#------------------------------------------------------------------------------ #$Date: 2025-03-15 04:05:40 +0100 (Sat, 15 Mar 2025) $ #$Revision: 298462 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/34/2023447.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_2023447 loop_ _publ_author_name 'Shikhaliyev, Namiq Q.' 'Babazade, Aliyar A.' 'Atakishiyeva, Gulnar T.' 'Shikhaliyeva, Irada M.' 'Maharramov, Abel M.' 'Khrustalev, Victor N.' 'Atio\(glu, Zeliha' 'Akkurt, Mehmet' 'Bhattarai, Ajaya' _publ_section_title ; Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromophenyl)[2-(4-methylphenyl)hydrazinylidene]acetate, methyl (2Z)-(4-bromophenyl)[2-(3,5-dimethylphenyl)hydrazinylidene]acetate, methyl (2Z)-[2-(4-methoxyphenyl)hydrazinylidene](3-nitrophenyl)acetate, methyl (2E)-(4-chlorophenyl)(2-phenylhydrazinylidene)acetate and methyl (2Z)-[2-(4-bromophenyl)hydrazinylidene](4-chlorophenyl)acetate ; _journal_coeditor_code WM5749 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989025002051 _journal_volume 81 _journal_year 2025 _chemical_formula_iupac 'C15 H13 Cl N2 O2' _chemical_formula_moiety 'C15 H13 Cl N2 O2' _chemical_formula_sum 'C15 H13 Cl N2 O2' _chemical_formula_weight 288.72 _chemical_name_systematic ; Methyl (E)-2-(4-chlorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetate ; _space_group_crystal_system orthorhombic _space_group_IT_number 61 _space_group_name_Hall '-P 2ac 2ab' _space_group_name_H-M_alt 'P b c a' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary difmap _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2013 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 15.86326(8) _cell_length_b 8.79608(3) _cell_length_c 19.24680(8) _cell_measurement_reflns_used 35974 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 79.486 _cell_measurement_theta_min 4.588 _cell_volume 2685.59(2) _computing_cell_refinement ; CrysAlisPro (Rigaku OD, 2021) ; _computing_data_collection ; CrysAlisPro (Rigaku OD, 2021) ; _computing_data_reduction ; CrysAlisPro (Rigaku OD, 2021) ; _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 1.000 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Rigaku XtaLAB Synergy-S, HyPix-6000HE area-detector' _diffrn_measurement_method '\f and \w' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0303 _diffrn_reflns_av_unetI/netI 0.0143 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 51407 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 80.104 _diffrn_reflns_theta_min 4.595 _diffrn_source 'micro-focus sealed X-ray tube' _exptl_absorpt_coefficient_mu 2.547 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.676 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (CrysAlisPro; Rigaku OD, 2021). ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.428 _exptl_crystal_description prism _exptl_crystal_F_000 1200 _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.06 _refine_diff_density_max 0.289 _refine_diff_density_min -0.284 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.082 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 186 _refine_ls_number_reflns 2935 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.082 _refine_ls_R_factor_all 0.0308 _refine_ls_R_factor_gt 0.0303 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0407P)^2^+1.4066P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0814 _refine_ls_wR_factor_ref 0.0818 _reflns_number_gt 2871 _reflns_number_total 2935 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file wm5749.cif _cod_data_source_block 4 _cod_database_code 2023447 _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 0.750 _shelx_estimated_absorpt_t_max 0.862 _shelx_hkl_file ; 0 0 1 0.03 0.14 0 0 2 1440.59 41.18 0 0 3 0.18 0.46 0 0 4 2971.11 84.95 0 0 5 0.30 0.90 0 0 6 2248.88 65.00 0 0 7 -0.32 0.73 0 0 8 2133.86 62.18 0 0 9 -0.14 0.76 0 0 10 168.18 6.87 0 0 -11 -0.10 0.27 0 0 11 -0.34 0.87 0 0 -11 0.14 0.28 0 0 -12 171.42 5.22 0 0 12 169.76 7.21 0 0 -12 169.42 5.22 0 0 -13 0.15 0.32 0 0 13 -0.21 0.95 0 0 -13 -0.09 0.32 0 0 -14 11.41 0.75 0 0 -14 11.50 0.77 0 0 14 12.08 1.96 0 0 15 0.15 0.41 0 0 -15 0.21 0.39 0 0 15 -0.12 0.41 0 0 15 0.39 0.42 0 0 -15 0.19 0.40 0 0 15 0.74 1.08 0 0 -15 0.04 0.40 0 0 -15 0.31 0.37 0 0 -15 0.20 0.43 0 0 15 0.16 0.41 0 0 -16 93.60 3.19 0 0 16 92.85 3.25 0 0 -16 93.51 3.20 0 0 16 95.16 3.27 0 0 16 94.96 3.25 0 0 -16 98.91 3.26 0 0 -16 91.73 3.13 0 0 16 91.18 3.25 0 0 -16 91.25 3.25 0 0 -16 97.13 3.25 0 0 17 0.17 0.45 0 0 -17 0.39 0.47 0 0 -17 -0.08 0.43 0 0 17 -0.09 0.45 0 0 17 0.13 0.44 0 0 -17 0.13 0.44 0 0 -17 0.17 0.39 0 0 -17 -0.24 0.45 0 0 -17 -0.43 0.46 0 0 17 -0.09 0.47 0 0 -18 794.66 23.24 0 0 18 801.73 23.34 0 0 -18 818.89 23.30 0 0 18 797.25 23.35 0 0 18 793.32 23.33 0 0 -18 816.31 23.35 0 0 -18 780.56 23.17 0 0 -18 803.71 23.33 0 0 -18 822.05 23.35 0 0 -19 0.29 0.49 0 0 19 0.66 0.51 0 0 -19 0.28 0.39 0 0 19 0.26 0.46 0 0 -19 0.25 0.42 0 0 19 0.38 0.46 0 0 -19 0.47 0.46 0 0 -19 0.31 0.50 0 0 -19 0.38 0.47 0 0 19 0.35 0.51 0 0 -20 203.58 6.41 0 0 -20 217.82 6.53 0 0 20 211.78 6.55 0 0 20 207.69 6.54 0 0 20 211.27 6.54 0 0 -20 218.82 6.56 0 0 -20 194.99 6.33 0 0 20 211.97 6.55 0 0 -20 216.13 6.53 0 0 -20 223.46 6.57 0 0 21 0.40 0.46 0 0 21 0.21 0.45 0 0 -21 -0.25 0.40 0 0 -21 -0.07 0.43 0 0 21 0.24 0.47 0 0 21 0.14 0.44 0 0 -21 0.03 0.44 0 0 -21 -0.21 0.40 0 0 -22 19.99 0.96 0 0 22 16.50 0.92 0 0 22 18.45 0.94 0 0 -22 18.77 0.92 0 0 -22 18.43 0.91 0 0 22 18.16 0.96 0 0 22 20.38 0.95 0 0 22 18.95 0.95 0 0 -22 18.08 0.91 0 0 23 0.16 0.32 0 0 23 0.14 0.31 0 0 -23 0.02 0.28 0 0 23 0.15 0.33 0 0 23 0.10 0.30 0 0 23 0.02 0.31 0 0 -23 0.02 0.28 0 0 -23 -0.04 0.27 0 0 -23 0.17 0.33 0 0 24 23.38 0.86 0 0 24 23.80 0.88 0 0 -24 25.22 0.87 0 0 24 22.02 0.85 0 -1 0 0.03 0.25 0 -1 -1 0.25 0.27 0 -1 -2 0.12 0.25 0 -1 2 0.15 0.33 0 1 2 0.09 0.29 0 -1 3 0.83 0.39 0 -1 -3 0.22 0.27 0 1 3 0.32 0.45 0 -1 4 0.25 0.40 0 -1 -4 0.23 0.29 0 1 4 0.16 0.60 0 -1 5 -0.16 0.34 0 -1 -5 0.09 0.17 0 1 5 0.77 0.65 0 -1 5 -0.07 0.62 0 -1 6 0.16 0.31 0 -1 6 0.59 0.62 0 1 6 -0.09 0.61 0 -1 7 0.27 0.25 0 1 7 -0.22 0.72 0 -1 7 0.20 0.68 0 -1 8 0.04 0.20 0 1 8 0.51 0.79 0 -1 8 -0.12 0.72 0 1 9 0.89 0.89 0 -1 9 -0.14 0.92 0 -1 -10 -0.02 0.26 0 -1 10 -0.15 0.85 0 -1 -10 -0.08 0.26 0 1 10 0.33 0.95 0 -1 -11 -0.07 0.31 0 1 -11 -0.10 0.30 0 1 11 0.37 0.96 0 -1 -11 0.10 0.28 0 -1 11 -0.17 0.94 0 1 -11 -0.19 0.29 0 -1 -12 0.48 0.23 0 1 -12 -0.25 0.32 0 -1 -12 0.19 0.30 0 1 12 -0.20 0.96 0 1 -12 0.05 0.30 0 -1 -12 -0.03 0.30 0 1 -13 0.06 0.32 0 -1 -13 -0.06 0.31 0 1 -13 0.12 0.32 0 -1 -13 0.18 0.33 0 1 14 0.24 0.97 0 1 -14 0.21 0.37 0 -1 -14 -0.03 0.37 0 -1 -14 -0.34 0.37 0 1 -14 -0.10 0.36 0 -1 15 0.65 0.41 0 1 -15 0.07 0.40 0 -1 -15 0.45 0.46 0 -1 -15 -0.03 0.38 0 1 -15 0.12 0.35 0 1 15 -0.15 0.39 0 -1 15 0.32 0.40 0 -1 15 -0.04 0.37 0 1 15 -0.04 0.43 0 1 -15 -0.08 0.41 0 -1 -15 -0.08 0.38 0 1 15 -0.23 0.45 0 -1 15 0.39 0.41 0 1 -15 0.20 0.39 0 -1 -15 0.64 0.41 0 1 15 0.77 1.03 0 1 -15 0.49 0.41 0 -1 -15 -0.04 0.37 0 -1 -15 0.87 0.40 0 1 -16 -0.16 0.42 0 -1 -16 0.26 0.46 0 -1 16 0.28 0.42 0 1 -16 -0.13 0.36 0 -1 -16 0.10 0.39 0 -1 16 -0.34 0.43 0 1 16 -0.50 0.44 0 1 16 0.21 0.44 0 -1 16 0.40 0.40 0 1 -16 0.69 0.48 0 -1 -16 -0.32 0.41 0 -1 16 -0.29 0.44 0 1 16 -0.08 0.49 0 1 -16 -0.24 0.38 0 -1 -16 -0.12 0.44 0 -1 -16 -0.20 0.42 0 1 -16 0.33 0.42 0 1 16 -0.80 1.21 0 -1 -16 0.58 0.44 0 1 -17 -0.50 0.45 0 -1 -17 1.12 0.53 0 -1 17 -0.16 0.45 0 1 -17 -0.10 0.40 0 -1 -17 -0.14 0.43 0 -1 17 0.04 0.50 0 1 17 0.30 0.45 0 -1 17 -0.13 0.50 0 1 17 -0.26 0.49 0 -1 -17 -0.08 0.44 0 1 -17 -0.13 0.46 0 -1 17 -0.04 0.47 0 1 17 -0.21 0.48 0 1 -17 