#------------------------------------------------------------------------------ #$Date: 2023-07-22 03:59:02 +0200 (Sat, 22 Jul 2023) $ #$Revision: 285320 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/28/2022823.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_2022823 loop_ _publ_author_name 'Madhan, S.' 'NizamMohideen, M.' 'Pavunkumar, Vinayagam' 'MohanaKrishnan, Arasambattu K.' _publ_section_title ; Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide ; _journal_coeditor_code ZN2029 _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_paper_doi 10.1107/S2056989023006096 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac 'C22 H16 F N O2 S2' _chemical_formula_moiety 'C22 H16 F N O2 S2' _chemical_formula_sum 'C22 H16 F N O2 S2' _chemical_formula_weight 409.48 _chemical_name_systematic (E)-N-{2-[2-(Benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 90 _cell_angle_beta 96.8530(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.95880(10) _cell_length_b 25.9840(4) _cell_length_c 9.5178(2) _cell_measurement_reflns_used 9457 _cell_measurement_temperature 297(2) _cell_measurement_theta_max 68.61 _cell_measurement_theta_min 3.40 _cell_volume 1954.23(6) _computing_cell_refinement ; SAINT (Bruker, 2016) ; _computing_data_collection ; APEX2 (Bruker, 2016) ; _computing_data_reduction ; SAINT (Bruker, 2016) ; _computing_molecular_graphics ; ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2020) ; _computing_publication_material ; WinGX (Farrugia, 2012), publCIF (Westrip, 2010) and PLATON (Spek, 2020) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015) ; _computing_structure_solution ; SHELXS2018/3 (Sheldrick, 2008) ; _diffrn_ambient_temperature 297(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device_type 'Bruker D8 Venture Diffractometer' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0489 _diffrn_reflns_av_unetI/netI 0.0211 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 44325 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 68.657 _diffrn_reflns_theta_min 3.402 _diffrn_source 'micro focus sealed tube' _exptl_absorpt_coefficient_mu 2.703 _exptl_absorpt_correction_T_max 0.7531 _exptl_absorpt_correction_T_min 0.5894 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2016) ; _exptl_crystal_colour Brown _exptl_crystal_density_diffrn 1.392 _exptl_crystal_description Block _exptl_crystal_F_000 848 _exptl_crystal_size_max 