12 8.82 2.07 4 3 12 126.27 5.56 5 3 12 3.64 2.62 6 2 12 3.85 2.86 5 2 12 92.99 5.12 4 2 12 192.06 6.32 3 2 12 86.68 4.18 2 2 12 216.84 5.56 1 2 12 85.29 3.40 0 2 12 273.78 5.58 0 1 12 54.87 2.71 1 1 12 7.72 1.51 2 1 12 66.18 3.11 3 1 12 41.15 2.79 4 1 12 5.19 2.30 5 1 12 10.40 2.68 6 1 12 4.49 2.29 7 0 12 10.88 2.97 6 0 12 -0.70 2.08 5 0 12 46.20 3.60 4 0 12 61.52 3.63 3 0 12 3.27 2.10 2 0 12 172.73 4.72 1 0 12 839.96 8.70 0 0 12 6.34 3.11 0 -1 12 29.46 1.95 1 -1 12 -0.51 1.09 2 -1 12 1.94 1.31 3 -1 12 -0.84 1.38 4 -1 12 14.13 2.26 5 -1 12 2.85 1.79 6 -1 12 -3.68 1.89 7 -1 12 0.98 2.14 7 -2 12 10.46 2.56 6 -2 12 31.61 3.20 5 -2 12 25.41 2.74 4 -2 12 0.84 1.56 3 -2 12 58.61 2.95 2 -2 12 604.33 7.77 1 -2 12 10.67 1.42 0 -2 12 48.46 2.52 0 -3 12 31.51 2.28 1 -3 12 44.11 2.59 2 -3 12 37.55 2.32 3 -3 12 34.56 2.91 4 -3 12 3.31 1.42 5 -3 12 167.72 5.86 6 -3 12 -0.49 2.01 7 -3 12 0.56 2.13 7 -4 12 60.96 4.44 6 -4 12 37.97 3.49 5 -4 12 10.58 2.59 4 -4 12 52.97 3.49 3 -4 12 2.34 1.53 2 -4 12 162.44 4.78 1 -4 12 0.87 1.25 0 -4 12 179.17 5.16 0 -5 12 154.25 5.05 1 -5 12 0.00 1.52 2 -5 12 1.24 1.45 3 -5 12 86.93 4.03 4 -5 12 22.37 2.84 5 -5 12 4.44 2.18 6 -5 12 36.06 3.62 7 -5 12 2.14 2.22 7 -6 12 -2.84 2.57 6 -6 12 10.55 2.88 5 -6 12 15.03 2.84 4 -6 12 7.48 2.12 3 -6 12 18.22 2.45 2 -6 12 73.69 3.97 1 -6 12 19.09 2.22 0 -6 12 3.56 1.99 0 -7 12 -0.17 2.37 1 -7 12 18.40 2.60 2 -7 12 2.26 2.03 3 -7 12 21.40 3.04 4 -7 12 19.01 2.62 5 -7 12 10.47 2.41 6 -7 12 27.99 3.35 6 -8 12 9.80 2.59 5 -8 12 3.19 2.22 4 -8 12 2.09 2.41 3 -8 12 10.38 2.05 2 -8 12 5.55 2.36 1 -8 12 -0.57 2.10 0 -8 12 3.16 2.68 2 -9 12 3.81 2.65 3 -9 12 30.76 4.14 0 -8 13 1.42 2.29 1 -8 13 18.48 3.15 2 -8 13 2.86 2.58 3 -8 13 10.12 2.80 4 -8 13 5.09 2.32 5 -8 13 2.25 2.12 6 -7 13 6.85 2.78 5 -7 13 58.68 4.17 4 -7 13 12.28 2.38 3 -7 13 2.71 2.44 2 -7 13 0.17 1.88 1 -7 13 107.80 5.02 0 -7 13 -2.83 2.61 0 -6 13 10.01 2.09 1 -6 13 16.74 2.56 2 -6 13 42.63 3.36 3 -6 13 1.65 1.84 4 -6 13 11.10 2.04 5 -6 13 5.30 2.22 6 -6 13 4.51 2.80 7 -6 13 7.31 2.45 7 -5 13 6.01 2.82 6 -5 13 35.01 3.99 5 -5 13 6.21 1.93 4 -5 13 109.38 4.76 3 -5 13 113.66 4.70 2 -5 13 26.56 2.53 1 -5 13 39.86 3.04 0 -5 13 61.62 3.61 0 -4 13 10.24 1.90 1 -4 13 -0.46 1.55 2 -4 13 2.57 1.36 3 -4 13 7.42 1.66 4 -4 13 43.67 3.01 5 -4 13 4.38 2.09 6 -4 13 3.42 2.19 7 -4 13 7.43 3.22 7 -3 13 3.11 1.94 6 -3 13 13.47 2.52 5 -3 13 9.39 2.53 4 -3 13 5.94 1.86 3 -3 13 73.83 3.46 2 -3 13 109.21 3.98 1 -3 13 323.24 6.35 0 -3 13 8.99 1.84 0 -2 13 349.93 5.84 1 -2 13 24.44 2.01 2 -2 13 -1.52 1.41 3 -2 13 129.95 4.27 4 -2 13 27.02 2.66 5 -2 13 105.89 4.78 6 -2 13 2.71 2.10 7 -2 13 29.46 3.53 7 -1 13 0.00 2.43 6 -1 13 2.78 2.07 5 -1 13 31.63 2.95 4 -1 13 3.86 2.06 3 -1 13 74.15 3.60 2 -1 13 69.84 3.14 1 -1 13 97.04 3.59 0 -1 13 84.71 3.18 0 0 13 102.44 4.07 1 0 13 -48.25 4.56 2 0 13 234.48 5.57 3 0 13 14.27 2.02 4 0 13 227.40 6.26 5 0 13 7.96 2.66 6 0 13 0.91 2.22 7 0 13 5.08 2.14 6 1 13 17.44 3.15 5 1 13 0.67 2.11 4 1 13 -2.01 2.29 3 1 13 2.24 1.87 2 1 13 35.43 2.59 1 1 13 39.15 2.47 0 1 13 -0.93 1.23 0 2 13 39.27 2.53 1 2 13 330.14 6.22 2 2 13 4.43 1.66 3 2 13 164.55 5.62 4 2 13 50.50 3.79 5 2 13 49.87 4.27 6 2 13 5.64 2.92 5 3 13 -0.99 2.48 4 3 13 20.21 3.18 3 3 13 3.63 2.37 2 3 13 52.39 3.20 1 3 13 17.90 2.33 0 3 13 3.49 1.68 0 4 13 4.09 1.99 1 4 13 7.56 2.52 2 4 13 9.55 2.50 3 4 13 0.34 2.29 4 4 13 7.51 2.65 3 5 13 11.33 3.15 2 5 13 72.82 4.60 1 5 13 29.42 3.32 0 5 13 34.41 3.29 0 6 13 3.53 2.20 1 6 13 6.85 2.47 2 6 13 -0.20 2.35 1 7 13 13.01 3.22 0 7 13 6.76 2.63 0 7 14 1.00 2.34 2 6 14 1.83 2.15 1 6 14 0.56 2.58 0 6 14 65.89 4.73 0 5 14 29.02 3.18 1 5 14 7.07 2.74 2 5 14 -1.98 2.50 3 5 14 -0.60 2.65 4 4 14 10.58 3.62 3 4 14 10.10 2.62 2 4 14 24.46 3.58 1 4 14 135.91 5.31 0 4 14 12.43 2.18 0 3 14 10.56 1.92 1 3 14 9.24 2.13 2 3 14 4.24 2.02 3 3 14 5.86 2.24 4 3 14 -1.80 2.62 5 3 14 3.49 2.60 5 2 14 2.82 2.66 4 2 14 28.60 3.49 3 2 14 233.84 6.72 2 2 14 13.73 2.18 1 2 14 -0.23 1.91 0 2 14 110.46 4.05 0 1 14 100.09 3.65 1 1 14 23.56 2.22 2 1 14 13.40 2.10 3 1 14 111.86 4.57 4 1 14 101.75 4.69 5 1 14 2.60 2.19 6 1 14 7.22 2.31 6 0 14 -3.59 2.48 5 0 14 161.92 6.45 4 0 14 5.08 2.27 3 0 14 15.92 2.33 2 0 14 