0.11 0.40 0 -1 -17 -0.25 0.45 0 1 -17 -0.30 0.47 0 1 17 -0.55 1.13 0 -1 -17 -0.08 0.44 0 -1 -17 0.04 0.46 0 -1 -18 0.54 0.54 0 -1 18 0.08 0.44 0 1 -18 0.04 0.49 0 1 -18 -0.10 0.41 0 -1 -18 0.14 0.41 0 1 -18 0.35 0.41 0 -1 -18 0.57 0.48 0 1 18 0.22 0.47 0 -1 18 -0.04 0.45 0 1 18 0.22 0.51 0 -1 18 0.04 0.44 0 1 -18 -0.26 0.48 0 -1 -18 -0.04 0.47 0 1 18 0.26 0.45 0 -1 18 0.04 0.49 0 -1 -18 -0.17 0.48 0 1 -18 -0.17 0.46 0 -1 -18 0.08 0.49 0 1 -18 0.24 0.45 0 1 -19 -0.04 0.48 0 -1 -19 -0.22 0.51 0 1 19 0.32 0.54 0 1 -19 -0.42 0.41 0 1 19 -0.34 0.49 0 -1 19 0.09 0.48 0 -1 19 0.12 0.47 0 -1 -19 -0.04 0.46 0 1 -19 -0.04 0.45 0 -1 19 0.25 0.52 0 1 19 -0.17 0.49 0 -1 -19 0.04 0.45 0 1 -19 0.23 0.38 0 -1 -19 0.08 0.47 0 1 -19 0.04 0.46 0 -1 -19 -0.16 0.47 0 1 -19 0.42 0.47 0 1 -20 -0.14 0.44 0 -1 -20 0.12 0.49 0 -1 20 0.04 0.47 0 1 20 0.21 0.49 0 -1 20 0.29 0.49 0 1 20 0.08 0.45 0 -1 20 0.45 0.45 0 1 -20 -0.38 0.44 0 -1 -20 -0.15 0.45 0 1 20 -0.59 0.49 0 -1 20 -0.12 0.46 0 -1 -20 -0.34 0.44 0 1 -20 0.08 0.43 0 -1 -20 -0.04 0.44 0 1 -20 0.14 0.46 0 -1 -20 -0.23 0.50 0 -1 -21 -0.27 0.44 0 1 -21 -0.22 0.44 0 -1 21 0.22 0.48 0 1 21 -0.14 0.45 0 -1 21 -0.50 0.42 0 -1 -21 0.31 0.38 0 1 -21 -0.23 0.38 0 1 21 -0.21 0.42 0 -1 21 0.28 0.42 0 -1 21 -0.06 0.40 0 1 21 0.25 0.47 0 -1 -21 0.17 0.39 0 1 -21 0.07 0.37 0 -1 -21 0.62 0.47 0 1 -21 -0.12 0.39 0 1 -22 0.29 0.39 0 -1 -22 0.28 0.39 0 1 22 0.03 0.37 0 -1 22 0.21 0.40 0 -1 22 -0.27 0.36 0 -1 -22 -0.06 0.40 0 1 -22 -0.26 0.34 0 -1 22 -0.17 0.36 0 1 22 -0.06 0.40 0 1 -22 -0.22 0.26 0 1 -22 0.22 0.34 0 -1 -22 -0.03 0.34 0 1 22 -0.15 0.41 0 -1 22 0.15 0.38 0 1 -22 -0.17 0.35 0 -1 -22 -0.31 0.35 0 1 -23 -0.41 0.29 0 -1 -23 -0.15 0.27 0 1 -23 -0.08 0.27 0 -1 -23 -0.23 0.29 0 1 23 0.09 0.32 0 -1 23 0.48 0.34 0 1 23 -0.04 0.33 0 -1 23 0.70 0.37 0 -1 -23 0.02 0.30 0 1 -23 -0.02 0.25 0 -1 -23 0.13 0.32 0 1 -23 0.10 0.31 0 -1 24 -0.09 0.23 0 1 24 -0.31 0.24 0 1 -24 0.25 0.21 0 -1 -24 0.01 0.22 0 -1 -24 0.11 0.18 0 -2 0 3814.25 108.65 0 -2 -1 2.99 0.67 0 2 2 642.73 18.51 0 -2 -2 609.47 18.43 0 2 3 3203.63 88.88 0 -2 -3 3158.30 88.73 0 -2 3 2972.65 88.83 0 2 4 1120.26 32.35 0 -2 4 1068.31 32.25 0 -2 -4 1135.36 32.10 0 2 5 728.03 21.74 0 -2 5 701.61 21.49 0 -2 -5 750.48 21.30 0 -2 6 9.18 0.90 0 -2 -6 9.20 0.70 0 2 7 223.25 7.49 0 -2 7 214.76 6.70 0 2 8 722.93 21.99 0 -2 8 701.73 20.88 0 2 9 1187.72 33.35 0 -2 9 1063.44 31.64 0 -2 -10 128.31 3.99 0 2 -10 129.62 4.00 0 2 10 139.20 6.02 0 2 -10 127.35 3.99 0 -2 -10 129.75 3.99 0 -2 -10 134.71 3.98 0 -2 -11 182.28 5.49 0 2 -11 179.91 5.48 0 -2 -11 179.18 5.48 0 2 11 177.64 7.62 0 2 -11 180.91 5.49 0 -2 -11 184.31 5.45 0 -2 -12 24.90 1.06 0 2 -12 23.91 1.05 0 -2 -12 22.88 1.04 0 2 -12 24.71 1.06 0 -2 -12 23.56 0.99 0 -2 -13 367.16 11.04 0 2 -13 379.79 11.06 0 2 -13 383.24 11.07 0 2 13 367.51 13.84 0 -2 -13 368.70 11.04 0 -2 -13 376.07 10.95 0 -2 -14 4.32 0.57 0 2 14 4.77 0.57 0 -2 14 4.55 0.52 0 -2 -14 3.96 0.56 0 -2 -14 4.38 0.44 0 -2 14 4.23 0.53 0 2 14 3.75 0.54 0 -2 -14 4.42 0.52 0 2 -14 4.88 0.53 0 2 14 4.48 1.49 0 -2 -14 4.40 0.51 0 2 -14 4.82 0.54 0 -2 -14 5.65 0.61 0 -2 -15 386.78 11.46 0 -2 15 367.77 11.36 0 -2 -15 368.85 11.36 0 -2 -15 375.54 11.48 0 2 -15 390.96 11.40 0 -2 -15 377.05 11.21 0 2 15 380.31 11.40 0 -2 15 387.34 11.46 0 -2 15 391.04 11.39 0 2 15 400.99 11.48 0 2 -15 392.63 11.41 0 -2 -15 383.03 11.39 0 2 15 361.57 14.43 0 2 -15 390.38 11.40 0 -2 -15 386.72 11.39 0 -2 -15 392.19 11.46 0 -2 15 386.57 11.43 0 2 15 374.71 11.41 0 2 16 381.42 11.17 0 -2 16 374.20 11.16 0 -2 -16 368.72 11.17 0 2 16 373.99 11.13 0 -2 16 381.28 11.20 0 2 16 381.95 11.21 0 -2 16 369.47 11.11 0 2 -16 375.33 11.14 0 2 16 347.61 14.07 0 -2 -16 374.63 11.13 0 2 -16 379.37 11.02 0 -2 -16 353.42 11.07 0 -2 -16 372.91 11.18 0 2 16 396.49 11.29 0 -2 16 349.45 11.08 0 2 -16 365.66 11.13 0 -2 -16 372.50 11.13 0 2 -16 383.03 11.13 0 -2 -16 378.63 11.22 0 -2 17 68.87 2.52 0 2 17 67.73 2.52 0 -2 -17 65.77 2.51 0 -2 17 65.85 2.54 0 2 17 64.36 2.47 0 2 17 70.43 2.57 0 -2 17 67.94 2.48 0 -2 -17 72.21 2.52 0 2 -17 69.42 2.50 0 2 -17 67.35 2.37 0 -2 -17 69.63 2.54 0 -2 17 62.08 2.43 0 2 17 68.45 2.60 0 2 -17 70.58 2.51 0 -2 -17 72.19 2.52 0 2 -17 69.50 2.49 0 -2 -17 65.27 2.54 0 2 18 239.26 7.36 0 -2 -18 236.19 7.38 0 -2 18 237.34 7.37 0 2 18 237.40 7.33 0 -2 18 242.98 7.41 0 2 18 245.71 7.41 0 -2 18 236.25 7.31 0 -2 -18 245.64 7.35 0 2 -18 243.49 7.34 0 2 -18 232.42 7.18 0 -2 -18 240.54 7.37 0 2 18 234.09 7.43 0 -2 18 218.28 7.25 0 -2 -18 246.48 7.44 0 2 -18 237.48 7.30 0 2 -18 249.23 7.36 0 -2 -18 242.52 7.34 0 -2 -19 45.49 1.92 0 2 -19 45.75 1.83 0 2 19 48.79 1.98 0 2 -19 45.61 1.73 0 -2 -19 47.59 1.89 0 2 19 48.11 1.94 0 -2 19 46.87 1.85 0 -2 -19 49.48 1.89 0 2 -19 47.14 1.87 0 -2 19 44.44 1.90 0 2 19 49.64 1.92 0 -2 19 48.55 1.92 0 -2 -19 47.86 1.93 0 2 -19 47.38 1.86 0 -2 -19 49.76 1.89 0 2 19 46.46 1.86 0 2 20 187.01 5.90 0 -2 -20 192.17 5.93 0 2 -20 185.78 5.90 0 2 20 199.56 6.04 0 -2 20 182.19 5.86 0 2 20 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335.91 9.90 -1 -8 4 338.56 9.80 1 -8 -4 325.90 9.71 -1 -8 -4 333.58 9.91 1 -8 4 331.45 9.83 -1 -8 4 337.20 9.86 1 -8 -4 329.26 9.94 -1 -8 4 314.45 9.75 1 -8 4 340.35 9.78 -1 -8 4 327.64 9.78 1 -8 4 330.79 9.77 -1 -8 -4 326.29 9.84 -1 -8 -4 334.83 9.93 1 -8 -4 328.52 9.80 -1 -8 4 334.61 9.88 -1 -8 -4 334.36 9.89 1 -8 -4 329.84 9.90 1 -8 4 330.70 9.90 1 -8 -4 343.64 9.94 1 -8 -4 307.43 9.72 -1 -8 -4 306.84 9.67 -1 -8 -5 56.88 2.17 -1 -8 5 59.04 2.12 1 -8 -5 58.30 2.13 1 -8 5 58.02 2.15 -1 -8 5 60.56 2.25 1 -8 5 57.28 2.21 -1 -8 5 60.01 2.27 1 -8 5 56.91 2.25 1 -8 5 56.85 2.21 1 -8 5 59.63 2.10 -1 -8 -5 58.67 2.13 1 -8 5 57.20 2.22 1 -8 -5 55.96 2.15 -1 -8 5 61.83 2.25 -1 -8 5 60.84 2.13 -1 -8 -5 57.74 2.12 1 -8 5 59.39 2.24 1 -8 -5 57.72 2.16 1 -8 -5 56.86 2.02 -1 -8 -5 55.94 2.10 -1 -8 5 56.44 2.20 1 -8 -5 54.41 2.19 -1 -8 5 56.01 2.03 1 -8 5 54.47 1.99 -1 -8 5 58.49 2.17 1 -8 -5 58.00 2.27 -1 -8 -5 60.11 2.24 1 -8 5 57.22 2.13 -1 -8 5 48.13 2.00 1 -8 5 54.17 2.11 -1 -8 5 52.86 2.07 1 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4.63 1 -8 -6 141.54 4.67 1 -8 -6 150.53 4.81 -1 -8 -6 142.85 4.58 1 -8 -6 139.56 4.60 1 -8 -7 86.73 2.90 -1 -8 7 88.89 2.94 -1 -8 -7 81.81 2.92 1 -8 7 85.83 2.92 1 -8 7 89.66 2.89 1 -8 7 86.48 3.02 -1 -8 7 83.59 3.01 -1 -8 7 85.50 3.04 1 -8 7 84.48 3.03 1 -8 7 85.59 3.00 -1 -8 -7 85.43 2.90 -1 -8 7 85.64 2.84 1 -8 7 88.01 2.82 1 -8 -7 76.50 2.80 -1 -8 7 86.73 2.97 1 -8 7 84.07 2.94 -1 -8 7 82.19 2.87 1 -8 -7 78.50 2.81 -1 -8 7 86.22 2.96 1 -8 7 88.94 2.96 -1 -8 -7 85.98 2.89 1 -8 7 78.70 2.85 -1 -8 -7 85.18 2.96 -1 -8 7 84.29 2.76 1 -8 7 83.30 2.84 -1 -8 7 85.89 2.88 -1 -8 -7 86.62 2.96 1 -8 -7 82.52 2.99 -1 -8 7 79.25 2.86 1 -8 7 88.43 2.84 -1 -8 7 83.78 2.89 -1 -8 7 84.44 2.86 1 -8 7 84.16 2.91 1 -8 -7 85.88 2.93 -1 -8 -7 86.11 2.99 1 -8 7 91.87 2.91 -1 -8 -7 87.10 2.99 1 -8 7 82.54 2.87 -1 -8 7 86.14 2.88 1 -8 -7 84.41 2.89 -1 -8 -7 88.42 2.89 1 -8 -7 84.97 3.04 1 -8 -7 84.16 2.88 -1 -8 -7 81.78 2.83 -1 -8 -8 36.33 1.57 -1 -8 8 39.73 1.59 1 -8 8 41.58 1.61 1 -8 -8 40.38 1.54 1 -8 8 37.69 1.66 1 -8 8 41.40 1.58 -1 -8 8 39.65 1.66 -1 -8 8 37.73 1.69 1 -8 8 38.48 1.66 1 -8 8 39.64 1.71 -1 -8 -8 38.89 1.56 1 -8 8 40.68 1.49 -1 -8 8 42.11 1.54 1 -8 8 40.34 1.60 -1 -8 8 40.61 1.62 1 -8 8 34.49 1.54 -1 -8 8 40.30 1.62 -1 -8 -8 38.27 1.53 1 -8 8 40.94 1.60 -1 -8 8 36.65 1.56 1 -8 -8 38.64 1.64 -1 -8 -8 36.53 1.59 -1 -8 -8 37.54 1.57 1 -8 -8 40.61 1.66 -1 -8 8 39.24 1.54 -1 -8 8 41.39 1.55 1 -8 8 37.91 1.59 1 -8 8 40.42 1.50 -1 -8 8 38.43 1.58 -1 -8 8 38.89 1.57 -1 -8 -8 40.39 1.65 -1 -8 -8 37.39 1.63 1 -8 -8 37.84 