0.150 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.080 _refine_diff_density_max 0.208 _refine_diff_density_min -0.282 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.032 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 272 _refine_ls_number_reflns 3597 _refine_ls_number_restraints 11 _refine_ls_restrained_S_all 1.035 _refine_ls_R_factor_all 0.0525 _refine_ls_R_factor_gt 0.0415 _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^)+(0.0496P)^2^+0.7846P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1032 _refine_ls_wR_factor_ref 0.1152 _reflns_number_gt 2964 _reflns_number_total 3597 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file zn2029sup1.cif _cod_data_source_block I _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 2022823 _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 0.687 _shelx_estimated_absorpt_t_max 0.813 _shelx_hkl_file ; 3 0 0 44.10 2.20 -3 0 0 44.90 2.50 -4 0 0 442.46 16.00 -5 0 0 54.49 3.10 -5 0 0 57.59 4.20 5 0 0 54.19 3.80 5 0 0 64.69 4.30 5 0 0 59.69 3.70 -5 0 0 62.29 4.10 5 0 0 53.79 3.80 6 0 0 97.39 5.40 6 0 0 99.89 5.90 6 0 0 92.39 5.20 6 0 0 85.29 5.80 6 0 0 92.99 5.20 -6 0 0 91.49 4.70 -6 0 0 90.89 5.90 7 0 0 21.30 2.50 7 0 0 16.00 2.50 7 0 0 19.30 2.50 7 0 0 22.10 3.20 -7 0 0 19.90 2.30 7 0 0 16.60 2.50 7 0 0 18.60 2.40 -7 0 0 12.30 3.90 7 0 0 14.40 2.70 -7 0 0 20.90 3.10 8 0 0 19.90 2.40 -8 0 0 33.50 3.40 8 0 0 31.50 3.50 8 0 0 27.00 2.60 -8 0 0 34.80 5.50 8 0 0 25.30 2.60 8 0 0 26.50 3.00 -9 0 0 19.50 2.60 9 0 0 21.30 1.90 9 0 0 16.20 2.10 9 0 0 25.60 2.70 9 0 0 18.30 2.10 0 -1 0 0.50 0.40 -1 -1 0 2.90 0.50 1 -1 0 2.50 0.30 -1 1 0 3.60 0.30 1 1 0 3.20 0.50 2 -1 0 132.99 4.80 -2 -1 0 130.19 5.00 2 1 0 129.19 5.00 -2 1 0 131.99 4.80 2 1 0 136.19 4.70 2 1 0 131.29 4.90 -3 -1 0 177.98 7.10 3 -1 0 181.38 6.60 3 1 0 179.28 6.00 3 1 0 180.78 6.00 3 1 0 180.08 6.80 -3 1 0 186.68 6.90 -4 -1 0 184.68 7.70 -4 -1 0 174.08 6.90 4 1 0 176.18 7.00 -4 1 0 183.98 7.50 5 -1 0 77.29 5.70 -5 -1 0 69.19 4.50 5 -1 0 67.29 4.00 5 -1 0 59.39 4.00 5 -1 0 64.49 4.10 -5 -1 0 65.09 3.50 5 -1 0 64.89 4.40 -5 -1 0 71.89 4.60 -5 1 0 62.99 3.40 -5 1 0 70.09 4.60 5 1 0 59.99 3.80 5 1 0 63.09 4.40 6 -1 0 2.30 1.10 6 -1 0 2.60 1.20 -6 -1 0 0.80 1.70 6 -1 0 -0.30 1.30 -6 -1 0 1.00 1.00 6 -1 0 1.10 1.10 -6 -1 0 1.20 1.00 6 -1 0 1.10 0.90 6 -1 0 1.20 1.10 6 -1 0 2.30 1.60 6 1 0 1.80 1.00 6 1 0 -0.30 0.80 -6 1 0 1.80 1.00 -6 1 0 0.90 1.00 6 1 0 -0.20 1.50 6 1 0 0.50 0.90 -6 1 0 1.00 2.60 6 1 0 0.70 1.40 6 1 0 0.90 1.40 7 -1 0 -0.90 1.10 7 -1 0 1.00 1.20 7 -1 0 1.90 1.20 7 -1 0 -2.10 1.50 7 -1 0 0.10 1.00 7 -1 0 -0.80 1.30 -7 -1 0 0.90 0.90 -7 -1 0 2.20 1.30 -7 -1 0 -0.80 2.70 7 -1 0 0.50 1.20 -7 1 0 -2.10 1.10 7 1 0 1.40 1.20 -7 1 0 1.30 0.90 7 1 0 1.20 1.30 7 1 0 -0.70 1.00 7 1 0 1.00 1.00 7 1 0 -1.00 1.40 7 1 0 -1.10 1.00 -7 1 0 0.50 1.20 -7 1 0 -0.20 3.40 7 1 0 2.80 1.40 -8 -1 0 1.10 1.20 8 -1 0 0.70 1.20 8 -1 0 0.20 0.80 8 -1 0 0.90 1.10 8 -1 0 0.60 1.00 8 -1 0 2.60 1.50 -8 -1 0 3.00 2.60 8 1 0 -0.30 1.00 8 1 0 1.50 1.20 8 1 0 -0.10 0.80 8 1 0 1.30 1.10 -8 1 0 -0.80 1.70 8 1 0 0.90 1.00 -8 1 0 0.40 1.70 9 -1 0 1.00 1.00 -9 -1 0 1.20 1.50 9 -1 0 -0.60 0.90 9 -1 0 0.60 0.90 9 -1 0 1.10 1.00 -9 -1 0 0.00 0.80 9 -1 0 -0.40 0.90 9 -1 0 0.30 0.70 9 1 0 0.50 0.90 9 1 0 2.50 1.30 9 1 0 0.30 0.60 -9 1 0 -0.40 1.10 9 1 0 0.80 1.10 9 1 0 -2.10 1.00 -9 1 0 -0.70 0.80 9 1 0 1.20 1.00 0 -2 0 1708.23 55.09 -1 -2 0 548.25 18.00 1 -2 0 535.35 17.60 1 2 0 555.34 17.90 2 -2 0 1098.49 35.90 -2 2 0 1128.89 36.00 -3 -2 0 332.47 12.40 3 -2 0 345.37 11.60 -3 2 0 334.97 12.00 3 2 0 353.06 12.30 3 2 0 347.77 11.60 3 2 0 344.07 12.10 -4 -2 0 203.58 8.60 -4 -2 0 197.68 7.60 -4 -2 0 200.78 8.40 4 2 0 197.18 7.80 -4 2 0 199.08 8.10 5 -2 0 3.20 1.10 5 -2 0 3.10 1.30 5 -2 0 2.40 1.20 -5 -2 0 3.00 1.20 5 -2 0 3.60 1.30 5 -2 0 6.20 1.70 5 -2 0 5.40 1.30 -5 -2 0 3.20 0.90 5 2 0 4.00 1.40 5 2 0 4.00 1.80 -5 2 0 4.40 0.90 5 2 0 5.30 1.40 6 -2 0 19.90 2.20 6 -2 0 21.90 2.40 6 -2 0 23.70 3.00 -6 -2 0 20.50 2.90 -6 -2 0 18.50 2.10 6 -2 0 18.90 2.30 -6 -2 0 17.30 3.10 6 -2 0 20.80 2.50 6 -2 0 15.70 2.30 6 -2 0 18.70 2.90 6 -2 0 18.00 2.80 6 2 0 18.80 2.30 6 2 0 16.80 2.20 6 2 0 19.30 2.80 6 2 0 17.10 2.30 -6 2 0 17.40 2.00 6 2 0 21.10 2.90 -6 2 0 19.10 2.80 6 2 0 18.80 3.10 7 -2 0 15.10 2.50 7 -2 0 14.60 2.40 7 -2 0 13.80 2.60 -7 -2 0 21.60 4.00 7 -2 0 20.20 2.30 7 -2 0 16.40 2.30 -7 -2 0 17.50 3.00 7 -2 0 20.30 3.20 7 -2 0 16.20 2.60 -7 -2 0 20.20 2.30 -7 2 0 16.90 2.80 7 2 0 14.90 2.30 -7 2 0 17.00 2.10 7 2 0 21.40 3.10 7 2 0 16.30 2.30 7 2 0 16.10 2.30 7 2 0 14.60 2.40 7 2 0 21.60 3.10 -7 2 0 18.10 3.30 8 -2 0 2.00 1.10 -8 -2 0 4.40 1.90 8 -2 0 1.30 1.10 8 -2 0 1.70 1.00 8 -2 0 3.30 1.40 8 -2 0 2.90 1.70 8 -2 0 3.60 1.60 -8 -2 0 2.60 2.00 8 2 0 1.20 1.10 8 2 0 3.70 1.30 8 2 0 2.20 1.50 -8 2 0 2.30 1.70 -8 2 0 