27.12 2.53 1 0 14 351.09 6.29 0 0 14 22.39 3.06 0 -1 14 191.53 4.87 1 -1 14 287.44 5.92 2 -1 14 109.24 3.94 3 -1 14 161.38 5.38 4 -1 14 45.84 3.26 5 -1 14 10.46 2.39 6 -1 14 -1.44 2.24 7 -1 14 8.36 2.97 7 -2 14 4.27 2.36 6 -2 14 17.60 2.85 5 -2 14 2.60 2.08 4 -2 14 39.90 2.93 3 -2 14 75.08 3.63 2 -2 14 159.82 4.80 1 -2 14 69.43 3.14 0 -2 14 173.63 4.85 0 -3 14 27.13 2.21 1 -3 14 23.95 2.30 2 -3 14 389.16 7.35 3 -3 14 23.82 2.45 4 -3 14 2.58 1.64 5 -3 14 134.92 5.54 6 -3 14 12.08 2.93 7 -3 14 6.62 2.63 7 -4 14 -1.82 2.69 6 -4 14 -1.96 2.43 5 -4 14 35.03 3.37 4 -4 14 3.27 1.80 3 -4 14 0.65 1.49 2 -4 14 10.26 1.91 1 -4 14 25.89 2.33 0 -4 14 -2.24 1.55 0 -5 14 24.46 2.94 1 -5 14 123.77 4.76 2 -5 14 9.98 2.12 3 -5 14 227.72 6.68 4 -5 14 19.41 2.61 5 -5 14 33.65 3.44 6 -5 14 73.50 4.85 7 -5 14 50.67 4.29 6 -6 14 -3.49 2.33 5 -6 14 -3.01 2.26 4 -6 14 0.99 1.76 3 -6 14 35.91 3.29 2 -6 14 0.15 1.99 1 -6 14 39.83 3.49 0 -6 14 -3.68 2.04 0 -7 14 10.05 2.77 1 -7 14 49.20 3.98 2 -7 14 19.57 2.64 3 -7 14 -0.35 2.09 4 -7 14 1.82 1.97 5 -7 14 27.33 3.32 6 -7 14 9.55 3.12 5 -8 14 14.56 2.81 4 -8 14 30.06 3.45 3 -8 14 0.79 2.14 2 -8 14 19.05 3.44 1 -8 14 3.20 2.28 0 -8 14 16.27 3.02 1 -8 15 -2.68 2.67 2 -8 15 -2.63 2.47 3 -8 15 4.67 1.85 4 -8 15 34.76 3.49 5 -7 15 1.99 2.70 4 -7 15 -1.13 2.01 3 -7 15 6.00 1.97 2 -7 15 8.27 2.36 1 -7 15 2.55 2.11 0 -7 15 0.38 2.46 0 -6 15 47.14 4.10 1 -6 15 5.96 2.13 2 -6 15 47.36 3.40 3 -6 15 -2.13 2.50 4 -6 15 11.67 2.57 5 -6 15 3.31 2.07 6 -6 15 17.89 3.03 6 -5 15 5.73 3.00 5 -5 15 -3.63 2.72 4 -5 15 18.40 2.70 3 -5 15 9.68 2.33 2 -5 15 10.20 2.36 1 -5 15 0.29 1.87 0 -5 15 13.12 3.06 0 -4 15 8.42 1.98 1 -4 15 42.76 3.31 2 -4 15 4.84 1.85 3 -4 15 0.00 1.72 4 -4 15 116.31 4.95 5 -4 15 -2.80 2.29 6 -4 15 2.77 2.20 7 -4 15 1.67 2.77 7 -3 15 4.78 2.32 6 -3 15 70.17 4.79 5 -3 15 17.36 2.64 4 -3 15 45.58 3.22 3 -3 15 30.87 2.77 2 -3 15 9.37 2.10 1 -3 15 17.93 2.05 0 -3 15 5.48 1.74 0 -2 15 77.95 3.53 1 -2 15 2.88 1.68 2 -2 15 55.04 3.33 3 -2 15 -0.38 1.53 4 -2 15 -1.56 1.87 5 -2 15 13.78 2.20 6 -2 15 3.48 2.16 7 -2 15 9.88 2.81 6 -1 15 1.88 2.09 5 -1 15 23.55 3.05 4 -1 15 73.29 4.09 3 -1 15 170.56 5.41 2 -1 15 37.50 3.23 1 -1 15 95.65 4.17 0 -1 15 162.00 4.68 0 0 15 -0.53 2.77 1 0 15 -287.76 8.74 2 0 15 51.10 3.24 3 0 15 8.78 2.13 4 0 15 35.11 3.44 5 0 15 3.41 2.65 6 0 15 6.08 2.46 6 1 15 2.91 2.81 5 1 15 7.24 2.57 4 1 15 3.79 2.29 3 1 15 54.13 3.62 2 1 15 156.65 5.25 1 1 15 43.62 2.81 0 1 15 82.65 3.74 0 2 15 11.41 1.86 1 2 15 62.52 3.42 2 2 15 0.41 1.57 3 2 15 86.73 4.66 4 2 15 42.74 3.99 5 2 15 13.66 3.44 5 3 15 0.85 2.79 4 3 15 25.85 3.78 3 3 15 -1.00 2.60 2 3 15 -1.04 2.27 1 3 15 14.43 2.13 0 3 15 4.73 2.15 0 4 15 3.57 1.98 1 4 15 95.08 4.91 2 4 15 56.24 3.85 3 4 15 1.85 2.25 4 4 15 5.18 3.05 3 5 15 1.65 2.55 2 5 15 2.43 2.64 1 5 15 0.00 2.42 0 5 15 30.94 3.40 0 6 15 54.46 4.54 1 6 15 33.71 3.93 2 6 15 2.96 2.60 0 7 15 1.66 2.71 1 6 16 22.51 3.67 0 6 16 5.34 2.87 0 5 16 2.37 2.73 1 5 16 13.14 2.58 2 5 16 13.47 3.26 3 4 16 -2.12 2.59 2 4 16 -1.22 2.76 1 4 16 16.52 2.94 0 4 16 0.75 2.21 0 3 16 11.97 2.42 1 3 16 57.42 3.84 2 3 16 40.50 3.46 3 3 16 1.57 2.02 4 3 16 5.08 2.92 5 2 16 -4.67 2.59 4 2 16 6.08 2.96 3 2 16 2.70 2.42 2 2 16 -2.00 2.03 1 2 16 49.61 3.14 0 2 16 35.18 2.65 0 1 16 178.82 5.26 1 1 16 8.33 2.13 2 1 16 463.14 8.53 3 1 16 6.62 2.43 4 1 16 -1.66 2.31 5 1 16 -4.16 2.59 6 0 16 2.45 2.24 5 0 16 11.77 3.44 4 0 16 15.98 2.69 3 0 16 16.29 2.52 2 0 16 200.25 5.84 1 0 16 65.97 3.46 0 0 16 -0.45 2.57 0 -1 16 54.38 3.25 1 -1 16 681.78 9.40 2 -1 16 139.65 4.94 3 -1 16 2.03 1.94 4 -1 16 175.54 5.99 5 -1 16 0.00 2.45 6 -1 16 5.09 2.27 6 -2 16 6.68 2.13 5 -2 16 12.93 2.63 4 -2 16 1.05 1.80 3 -2 16 0.27 1.72 2 -2 16 111.90 4.40 1 -2 16 107.97 4.43 0 -2 16 211.53 5.80 0 -3 16 0.89 1.76 1 -3 16 94.51 4.07 2 -3 16 21.90 2.25 3 -3 16 2.07 1.90 4 -3 16 -1.21 1.91 5 -3 16 33.67 3.53 6 -3 16 10.44 2.80 6 -4 16 7.12 2.63 5 -4 16 40.51 3.83 4 -4 16 13.63 2.56 3 -4 16 6.69 1.94 2 -4 16 213.36 6.22 1 -4 16 476.44 8.60 0 -4 16 4.31 2.02 0 -5 16 32.31 3.14 1 -5 16 0.45 2.10 2 -5 16 0.45 1.76 3 -5 16 16.10 2.37 4 -5 16 20.91 3.01 5 -5 16 3.06 2.24 6 -5 16 -7.74 2.86 6 -6 16 65.17 4.60 5 -6 16 9.76 2.55 4 -6 