1.58 1 -8 8 39.79 1.57 -1 -8 8 38.09 1.55 -1 -8 -8 34.89 1.48 -1 -8 8 34.71 1.48 1 -8 8 34.04 1.48 1 -8 -8 34.91 1.49 1 -8 -8 42.45 1.73 -1 -8 -8 34.64 1.49 1 -8 -8 36.40 1.54 1 -8 9 1.53 0.49 -1 -8 9 0.62 0.48 1 -8 9 1.13 0.49 -1 -8 9 1.36 0.52 1 -8 9 1.50 0.52 1 -8 9 1.16 0.54 -1 -8 9 0.89 0.50 -1 -8 9 1.16 0.42 -1 -8 -9 0.80 0.38 1 -8 9 1.09 0.37 1 -8 9 0.60 0.44 -1 -8 9 1.17 0.48 -1 -8 9 0.71 0.47 -1 -8 -9 1.11 0.38 1 -8 9 0.85 0.43 1 -8 9 0.56 0.42 -1 -8 9 0.59 0.42 1 -8 -9 1.43 0.37 -1 -8 -9 1.79 0.50 1 -8 -9 0.64 0.53 -1 -8 -9 0.69 0.39 -1 -8 9 1.52 0.40 -1 -8 -9 0.91 0.43 1 -8 -9 0.85 0.46 -1 -8 9 0.59 0.47 -1 -8 9 0.60 0.42 -1 -8 -9 0.87 0.46 -1 -8 9 1.19 0.43 1 -8 9 0.91 0.38 1 -8 -9 1.21 0.52 1 -8 -9 0.70 0.42 -1 -8 -9 1.10 0.48 1 -8 -9 1.47 0.44 -1 -8 -9 0.96 0.39 -1 -8 10 43.64 1.59 1 -8 10 40.92 1.52 -1 -8 -10 40.41 1.57 1 -8 10 42.64 1.77 1 -8 10 44.73 1.71 1 -8 10 43.13 1.79 1 -8 10 43.39 1.61 -1 -8 10 45.10 1.64 1 -8 10 42.67 1.68 -1 -8 10 39.99 1.66 -1 -8 -10 40.76 1.57 1 -8 10 40.45 1.58 -1 -8 10 41.16 1.61 -1 -8 -10 42.89 1.66 1 -8 -10 43.94 1.71 1 -8 -10 39.32 1.61 1 -8 10 43.14 1.54 -1 -8 10 43.07 1.67 -1 -8 10 43.34 1.59 -1 -8 10 44.07 1.67 -1 -8 -10 44.85 1.68 1 -8 -10 41.57 1.64 -1 -8 -10 39.41 1.69 -1 -8 10 44.36 1.67 1 -8 -10 41.61 1.55 -1 -8 -10 40.99 1.61 1 -8 10 42.69 1.64 1 -8 -10 43.92 1.80 1 -8 -10 38.77 1.60 -1 -8 -10 42.02 1.61 -1 -8 11 35.07 1.39 -1 -8 11 37.88 1.41 1 -8 -11 39.73 1.53 -1 -8 -11 37.27 1.46 -1 -8 11 39.08 1.62 1 -8 11 41.32 1.52 1 -8 -11 36.97 1.46 -1 -8 -11 37.12 1.45 -1 -8 11 37.39 1.50 -1 -8 11 35.48 1.41 1 -8 11 36.04 1.36 -1 -8 11 39.85 1.52 1 -8 -11 36.50 1.46 -1 -8 -11 38.44 1.55 -1 -8 11 36.96 1.49 -1 -8 -11 39.95 1.45 1 -8 11 38.42 1.48 1 -8 11 36.90 1.59 -1 -8 11 39.40 1.54 -1 -8 -11 38.43 1.40 1 -8 11 36.93 1.52 1 -8 -11 37.66 1.62 -1 -8 -11 35.81 1.39 -1 -8 11 36.90 1.41 -1 -8 12 123.76 3.96 1 -8 12 125.00 3.96 1 -8 12 123.09 3.88 -1 -8 -12 121.75 3.82 -1 -8 12 126.48 3.91 1 -8 12 130.54 4.05 -1 -8 12 130.79 4.05 -1 -8 12 129.16 3.95 1 -8 12 125.72 3.96 -1 -8 12 118.83 3.82 1 -8 12 134.66 3.97 -1 -8 -12 128.40 3.97 1 -8 -12 125.47 3.89 1 -8 12 116.99 4.00 -1 -8 -12 120.76 3.87 1 -8 -12 117.72 4.01 1 -8 -12 119.64 3.89 -1 -8 13 26.32 1.15 1 -8 13 25.89 1.14 -1 -8 -13 26.42 1.12 1 -8 -13 27.37 1.06 1 -8 -13 25.25 1.18 -1 -8 13 27.47 1.20 1 -8 13 27.65 1.21 -1 -8 13 28.00 1.14 1 -8 13 25.59 1.13 -1 -8 -13 27.06 1.08 1 -8 13 27.56 1.07 -1 -8 -13 26.55 0.99 -1 -8 13 27.88 1.10 1 -8 13 24.09 1.16 -1 -8 13 25.18 1.18 1 -8 14 146.33 4.39 -1 -8 14 145.15 4.39 1 -8 -14 136.36 4.26 -1 -8 -14 144.87 4.35 1 -8 -14 146.93 4.43 -1 -8 14 150.33 4.43 1 -8 14 146.66 4.43 -1 -8 14 147.29 4.38 1 -8 14 143.59 4.38 1 -8 -14 132.26 4.31 -1 -8 14 139.49 4.42 1 -8 14 137.30 4.41 -1 -8 14 149.54 4.32 1 -8 14 138.97 4.27 1 -8 15 38.25 1.37 -1 -8 15 38.98 1.38 -1 -8 15 39.38 1.36 1 -8 15 38.82 1.37 -1 -8 -15 35.65 1.28 -1 -8 15 38.79 1.34 -1 -8 15 37.05 1.34 1 -8 15 38.29 1.35 1 -8 -15 40.67 1.39 -1 -8 15 39.47 1.27 1 -8 15 36.59 1.23 1 -8 16 48.80 1.58 -1 -8 16 50.43 1.59 1 -8 16 51.28 1.59 1 -8 -17 4.69 0.27 -1 -8 17 5.74 0.29 1 -8 17 5.78 0.29 1 -8 17 5.90 0.29 -1 -9 0 0.43 0.50 1 -9 0 0.12 0.52 1 -9 0 0.16 0.34 -1 -9 0 0.21 0.37 -1 -9 0 0.24 0.39 -1 -9 0 -0.10 0.44 1 -9 0 0.64 0.42 1 -9 0 0.16 0.42 1 -9 0 -0.04 0.54 -1 -9 0 0.35 0.52 -1 -9 0 -0.42 0.55 1 -9 0 0.43 0.51 1 -9 0 0.72 0.48 -1 -9 0 0.38 0.44 1 -9 0 -0.04 0.47 -1 -9 0 0.37 0.47 1 -9 0 -0.03 0.45 -1 -9 0 0.23 0.46 1 -9 0 -0.04 0.49 -1 -9 0 0.23 0.48 1 -9 0 0.12 0.41 -1 -9 0 0.15 0.38 1 -9 0 0.42 0.39 -1 -9 1 24.32 1.24 1 -9 -1 21.77 1.22 -1 -9 -1 24.00 1.22 -1 -9 1 24.24 1.13 1 -9 1 21.17 1.09 -1 -9 -1 25.36 1.18 1 -9 -1 24.08 1.17 -1 -9 -1 24.31 1.24 -1 -9 1 25.17 1.25 1 -9 1 24.94 1.24 1 -9 -1 25.94 1.27 1 -9 1 23.52 1.15 -1 -9 1 21.65 1.05 -1 -9 1 25.66 1.18 1 -9 -1 23.16 1.15 -1 -9 -1 24.67 1.18 -1 -9 1 23.86 1.12 1 -9 -1 26.01 1.14 -1 -9 -1 23.52 1.13 1 -9 1 24.55 1.12 1 -9 -1 23.71 1.26 -1 -9 -1 26.42 1.25 1 -9 1 24.67 1.25 1 -9 -1 21.81 1.15 -1 -9 1 22.80 1.20 -1 -9 -1 25.02 1.18 -1 -9 -1 23.96 1.10 1 -9 -1 23.88 1.25 -1 -9 1 25.74 1.25 1 -9 1 25.54 1.10 -1 -9 1 24.43 1.12 -1 -9 -1 26.29 1.25 1 -9 -1 26.50 1.09 -1 -9 1 25.65 1.16 1 -9 1 25.87 1.19 -1 -9 -1 25.47 1.16 1 -9 -1 23.68 1.15 -1 -9 -1 25.22 1.17 1 -9 1 26.94 1.14 1 -9 1 25.10 1.17 1 -9 -1 24.62 1.14 1 -9 2 67.29 2.42 -1 -9 -2 65.51 2.36 1 -9 -2 61.25 2.35 -1 -9 -2 63.76 2.30 -1 -9 2 61.76 2.23 1 -9 2 61.74 2.21 1 -9 -2 63.89 2.31 1 -9 -2 68.10 2.42 1 -9 2 64.56 2.34 -1 -9 2 67.25 2.37 -1 -9 2 64.98 2.29 1 -9 2 65.00 2.28 -1 -9 2 59.93 2.20 1 -9 -2 62.71 2.32 -1 -9 2 63.34 2.25 1 -9 2 67.90 2.27 -1 -9 -2 66.01 2.29 1 -9 -2 65.39 2.26 1 -9 -2 62.79 2.38 -1 -9 -2 64.32 2.37 -1 -9 2 66.86 2.37 1 -9 2 63.11 2.37 -1 -9 2 64.98 2.39 1 -9 2 62.87 2.38 1 -9 -2 64.46 2.29 -1 -9 -2 64.10 2.24 1 -9 -2 63.21 2.18 -1 -9 -2 68.08 2.36 -1 -9 2 66.24 2.27 1 -9 -2 63.89 2.36 1 -9 2 65.98 2.41 1 -9 -2 66.36 2.32 -1 -9 2 60.86 2.27 -1 -9 2 62.27 2.27 -1 -9 -2 61.64 2.25 -1 -9 -2 65.12 2.32 1 -9 2 60.87 2.29 1 -9 -2 63.89 2.29 1 -9 2 67.30 2.27 -1 -9 -3 65.77 2.41 1 -9 3 70.16 2.51 1 -9 -3 65.77 2.44 -1 -9 3 67.11 2.49 1 -9 -3 70.36 2.45 -1 -9 -3 67.05 2.42 1 -9 3 68.93 2.31 -1 -9 3 65.63 2.33 -1 -9 3 67.69 2.44 1 -9 3 66.55 2.41 -1 -9 -3 70.35 2.49 -1 -9 3 62.09 2.31 -1 -9 3 69.45 2.38 1 -9 3 63.72 2.36 1 -9 -3 67.43 2.44 1 -9 3 68.03 2.37 1 -9 -3 69.81 2.37 -1 -9 -3 70.51 2.41 -1 -9 3 71.09 2.38 1 -9 3 72.03 2.38 1 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1 -9 6 3.03 0.50 -1 -9 6 2.82 0.58 -1 -9 6 1.69 0.48 1 -9 6 3.58 0.61 1 -9 6 2.42 0.41 -1 -9 6 2.79 0.46 -1 -9 6 2.95 0.55 1 -9 6 2.63 0.54 -1 -9 -6 1.80 0.38 -1 -9 6 2.61 0.54 1 -9 6 3.21 0.57 -1 -9 6 2.54 0.38 1 -9 -6 2.84 0.45 1 -9 -6 2.77 0.57 -1 -9 -6 2.76 0.47 1 -9 6 1.89 0.42 -1 -9 6 2.05 0.46 1 -9 -6 2.62 0.55 -1 -9 -6 2.51 0.52 1 -9 6 2.13 0.47 -1 -9 6 2.01 0.44 -1 -9 -6 2.96 0.53 -1 -9 6 2.83 0.47 1 -9 6 2.61 0.43 -1 -9 6 2.47 0.43 1 -9 6 2.15 0.42 1 -9 -6 2.36 0.45 -1 -9 -6 1.99 0.43 1 -9 6 2.94 0.46 -1 -9 -6 3.10 0.49 1 -9 -6 2.46 0.43 1 -9 -6 1.89 0.36 -1 -9 7 100.65 3.17 1 -9 7 95.95 3.12 1 -9 -7 98.78 3.27 1 -9 7 96.09 3.27 -1 -9 7 98.16 3.31 1 -9 7 98.20 3.30 1 -9 7 104.73 3.33 -1 -9 7 102.32 3.27 1 -9 7 100.18 3.25 -1 -9 -7 99.73 3.14 -1 -9 7 102.04 3.27 1 -9 7 104.30 3.26 -1 -9 -7 101.92 3.26 -1 -9 7 90.65 3.04 -1 -9 -7 100.33 3.24 1 -9 -7 101.86 3.29 1 -9 7 95.70 3.13 -1 -9 7 97.42 3.18 1 -9 7 98.90 3.14 1 -9 7 103.17 3.24 -1 -9 7 98.23 3.19 -1 -9 7 101.77 3.18 -1 -9 -7 102.60 3.27 1 -9 -7 99.44 3.20 -1 -9 -7 99.59 3.25 1 -9 -7 102.22 3.18 -1 -9 -7 99.54 3.23 1 -9 7 102.83 3.24 1 -9 -7 95.35 3.17 1 -9 -7 91.23 3.14 1 -9 8 39.80 1.46 -1 -9 8 45.44 1.53 1 -9 8 42.83 1.63 1 -9 -8 43.73 1.63 1 -9 8 43.36 1.65 1 -9 8 40.86 1.64 -1 -9 8 41.93 1.66 1 -9 8 42.43 1.57 -1 -9 8 44.51 1.60 -1 -9 -8 40.97 1.46 1 -9 8 40.18 1.55 -1 -9 8 43.07 1.59 -1 -9 -8 41.02 1.57 -1 -9 8 39.01 1.49 -1 -9 -8 39.31 1.53 1 -9 -8 39.25 1.57 1 -9 8 40.80 1.47 -1 -9 -8 40.14 1.59 -1 -9 8 41.43 1.51 1 -9 8 42.34 1.58 -1 -9 8 40.87 1.54 1 -9 -8 41.19 1.53 -1 -9 -8 41.64 1.59 1 -9 -8 36.98 1.45 1 -9 8 43.04 1.58 1 -9 -8 42.23 1.50 -1 -9 -8 43.34 1.56 -1 -9 8 42.56 1.59 1 -9 -8 38.32 1.49 1 -9 9 7.92 0.56 -1 -9 -9 7.81 0.46 1 -9 -9 8.69 0.65 -1 -9 -9 8.37 0.61 1 -9 9 9.10 0.66 -1 -9 9 8.23 0.68 1 -9 9 10.09 0.71 1 -9 -9 7.60 0.52 -1 -9 -9 7.73 0.52 1 -9 -9 8.62 0.65 -1 -9 9 8.71 0.56 -1 -9 9 9.17 0.60 -1 -9 -9 7.33 0.60 1 -9 9 9.70 0.63 1 -9 9 6.54 0.48 -1 -9 -9 8.30 0.59 1 -9 -9 7.91 0.55 -1 -9 9 7.87 0.61 1 -9 9 8.15 0.59 1 -9 -9 7.76 0.50 -1 -9 -9 