2.60 1.70 8 2 0 2.50 1.00 8 2 0 2.60 1.20 9 -2 0 -0.40 0.80 9 -2 0 1.00 1.00 -9 -2 0 2.20 1.00 9 -2 0 1.50 1.00 -9 -2 0 0.80 1.70 9 -2 0 2.20 1.20 9 -2 0 0.70 0.80 9 -2 0 -0.30 1.00 9 2 0 -0.80 1.20 9 2 0 1.10 1.10 9 2 0 2.10 1.10 -9 2 0 1.40 1.10 9 2 0 0.10 0.90 -9 2 0 2.20 1.30 9 2 0 0.30 0.70 0 -3 0 -0.20 0.10 0 -3 0 0.10 0.20 0 -3 0 0.00 0.10 0 3 0 0.00 0.10 0 3 0 0.10 0.20 -1 -3 0 15.40 1.10 -1 -3 0 16.10 1.10 1 3 0 16.60 1.00 1 3 0 13.00 1.20 -2 -3 0 142.29 5.60 2 -3 0 140.69 4.80 2 3 0 143.49 5.20 2 3 0 136.99 5.30 -2 3 0 123.39 5.10 -3 -3 0 271.87 10.20 3 -3 0 257.67 9.20 -3 -3 0 278.27 10.40 3 3 0 273.77 9.40 -3 3 0 255.27 9.50 3 3 0 276.27 9.90 3 3 0 278.57 9.90 -4 -3 0 12.80 1.90 -4 -3 0 12.70 1.50 -4 3 0 10.90 1.70 4 3 0 12.20 1.50 5 -3 0 40.80 3.20 -5 -3 0 50.29 3.90 -5 -3 0 47.10 4.00 5 -3 0 43.90 3.30 5 -3 0 54.89 3.50 5 -3 0 50.09 3.50 -5 -3 0 45.80 3.20 5 -3 0 43.70 3.30 5 -3 0 45.60 3.30 -5 3 0 51.59 3.90 5 3 0 44.90 3.60 -5 3 0 43.00 2.70 5 3 0 45.50 3.20 5 3 0 50.49 4.10 -6 -3 0 0.60 1.00 -6 -3 0 1.20 0.90 -6 -3 0 -0.70 1.60 6 -3 0 0.40 1.30 6 -3 0 0.30 1.00 6 -3 0 1.40 1.20 6 -3 0 2.30 1.00 6 -3 0 0.20 1.00 6 -3 0 1.50 1.70 6 -3 0 0.50 1.20 6 -3 0 0.20 1.00 -6 3 0 1.40 1.00 -6 3 0 1.20 0.90 6 3 0 1.60 1.30 6 3 0 -0.20 1.50 -6 3 0 -3.40 1.70 6 3 0 0.50 0.80 6 3 0 0.20 1.20 6 3 0 0.10 1.00 6 3 0 2.70 1.00 7 -3 0 6.90 1.80 7 -3 0 9.00 2.00 7 -3 0 8.70 2.00 -7 -3 0 5.90 2.00 7 -3 0 8.40 1.80 7 -3 0 10.00 2.40 -7 -3 0 9.20 2.90 7 -3 0 3.20 1.90 7 -3 0 5.50 1.60 -7 -3 0 6.90 1.60 -7 3 0 9.50 2.40 7 3 0 6.60 2.10 7 3 0 6.10 1.70 7 3 0 8.20 1.70 7 3 0 8.60 1.80 7 3 0 8.20 2.30 -7 3 0 7.70 1.70 -7 3 0 6.70 1.50 8 -3 0 -0.50 0.90 8 -3 0 0.40 1.00 8 -3 0 0.10 0.80 8 -3 0 0.80 1.20 8 -3 0 0.40 1.00 8 -3 0 0.30 0.70 8 3 0 -0.90 1.00 8 3 0 0.60 1.10 -8 3 0 -1.10 1.30 8 3 0 0.20 1.10 8 3 0 0.40 1.00 8 3 0 0.90 0.90 9 -3 0 1.50 0.90 9 -3 0 0.90 0.80 -9 -3 0 1.20 1.10 9 -3 0 1.50 1.00 9 -3 0 2.30 1.10 9 -3 0 1.50 1.00 9 -3 0 1.60 0.90 -9 3 0 -1.40 1.40 9 3 0 2.80 1.30 -9 3 0 1.50 1.60 9 3 0 0.00 1.40 9 3 0 0.40 0.60 9 3 0 0.70 0.90 9 3 0 1.60 1.10 -1 -4 0 372.56 12.60 -1 -4 0 373.06 12.70 1 4 0 361.26 12.50 1 4 0 383.86 12.60 -2 -4 0 605.14 20.10 -2 -4 0 589.84 19.90 -2 4 0 557.64 19.10 2 4 0 593.64 19.60 2 4 0 584.54 19.70 -3 -4 0 1.10 0.70 3 4 0 0.20 0.40 3 4 0 1.60 0.50 3 4 0 0.70 0.50 -4 -4 0 13.60 2.00 -4 -4 0 12.30 1.40 -4 -4 0 11.40 2.00 4 4 0 11.20 