16 8.05 2.65 3 -6 16 51.23 3.70 2 -6 16 211.31 7.07 1 -6 16 2.52 2.45 0 -6 16 6.42 2.56 0 -7 16 0.98 2.29 1 -7 16 0.76 2.05 2 -7 16 7.28 2.22 3 -7 16 4.72 1.97 4 -7 16 3.12 2.52 5 -7 16 3.09 2.23 3 -8 16 1.68 2.88 2 -8 16 -1.47 2.56 4 -7 17 1.82 2.02 3 -7 17 6.08 2.77 2 -7 17 1.75 2.10 1 -7 17 9.81 2.37 0 -7 17 4.67 2.16 0 -6 17 7.42 2.46 1 -6 17 12.82 2.44 2 -6 17 5.24 2.81 3 -6 17 33.01 3.60 4 -6 17 7.09 2.52 5 -6 17 1.59 2.14 6 -5 17 -0.62 2.29 5 -5 17 -0.56 2.33 4 -5 17 5.56 2.14 3 -5 17 38.90 3.56 2 -5 17 9.22 2.29 1 -5 17 3.96 2.09 0 -5 17 3.24 2.08 0 -4 17 24.09 3.00 1 -4 17 1.16 2.10 2 -4 17 93.52 4.49 3 -4 17 7.52 2.35 4 -4 17 45.29 3.74 5 -4 17 72.51 4.68 6 -4 17 7.61 2.75 6 -3 17 16.42 2.94 5 -3 17 -3.00 2.37 4 -3 17 0.16 1.99 3 -3 17 15.95 2.51 2 -3 17 1.52 1.72 1 -3 17 2.15 1.99 0 -3 17 55.24 3.39 0 -2 17 301.83 6.76 1 -2 17 29.72 3.17 2 -2 17 -4.52 2.04 3 -2 17 66.76 3.94 4 -2 17 -0.94 1.93 5 -2 17 0.71 2.27 6 -2 17 0.60 2.46 6 -1 17 16.92 3.03 5 -1 17 28.37 3.50 4 -1 17 30.12 3.06 3 -1 17 2.01 1.73 2 -1 17 28.74 3.44 1 -1 17 128.59 5.20 0 -1 17 4.29 1.90 0 0 17 -0.37 2.39 1 0 17 -192.05 7.59 2 0 17 -3.77 3.46 3 0 17 58.04 3.65 4 0 17 7.10 2.22 5 0 17 3.36 2.67 6 0 17 0.64 3.54 5 1 17 13.61 3.19 4 1 17 14.30 2.92 3 1 17 2.02 2.06 2 1 17 143.66 5.63 1 1 17 47.65 3.57 0 1 17 12.59 2.58 0 2 17 1.87 1.80 1 2 17 20.89 2.52 2 2 17 9.09 2.26 3 2 17 39.15 3.53 4 2 17 8.24 2.95 5 2 17 4.44 3.37 4 3 17 12.83 3.61 3 3 17 -4.20 2.24 2 3 17 8.27 2.51 1 3 17 9.63 2.66 0 3 17 22.42 3.14 0 4 17 -3.03 2.24 1 4 17 -1.18 2.26 2 4 17 1.28 2.38 3 4 17 0.60 2.49 2 5 17 1.43 3.04 1 5 17 -0.94 2.41 0 5 17 15.62 3.52 0 6 17 -1.79 2.95 1 6 17 13.52 3.72 0 6 18 6.23 3.14 0 5 18 89.64 5.44 1 5 18 9.86 2.99 2 5 18 -3.18 3.10 3 4 18 1.26 2.46 2 4 18 -2.30 2.66 1 4 18 34.13 3.59 0 4 18 19.68 3.07 0 3 18 127.16 5.43 1 3 18 2.26 2.48 2 3 18 -0.17 2.04 3 3 18 -2.10 2.44 4 3 18 6.80 2.87 4 2 18 5.29 2.78 3 2 18 32.59 3.45 2 2 18 17.82 2.68 1 2 18 11.19 2.84 0 2 18 55.98 3.53 0 1 18 5.13 1.70 1 1 18 68.19 4.07 2 1 18 -1.20 2.17 3 1 18 21.39 2.75 4 1 18 -2.93 2.35 5 1 18 -2.88 2.84 5 0 18 37.89 3.90 4 0 18 1.04 2.55 3 0 18 -1.88 2.20 2 0 18 -7.76 2.54 1 0 18 383.94 7.90 0 0 18 12.87 2.77 0 -1 18 -3.55 2.08 1 -1 18 169.95 5.85 2 -1 18 54.05 3.65 3 -1 18 6.55 2.05 4 -1 18 14.29 2.86 5 -1 18 -2.07 2.31 6 -1 18 -1.27 2.44 6 -2 18 15.15 2.84 5 -2 18 1.85 2.34 4 -2 18 57.30 3.95 3 -2 18 22.91 2.93 2 -2 18 53.44 3.47 1 -2 18 240.68 6.65 0 -2 18 659.59 10.21 0 -3 18 73.95 4.20 1 -3 18 35.82 3.12 2 -3 18 -0.15 2.32 3 -3 18 -0.31 2.45 4 -3 18 0.84 2.05 5 -3 18 -5.55 2.52 6 -3 18 -2.48 2.63 6 -4 18 -2.09 2.30 5 -4 18 52.28 4.11 4 -4 18 10.21 2.54 3 -4 18 -1.78 2.07 2 -4 18 1.55 2.10 1 -4 18 1.83 2.31 0 -4 18 2.02 2.16 0 -5 18 26.56 3.18 1 -5 18 15.98 2.54 2 -5 18 2.84 2.00 3 -5 18 -1.21 2.31 4 -5 18 5.46 2.79 5 -5 18 1.57 2.42 5 -6 18 7.87 3.06 4 -6 18 -1.95 2.10 3 -6 18 27.23 3.86 2 -6 18 1.83 2.36 1 -6 18 4.22 2.33 0 -6 18 0.57 2.19 0 -7 18 0.21 2.48 1 -7 18 22.85 3.34 2 -7 18 0.61 2.29 3 -7 18 7.76 2.57 4 -7 18 3.16 2.10 3 -7 19 14.44 2.77 2 -7 19 14.50 2.80 1 -7 19 19.31 3.04 0 -6 19 -1.18 2.10 1 -6 19 0.96 2.04 2 -6 19 4.02 1.96 3 -6 19 11.31 2.89 4 -6 19 -0.61 2.14 5 -5 19 3.89 2.14 4 -5 19 50.17 4.35 3 -5 19 27.88 3.45 2 -5 19 5.98 2.18 1 -5 19 13.65 2.91 0 -5 19 14.48 2.61 0 -4 19 9.83 2.16 1 -4 19 12.28 2.43 2 -4 19 35.39 3.21 3 -4 19 6.31 2.22 4 -4 19 11.46 2.38 5 -4 19 48.20 4.07 5 -3 19 6.40 2.62 4 -3 19 4.06 2.07 3 -3 19 22.78 2.87 2 -3 19 43.71 3.11 1 -3 19 -1.37 1.95 0 -3 19 60.24 3.81 0 -2 19 122.65 5.50 1 -2 19 119.64 5.48 2 -2 19 6.64 2.32 3 -2 19 63.85 3.98 4 -2 19 20.84 2.74 5 -2 19 3.29 1.95 5 -1 19 -2.37 2.51 4 -1 19 0.00 2.04 3 -1 19 6.78 2.44 2 -1 19 35.41 3.49 1 -1 19 116.94 4.81 0 -1 19 19.44 3.16 0 0 19 35.88 3.42 1 0 19 54.78 4.79 2 0 19 59.34 3.74 3 0 19 3.15 2.51 4 0 19 -4.76 2.36 5 0 19 7.16 2.96 4 1 19 1.73 2.13 3 1 19 11.65 2.34 2 1 19 6.38 1.90 1 1 19 23.50 2.89 0 1 19 20.94 2.65 0 2 19 6.38 1.97 1 2 19 56.62 3.89 2 2 19 11.55 2.47 3 2 19 7.05 2.78 4 2 19 0.62 2.33 3 3 19 -1.81 2.84 2 3 19 3.49 2.16 1 3 19 58.85 4.20 0 3 19 3.91 2.22 0 4 19 8.17 2.49 1 4 19 2.43 2.47 2 4 19 9.85 2.66 1 5 19 0.21 2.59 0 5 