8.15 0.53 -1 -9 9 8.18 0.63 1 -9 9 7.42 0.61 1 -9 -9 7.66 0.62 1 -9 9 8.41 0.57 -1 -9 9 8.65 0.60 -1 -9 9 8.45 0.60 1 -9 9 8.22 0.50 -1 -9 9 8.51 0.55 1 -9 -10 0.32 0.27 -1 -9 -10 1.08 0.29 -1 -9 10 1.07 0.32 1 -9 10 0.67 0.31 1 -9 -10 0.61 0.23 -1 -9 -10 0.91 0.29 -1 -9 -10 0.88 0.34 1 -9 -10 0.78 0.38 1 -9 -10 0.58 0.39 1 -9 10 0.96 0.35 -1 -9 10 0.41 0.35 1 -9 10 0.87 0.43 -1 -9 10 0.90 0.44 1 -9 10 0.63 0.26 1 -9 -10 0.86 0.41 -1 -9 10 0.95 0.32 -1 -9 -10 1.38 0.40 1 -9 10 0.78 0.35 -1 -9 10 0.28 0.36 -1 -9 10 0.43 0.30 1 -9 10 0.91 0.32 -1 -9 -10 0.51 0.35 1 -9 -10 0.91 0.31 1 -9 -11 0.20 0.24 -1 -9 11 0.19 0.23 1 -9 -11 -0.39 0.37 -1 -9 11 0.54 0.26 -1 -9 11 0.19 0.33 1 -9 11 -0.05 0.30 1 -9 11 0.13 0.38 -1 -9 -11 -0.04 0.30 1 -9 -11 0.11 0.24 1 -9 11 -0.44 0.35 1 -9 -11 -0.02 0.36 -1 -9 11 -0.07 0.32 -1 -9 11 -0.08 0.23 1 -9 -11 0.85 0.33 -1 -9 -11 -0.01 0.21 1 -9 -12 30.19 1.16 -1 -9 -12 33.65 1.16 1 -9 -12 30.68 1.07 1 -9 -12 29.83 1.13 1 -9 12 32.93 1.22 1 -9 -12 33.91 1.20 -1 -9 12 33.21 1.22 -1 -9 12 35.20 1.17 1 -9 12 32.35 1.13 1 -9 -13 9.62 0.49 -1 -9 -13 9.10 0.44 -1 -9 13 9.67 0.46 1 -9 13 9.26 0.43 1 -9 14 77.91 2.35 1 -9 -14 80.81 2.32 1 -10 0 -0.47 0.44 -1 -10 0 -0.05 0.41 1 -10 0 -0.44 0.39 -1 -10 0 0.36 0.34 1 -10 0 0.21 0.32 -1 -10 0 0.22 0.32 1 -10 0 0.43 0.36 -1 -10 0 -0.09 0.38 1 -10 0 -0.09 0.35 1 -10 0 -0.40 0.42 -1 -10 0 0.03 0.42 1 -10 0 0.12 0.33 -1 -10 0 0.04 0.34 1 -10 0 0.20 0.38 -1 -10 0 0.22 0.35 1 -10 0 -0.46 0.46 -1 -10 0 0.22 0.42 1 -10 -1 32.85 1.35 -1 -10 -1 33.99 1.35 -1 -10 1 32.41 1.36 -1 -10 -1 34.82 1.30 -1 -10 1 31.29 1.25 1 -10 -1 33.17 1.28 1 -10 1 30.40 1.22 1 -10 1 33.50 1.34 1 -10 -1 33.40 1.35 -1 -10 1 32.45 1.35 -1 -10 -1 32.26 1.34 -1 -10 -1 35.00 1.25 -1 -10 1 32.91 1.34 1 -10 -1 35.44 1.39 -1 -10 -1 33.15 1.35 1 -10 1 33.83 1.35 -1 -10 -1 34.69 1.32 1 -10 1 34.46 1.29 -1 -10 1 35.04 1.30 1 -10 -1 33.91 1.30 1 -10 1 34.14 1.27 1 -10 -1 34.33 1.26 -1 -10 1 34.54 1.28 -1 -10 -1 35.27 1.28 1 -10 -1 33.40 1.28 1 -10 1 33.10 1.28 1 -10 -1 31.79 1.35 -1 -10 -1 34.52 1.35 1 -10 1 32.27 1.31 -1 -10 -1 32.93 1.27 1 -10 -1 32.00 1.30 -1 -10 1 31.81 1.27 -1 -10 -1 32.95 1.31 1 -10 -2 24.63 1.15 -1 -10 -2 26.24 1.14 1 -10 -2 27.52 1.12 1 -10 2 24.84 1.03 -1 -10 -2 28.60 1.14 -1 -10 2 28.05 1.08 1 -10 2 25.48 1.17 -1 -10 -2 29.84 1.08 -1 -10 -2 26.70 1.14 1 -10 -2 28.08 1.18 1 -10 2 26.80 1.14 -1 -10 2 28.05 1.17 1 -10 -2 27.84 1.21 -1 -10 2 29.51 1.14 1 -10 -2 28.53 1.15 1 -10 2 29.47 1.12 -1 -10 -2 29.09 1.15 -1 -10 2 28.83 1.12 1 -10 -2 28.72 1.09 1 -10 2 28.72 1.10 -1 -10 -2 28.67 1.12 -1 -10 2 26.51 1.09 1 -10 2 27.45 1.08 1 -10 2 28.84 1.12 1 -10 -2 29.43 1.14 1 -10 2 25.81 1.16 -1 -10 -2 26.98 1.16 1 -10 -2 28.74 1.19 -1 -10 2 26.99 1.16 -1 -10 -2 28.42 1.16 -1 -10 -2 27.20 1.10 -1 -10 2 26.13 1.11 1 -10 -2 26.62 1.13 -1 -10 3 2.23 0.38 1 -10 3 2.21 0.36 1 -10 3 1.98 0.38 1 -10 -3 2.30 0.41 1 -10 3 2.32 0.48 1 -10 3 1.90 0.49 1 -10 -3 2.39 0.42 -1 -10 3 2.04 0.48 1 -10 3 2.65 0.50 -1 -10 3 2.22 0.48 -1 -10 -3 2.14 0.32 1 -10 -3 2.57 0.41 -1 -10 3 2.00 0.36 -1 -10 -3 2.93 0.42 1 -10 3 1.76 0.29 1 -10 -3 1.86 0.42 -1 -10 -3 2.09 0.42 1 -10 3 2.32 0.42 -1 -10 3 2.18 0.42 -1 -10 -3 1.88 0.47 1 -10 3 1.70 0.36 1 -10 -3 2.28 0.44 -1 -10 3 3.10 0.43 1 -10 3 2.15 0.37 1 -10 -3 2.04 0.38 1 -10 3 2.28 0.41 1 -10 3 2.12 0.38 -1 -10 3 2.49 0.38 1 -10 -3 2.01 0.35 -1 -10 -3 2.63 0.39 1 -10 -3 2.25 0.41 -1 -10 3 2.69 0.40 -1 -10 4 36.38 1.40 -1 -10 -4 33.67 1.25 1 -10 4 34.59 1.39 -1 -10 4 35.07 1.24 -1 -10 -4 38.32 1.39 1 -10 -4 35.75 1.36 -1 -10 4 36.87 1.35 1 -10 -4 34.58 1.34 -1 -10 -4 37.59 1.36 1 -10 -4 37.97 1.36 1 -10 4 37.49 1.33 -1 -10 4 35.59 1.35 -1 -10 -4 34.72 1.39 1 -10 4 36.42 1.33 -1 -10 4 37.24 1.33 1 -10 4 35.76 1.32 1 -10 4 35.52 1.29 1 -10 -4 37.33 1.39 1 -10 -4 36.42 1.31 1 -10 4 37.22 1.33 -1 -10 -4 37.08 1.35 -1 -10 4 37.46 1.33 1 -10 -4 32.74 1.34 1 -10 4 33.70 1.35 -1 -10 4 36.73 1.41 1 -10 4 35.93 1.41 1 -10 4 35.19 1.28 -1 -10 4 35.41 1.31 -1 -10 5 1.15 0.41 1 -10 5 0.75 0.40 -1 -10 -5 0.77 0.31 -1 -10 -5 -0.09 0.37 1 -10 -5 0.91 0.39 -1 -10 5 0.79 0.25 1 -10 -5 0.08 0.32 1 -10 5 0.66 0.36 -1 -10 5 0.44 0.35 -1 -10 5 0.54 0.29 1 -10 5 0.50 0.30 1 -10 -5 0.76 0.34 -1 -10 5 0.98 0.42 1 -10 5 0.91 0.40 -1 -10 -5 0.99 0.24 -1 -10 5 0.59 0.33 1 -10 5 0.86 0.30 -1 -10 -5 0.48 0.37 1 -10 -5 0.36 0.38 1 -10 5 0.85 0.34 1 -10 -5 1.24 0.41 -1 -10 5 1.17 0.36 -1 -10 -5 1.18 0.38 1 -10 5 0.58 0.29 1 -10 -5 0.31 0.30 -1 -10 -5 0.74 0.32 1 -10 -5 0.61 0.29 -1 -10 5 0.34 0.31 1 -10 5 0.36 0.29 1 -10 -6 160.25 4.95 -1 -10 6 156.17 4.87 -1 -10 -6 160.72 4.92 1 -10 6 142.65 4.81 -1 -10 -6 171.45 4.94 1 -10 6 162.26 4.90 1 -10 6 159.44 4.84 -1 -10 6 169.31 4.89 1 -10 -6 168.24 4.97 1 -10 -6 170.41 4.88 -1 -10 -6 173.90 4.93 -1 -10 6 169.56 4.88 1 -10 6 158.12 4.83 -1 -10 6 161.47 4.95 1 -10 -6 176.12 4.96 1 -10 6 165.18 4.96 -1 -10 -6 171.60 4.93 1 -10 6 169.53 4.93 1 -10 -6 166.80 4.95 -1 -10 -6 158.41 4.79 -1 -10 6 167.84 4.95 1 -10 6 164.60 4.94 -1 -10 6 165.20 4.95 1 -10 6 167.99 4.95 1 -10 -7 74.12 2.45 1 -10 7 69.71 2.34 -1 -10 -7 80.85 2.45 1 -10 7 78.35 2.43 -1 -10 7 79.06 2.41 1 -10 -7 79.46 2.39 -1 -10 -7 77.87 2.43 -1 -10 7 76.08 2.39 1 -10 7 69.66 2.34 1 -10 7 77.41 2.45 -1 -10 -7 79.73 2.43 1 -10 7 77.21 2.45 -1 -10 -7 80.45 2.46 -1 -10 7 78.54 2.46 1 -10 7 80.14 2.46 -1 -10 7 80.17 2.46 1 -10 7 75.43 2.47 -1 -10 7 76.92 2.47 1 -10 -7 82.36 2.47 -1 -10 8 3.59 0.31 1 -10 8 2.71 0.24 -1 -10 -8 3.67 0.34 1 -10 -8 3.56 0.36 1 -10 8 2.60 0.33 -1 -10 -8 3.70 0.31 1 -10 8 3.63 0.35 1 -10 -8 3.87 0.28 -1 -10 -8 4.18 0.34 -1 -10 -8 3.50 0.36 -1 -10 8 3.11 0.37 1 -10 8 3.12 0.33 1 -10 8 3.04 0.32 -1 -10 8 2.93 0.35 1 -10 -9 19.09 0.70 -1 -10 -9 19.30 0.67 1 -10 -9 16.01 0.58 -1 -10 9 20.18 0.70 1 -10 9 18.29 0.69 1 -10 -9 20.45 0.71 -1 -10 -9 18.52 0.67 1 -10 -9 20.26 0.71 -1 -10 9 15.21 0.61 -1 -10 9 16.39 0.62 1 -10 -10 22.45 0.85 -1 -10 -10 24.37 0.82 1 -10 -10 27.42 0.88 1 -10 10 23.95 0.84 -1 -10 10 24.74 0.86 1 -10 -10 25.76 0.85 1 -10 -11 6.23 0.28 -1 -10 -11 6.11 0.28 -1 -10 11 5.92 0.28 -1 -11 0 -0.06 0.22 1 -11 0 0.47 0.21 1 -11 0 0.29 0.22 -1 -11 0 0.05 0.21 -1 -11 0 0.04 0.17 1 -11 0 0.04 0.20 1 -11 0 0.19 0.21 -1 -11 0 0.24 0.20 1 -11 0 0.05 0.18 -1 -11 0 0.34 0.19 -1 -11 0 0.36 0.19 1 -11 0 0.28 0.18 -1 -11 0 -0.02 0.21 1 -11 0 -0.12 0.21 -1 -11 -1 60.24 1.80 1 -11 1 54.62 1.76 1 -11 -1 56.60 1.79 -1 -11 1 61.30 1.79 1 -11 1 55.98 1.73 -1 -11 1 64.01 1.77 -1 -11 -1 66.56 1.79 1 -11 -1 56.52 1.75 -1 -11 -1 62.87 1.77 1 -11 1 52.90 1.72 -1 -11 -1 61.23 1.76 -1 -11 1 62.57 1.76 1 -11 -1 55.79 1.74 1 -11 -1 62.28 1.77 1 -11 -1 50.59 1.73 1 -11 1 57.40 1.76 -1 -11 -1 56.52 1.74 1 -11 -1 48.34 1.69 1 -11 1 54.27 1.78 -1 -11 1 50.28 1.76 1 -11 1 51.99 1.77 -1 -11 1 51.47 1.76 -1 -11 2 20.22 0.79 1 -11 -2 22.89 0.82 1 -11 2 20.28 0.76 -1 -11 -2 25.24 0.80 -1 -11 2 23.69 0.78 -1 -11 -2 24.05 0.79 1 -11 -2 21.46 0.77 1 -11 2 19.10 0.74 1 -11 -2 26.21 0.81 1 -11 -2 22.84 0.80 -1 -11 2 23.94 0.79 -1 -11 -2 24.28 0.80 1 -11 2 20.00 0.74 1 -11 2 23.52 0.80 -1 -11 -2 24.59 0.79 1 -11 -2 21.20 0.75 -1 -11 -3 54.11 1.86 1 -11 -3 64.15 1.86 -1 -11 3 61.85 1.84 -1 -11 -3 62.64 1.84 1 -11 -3 68.09 1.87 1 -11 -3 57.66 1.84 -1 -11 3 59.10 1.83 1 -11 3 59.34 1.88 1 -11 3 60.96 1.89 -1 -11 -3 63.48 1.85 1 -11 -3 56.13 1.82 -1 -11 -4 1.03 0.18 -1 -11 4 1.30 0.17 1 -11 -4 1.34 0.18 1 -11 -4 1.42 0.17 -1 -11 -4 1.63 0.19 1 -11 -4 1.29 0.17 -1 -11 -4 1.33 0.18 1 -11 -4 1.47 0.17 1 -11 4 1.53 0.21 -1 -11 4 1.45 0.21 -1 -11 -4 1.58 0.16 1 -11 4 1.40 0.20 -1 -11 4 1.71 0.21 -2 0 0 189.42 5.75 -2 0 1 -0.06 0.27 -2 0 -1 0.14 0.25 -2 0 1 0.52 0.19 2 0 1 0.39 0.17 -2 0 2 81.56 2.65 2 0 2 81.34 2.65 -2 0 3 0.76 0.54 2 0 3 0.52 0.52 2 0 4 741.56 21.90 -2 0 4 745.21 21.92 2 0 5 0.52 0.68 -2 0 5 0.23 0.69 2 0 6 297.43 9.52 -2 0 6 284.41 9.49 -2 0 7 -0.11 0.71 2 0 7 0.10 0.72 2 0 8 5.53 1.07 -2 0 8 3.76 1.02 2 0 9 1.91 0.98 -2 0 9 0.41 0.78 -2 0 10 654.36 20.26 2 0 10 667.27 20.27 -2 0 -10 634.88 18.22 -2 0 -10 623.56 18.21 -2 0 11 -0.52 0.88 2 0 11 1.20 1.00 -2 0 -11 0.07 0.28 -2 0 -11 0.27 0.29 -2 0 -12 420.55 12.27 -2 0 12 412.39 14.54 2 0 12 387.13 14.47 -2 0 -12 422.47 12.27 -2 0 13 -0.21 0.92 -2 0 -13 0.13 0.32 2 0 13 -1.04 0.94 2 0 -13 0.26 0.34 -2 0 -13 0.32 0.33 2 0 -13 0.32 0.33 -2 0 14 1.13 1.02 2 0 14 1.13 1.00 2 0 -14 1.06 0.40 -2 0 -14 0.78 0.38 2 0 -14 0.81 0.39 -2 0 -14 0.92 0.40 2 0 15 -0.31 0.40 -2 0 15 -0.16 0.40 2 0 15 0.08 0.37 -2 0 15 0.24 0.40 -2 0 -15 -0.16 0.39 2 0 -15 0.27 0.40 -2 0 15 -0.16 0.38 2 0 15 -0.04 0.40 -2 0 -15 0.27 0.43 2 0 -15 0.04 0.39 -2 0 15 -0.49 1.05 2 0 15 -0.73 1.01 -2 0 -15 0.40 0.41 -2 0 -15 0.31 0.42 2 0 -15 0.35 0.44 -2 0 -15 -0.20 0.41 2 0 -16 0.46 0.43 -2 0 -16 0.25 0.48 -2 0 -16 -0.04 0.44 2 0 -16 0.25 0.43 -2 0 -16 -0.19 0.43 2 0 16 -0.17 0.42 -2 0 16 -0.22 0.46 2 0 16 -0.08 0.40 -2 0 16 0.26 0.41 -2 0 -16 -0.04 0.44 2 0 -16 -0.04 0.41 -2 0 16 -0.26 0.45 2 0 16 0.04 0.41 -2 0 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7 59.24 2.29 -2 -7 7 65.50 2.28 2 -7 -7 58.42 2.37 -2 -7 -7 58.42 2.26 -2 -7 7 65.13 2.24 2 -7 7 65.37 2.19 -2 -7 7 61.08 2.25 -2 -7 7 64.88 2.23 -2 -7 -7 61.79 2.36 2 -7 -7 68.75 2.39 -2 -7 -7 61.74 2.37 2 -7 -7 61.07 2.27 2 -7 7 66.98 2.26 2 -7 -7 62.34 2.38 -2 -7 -7 65.50 2.42 -2 -7 -7 60.45 2.24 -2 -7 -7 57.52 2.21 -2 -7 7 56.88 3.94 -2 -7 -7 61.50 2.22 2 -7 7 52.18 3.96 2 -7 -8 825.44 24.36 2 -7 8 811.01 24.34 -2 -7 8 826.39 24.31 -2 -7 -8 869.73 24.35 2 -7 8 835.53 24.57 2 -7 8 834.98 24.49 -2 -7 8 850.72 24.48 2 -7 8 846.41 24.38 -2 -7 -8 815.28 24.47 2 -7 -8 833.32 24.35 -2 -7 8 811.83 24.50 -2 -7 8 853.18 24.35 2 -7 8 885.05 24.38 2 -7 8 852.84 24.54 2 7 8 870.30 27.83 -2 7 8 858.21 27.80 -2 -7 8 866.17 24.34 -2 -7 -8 823.64 24.46 2 -7 8 846.11 24.26 -2 -7 8 861.51 24.42 2 -7 8 843.07 24.42 -2 -7 8 818.90 24.44 2 -7 8 840.99 24.41 -2 -7 8 875.35 24.43 -2 -7 -8 831.91 24.45 -2 -7 -8 823.44 24.40 -2 -7 8 817.58 24.24 2 -7 -8 857.96 24.53 -2 -7 8 852.17 24.37 -2 -7 -8 833.26 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34.59 1.65 2 -7 -9 36.27 1.66 -2 -7 -9 34.43 1.51 -2 -7 -9 36.18 1.53 -2 -7 -9 39.02 1.53 -2 -7 10 86.27 2.99 2 -7 10 84.13 2.88 -2 -7 -10 84.27 2.89 -2 -7 10 85.24 2.78 -2 -7 10 79.37 2.96 2 -7 10 81.77 2.97 -2 -7 -10 81.82 2.88 -2 -7 10 84.94 2.85 2 -7 10 85.19 2.82 2 -7 10 86.67 2.79 -2 -7 10 82.47 2.80 -2 -7 -10 80.51 2.80 -2 -7 10 80.81 2.80 -2 -7 10 81.79 2.90 -2 -7 10 82.85 2.80 -2 -7 -10 79.32 2.85 2 -7 10 77.85 2.75 -2 -7 -10 78.80 2.73 2 -7 -10 81.62 2.87 2 -7 10 82.15 2.86 -2 -7 10 80.92 2.86 -2 -7 10 80.17 2.76 -2 -7 10 83.28 2.84 -2 -7 -10 86.30 2.90 2 -7 -10 80.92 2.82 -2 -7 -10 79.76 2.97 2 -7 -10 81.69 2.96 -2 -7 -10 78.51 2.80 -2 -7 -10 77.59 2.79 -2 -7 -10 80.31 2.79 2 -7 11 165.79 5.11 -2 -7 11 176.42 5.27 2 -7 11 167.92 5.28 -2 -7 -11 154.81 5.10 -2 -7 11 164.31 5.03 2 -7 11 154.87 5.22 -2 -7 11 159.12 5.24 -2 -7 -11 166.30 5.13 2 -7 11 168.10 5.06 -2 -7 11 164.82 5.09 -2 -7 11 151.23 4.99 -2 -7 11 159.13 5.01 -2 -7 11 163.45 5.09 -2 -7 -11 161.49 5.04 -2 -7 -11 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0.50 -8 -6 -5 3.51 0.65 -8 -6 5 4.01 0.48 -8 -6 5 4.58 0.53 -8 -6 -5 4.12 0.67 -8 -6 -5 4.10 0.63 -8 -6 5 3.55 0.61 -8 -6 -5 3.81 0.52 -8 -6 -5 3.93 0.60 -8 -6 -5 4.60 0.63 8 -6 5 4.94 1.53 8 -6 -5 4.43 1.44 -8 6 -6 167.21 5.26 -8 -6 -6 165.85 5.28 -8 -6 -6 161.82 5.33 -8 -6 6 142.46 5.30 -8 -6 6 158.21 4.98 -8 -6 -6 162.45 5.26 -8 6 -6 170.57 5.16 8 -6 -6 161.45 5.22 8 -6 6 156.88 5.21 -8 -6 6 163.28 5.03 -8 -6 -6 161.06 5.22 -8 -6 6 167.08 5.17 8 -6 6 156.44 5.08 -8 -6 6 167.31 5.18 -8 -6 6 171.74 5.08 -8 -6 -6 156.20 4.95 -8 -6 6 157.77 5.09 -8 -6 -6 160.23 5.22 -8 -6 -6 144.85 5.15 -8 -6 6 167.28 5.02 -8 -6 6 163.16 5.17 -8 -6 6 159.81 5.18 -8 -6 -6 164.22 5.33 -8 -6 6 159.87 5.06 -8 -6 6 165.47 5.05 -8 -6 -6 155.04 5.09 -8 -6 -6 169.40 5.24 -8 -6 6 162.71 5.24 -8 6 -6 170.81 5.18 -8 -6 -6 164.47 5.20 -8 -6 -6 165.33 5.20 8 -6 6 150.03 7.82 -8 -6 7 36.79 1.81 -8 6 7 37.80 1.66 -8 -6 -7 40.01 1.80 -8 -6 7 41.62 1.56 -8 6 -7 41.07 1.67 8 -6 -7 41.50 1.74 8 -6 7 36.93 1.69 -8 -6 7 42.83 1.61 -8 -6 -7 41.77 1.79 8 -6 7 39.66 1.62 8 -6 7 40.53 1.60 -8 -6 7 39.55 1.69 -8 -6 7 39.49 1.68 -8 -6 -7 39.31 1.76 -8 -6 -7 36.33 1.66 -8 -6 7 41.22 1.55 -8 -6 7 40.09 1.70 -8 -6 7 43.00 1.63 -8 -6 -7 40.84 1.80 -8 -6 -7 38.01 1.49 -8 -6 7 41.18 1.67 -8 -6 -7 42.59 1.86 -8 -6 7 39.93 1.61 -8 -6 7 40.96 1.60 -8 -6 -7 38.74 1.80 -8 6 -7 42.57 1.70 -8 -6 -7 41.80 1.76 -8 -6 -7 38.86 1.73 -8 -6 -7 44.29 1.74 -8 -6 7 40.43 1.71 -8 -6 -7 38.53 1.78 -8 6 -7 40.08 1.78 -8 6 8 4.99 0.60 -8 -6 -8 5.47 0.73 -8 -6 8 5.06 0.72 -8 6 -8 4.87 0.59 -8 6 -8 6.02 0.63 -8 -6 8 6.05 0.57 -8 6 -8 6.88 0.74 -8 -6 -8 5.57 0.70 -8 -6 8 4.78 0.58 8 -6 8 5.37 0.56 8 -6 8 5.96 0.58 -8 -6 8 6.84 0.70 -8 -6 8 6.12 0.67 -8 -6 8 5.29 0.66 -8 -6 -8 4.84 0.74 -8 -6 8 4.57 0.57 -8 -6 8 5.88 0.61 -8 -6 -8 5.68 0.61 -8 -6 -8 4.96 0.71 8 -6 8 4.14 0.53 -8 -6 8 5.20 0.59 -8 -6 8 5.13 0.61 -8 -6 -8 5.52 0.74 -8 -6 -8 4.76 0.57 -8 -6 8 5.50 0.61 8 -6 8 4.85 0.60 8 -6 -8 5.10 0.62 -8 -6 -8 4.88 0.70 -8 -6 -8 5.09 0.70 -8 -6 -9 86.56 3.18 -8 6 9 87.59 3.15 -8 -6 9 84.01 3.23 -8 -6 9 94.30 3.01 -8 6 -9 92.20 3.08 -8 -6 9 95.56 3.11 -8 -6 9 92.41 3.10 -8 -6 9 90.44 3.12 8 -6 9 90.32 3.04 8 -6 9 91.10 3.07 -8 -6 9 92.28 3.18 8 -6 -9 91.40 3.26 -8 -6 -9 96.20 3.27 8 -6 9 87.25 3.00 -8 -6 9 94.26 3.10 -8 -6 9 91.29 3.05 -8 -6 -9 90.42 3.25 -8 -6 -9 90.94 3.20 -8 6 -9 94.26 3.10 -8 -6 -9 93.21 3.22 -8 6 -9 86.54 3.18 -8 -6 -9 85.31 3.19 -8 6 -9 90.32 3.12 -8 -6 10 303.43 8.99 -8 -6 10 303.86 8.99 8 -6 10 302.95 8.99 8 -6 10 290.03 8.95 -8 6 -10 304.77 8.99 -8 -6 10 301.61 8.91 -8 6 -10 308.65 9.05 -8 -6 -10 283.80 9.16 -8 -6 10 296.74 9.06 8 -6 -10 296.25 9.15 8 -6 10 296.64 8.91 -8 -6 10 307.65 9.03 -8 -6 10 301.17 8.97 -8 -6 -10 304.31 9.17 -8 -6 -10 299.11 9.12 -8 -6 -10 305.05 9.14 -8 6 -10 305.60 9.00 -8 -6 -10 286.34 9.13 -8 -6 -10 309.25 9.11 -8 -6 10 304.22 9.17 -8 6 10 293.90 9.10 -8 6 -11 120.82 3.93 -8 -6 -11 119.32 4.01 -8 6 -11 120.69 3.88 -8 -6 11 119.75 3.91 8 -6 11 118.06 3.83 -8 -6 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-8 -6 -13 45.97 1.83 -8 -6 -13 47.17 1.83 -8 -6 -13 44.08 1.76 8 -6 13 45.23 1.85 8 -6 -13 43.84 1.68 -8 -6 -14 5.46 0.61 -8 -6 14 5.80 0.58 -8 -6 -14 5.24 0.56 -8 -6 14 5.40 0.57 -8 -6 -14 6.76 0.65 -8 6 -14 5.60 0.46 -8 6 14 4.98 0.57 -8 -6 -14 5.32 0.50 -8 -6 -14 6.16 0.61 -8 6 -14 5.33 0.45 -8 -6 -14 5.52 0.59 -8 6 -14 4.91 0.51 8 -6 -14 4.62 0.44 8 -6 14 4.85 0.61 -8 -6 -14 5.39 0.52 -8 6 -14 6.11 0.58 -8 -6 -15 0.49 0.40 -8 -6 15 0.98 0.39 -8 -6 -15 0.75 0.35 -8 -6 15 1.13 0.38 -8 -6 -15 0.71 0.40 -8 6 -15 0.63 0.32 8 -6 -15 0.48 0.26 -8 6 -15 0.75 0.36 -8 -6 -15 0.69 0.30 -8 -6 -15 0.71 0.41 -8 -6 -15 0.76 0.41 8 -6 15 0.71 0.41 -8 6 15 0.46 0.37 -8 -6 -15 0.97 0.33 8 -6 16 12.29 0.67 -8 -6 -16 9.92 0.52 -8 -6 16 10.71 0.62 -8 -6 -16 11.58 0.65 -8 -6 -16 11.56 0.62 -8 6 16 10.17 0.64 -8 6 -16 12.38 0.62 -8 6 -16 11.36 0.58 -8 -6 16 10.92 0.63 -8 -6 -16 11.88 0.65 -8 -6 16 11.65 0.64 -8 -6 -16 11.38 0.64 -8 -6 -16 11.07 0.64 -8 -6 -17 150.96 4.45 -8 -6 -17 146.23 4.41 -8 6 -17 156.75 4.42 -8 -6 17 148.46 4.45 8 -6 17 145.09 4.39 -8 -6 -17 129.02 4.40 -8 -6 -17 154.39 4.45 -8 -6 -17 154.84 4.45 -8 -6 -17 151.28 4.45 -8 -6 17 154.23 4.46 -8 -6 17 152.64 4.47 -8 6 -17 146.51 4.38 8 -6 17 151.88 4.46 -8 6 17 143.35 4.46 -8 6 -17 160.61 4.46 -8 6 17 138.78 4.46 -8 6 -17 151.88 4.41 -8 -6 18 128.86 3.21 -8 -6 18 109.88 3.14 -8 -6 -18 112.41 3.16 -8 -6 18 117.91 3.18 -8 6 -18 138.71 3.20 -8 -6 -18 123.41 3.17 -8 -6 -18 125.68 3.18 -8 -6 -18 126.31 3.18 -8 -7 0 176.96 5.74 -8 -7 0 179.70 5.79 -8 -7 0 168.44 5.46 -8 -7 0 175.39 5.37 8 -7 0 169.49 5.77 -8 -7 0 181.31 5.55 -8 -7 0 175.90 5.55 -8 -7 0 183.20 5.47 -8 -7 0 177.08 5.51 -8 -7 0 182.09 5.70 8 -7 0 181.93 5.63 -8 -7 0 186.89 5.58 -8 -7 0 166.08 5.71 -8 -7 0 174.08 5.39 -8 -7 0 172.79 5.55 -8 -7 0 167.46 5.38 -8 -7 0 173.94 5.52 -8 -7 0 180.23 5.54 -8 -7 0 165.88 5.72 -8 7 0 186.23 5.65 -8 -7 0 179.39 5.59 -8 -7 1 0.98 0.47 -8 -7 -1 1.67 0.51 -8 -7 1 1.80 0.58 -8 -7 -1 1.49 0.57 -8 -7 1 1.09 0.38 -8 -7 -1 1.49 0.49 -8 -7 -1 1.52 0.39 -8 -7 -1 1.14 0.52 -8 -7 1 2.12 0.57 -8 -7 1 1.99 0.41 -8 -7 -1 1.25 0.43 -8 -7 1 1.62 0.49 -8 -7 -1 1.47 0.47 -8 -7 1 1.89 0.45 -8 -7 -1 1.35 0.46 -8 -7 1 2.41 0.55 -8 -7 1 2.45 0.41 -8 -7 -1 1.27 0.52 -8 -7 -1 1.19 0.57 -8 -7 1 1.59 0.52 -8 -7 -1 1.55 0.60 -8 -7 1 1.75 0.57 -8 -7 -1 1.82 0.49 -8 -7 1 1.94 0.62 8 -7 1 1.85 0.56 8 -7 -1 1.71 0.63 8 -7 -1 2.04 0.77 -8 -7 1 1.03 0.40 -8 -7 -1 1.30 0.40 -8 -7 1 1.56 0.43 -8 -7 -1 1.89 0.51 -8 -7 -1 1.55 0.38 -8 -7 1 1.04 0.35 -8 -7 1 2.05 0.52 -8 -7 -1 1.57 0.48 -8 -7 1 1.48 0.51 -8 -7 -1 1.54 0.49 -8 -7 -1 0.85 0.57 -8 7 -1 1.52 0.57 -8 7 1 0.83 0.55 -8 -7 2 44.57 1.91 -8 -7 -2 44.82 1.79 -8 -7 2 43.57 1.67 8 -7 -2 45.68 2.04 8 -7 2 47.45 2.04 -8 -7 -2 44.88 1.83 -8 -7 2 44.16 1.68 -8 -7 -2 45.71 1.77 8 -7 2 42.19 1.72 -8 -7 2 46.72 1.85 -8 -7 -2 45.26 1.78 -8 -7 2 44.91 1.84 -8 -7 -2 46.87 1.73 -8 -7 -2 44.23 1.91 -8 -7 2 41.99 1.71 -8 -7 2 42.53 1.73 -8 -7 -2 46.93 1.83 8 -7 2 45.61 1.80 8 -7 -2 46.67 1.96 -8 -7 2 49.76 1.87 -8 -7 -2 46.25 1.80 -8 -7 -2 43.43 1.97 -8 -7 2 43.03 1.91 -8 -7 2 44.85 1.69 -8 -7 -2 45.72 1.65 -8 -7 -2 44.71 1.71 -8 -7 2 44.21 1.63 -8 -7 2 41.18 1.69 -8 -7 -2 43.27 1.87 -8 -7 2 45.30 1.78 -8 -7 -2 46.23 1.84 -8 -7 -2 45.70 1.83 -8 -7 2 46.01 1.79 -8 -7 -2 44.98 1.97 -8 -7 2 44.50 1.98 -8 -7 2 45.97 1.84 -8 7 -2 45.06 1.87 -8 7 2 45.50 1.89 -8 -7 -2 46.37 1.86 -8 -7 3 32.47 1.65 -8 -7 -3 27.65 1.59 -8 -7 3 34.29 1.54 -8 -7 3 31.72 1.30 -8 -7 -3 32.95 1.47 8 -7 -3 35.82 1.68 8 -7 3 33.88 1.65 -8 -7 -3 34.42 1.50 -8 -7 3 33.93 1.36 -8 -7 -3 33.07 1.41 8 -7 3 32.95 1.39 -8 -7 -3 33.27 1.41 -8 -7 -3 34.85 1.39 -8 -7 -3 30.88 1.52 -8 -7 3 32.95 1.41 -8 -7 3 33.22 1.39 -8 -7 -3 32.58 1.47 8 -7 3 32.15 1.40 8 -7 -3 37.35 1.68 -8 -7 -3 34.28 1.44 -8 -7 3 32.47 1.54 -8 -7 3 36.02 1.39 -8 -7 -3 31.62 1.28 -8 -7 3 31.91 1.27 -8 -7 -3 31.62 1.37 -8 -7 -3 32.36 1.54 -8 -7 3 35.30 1.45 -8 -7 -3 35.86 1.50 -8 -7 -3 35.65 1.51 -8 -7 3 32.17 1.42 -8 -7 3 36.05 1.65 -8 -7 -3 32.60 1.61 -8 7 -3 32.22 1.51 -8 7 3 34.58 1.55 8 -7 3 27.77 1.36 -8 -7 -3 34.05 1.54 -8 -7 4 24.48 1.19 -8 -7 -4 19.56 1.24 -8 -7 4 22.27 1.35 8 -7 4 21.32 1.04 -8 -7 -4 21.24 1.16 -8 -7 4 20.61 0.97 8 -7 -4 24.36 1.33 8 -7 4 22.29 1.29 -8 -7 4 23.48 1.07 -8 -7 -4 22.88 1.19 8 -7 4 22.63 1.07 -8 -7 -4 21.51 1.05 -8 -7 -4 22.04 1.05 -8 -7 4 23.98 1.12 -8 -7 -4 24.14 1.07 -8 -7 -4 20.80 1.19 -8 -7 4 21.52 1.10 -8 -7 4 25.37 1.10 -8 -7 -4 22.62 1.17 8 -7 -4 22.30 1.32 -8 -7 4 22.98 1.20 -8 -7 4 23.59 1.20 -8 -7 -4 22.83 1.11 -8 -7 4 23.31 1.08 -8 -7 -4 22.74 1.09 -8 -7 -4 20.56 1.23 -8 -7 4 22.12 0.96 -8 -7 4 22.28 1.12 -8 -7 -4 22.59 1.18 -8 -7 4 23.76 1.15 -8 -7 -4 22.20 1.18 -8 -7 -4 22.19 1.26 -8 -7 4 24.52 1.30 -8 -7 -4 23.18 1.21 -8 7 4 22.50 1.22 -8 7 -4 22.31 1.21 8 -7 4 20.04 1.11 -8 -7 -5 22.03 1.27 -8 -7 5 19.06 1.25 -8 -7 5 23.63 1.13 8 -7 5 20.93 1.00 -8 -7 5 19.62 0.96 -8 -7 -5 20.17 1.15 -8 7 -5 22.71 1.14 8 -7 -5 20.91 1.21 8 -7 5 21.00 1.22 -8 -7 5 22.85 1.05 -8 -7 -5 23.22 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36.44 1.57 -8 -7 6 36.42 1.58 -8 -7 -6 35.36 1.56 -8 7 -6 33.13 1.52 -8 7 6 34.95 1.59 8 -7 6 29.04 1.49 8 -7 7 9.20 0.83 -8 -7 -7 10.59 0.83 -8 7 7 10.84 0.87 -8 7 -7 10.40 0.81 -8 -7 7 9.45 0.84 -8 -7 -7 10.45 0.87 -8 -7 -7 8.93 0.81 -8 -7 7 10.28 0.65 -8 7 -7 10.80 0.75 8 -7 -7 10.13 0.77 8 -7 7 9.20 0.76 -8 -7 7 10.00 0.70 8 -7 7 9.45 0.66 -8 -7 7 10.88 0.83 -8 -7 7 11.27 0.84 -8 -7 7 11.14 0.75 -8 -7 -7 10.00 0.73 -8 -7 7 9.18 0.74 -8 -7 -7 11.31 0.90 -8 -7 7 9.35 0.66 -8 -7 7 10.90 0.74 -8 -7 -7 9.36 0.72 -8 -7 7 11.10 0.79 -8 -7 -7 10.68 0.83 -8 -7 -7 10.66 0.84 -8 7 -7 10.88 0.77 -8 -7 -7 10.94 0.79 -8 -7 8 55.95 2.04 8 -7 8 52.56 1.94 -8 -7 8 54.21 2.02 -8 -7 8 54.65 1.97 8 -7 -8 51.33 1.99 8 -7 8 51.56 1.93 -8 -7 8 53.15 2.03 -8 -7 -8 51.30 1.93 -8 -7 8 52.70 2.15 -8 -7 -8 56.47 2.14 -8 -7 8 54.92 1.90 -8 7 -8 56.65 1.99 -8 -7 8 49.45 1.91 8 -7 8 53.79 1.95 -8 -7 8 54.12 1.96 -8 -7 -8 50.83 2.11 -8 -7 -8 51.88 1.99 -8 -7 -8 55.78 2.09 -8 -7 -8 54.70 2.08 -8 7 -8 57.03 2.00 -8 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0.50 -12 5 -5 4.51 0.76 -12 5 5 3.35 0.67 -12 -5 -5 3.44 0.52 -12 -5 5 3.07 0.57 -12 -5 -5 3.21 0.49 -12 -5 5 3.86 0.62 -12 -5 5 3.47 0.57 -12 -5 -5 3.97 0.69 -12 -5 -5 3.84 0.63 -12 -5 5 4.22 0.63 -12 -5 5 2.76 0.47 -12 -5 -5 4.21 0.66 -12 -5 -5 3.21 0.58 -12 -5 5 3.44 0.61 12 -5 -5 2.98 0.62 12 -5 5 2.89 0.61 -12 -5 5 4.22 0.48 -12 -5 5 3.48 0.46 -12 -5 -5 3.05 0.53 -12 -5 -5 3.45 0.55 -12 -5 -6 110.23 3.66 -12 5 -6 112.33 3.76 -12 5 6 109.25 3.67 -12 -5 -6 110.25 3.58 -12 -5 6 107.88 3.62 12 -5 -6 111.31 3.67 12 -5 6 106.90 3.64 -12 -5 -6 104.83 3.51 -12 -5 6 97.34 3.79 -12 -5 -6 105.63 3.75 -12 -5 -6 103.97 3.67 -12 -5 6 108.14 3.65 -12 -5 6 115.14 3.60 -12 -5 -6 104.80 3.51 -12 -5 -6 106.80 3.71 -12 -5 6 105.11 3.63 12 -5 6 99.83 3.49 -12 -5 6 104.98 3.51 -12 -5 -6 105.32 3.71 -12 -5 -6 104.99 3.61 -12 -5 6 110.32 3.66 -12 -5 -6 106.64 3.54 -12 -5 -6 106.75 3.54 -12 5 -6 112.70 3.59 -12 -5 -7 213.27 6.68 -12 -5 -7 208.47 6.53 -12 5 -7 219.10 6.53 -12 -5 7 208.74 6.56 12 -5 -7 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3.21 0.63 12 -6 -3 3.69 0.64 12 -6 -3 3.53 0.69 12 -6 3 3.56 0.70 -12 -6 -3 3.20 0.57 -12 -6 3 3.64 0.49 -12 -6 3 4.01 0.49 -12 -6 -3 3.56 0.52 -12 -6 -3 3.19 0.51 -12 -6 -3 3.13 0.61 -12 -6 3 4.65 0.65 -12 6 -3 3.84 0.72 12 -6 4 22.92 1.12 12 -6 -4 24.96 1.27 12 -6 4 23.79 1.27 -12 -6 4 20.84 1.12 -12 -6 -4 22.45 1.24 -12 -6 -4 22.54 1.04 -12 -6 4 24.79 1.20 -12 -6 4 25.98 1.35 -12 -6 -4 21.64 1.28 -12 -6 -4 25.77 1.30 -12 -6 4 22.24 1.21 12 -6 -4 22.28 1.22 -12 6 -4 22.13 1.26 -12 -6 -4 21.63 1.18 -12 -6 -4 22.34 1.21 -12 -6 4 23.38 1.25 -12 6 -4 21.60 1.11 -12 -6 -4 20.49 1.02 -12 -6 -4 21.88 1.08 -12 -6 4 24.96 1.07 -12 -6 -4 21.92 1.09 -12 6 -4 22.12 1.13 -12 -6 4 25.13 1.07 -12 -6 -5 6.04 0.57 -12 -6 -5 6.57 0.76 -12 -6 -5 5.83 0.54 12 -6 5 6.57 0.62 -12 -6 5 6.61 0.65 -12 -6 -5 5.47 0.55 -12 -6 5 6.50 0.66 -12 -6 -5 5.35 0.68 -12 -6 -5 6.49 0.72 12 -6 -5 6.75 0.74 12 -6 -5 5.26 0.66 12 -6 5 5.94 0.68 -12 -6 -5 5.15 0.66 -12 -6 -5 6.18 0.60 -12 -6 -5 6.50 0.62 -12 -6 5 7.22 0.70 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3 0.56 0.31 -19 0 -3 -0.03 0.23 -19 0 -3 -0.02 0.28 -19 0 3 0.08 0.28 -19 0 3 -0.22 0.24 -19 0 -4 5.81 0.34 -19 0 -4 7.45 0.45 -19 0 4 6.89 0.45 19 0 4 6.82 0.43 -19 0 4 5.90 0.44 -19 0 -5 0.30 0.20 -19 0 5 0.40 0.26 19 0 5 0.21 0.24 -19 0 -6 126.70 3.63 -19 0 6 118.34 3.61 19 0 6 113.29 3.54 -19 0 6 120.80 3.62 -19 0 7 0.16 0.22 -19 0 -7 -0.01 0.21 19 0 7 0.01 0.15 -19 0 7 -0.17 0.18 -19 0 -8 5.85 0.30 19 0 8 6.73 0.34 -19 0 -8 5.92 0.32 -19 0 8 7.46 0.37 -19 0 -8 5.28 0.30 -19 1 0 0.06 0.27 -19 -1 0 0.30 0.31 -19 -1 0 -0.40 0.32 -19 1 0 -0.26 0.29 -19 -1 -1 41.14 1.44 -19 -1 1 38.77 1.45 -19 1 -1 39.26 1.40 -19 1 1 40.44 1.44 -19 1 -1 36.67 1.39 19 -1 -1 40.54 1.47 19 -1 1 40.93 1.47 -19 -1 -1 39.69 1.44 -19 1 -1 39.41 1.43 19 -1 -2 3.03 0.39 19 -1 2 2.12 0.36 -19 -1 -2 2.82 0.35 -19 1 -2 3.09 0.38 -19 -1 -2 2.46 0.37 -19 -1 2 2.69 0.38 -19 1 -2 2.50 0.36 -19 1 2 2.18 0.35 -19 1 -2 2.15 0.30 -19 1 2 2.61 0.37 -19 -1 -2 2.93 0.36 -19 -1 2 3.13 0.40 19 1 3 98.51 2.85 -19 -1 -3 93.58 2.88 -19 -1 3 99.30 2.97 -19 1 3 102.23 2.97 -19 -1 -3 101.27 2.93 -19 -1 3 98.01 2.93 -19 1 -3 101.21 2.92 -19 1 3 96.06 2.91 -19 -1 3 90.14 2.87 -19 1 -3 98.47 2.94 -19 1 3 78.21 2.81 -19 -1 -3 102.43 2.95 19 1 4 128.29 3.99 19 -1 4 146.68 4.08 -19 -1 -4 117.83 3.98 -19 1 4 149.28 4.14 -19 -1 -4 134.11 4.06 -19 -1 4 139.98 4.08 -19 1 -4 139.22 4.06 -19 1 4 138.63 4.07 -19 -1 4 139.03 4.08 -19 1 4 124.48 4.02 -19 -1 -4 145.72 4.12 -19 -1 -5 13.74 0.60 -19 1 -5 13.80 0.60 -19 -1 5 16.69 0.71 -19 -1 5 16.88 0.70 -19 1 5 15.37 0.65 -19 1 -5 16.08 0.66 19 1 5 12.85 0.56 19 -1 5 16.59 0.68 19 -1 6 109.17 3.21 -19 -1 6 101.49 3.21 -19 1 -6 110.91 3.25 -19 -1 -6 114.48 3.26 -19 -1 6 107.94 3.24 -19 1 6 95.46 3.20 -19 -1 -7 15.55 0.62 19 -1 7 17.06 0.64 -19 1 7 15.61 0.65 -19 -1 -7 16.37 0.67 -19 1 -7 17.36 0.67 -19 -1 7 18.55 0.69 -19 1 7 15.56 0.65 -19 -1 -8 12.50 0.47 -19 1 8 12.24 0.49 19 -1 8 10.76 0.45 -19 -2 0 0.14 0.29 -19 2 0 0.04 0.26 -19 2 0 0.20 0.25 -19 -2 0 0.37 0.28 -19 -2 -1 116.73 3.41 -19 2 -1 110.65 3.38 -19 -2 -1 115.22 3.41 -19 -2 1 115.43 3.43 -19 2 1 109.77 3.36 -19 -2 -2 0.28 0.26 -19 2 2 0.42 0.27 -19 -2 -2 -0.20 0.26 -19 -2 2 0.27 0.29 -19 2 -2 0.07 0.16 -19 -2 -2 -0.37 0.27 -19 -2 2 0.53 0.29 -19 2 -2 0.07 0.26 -19 2 2 0.30 0.25 -19 -2 -3 4.34 0.36 -19 2 3 5.29 0.40 -19 -2 -3 4.26 0.36 -19 -2 3 4.29 0.38 -19 2 -3 5.01 0.36 -19 2 3 4.49 0.37 -19 -2 -3 4.25 0.37 -19 -2 -4 54.94 1.88 -19 -2 4 71.20 2.01 -19 2 4 69.46 2.00 -19 -2 -4 65.53 1.93 -19 -2 4 67.12 1.95 -19 2 -4 61.41 1.92 -19 2 4 62.46 1.93 19 -2 4 69.35 1.98 -19 -2 -4 69.13 2.00 -19 -2 -5 1.90 0.20 -19 2 -5 2.03 0.20 19 -2 5 3.26 0.30 -19 -2 5 2.75 0.28 -19 2 5 2.97 0.31 -19 2 -5 2.72 0.31 -19 2 5 2.20 0.22 -19 2 -5 2.83 0.27 19 -2 6 4.55 0.31 -19 2 -6 4.41 0.31 -19 -2 -6 4.10 0.28 -19 2 -6 4.35 0.31 -19 2 6 3.74 0.26 -19 -2 -6 4.29 0.32 -19 -2 -7 2.42 0.21 19 -2 7 2.51 0.21 -19 2 -7 1.96 0.20 -19 -2 -7 2.54 0.20 -19 2 7 2.64 0.21 -19 -3 0 0.17 0.25 -19 -3 0 -0.14 0.23 -19 3 0 0.18 0.21 -19 -3 -1 97.51 2.80 -19 -3 1 100.56 2.82 -19 -3 -1 98.84 2.80 -19 3 -1 95.23 2.77 -19 -3 -2 16.63 0.66 -19 3 2 13.71 0.60 19 -3 2 14.68 0.62 -19 -3 -2 17.12 0.66 -19 -3 2 16.88 0.66 -19 3 -2 15.15 0.63 -19 3 2 14.59 0.63 -19 -3 -3 48.94 1.58 -19 -3 -3 47.83 1.56 -19 -3 3 55.42 1.62 -19 3 3 47.70 1.57 19 -3 3 51.50 1.58 -19 -3 -3 49.93 1.57 -19 -3 3 50.80 1.58 -19 3 -3 44.65 1.54 -19 3 3 48.36 1.56 -19 -3 4 21.02 0.76 -19 3 4 21.69 0.77 -19 -3 -4 20.63 0.77 19 -3 4 20.21 0.75 19 -3 5 26.82 0.91 -19 3 -5 27.03 0.93 -19 3 5 29.48 0.94 -20 0 0 223.25 5.75 -20 0 0 177.86 5.68 -20 0 -1 0.07 0.18 20 0 1 -0.08 0.14 -20 0 1 0.09 0.17 -20 0 -2 127.01 3.85 -20 0 2 132.25 3.86 -20 0 2 133.25 3.87 -20 0 3 0.09 0.16 -20 -1 0 0.55 0.18 -20 1 0 0.48 0.17 -20 -1 0 0.62 0.17 -20 -1 -1 4.27 0.28 -20 1 -1 4.06 0.27 20 -1 1 4.00 0.26 -20 -1 1 3.46 0.26 -20 -1 -2 47.90 1.54 -20 -1 2 48.92 1.55 -20 1 -2 47.95 1.53 -20 1 2 49.55 1.54 -20 -1 2 52.32 1.57 -20 1 2 48.16 1.54 20 -1 2 52.09 1.55 -20 -1 3 1.11 0.17 0 0 0 0.00 0.00 TITL 24VKh_R125a_auto in Pbca REM Pbca (#61, found as Pcab in ba-c setting) CELL 1.54184 15.863260 8.796082 19.246890 90.0000 90.0000 90.0000 ZERR 5.00 0.000080 0.000034 0.000080 0.0000 0.0000 0.0000 LATT 1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N O Cl UNIT 100.00 100.00 15.00 15.00 10.00 REM CrysAlisPro recorded range (K): Min=99.9; max=100.0; aver:100.0 TEMP -173 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 91984 _shelx_res_file ; TITL (4) in Pbca CELL 1.54184 15.86326 8.79608 19.24680 90.0000 90.0000 90.0000 ZERR 8.00 0.00008 0.00003 0.00008 0.0000 0.0000 0.0000 LATT 1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H Cl N O UNIT 120 104 8 16 16 TEMP -173.0 SIZE 0.06 0.11 0.12 L.S. 12 BOND $H ACTA CONF WGHT 0.040700 1.406600 FVAR 0.38783 CL1 3 0.628559 0.690841 0.301961 11.00000 0.02274 0.01621 = 0.02730 0.00687 -0.00065 0.00088 O1 5 0.556140 -0.133953 0.463922 11.00000 0.02988 0.01552 = 0.02074 0.00271 -0.00376 -0.00030 O2 5 0.526498 0.034512 0.379327 11.00000 0.01994 0.01837 = 0.01652 0.00221 -0.00412 -0.00082 N1 4 0.686198 0.050630 0.503706 11.00000 0.01903 0.01627 = 0.01426 -0.00084 -0.00071 0.00194 N2 4 0.747797 0.141319 0.526475 11.00000 0.02136 0.01462 = 0.01675 0.00308 -0.00328 -0.00076 H2 2 0.758536 0.227325 0.507025 11.00000 0.02493 C1 1 0.637030 0.096382 0.454058 11.00000 0.01997 0.01460 = 0.01379 -0.00058 -0.00017 0.00314 C2 1 0.570501 -0.015170 0.434403 11.00000 0.02095 0.01509 = 0.01426 -0.00103 -0.00022 0.00430 C3 1 0.457412 -0.061500 0.357651 11.00000 0.01822 0.02472 = 0.02108 -0.00093 -0.00200 -0.00220 AFIX 137 H3A 2 0.427825 -0.013664 0.318664 11.00000 -1.50000 H3B 2 0.418208 -0.075287 0.396495 11.00000 -1.50000 H3C 2 0.479352 -0.160661 0.343094 11.00000 -1.50000 AFIX 0 C4 1 0.640408 0.247404 0.419051 11.00000 0.01651 0.01477 = 0.01590 0.00069 -0.00417 0.00098 C5 1 0.610397 0.377649 0.452164 11.00000 0.02413 0.01760 = 0.01458 -0.00128 -0.00159 0.00120 AFIX 43 H5 2 0.591581 0.371883 0.498949 11.00000 -1.20000 AFIX 0 C6 1 0.607823 0.515970 0.417153 11.00000 0.02264 0.01516 = 0.02040 -0.00207 -0.00280 0.00222 AFIX 43 H6 2 0.586870 0.604608 0.439448 11.00000 -1.20000 AFIX 0 C7 1 0.636395 0.522069 0.349134 11.00000 0.01616 0.01493 = 0.02158 0.00351 -0.00392 -0.00129 C8 1 0.669071 0.395137 0.315831 11.00000 0.02063 0.02003 = 0.01838 0.00254 0.00171 0.00156 AFIX 43 H8 2 0.690316 0.402361 0.269801 11.00000 -1.20000 AFIX 0 C9 1 0.670128 0.257517 0.351020 11.00000 0.02092 0.01680 = 0.01874 -0.00051 0.00079 0.00277 AFIX 43 H9 2 0.691312 0.169273 0.328547 11.00000 -1.20000 AFIX 0 C10 1 0.798525 0.092003 0.581910 11.00000 0.01808 0.01514 = 0.01341 -0.00097 0.00023 0.00397 C11 1 0.774362 -0.031654 0.622770 11.00000 0.01829 0.01468 = 0.01716 -0.00033 -0.00054 -0.00089 AFIX 43 H11 2 0.722812 -0.082930 0.613714 11.00000 -1.20000 AFIX 0 C12 1 0.826081 -0.079240 0.676694 11.00000 0.02564 0.01667 = 0.01638 0.00304 -0.00053 0.00040 AFIX 43 H12 2 0.810088 -0.164634 0.703888 11.00000 -1.20000 AFIX 0 C13 1 0.901007 -0.003733 0.691516 11.00000 0.02198 0.02175 = 0.01731 0.00050 -0.00371 0.00420 AFIX 43 H13 2 0.935983 -0.036695 0.728642 11.00000 -1.20000 AFIX 0 C14 1 0.923948 0.120793 0.651145 11.00000 0.01700 0.01941 = 0.01973 -0.00365 -0.00009 0.00060 AFIX 43 H14 2 0.974580 0.173980 0.661344 11.00000 -1.20000 AFIX 0 C15 1 0.873772 0.168386 0.596101 11.00000 0.01829 0.01489 = 0.01757 -0.00052 0.00308 0.00065 AFIX 43 H15 2 0.890545 0.252344 0.568299 11.00000 -1.20000 AFIX 0 HKLF 4 REM (4) in Pbca REM R1 = 0.0303 for 2871 Fo > 4sig(Fo) and 0.0308 for all 2935 data REM 186 parameters refined using 0 restraints END WGHT 0.0407 1.4066 REM Highest difference peak 0.289, deepest hole -0.284, 1-sigma level 0.047 Q1 1 0.6399 0.1752 0.4341 11.00000 0.05 0.29 Q2 1 0.6573 0.2570 0.3891 11.00000 0.05 0.29 Q3 1 0.6014 0.5049 0.3718 11.00000 0.05 0.26 Q4 1 0.6357 0.5357 0.3876 11.00000 0.05 0.25 Q5 1 0.8037 -0.0539 0.6472 11.00000 0.05 0.25 Q6 1 0.7800 0.0463 0.6073 11.00000 0.05 0.25 Q7 1 0.8386 0.1288 0.5870 11.00000 0.05 0.24 