19 77.86 5.10 0 5 20 -3.08 3.00 2 4 20 1.90 2.61 1 4 20 0.20 2.65 0 4 20 20.22 3.18 0 3 20 22.79 3.19 1 3 20 -1.26 2.65 2 3 20 1.74 2.34 3 3 20 13.67 3.08 3 2 20 19.12 2.96 2 2 20 12.93 2.67 1 2 20 18.52 3.04 0 2 20 1.62 2.08 0 1 20 -2.31 2.28 1 1 20 22.01 2.53 2 1 20 1.69 2.22 3 1 20 5.14 2.41 4 1 20 4.65 1.97 4 0 20 18.68 2.55 3 0 20 44.39 3.75 2 0 20 -15.29 3.17 1 0 20 -6.32 4.30 0 0 20 4.51 3.08 0 -1 20 224.51 6.56 1 -1 20 14.51 2.99 2 -1 20 2.71 2.24 3 -1 20 1.71 2.24 4 -1 20 2.62 2.52 5 -1 20 12.20 2.52 5 -2 20 -3.25 2.60 4 -2 20 14.03 2.78 3 -2 20 9.88 2.49 2 -2 20 8.67 2.42 1 -2 20 98.64 4.97 0 -2 20 -5.71 2.90 0 -3 20 38.99 3.66 1 -3 20 3.70 2.16 2 -3 20 1.48 1.83 3 -3 20 71.93 4.39 4 -3 20 -0.93 2.19 5 -3 20 6.09 2.94 5 -4 20 2.69 2.33 4 -4 20 -0.76 2.31 3 -4 20 3.78 2.23 2 -4 20 2.77 1.88 1 -4 20 2.56 1.75 0 -4 20 6.57 2.41 0 -5 20 7.88 2.52 1 -5 20 12.33 2.75 2 -5 20 12.02 2.63 3 -5 20 -0.57 2.16 4 -5 20 59.97 4.49 4 -6 20 0.42 2.10 3 -6 20 -1.43 2.17 2 -6 20 2.20 2.49 1 -6 20 5.62 2.34 0 -6 20 2.06 2.24 1 -6 21 1.05 1.91 2 -6 21 0.42 2.37 4 -5 21 28.06 3.88 3 -5 21 2.00 2.43 2 -5 21 3.50 1.78 1 -5 21 7.16 2.73 0 -5 21 10.83 2.82 0 -4 21 9.49 2.22 1 -4 21 2.53 2.47 2 -4 21 8.96 2.54 3 -4 21 9.86 2.53 4 -4 21 5.02 2.52 5 -3 21 10.86 2.83 4 -3 21 0.78 2.18 3 -3 21 0.92 2.61 2 -3 21 8.04 2.33 1 -3 21 -2.73 2.07 0 -3 21 4.12 2.69 0 -2 21 118.17 5.38 1 -2 21 35.64 3.52 2 -2 21 28.97 3.37 3 -2 21 20.01 3.26 4 -2 21 2.72 2.35 5 -2 21 18.75 3.12 4 -1 21 5.51 2.71 3 -1 21 20.10 3.70 2 -1 21 -10.52 3.16 1 -1 21 51.94 3.83 0 -1 21 3.37 2.34 0 0 21 2.25 2.73 1 0 21 40.44 3.86 2 0 21 3.97 2.19 3 0 21 4.82 3.03 4 0 21 4.66 2.15 4 1 21 2.33 2.43 3 1 21 10.07 2.79 2 1 21 15.79 3.07 1 1 21 -0.51 2.26 0 1 21 84.11 4.68 0 2 21 52.03 3.98 1 2 21 6.25 2.58 2 2 21 4.93 2.24 3 2 21 -5.13 2.60 2 3 21 10.38 2.52 1 3 21 6.30 2.36 0 3 21 0.36 2.59 0 4 21 5.72 2.93 1 4 21 8.27 2.85 0 4 22 12.68 3.06 0 3 22 -2.32 2.76 1 3 22 2.22 2.25 2 2 22 -0.60 2.48 1 2 22 27.79 3.51 0 2 22 3.10 2.78 0 1 22 2.97 3.11 1 1 22 24.50 3.29 2 1 22 14.63 2.97 3 1 22 10.82 3.12 4 0 22 2.77 2.67 3 0 22 0.98 2.95 2 0 22 -1.28 3.14 1 0 22 3.15 3.03 0 0 22 4.27 2.41 0 -1 22 -1.37 2.43 1 -1 22 2.60 2.49 2 -1 22 128.63 5.84 3 -1 22 20.11 3.49 4 -1 22 -0.41 2.81 4 -2 22 2.87 2.21 3 -2 22 -1.72 2.31 2 -2 22 0.00 2.30 1 -2 22 -3.86 2.69 0 -2 22 36.61 3.87 0 -3 22 32.68 3.56 1 -3 22 5.61 2.18 2 -3 22 17.94 3.05 3 -3 22 26.10 3.40 4 -3 22 2.89 2.64 4 -4 22 -6.12 2.64 3 -4 22 3.40 2.39 2 -4 22 10.22 2.58 1 -4 22 27.79 3.10 0 -4 22 -0.96 2.75 0 -5 22 21.49 3.77 1 -5 22 9.35 2.97 2 -5 22 0.20 2.07 3 -5 22 -1.05 2.36 0 -4 23 54.11 4.20 1 -4 23 5.82 2.64 2 -4 23 15.85 3.27 3 -4 23 3.78 2.24 3 -3 23 0.20 2.30 2 -3 23 1.56 2.26 1 -3 23 4.79 2.40 0 -3 23 27.85 3.30 0 -2 23 -2.77 2.62 1 -2 23 39.43 3.74 2 -2 23 8.61 3.02 3 -2 23 0.40 2.22 3 -1 23 6.07 2.22 2 -1 23 26.74 4.22 1 -1 23 5.15 2.05 0 -1 23 5.45 2.55 0 0 23 1.09 2.63 1 0 23 -4.27 2.74 2 0 23 8.93 2.99 3 0 23 7.86 3.97 2 1 23 0.00 2.56 1 1 23 -3.06 2.49 0 1 23 48.28 4.30 0 2 23 0.39 2.19 1 2 23 2.40 2.94 2 2 23 4.64 2.72 1 3 23 8.92 3.53 0 3 23 14.50 2.99 1 2 24 3.38 3.18 0 2 24 3.07 2.58 0 1 24 -35.25 4.83 1 1 24 -2.63 2.42 2 1 24 1.48 2.81 2 0 24 -4.52 2.95 1 0 24 -2.96 2.79 0 0 24 14.47 3.39 0 -1 24 -4.43 2.55 1 -1 24 6.44 2.51 2 -1 24 0.20 2.67 3 -2 24 -2.34 2.66 2 -2 24 0.00 2.43 1 -2 24 10.84 3.28 0 -2 24 1.57 2.64 0 -3 24 0.00 2.43 1 -3 24 0.20 2.33 2 -3 24 4.54 2.46 1 -4 24 6.35 2.84 0 -2 25 56.00 4.06 1 -2 25 21.06 3.46 1 -1 25 2.89 2.70 0 -1 25 3.47 2.11 0 0 25 35.81 3.92 1 0 25 5.01 2.55 0 1 25 1.88 2.31 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 20604 _shelx_res_file ; TITL etr-pnb_a.res in P-1 etr-pnb.res created by SHELXL-2018/3 at 11:35:46 on 02-May-2024 REM Old TITL REM SHELXT solution in P-1: R1 0.180, Rweak 0.013, Alpha 0.048 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C29 O4 N S Cl CELL 0.71073 7.489 8.302 21.384 93.03 91.61 111.17 ZERR 2 0.0015 0.0017 0.0043 0.03 0.03 0.03 LATT 1 SFAC C H Cl N O S UNIT 50 40 2 6 12 2 L.S. 50 PLAN 5 SIZE 3.6 1 0.08 TEMP 20(2) CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.079800 0.541900 FVAR 0.66146 S1 6 0.847919 0.356658 0.094572 11.00000 0.04630 0.03146 = 0.05898 0.00007 0.00415 0.01307 CL1 3 0.140614 1.076810 0.067106 11.00000 0.07251 0.06384 = 0.06710 0.00573 -0.00983 0.03935 O2 5 0.798540 0.230928 0.140077 11.00000 0.06339 0.04559 = 0.09853 0.02752 0.02597 0.02403 O1 5 0.812853 0.298552 0.029487 11.00000 0.08096 0.06365 = 0.06544 -0.02492 -0.01192 0.03322 N1 4 0.387837 1.057467 0.230879 11.00000 0.04555 0.05129 = 0.04540 0.00017 0.01071 0.01865 N2 4 0.667580 0.880601 0.373481 11.00000 0.05523 0.07273 = 0.03788 0.00348 0.00423 0.02020 C12 1 0.486775 0.955177 0.216315 11.00000 0.03285 0.04069 = 0.03807 0.00494 0.00897 0.00827 O3 5 0.430956 0.771888 0.466404 11.00000 0.08172 0.14006 = 0.05700 0.03363 0.02142 0.04957 AFIX 147 H3A 2 0.520030 0.802104 0.442875 11.00000 -1.50000 AFIX 0 C4 1 0.565898 0.745590 0.141265 11.00000 0.03410 0.03684 = 0.04161 0.00095 0.00221 0.01190 C9 1 0.368781 0.914870 0.109697 11.00000 0.04282 0.03435 = 0.04386 0.00220 0.00116 0.00939 AFIX 43 H9 2 0.362521 0.868856 0.068731 11.00000 -1.20000 AFIX 0 C8 1 0.474623 0.874230 0.156367 11.00000 0.03574 0.03547 = 0.04137 0.00337 0.00763 0.00906 O4 5 0.642315 0.715732 0.527559 11.00000 0.06728 0.15443 = 0.07910 0.03737 0.01505 0.04453 C13 1 0.618392 0.941034 0.267161 11.00000 0.03920 0.04355 = 0.03887 -0.00015 0.00511 0.01221 C10 1 0.273299 1.024017 0.124793 11.00000 0.03937 0.03758 = 0.04959 0.00509 0.00282 0.01140 C6 1 0.630745 0.491213 0.165251 11.00000 0.04110 0.03532 = 0.04738 0.00843 0.00143 0.01015 AFIX 43 H6 2 0.619751 0.402610 0.191480 11.00000 -1.20000 AFIX 0 C1 1 0.731189 0.504464 0.110894 11.00000 0.04447 0.03500 = 0.04631 0.00105 0.00401 0.01556 C5 1 0.547698 0.611017 0.179769 11.00000 0.03736 0.04246 = 0.04154 0.00652 0.00619 0.01130 AFIX 43 H5 2 0.478626 0.601896 0.215731 11.00000 -1.20000 AFIX 0 C11 1 0.282081 1.089839 0.186114 11.00000 0.04028 0.04377 = 0.05817 0.00316 0.01087 0.01780 AFIX 43 H11 2 0.211616 1.158857 0.196183 11.00000 -1.20000 AFIX 0 C17 1 0.809636 0.969735 0.257737 11.00000 0.04454 0.06484 = 0.03816 0.00570 0.00621 0.01432 AFIX 43 H17 2 0.858868 0.999414 0.218755 11.00000 -1.20000 AFIX 0 C14 1 0.557969 0.900181 0.326733 11.00000 0.04423 0.06466 = 0.04268 0.00231 0.00822 0.01823 AFIX 43 H14 2 0.431732 0.885342 0.334677 11.00000 -1.20000 AFIX 0 N3 4 -0.089912 0.513212 0.696851 11.00000 0.08541 0.09380 = 0.05909 0.01005 0.02256 0.02263 C2 1 0.749097 0.635298 0.072184 11.00000 0.07593 0.05571 = 0.04739 0.01169 0.02292 0.03538 AFIX 43 H2 2 0.816541 0.642902 0.035911 11.00000 -1.20000 AFIX 0 C3 1 0.666790 0.755668 0.087181 11.00000 0.07318 0.04714 = 0.04449 0.01623 0.01955 0.03310 AFIX 43 H3 2 0.678967 0.844300 0.060855 11.00000 -1.20000 AFIX 0 C7 1 1.091665 0.485068 0.106546 11.00000 0.04835 0.04696 = 0.06943 0.00022 0.00386 0.01370 AFIX 137 H7A 2 1.115330 0.538391 0.148418 11.00000 -1.50000 H7B 2 1.125870 0.573141 0.077017 11.00000 -1.50000 H7C 2 1.167265 0.413990 0.100761 11.00000 -1.50000 AFIX 0 C16 1 0.926354 0.954367 0.305913 11.00000 0.04192 0.07165 = 0.04475 0.00044 0.00456 0.01557 AFIX 43 H16 2 1.055057 0.975342 0.299770 11.00000 -1.20000 AFIX 0 C15 1 0.852677 0.907915 0.363261 11.00000 0.05243 0.06525 = 0.04227 -0.00448 -0.00336 0.01967 C23 1 0.058707 0.569461 0.650122 11.00000 0.05889 0.06490 = 0.05004 -0.00072 0.01378 0.01548 C20 1 0.331289 0.667542 0.564055 11.00000 0.05326 0.06383 = 0.05104 0.00168 0.00655 0.01714 O6 5 -0.071843 0.418175 0.736115 11.00000 0.13564 0.15713 = 0.08651 0.05017 0.04781 0.05687 O5 5 -0.223458 0.560836 0.694187 11.00000 0.11008 0.18773 = 0.13250 0.05514 0.06627 0.08292 C22 1 0.016096 0.633364 0.596943 11.00000 0.07182 0.09223 = 0.06823 0.01987 0.01826 0.04485 AFIX 43 H22 2 -0.102393 0.643520 0.589932 11.00000 -1.20000 AFIX 0 C19 1 0.486353 0.721106 0.517590 11.00000 0.05920 0.08809 = 0.05270 0.00565 0.00295 0.02621 C21 1 0.156235 0.682718 0.553639 11.00000 0.08009 0.09476 = 0.05628 0.02490 0.01299 0.04189 AFIX 43 H21 2 0.131596 0.727085 0.516712 11.00000 -1.20000 AFIX 0 C18 1 0.974699 0.884941 0.417087 11.00000 0.07310 0.10871 = 0.05318 0.00284 -0.00960 0.03697 AFIX 137 H18A 2 1.051335 0.996260 0.436688 11.00000 -1.50000 H18B 2 1.056925 0.827720 0.401533 11.00000 -1.50000 H18C 2 0.893310 