Q8 1 0.6018 0.0514 0.4461 11.00000 0.05 0.23 Q9 1 0.6283 0.3105 0.4351 11.00000 0.05 0.22 Q10 1 0.9032 0.1362 0.6191 11.00000 0.05 0.22 Q11 1 0.7783 0.1059 0.5519 11.00000 0.05 0.22 Q12 1 0.6640 0.4686 0.3360 11.00000 0.05 0.20 Q13 1 0.8577 -0.0285 0.6900 11.00000 0.05 0.18 Q14 1 0.9025 0.0830 0.6791 11.00000 0.05 0.18 Q15 1 0.6220 0.6826 0.2435 11.00000 0.05 0.18 Q16 1 0.6232 0.4500 0.4343 11.00000 0.05 0.18 Q17 1 0.4555 -0.0285 0.2968 11.00000 0.05 0.18 Q18 1 0.6319 0.6819 0.3586 11.00000 0.05 0.17 Q19 1 0.6686 0.0758 0.4620 11.00000 0.05 0.17 Q20 1 0.6566 0.3178 0.3297 11.00000 0.05 0.15 ; _shelx_res_checksum 71331 _shelxl_version_number .2013 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z-1/2' '-x-1/2, y-1/2, 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 Cl Cl1 0.62856(2) 0.69084(3) 0.30196(2) 0.02208(10) Uani d 1 . . O O1 0.55614(6) -0.13395(10) 0.46392(4) 0.02205(19) Uani d 1 . . O O2 0.52650(5) 0.03451(9) 0.37933(4) 0.01828(18) Uani d 1 . . N N1 0.68620(6) 0.05063(11) 0.50371(5) 0.0165(2) Uani d 1 . . N N2 0.74780(6) 0.14132(11) 0.52647(5) 0.0176(2) Uani d 1 . . H H2 0.7585(10) 0.227(2) 0.5070(9) 0.025(4) Uiso d 1 . . C C1 0.63703(7) 0.09638(13) 0.45406(6) 0.0161(2) Uani d 1 . . C C2 0.57050(7) -0.01517(13) 0.43440(6) 0.0168(2) Uani d 1 . . C C3 0.45741(7) -0.06150(15) 0.35765(6) 0.0213(2) Uani d 1 . . H H3A 0.4278 -0.0137 0.3187 0.032 Uiso calc 1 . . H H3B 0.4182 -0.0753 0.3965 0.032 Uiso calc 1 . . H H3C 0.4794 -0.1607 0.3431 0.032 Uiso calc 1 . . C C4 0.64041(7) 0.24740(13) 0.41905(6) 0.0157(2) Uani d 1 . . C C5 0.61040(8) 0.37765(14) 0.45216(6) 0.0188(2) Uani d 1 . . H H5 0.5916 0.3719 0.4989 0.023 Uiso calc 1 . . C C6 0.60782(8) 0.51597(14) 0.41715(6) 0.0194(2) Uani d 1 . . H H6 0.5869 0.6046 0.4394 0.023 Uiso calc 1 . . C C7 0.63640(7) 0.52207(13) 0.34913(6) 0.0176(2) Uani d 1 . . C C8 0.66907(8) 0.39514(14) 0.31583(6) 0.0197(2) Uani d 1 . . H H8 0.6903 0.4024 0.2698 0.024 Uiso calc 1 . . C C9 0.67013(7) 0.25752(13) 0.35102(6) 0.0188(2) Uani d 1 . . H H9 0.6913 0.1693 0.3285 0.023 Uiso calc 1 . . C C10 0.79852(7) 0.09200(13) 0.58191(6) 0.0155(2) Uani d 1 . . C C11 0.77436(7) -0.03165(13) 0.62277(6) 0.0167(2) Uani d 1 . . H H11 0.7228 -0.0829 0.6137 0.020 Uiso calc 1 . . C C12 0.82608(8) -0.07924(13) 0.67669(6) 0.0196(2) Uani d 1 . . H H12 0.8101 -0.1646 0.7039 0.023 Uiso calc 1 . . C C13 0.90101(8) -0.00373(14) 0.69152(6) 0.0203(2) Uani d 1 . . H H13 0.9360 -0.0367 0.7286 0.024 Uiso calc 1 . . C C14 0.92395(7) 0.12079(13) 0.65114(6) 0.0187(2) Uani d 1 . . H H14 0.9746 0.1740 0.6613 0.022 Uiso calc 1 . . C C15 0.87377(7) 0.16839(13) 0.59610(6) 0.0169(2) Uani d 1 . . H H15 0.8905 0.2523 0.5683 0.020 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 Cl1 0.02274(16) 0.01621(15) 0.02730(17) 0.00088(10) -0.00065(10) 0.00687(10) O1 0.0299(5) 0.0155(4) 0.0207(4) -0.0003(3) -0.0038(3) 0.0027(3) O2 0.0199(4) 0.0184(4) 0.0165(4) -0.0008(3) -0.0041(3) 0.0022(3) N1 0.0190(5) 0.0163(4) 0.0143(4) 0.0019(4) -0.0007(3) -0.0008(4) N2 0.0214(5) 0.0146(4) 0.0168(4) -0.0008(4) -0.0033(4) 0.0031(4) C1 0.0200(5) 0.0146(5) 0.0138(5) 0.0031(4) -0.0002(4) -0.0006(4) C2 0.0209(5) 0.0151(5) 0.0143(5) 0.0043(4) -0.0002(4) -0.0010(4) C3 0.0182(5) 0.0247(6) 0.0211(5) -0.0022(5) -0.0020(4) -0.0009(5) C4 0.0165(5) 0.0148(5) 0.0159(5) 0.0010(4) -0.0042(4) 0.0007(4) C5 0.0241(6) 0.0176(6) 0.0146(5) 0.0012(5) -0.0016(4) -0.0013(4) C6 0.0226(6) 0.0152(5) 0.0204(6) 0.0022(4) -0.0028(4) -0.0021(4) C7 0.0162(5) 0.0149(5) 0.0216(6) -0.0013(4) -0.0039(4) 0.0035(4) C8 0.0206(6) 0.0200(6) 0.0184(5) 0.0016(4) 0.0017(4) 0.0025(4) C9 0.0209(5) 0.0168(5) 0.0187(5) 0.0028(4) 0.0008(4) -0.0005(4) C10 0.0181(5) 0.0151(5) 0.0134(5) 0.0040(4) 0.0002(4) -0.0010(4) C11 0.0183(5) 0.0147(5) 0.0172(5) -0.0009(4) -0.0005(4) -0.0003(4) C12 0.0256(6) 0.0167(5) 0.0164(5) 0.0004(4) -0.0005(4) 0.0030(4) C13 0.0220(6) 0.0218(6) 0.0173(5) 0.0042(5) -0.0037(4) 0.0005(4) C14 0.0170(5) 0.0194(5) 0.0197(5) 0.0006(4) -0.0001(4) -0.0036(4) C15 0.0183(5) 0.0149(5) 0.0176(5) 0.0006(4) 0.0031(4) -0.0005(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C2 O2 C3 . . 115.60(9) ? C1 N1 N2 . . 119.75(10) ? N1 N2 C10 . . 118.94(9) ? N1 N2 H2 . . 121.8(11) ? C10 N2 H2 . . 119.2(11) ? N1 C1 C2 . . 114.11(10) ? N1 C1 C4 . . 126.00(11) ? C2 C1 C4 . . 119.84(10) ? O1 C2 O2 . . 123.61(11) ? O1 C2 C1 . . 125.62(11) ? O2 C2 C1 . . 110.76(10) ? O2 C3 H3A . . 109.5 ? O2 C3 H3B . . 109.5 ? H3A C3 H3B . . 109.5 ? O2 C3 H3C . . 109.5 ? H3A C3 H3C . . 109.5 ? H3B C3 H3C . . 109.5 ? C9 C4 C5 . . 119.48(11) ? C9 C4 C1 . . 119.57(10) ? C5 C4 C1 . . 120.88(10) ? C6 C5 C4 . . 120.46(11) ? C6 C5 H5 . . 119.8 ? C4 C5 H5 . . 119.8 ? C7 C6 C5 . . 118.79(11) ? C7 C6 H6 . . 120.6 ? C5 C6 H6 . . 120.6 ? C6 C7 C8 . . 121.81(11) ? C6 C7 Cl1 . . 120.07(9) ? C8 C7 Cl1 . . 118.09(9) ? C9 C8 C7 . . 118.75(11) ? C9 C8 H8 . . 120.6 ? C7 C8 H8 . . 120.6 ? C8 C9 C4 . . 120.66(11) ? C8 C9 H9 . . 119.7 ? C4 C9 H9 . . 119.7 ? C11 C10 C15 . . 119.96(10) ? C11 C10 N2 . . 120.74(10) ? C15 C10 N2 . . 119.30(10) ? C12 C11 C10 . . 119.61(11) ? C12 C11 H11 . . 120.2 ? C10 C11 H11 . . 120.2 ? C11 C12 C13 . . 120.97(11) ? C11 C12 H12 . . 119.5 ? C13 C12 H12 . . 119.5 ? C12 C13 C14 . . 119.00(11) ? C12 C13 H13 . . 120.5 ? C14 C13 H13 . . 120.5 ? C15 C14 C13 . . 120.87(11) ? C15 C14 H14 . . 119.6 ? C13 C14 H14 . . 119.6 ? C14 C15 C10 . . 119.58(11) ? C14 C15 H15 . . 120.2 ? C10 C15 H15 . . 120.2 ? 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 Cl1 C7 . 1.7446(12) ? O1 C2 . 1.2109(14) ? O2 C2 . 1.3423(14) ? O2 C3 . 1.4451(14) ? N1 C1 . 1.2975(15) ? N1 N2 . 1.3354(14) ? N2 C10 . 1.4050(14) ? N2 H2 . 0.861(18) ? C1 C2 . 1.4899(16) ? C1 C4 . 1.4905(16) ? C3 H3A . 0.9800 ? C3 H3B . 0.9800 ? C3 H3C . 0.9800 ? C4 C9 . 1.3945(16) ? C4 C5 . 1.3948(16) ? C5 C6 . 1.3914(17) ? C5 H5 . 0.9500 ? C6 C7 . 1.3864(17) ? C6 H6 . 0.9500 ? C7 C8 . 1.3878(17) ? C8 C9 . 1.3872(16) ? C8 H8 . 0.9500 ? C9 H9 . 0.9500 ? C10 C11 . 1.3959(16) ? C10 C15 . 1.3967(16) ? C11 C12 . 1.3876(16) ? C11 H11 . 0.9500 ? C12 C13 . 1.3911(18) ? C12 H12 . 0.9500 ? C13 C14 . 1.3914(17) ? C13 H13 . 0.9500 ? C14 C15 . 1.3897(17) ? C14 H14 . 0.9500 ? C15 H15 . 0.9500 ? 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 C3 H3B N1 5_656 0.98 2.55 3.5099(15) 168 yes C3 H3C Cl1 1_545 0.98 2.82 3.6422(12) 142 yes C6 H6 O1 1_565 0.95 2.40 3.3113(15) 161 yes C15 H15 O1 8_765 0.95 2.40 3.2759(14) 153 yes C14 H14 Cg1 3_556 0. 2.80 3.4792(12) 129 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 C1 N1 N2 C10 . . . . 177.79(10) ? N2 N1 C1 C2 . . . . -179.28(9) ? N2 N1 C1 C4 . . . . -1.64(17) ? C3 O2 C2 O1 . . . . 1.85(16) ? C3 O2 C2 C1 . . . . -177.15(9) ? N1 C1 C2 O1 . . . . 5.92(17) ? C4 C1 C2 O1 . . . . -171.89(11) ? N1 C1 C2 O2 . . . . -175.10(9) ? C4 C1 C2 O2 . . . . 7.09(14) ? N1 C1 C4 C9 . . . . 108.05(14) ? C2 C1 C4 C9 . . . . -74.43(14) ? N1 C1 C4 C5 . . . . -75.13(16) ? C2 C1 C4 C5 . . . . 102.39(13) ? C9 C4 C5 C6 . . . . 1.78(18) ? C1 C4 C5 C6 . . . . -175.04(11) ? C4 C5 C6 C7 . . . . -0.65(18) ? C5 C6 C7 C8 . . . . -1.47(18) ? C5 C6 C7 Cl1 . . . . 176.33(9) ? C6 C7 C8 C9 . . . . 2.39(18) ? Cl1 C7 C8 C9 . . . . -175.45(9) ? C7 C8 C9 C4 . . . . -1.20(18) ? C5 C4 C9 C8 . . . . -0.84(17) ? C1 C4 C9 C8 . . . . 176.03(11) ? N1 N2 C10 C11 . . . . -14.31(16) ? N1 N2 C10 C15 . . . . 165.87(10) ? C15 C10 C11 C12 . . . . -0.95(17) ? N2 C10 C11 C12 . . . . 179.23(10) ? C10 C11 C12 C13 . . . . 1.22(18) ? C11 C12 C13 C14 . . . . -0.27(18) ? C12 C13 C14 C15 . . . . -0.95(18) ? C13 C14 C15 C10 . . . . 1.21(17) ? C11 C10 C15 C14 . . . . -0.25(17) ? N2 C10 C15 C14 . . . . 179.58(10) ?