0.816257 0.447215 11.00000 -1.50000 AFIX 0 C25 1 0.367720 0.600873 0.617982 11.00000 0.05973 0.12151 = 0.05443 0.01767 0.00213 0.03580 AFIX 43 H25 2 0.486119 0.590826 0.625341 11.00000 -1.20000 AFIX 0 C24 1 0.229567 0.548649 0.661356 11.00000 0.07873 0.11695 = 0.04669 0.01730 0.00480 0.03409 AFIX 43 H24 2 0.251841 0.500153 0.697601 11.00000 -1.20000 AFIX 0 HKLF 4 REM etr-pnb_a.res in P-1 REM wR2 = 0.1580, GooF = S = 1.040, Restrained GooF = 1.040 for all data REM R1 = 0.0577 for 3212 Fo > 4sig(Fo) and 0.0865 for all 4518 data REM 328 parameters refined using 0 restraints END WGHT 0.0798 0.5419 REM Highest difference peak 0.265, deepest hole -0.373, 1-sigma level 0.078 Q1 1 1.4001 0.4628 0.0610 11.00000 0.05 0.27 Q2 1 -0.1295 0.2804 0.7837 11.00000 0.05 0.23 Q3 1 1.3253 0.3309 0.0604 11.00000 0.05 0.23 Q4 1 0.7775 0.6264 0.4426 11.00000 0.05 0.23 Q5 1 0.4573 0.3445 0.0579 11.00000 0.05 0.23 ; _shelx_res_checksum 34629 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 S S1 0.84792(11) 0.35666(9) 0.09457(4) 0.0460(2) Uani d 1 . . Cl Cl1 0.14061(14) 1.07681(12) 0.06711(4) 0.0640(3) Uani d 1 . . O O2 0.7985(4) 0.2309(3) 0.14008(13) 0.0667(7) Uani d 1 . . O O1 0.8129(4) 0.2986(3) 0.02949(12) 0.0695(7) Uani d 1 . . N N1 0.3878(4) 1.0575(3) 0.23088(12) 0.0471(6) Uani d 1 . . N N2 0.6676(4) 0.8806(4) 0.37348(12) 0.0561(7) Uani d 1 . . C C12 0.4868(4) 0.9552(4) 0.21632(13) 0.0384(7) Uani d 1 . . O O3 0.4310(4) 0.7719(5) 0.46640(13) 0.0890(10) Uani d 1 . . H H3A 0.520030 0.802104 0.442875 0.133 Uiso calc 1 . . C C4 0.5659(4) 0.7456(4) 0.14127(13) 0.0378(6) Uani d 1 . . C C9 0.3688(4) 0.9149(4) 0.10970(14) 0.0417(7) Uani d 1 . . H H9 0.362521 0.868856 0.068731 0.050 Uiso calc 1 . . C C8 0.4746(4) 0.8742(4) 0.15637(13) 0.0385(7) Uani d 1 . . O O4 0.6423(4) 0.7157(5) 0.52756(15) 0.0977(11) Uani d 1 . . C C13 0.6184(4) 0.9410(4) 0.26716(14) 0.0414(7) Uani d 1 . . C C10 0.2733(4) 1.0240(4) 0.12479(15) 0.0428(7) Uani d 1 . . C C6 0.6307(4) 0.4912(4) 0.16525(14) 0.0421(7) Uani d 1 . . H H6 0.619751 0.402610 0.191480 0.051 Uiso calc 1 . . C C1 0.7312(4) 0.5045(4) 0.11089(14) 0.0416(7) Uani d 1 . . C C5 0.5477(4) 0.6110(4) 0.17977(14) 0.0411(7) Uani d 1 . . H H5 0.478626 0.601896 0.215731 0.049 Uiso calc 1 . . C C11 0.2821(4) 1.0898(4) 0.18611(15) 0.0465(8) Uani d 1 . . H H11 0.211616 1.158857 0.196183 0.056 Uiso calc 1 . . C C17 0.8096(4) 0.9697(4) 0.25774(15) 0.0506(8) Uani d 1 . . H H17 0.858868 0.999414 0.218755 0.061 Uiso calc 1 . . C C14 0.5580(5) 0.9002(4) 0.32673(15) 0.0509(8) Uani d 1 . . H H14 0.431732 0.885342 0.334677 0.061 Uiso calc 1 . . N N3 -0.0899(6) 0.5132(5) 0.69685(17) 0.0816(10) Uani d 1 . . C C2 0.7491(5) 0.6353(4) 0.07218(16) 0.0558(9) Uani d 1 . . H H2 0.816541 0.642902 0.035911 0.067 Uiso calc 1 . . C C3 0.6668(5) 0.7557(4) 0.08718(15) 0.0510(8) Uani d 1 . . H H3 0.678967 0.844300 0.060855 0.061 Uiso calc 1 . . C C7 1.0917(5) 0.4851(4) 0.10655(17) 0.0560(9) Uani d 1 . . H H7A 1.115330 0.538391 0.148418 0.084 Uiso calc 1 . . H H7B 1.125870 0.573141 0.077017 0.084 Uiso calc 1 . . H H7C 1.167265 0.413990 0.100761 0.084 Uiso calc 1 . . C C16 0.9264(5) 0.9544(5) 0.30591(15) 0.0543(9) Uani d 1 . . H H16 1.055057 0.975342 0.299770 0.065 Uiso calc 1 . . C C15 0.8527(5) 0.9079(5) 0.36326(15) 0.0542(8) Uani d 1 . . C C23 0.0587(5) 0.5695(5) 0.65012(17) 0.0598(9) Uani d 1 . . C C20 0.3313(5) 0.6675(5) 0.56405(16) 0.0572(9) Uani d 1 . . O O6 -0.0718(6) 0.4182(6) 0.73611(18) 0.1230(14) Uani d 1 . . O O5 -0.2235(6) 0.5608(6) 0.6942(2) 0.1325(16) Uani d 1 . . C C22 0.0161(6) 0.6334(6) 0.59694(19) 0.0724(11) Uani d 1 . . H H22 -0.102393 0.643520 0.589932 0.087 Uiso calc 1 . . C C19 0.4864(6) 0.7211(6) 0.51759(18) 0.0668(10) Uani d 1 . . C C21 0.1562(6) 0.6827(6) 0.55364(19) 0.0733(11) Uani d 1 . . H H21 0.131596 0.727085 0.516712 0.088 Uiso calc 1 . . C C18 0.9747(6) 0.8849(6) 0.41709(18) 0.0776(12) Uani d 1 . . H H18A 1.051335 0.996260 0.436688 0.116 Uiso calc 1 . . H H18B 1.056925 0.827720 0.401533 0.116 Uiso calc 1 . . H H18C 0.893310 0.816257 0.447215 0.116 Uiso calc 1 . . C C25 0.3677(6) 0.6009(6) 0.61798(18) 0.0773(12) Uani d 1 . . H H25 0.486119 0.590826 0.625341 0.093 Uiso calc 1 . . C C24 0.2296(6) 0.5486(6) 0.66136(19) 0.0807(13) Uani d 1 . . H H24 0.251841 0.500153 0.697601 0.097 Uiso calc 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1 0.0463(5) 0.0315(4) 0.0590(5) 0.0131(3) 0.0042(4) 0.0001(3) Cl1 0.0725(6) 0.0638(6) 0.0671(6) 0.0394(5) -0.0098(5) 0.0057(4) O2 0.0634(16) 0.0456(13) 0.099(2) 0.0240(12) 0.0260(14) 0.0275(13) O1 0.0810(18) 0.0636(15) 0.0654(16) 0.0332(14) -0.0119(13) -0.0249(13) N1 0.0455(15) 0.0513(15) 0.0454(15) 0.0187(13) 0.0107(12) 0.0002(12) N2 0.0552(18) 0.073(2) 0.0379(15) 0.0202(15) 0.0042(13) 0.0035(13) C12 0.0328(15) 0.0407(16) 0.0381(16) 0.0083(13) 0.0090(12) 0.0049(13) O3 0.082(2) 0.140(3) 0.0570(18) 0.050(2) 0.0214(15) 0.0336(18) C4 0.0341(15) 0.0368(15) 0.0416(16) 0.0119(12) 0.0022(12) 0.0010(12) C9 0.0428(17) 0.0344(15) 0.0439(17) 0.0094(13) 0.0012(13) 0.0022(13) C8 0.0357(15) 0.0355(15) 0.0414(17) 0.0091(12) 0.0076(12) 0.0034(12) O4 0.067(2) 0.154(3) 0.079(2) 0.045(2) 0.0150(16) 0.037(2) C13 0.0392(17) 0.0435(16) 0.0389(16) 0.0122(13) 0.0051(13) -0.0002(13) C10 0.0394(16) 0.0376(16) 0.0496(18) 0.0114(13) 0.0028(14) 0.0051(13) C6 0.0411(16) 0.0353(15) 0.0474(18) 0.0101(13) 0.0014(14) 0.0084(13) C1 0.0445(17) 0.0350(15) 0.0463(17) 0.0156(13) 0.0040(14) 0.0011(13) C5 0.0374(16) 0.0425(16) 0.0415(17) 0.0113(13) 0.0062(13) 0.0065(13) C11 0.0403(17) 0.0438(17) 0.058(2) 0.0178(14) 0.0109(15) 0.0032(15) C17 0.0445(18) 0.065(2) 0.0382(17) 0.0143(16) 0.0062(14) 0.0057(15) C14 0.0442(18) 0.065(2) 0.0427(18) 0.0182(16) 0.0082(15) 0.0023(15) N3 0.085(3) 0.094(3) 0.059(2) 0.023(2) 0.023(2) 0.0100(19) C2 0.076(2) 0.056(2) 0.0474(19) 0.0354(18) 0.0229(17) 0.0117(16) C3 0.073(2) 0.0471(18) 0.0445(18) 0.0331(17) 0.0195(16) 0.0162(14) C7 0.0484(19) 0.0470(19) 0.069(2) 0.0137(16) 0.0039(17) 0.0002(16) C16 0.0419(18) 0.072(2) 0.0447(19) 0.0156(17) 0.0046(15) 0.0004(16) C15 0.052(2) 0.065(2) 0.0423(19) 0.0197(17) -0.0034(15) -0.0045(16) C23 0.059(2) 0.065(2) 0.050(2) 0.0155(18) 0.0138(17) -0.0007(17) C20 0.053(2) 0.064(2) 0.051(2) 0.0171(17) 0.0066(16) 0.0017(17) O6 0.136(3) 0.157(4) 0.087(2) 0.057(3) 0.048(2) 0.050(3) O5 0.110(3) 0.188(4) 0.133(3) 0.083(3) 0.066(3) 0.055(3) C22 0.072(3) 0.092(3) 0.068(3) 0.045(2) 0.018(2) 0.020(2) C19 0.059(2) 0.088(3) 0.053(2) 0.026(2) 0.0029(18) 0.006(2) C21 0.080(3) 0.095(3) 0.056(2) 0.042(2) 0.013(2) 0.025(2) C18 0.073(3) 0.109(3) 0.053(2) 0.037(3) -0.010(2) 0.003(2) C25 0.060(2) 0.122(4) 0.054(2) 0.036(2) 0.0021(19) 0.018(2) C24 0.079(3) 0.117(4) 0.047(2) 0.034(3) 0.005(2) 0.017(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' Cl Cl 0.1484 0.1585 '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' S S 0.1246 0.1234 '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 O2 S1 O1 . . 118.61(17) ? O2 S1 C1 . . 108.51(15) ? O2 S1 C7 . . 108.62(17) ? O1 S1 C1 . . 108.75(15) ? O1 S1 C7 . . 107.90(18) ? C7 S1 C1 . . 103.38(15) ? C11 N1 C12 . . 118.8(3) ? C14 N2 C15 . . 118.3(3) ? N1 C12 C8 . . 122.5(3) ? N1 C12 C13 . . 115.5(3) ? C8 C12 C13 . . 121.9(3) ? C19 O3 H3A . . 109.5 ? C5 C4 C8 . . 121.0(3) ? C3 C4 C8 . . 120.1(3) ? C3 C4 C5 . . 118.9(3) ? C8 C9 H9 . . 120.5 ? C10 C9 H9 . . 120.5 ? C10 C9 C8 . . 119.1(3) ? C12 C8 C4 . . 123.2(3) ? C9 C8 C12 . . 117.6(3) ? C9 C8 C4 . . 119.2(3) ? C17 C13 C12 . . 121.9(3) ? C14 C13 C12 . . 122.0(3) ? C14 C13 C17 . . 116.2(3) ? C9 C10 Cl1 . . 119.8(2) ? C9 C10 C11 . . 119.8(3) ? C11 C10 Cl1 . . 120.4(2) ? C1 C6 H6 . . 120.4 ? C5 C6 H6 . . 120.4 ? C5 C6 C1 . . 119.1(3) ? C6 C1 S1 . . 118.9(2) ? C2 C1 S1 . . 120.2(2) ? C2 C1 C6 . . 120.8(3) ? C4 C5 H5 . . 119.6 ? C6 C5 C4 . . 120.8(3) ? C6 C5 H5 . . 119.6 ? N1 C11 C10 . . 122.0(3) ? N1 C11 H11 . . 119.0 ? C10 C11 H11 . . 119.0 ? C13 C17 H17 . . 120.0 ? C16 C17 C13 . . 120.1(3) ? C16 C17 H17 . . 120.0 ? N2 C14 C13 . . 124.6(3) ? N2 C14 H14 . . 117.7 ? C13 C14 H14 . . 117.7 ? O6 N3 C23 . . 118.0(4) ? O5 N3 C23 . . 119.1(4) ? O5 N3 O6 . . 122.9(4) ? C1 C2 H2 . . 120.1 ? C1 C2 C3 . . 119.8(3) ? C3 C2 H2 . . 120.1 ? C4 C3 H3 . . 119.7 ? C2 C3 C4 . . 120.6(3) ? C2 C3 H3 . . 119.7 ? S1 C7 H7A . . 109.5 ? S1 C7 H7B . . 109.5 ? S1 C7 H7C . . 109.5 ? H7A C7 H7B . . 109.5 ? H7A C7 H7C . . 109.5 ? H7B C7 H7C . . 109.5 ? C17 C16 H16 . . 120.0 ? C17 C16 C15 . . 119.9(3) ? C15 C16 H16 . . 120.0 ? N2 C15 C16 . . 120.9(3) ? N2 C15 C18 . . 117.4(3) ? C16 C15 C18 . . 121.7(3) ? C22 C23 N3 . . 118.3(4) ? C22 C23 C24 . . 123.0(4) ? C24 C23 N3 . . 118.6(4) ? C21 C20 C19 . . 122.2(3) ? C25 C20 C19 . . 118.2(3) ? C25 C20 C21 . . 119.6(3) ? C23 C22 H22 . . 121.4 ? C23 C22 C21 . . 117.2(4) ? C21 C22 H22 . . 121.4 ? O3 C19 C20 . . 112.6(3) ? O4 C19 O3 . . 124.8(4) ? O4 C19 C20 . . 122.6(4) ? C20 C21 C22 . . 121.3(4) ? C20 C21 H21 . . 119.3 ? C22 C21 H21 . . 119.3 ? C15 C18 H18A . . 109.5 ? C15 C18 H18B . . 109.5 ? C15 C18 H18C . . 109.5 ? H18A C18 H18B . . 109.5 ? H18A C18 H18C . . 109.5 ? H18B C18 H18C . . 109.5 ? C20 C25 H25 . . 119.9 ? C20 C25 C24 . . 120.1(4) ? C24 C25 H25 . . 119.9 ? C23 C24 C25 . . 118.7(4) ? C23 C24 H24 . . 120.7 ? C25 C24 H24 . . 120.7 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag S1 O2 . 1.422(2) ? S1 O1 . 1.434(3) ? S1 C1 . 1.772(3) ? S1 C7 . 1.753(3) ? Cl1 C10 . 1.733(3) ? N1 C12 . 1.344(4) ? N1 C11 . 1.324(4) ? N2 C14 . 1.329(4) ? N2 C15 . 1.348(4) ? C12 C8 . 1.401(4) ? C12 C13 . 1.485(4) ? O3 H3A . 0.8200 ? O3 C19 . 1.303(4) ? C4 C8 . 1.488(4) ? C4 C5 . 1.392(4) ? C4 C3 . 1.389(4) ? C9 H9 . 0.9300 ? C9 C8 . 1.387(4) ? C9 C10 . 1.374(4) ? O4 C19 . 1.198(5) ? C13 C17 . 1.387(4) ? C13 C14 . 1.382(4) ? C10 C11 . 1.384(4) ? C6 H6 . 0.9300 ? C6 C1 . 1.390(4) ? C6 C5 . 1.377(4) ? C1 C2 . 1.371(4) ? C5 H5 . 0.9300 ? C11 H11 . 0.9300 ? C17 H17 . 0.9300 ? C17 C16 . 1.373(4) ? C14 H14 . 0.9300 ? N3 C23 . 1.480(5) ? N3 O6 . 1.219(5) ? N3 O5 . 1.202(5) ? C2 H2 . 0.9300 ? C2 C3 . 1.380(4) ? C3 H3 . 0.9300 ? C7 H7A . 0.9600 ? C7 H7B . 0.9600 ? C7 H7C . 0.9600 ? C16 H16 . 0.9300 ? C16 C15 . 1.375(5) ? C15 C18 . 1.512(5) ? C23 C22 . 1.357(5) ? C23 C24 . 1.368(6) ? C20 C19 . 1.507(5) ? C20 C21 . 1.375(5) ? C20 C25 . 1.367(5) ? C22 H22 . 0.9300 ? C22 C21 . 1.382(5) ? C21 H21 . 0.9300 ? C18 H18A . 0.9600 ? C18 H18B . 0.9600 ? C18 H18C . 0.9600 ? C25 H25 . 0.9300 ? C25 C24 . 1.375(6) ? C24 H24 . 0.9300 ? 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 S1 C1 C2 C3 . . . . -176.3(3) ? Cl1 C10 C11 N1 . . . . -177.4(2) ? O2 S1 C1 C6 . . . . 6.2(3) ? O2 S1 C1 C2 . . . . -177.4(3) ? O1 S1 C1 C6 . . . . 136.5(3) ? O1 S1 C1 C2 . . . . -47.1(3) ? N1 C12 C8 C4 . . . . -173.0(3) ? N1 C12 C8 C9 . . . . 5.7(4) ? N1 C12 C13 C17 . . . . -128.3(3) ? N1 C12 C13 C14 . . . . 51.1(4) ? C12 N1 C11 C10 . . . . -1.1(4) ? C12 C13 C17 C16 . . . . -179.6(3) ? C12 C13 C14 N2 . . . . 177.9(3) ? C9 C10 C11 N1 . . . . 3.2(5) ? C8 C12 C13 C17 . . . . 48.6(4) ? C8 C12 C13 C14 . . . . -132.1(3) ? C8 C4 C5 C6 . . . . 179.3(3) ? C8 C4 C3 C2 . . . . -178.9(3) ? C8 C9 C10 Cl1 . . . . 179.9(2) ? C8 C9 C10 C11 . . . . -0.8(4) ? C13 C12 C8 C4 . . . . 10.3(4) ? C13 C12 C8 C9 . . . . -171.0(3) ? C13 C17 C16 C15 . . . . 1.0(5) ? C10 C9 C8 C12 . . . . -3.4(4) ? C10 C9 C8 C4 . . . . 175.3(3) ? C6 C1 C2 C3 . . . . 0.0(5) ? C1 C6 C5 C4 . . . . -1.0(4) ? C1 C2 C3 C4 . . . . 0.1(5) ? C5 C4 C8 C12 . . . . 46.6(4) ? C5 C4 C8 C9 . . . . -132.1(3) ? C5 C4 C3 C2 . . . . -0.6(5) ? C5 C6 C1 S1 . . . . 176.8(2) ? C5 C6 C1 C2 . . . . 0.4(5) ? C11 N1 C12 C8 . . . . -3.4(4) ? C11 N1 C12 C13 . . . . 173.4(3) ? C17 C13 C14 N2 . . . . -2.7(5) ? C17 C16 C15 N2 . . . . -1.4(5) ? C17 C16 C15 C18 . . . . 178.4(4) ? C14 N2 C15 C16 . . . . -0.2(5) ? C14 N2 C15 C18 . . . . 180.0(3) ? C14 C13 C17 C16 . . . . 1.0(5) ? N3 C23 C22 C21 . . . . -179.1(4) ? N3 C23 C24 C25 . . . . -180.0(4) ? C3 C4 C8 C12 . . . . -135.2(3) ? C3 C4 C8 C9 . . . . 46.2(4) ? C3 C4 C5 C6 . . . . 1.1(4) ? C7 S1 C1 C6 . . . . -109.0(3) ? C7 S1 C1 C2 . . . . 67.4(3) ? C15 N2 C14 C13 . . . . 2.4(5) ? C23 C22 C21 C20 . . . . 0.0(7) ? C20 C25 C24 C23 . . . . -1.8(7) ? O6 N3 C23 C22 . . . . 162.1(4) ? O6 N3 C23 C24 . . . . -15.5(6) ? O5 N3 C23 C22 . . . . -17.0(6) ? O5 N3 C23 C24 . . . . 165.4(5) ? C22 C23 C24 C25 . . . . 2.6(7) ? C19 C20 C21 C22 . . . . -179.8(4) ? C19 C20 C25 C24 . . . . -179.3(4) ? C21 C20 C19 O3 . . . . -3.8(6) ? C21 C20 C19 O4 . . . . 176.5(5) ? C21 C20 C25 C24 . . . . 0.3(7) ? C25 C20 C19 O3 . . . . 175.8(4) ? C25 C20 C19 O4 . . . . -3.9(6) ? C25 C20 C21 C22 . . . . 0.6(7) ? C24 C23 C22 C21 . . . . -1.7(7) ? _cod_database_fobs_code 2312543