1.10 4 4 0 9.90 1.40 -4 4 0 12.70 1.80 5 -4 0 -2.40 1.30 5 -4 0 0.30 0.90 5 -4 0 -1.30 1.00 -5 -4 0 0.90 1.20 -5 -4 0 0.30 0.60 5 -4 0 -0.20 1.00 5 -4 0 0.60 0.90 -5 -4 0 0.40 0.90 -5 4 0 -0.90 0.60 5 4 0 -0.70 1.10 -5 4 0 1.50 1.30 5 4 0 -1.10 1.00 5 4 0 0.40 0.80 5 4 0 0.10 1.30 6 -4 0 46.60 3.70 -6 -4 0 43.10 4.70 6 -4 0 48.30 3.80 -6 -4 0 43.90 3.10 6 -4 0 35.30 4.10 6 -4 0 49.10 3.70 -6 -4 0 44.50 4.20 6 -4 0 42.60 3.60 6 -4 0 46.00 3.50 6 -4 0 51.09 4.10 6 4 0 39.90 3.60 -6 4 0 44.70 3.80 6 4 0 47.10 3.40 6 4 0 46.90 4.10 6 4 0 49.40 4.50 6 4 0 38.10 3.40 6 4 0 46.50 3.30 -6 4 0 48.20 3.10 7 -4 0 15.50 2.40 -7 -4 0 11.50 2.40 7 -4 0 18.20 2.20 7 -4 0 15.90 2.20 7 -4 0 17.50 3.00 7 -4 0 10.40 2.70 7 -4 0 16.40 2.60 -7 -4 0 18.50 2.30 -7 -4 0 15.60 3.60 7 -4 0 16.50 2.50 -7 4 0 12.70 2.00 7 4 0 11.10 2.10 -7 4 0 16.20 2.90 7 4 0 12.30 2.60 7 4 0 14.60 2.80 8 -4 0 31.90 3.40 8 -4 0 24.10 2.50 -8 -4 0 29.20 5.00 8 -4 0 30.00 2.70 8 -4 0 27.30 2.90 8 -4 0 26.20 3.30 8 -4 0 26.70 2.90 -8 -4 0 25.00 3.70 8 4 0 27.90 3.30 8 4 0 28.60 2.60 8 4 0 29.40 2.50 -8 4 0 25.90 3.10 8 4 0 22.90 2.60 -8 4 0 29.70 2.80 8 4 0 23.70 2.80 9 -4 0 14.60 2.10 9 -4 0 8.50 1.40 9 -4 0 10.50 1.40 -9 -4 0 8.20 1.80 9 -4 0 12.50 2.00 9 -4 0 10.70 1.80 -9 -4 0 12.80 2.50 9 -4 0 11.70 1.80 9 4 0 14.50 1.50 -9 4 0 13.90 2.40 -9 4 0 17.00 4.10 9 4 0 11.40 2.00 9 4 0 8.10 1.30 9 4 0 12.40 2.10 0 -5 0 -0.20 0.20 0 5 0 -0.20 0.20 0 5 0 -0.10 0.30 -1 -5 0 88.29 3.80 -1 -5 0 92.09 3.70 1 -5 0 94.89 3.20 1 5 0 89.69 3.60 1 5 0 92.59 3.70 -1 5 0 90.69 3.20 -2 -5 0 87.29 4.00 -2 -5 0 84.69 3.90 2 5 0 91.29 3.80 -2 5 0 79.79 3.10 2 5 0 85.69 3.60 2 5 0 86.49 3.80 -3 -5 0 0.00 0.70 -3 -5 0 0.60 0.60 3 5 0 0.50 0.40 3 5 0 0.20 0.40 3 5 0 -0.20 0.50 -3 5 0 0.00 0.50 -4 -5 0 62.89 3.30 4 -5 0 69.09 3.90 -4 -5 0 69.39 4.30 -4 -5 0 66.49 4.30 4 5 0 64.59 3.60 4 5 0 65.49 3.10 5 -5 0 7.60 1.70 5 -5 0 3.60 1.30 5 -5 0 7.00 1.70 5 -5 0 6.80 1.60 -5 -5 0 8.20 2.10 5 -5 0 7.40 1.70 -5 -5 0 6.00 1.20 5 5 0 3.60 1.10 -5 5 0 7.20 1.60 5 5 0 6.30 1.60 -5 5 0 6.70 1.20 -6 -5 0 2.10 1.00 6 -5 0 4.00 2.10 -6 -5 0 1.90 1.10 6 -5 0 1.80 1.10 6 -5 0 2.70 2.10 -6 -5 0 2.40 1.70 -6 5 0 1.40 1.00 6 5 0 2.80 1.70 6 5 0 1.80 1.00 6 5 0 0.80 1.20 6 5 0 -0.40 1.20 -6 5 0 0.60 0.90 6 5 0 2.10 1.20 -7 -5 0 59.69 5.20 7 -5 0 69.09 5.10 -7 -5 0 72.09 4.30 7 -5 0 69.69 4.60 7 -5 0 68.79 4.50 7 -5 0 65.79 4.60 7 -5 0 65.39 5.00 7 -5 0 65.99 4.40 -7 -5 0 48.80 5.90 7 -5 0 66.19 4.70 -7 5 0 63.09 4.80 7 5 0 61.59 5.00 7 5 0 58.29 4.20 -7 5 0 56.39 4.80 -7 5 0 64.69 4.00 7 5 0 58.09 4.00 -8 -5 0 3.50 1.40 8 -5 0 4.30 1.50 -8 -5 0 2.80 1.50 8 -5 0 3.60 1.20 8 -5 0 3.80 1.50 8 -5 0 3.70 1.60 8 -5 0 2.30 1.40 8 -5 0 3.90 1.20 8 5 0 3.00 1.50 -8 5 0 0.60 1.50 -8 5 0 1.90 1.20 8 5 0 3.20 2.40 8 5 0 1.00 1.10 8 5 0 2.40 1.10 8 5 0 2.70 1.10 9 -5 0 0.70 0.90 9 -5 0 0.90 0.80 9 -5 0 1.10 1.10 9 -5 0 2.00 0.80 9 -5 0 1.50 0.90 -9 -5 0 1.00 1.00 -9 -5 0 1.60 1.10 9 -5 0 -0.40 0.60 9 5 0 1.00 0.70 9 5 0 -1.00 1.20 9 5 0 -0.80 0.90 -9 5 0 0.70 0.90 0 -6 0 3674.93 119.09 1 -6 0 1720.43 55.29 1 -6 0 1702.13 55.29 -1 -6 0 1633.04 56.39 -2 -6 0 613.54 20.30 -2 -6 0 618.24 20.50 2 6 0 597.64 20.20 2 6 0 582.34 19.90 -2 6 0 551.44 19.40 2 6 0 597.04 20.10 -3 -6 0 15.20 1.80 -3 6 0 12.10 1.20 3 6 0 14.80 1.30 3 6 0 13.90 1.50 3 6 0 17.80 1.60 -4 -6 0 281.27 10.70 -4 -6 0 294.87 12.00 -4 -6 0 294.57 12.20 4 6 0 295.37 10.60 4 6 0 293.87 11.50 4 6 0 298.97 11.20 -4 6 0 288.57 10.90 4 6 0 280.37 11.20 -5 -6 0 259.87 11.90 -5 -6 0 261.97 10.20 -5 -6 0 261.47 11.80 5 -6 0 267.37 10.90 5 -6 0 267.57 11.10 5 -6 0 262.97 10.90 5 -6 0 288.17 12.10 5 -6 0 265.47 11.00 5 -6 0 256.87 11.00 5 6 0 270.67 10.40 -5 6 0 243.48 9.80 5 6 0 258.37 11.30 5 6 0 277.77 12.30 5 6 0 251.27 10.70 -6 -6 0 440.86 19.00 6 -6 0 474.25 17.90 6 -6 0 496.95 17.90 -6 -6 0 457.95 17.00 6 -6 0 454.55 18.00 -6 -6 0 459.75 19.20 6 -6 0 493.65 18.50 6 -6 0 471.15 17.70 -6 6 0 452.25 16.70 6 6 0 422.56 16.90 6 6 0 429.46 16.90 -6 6 0 470.45 17.80 6 6 0 451.45 17.10 6 6 0 523.35 23.60 6 6 0 428.36 17.00 6 6 0 486.35 21.80 7 -6 0 50.99 4.50 -7 -6 0 46.80 4.50 7 -6 0 49.40 3.70 -7 -6 0 42.70 5.60 7 -6 0 50.99 4.30 -7 -6 0 54.49 3.70 7 -6 0 53.49 3.90 7 -6 0 51.19 4.00 7 -6 0 48.30 4.60 7 -6 0 45.10 3.90 7 -6 0 51.39 4.00 -7 6 0 44.30 4.20 -7 6 0 49.20 4.10 7 6 0 43.40 3.40 7 6 0 41.40 3.70 7 6 0 47.20 4.40 -7 6 0 47.00 3.40 -8 -6 0 22.70 3.20 8 -6 0 18.20 2.20 8 -6 0 19.20 2.20 8 -6 0 21.20 3.00 8 -6 0 22.90 2.90 -8 -6 0 24.30 2.60 8 -6 0 22.50 2.70 8 -6 0 26.00 2.80 -8 6 0 24.30 2.50 8 6 0 15.80 2.30 8 6 0 15.70 2.70 -8 6 0 18.90 2.90 8 6 0 18.80 2.10 9 -6 0 15.00 1.90 9 -6 0 14.80 1.70 9 -6 0 18.10 2.30 9 -6 0 19.60 2.40 -9 -6 0 18.50 2.10 9 -6 0 13.00 1.50 -9 -6 0 19.50 2.40 9 -6 0 17.10 2.00 9 6 0 22.00 2.60 -9 6 0 17.50 2.00 9 6 0 15.40 1.60 0 -7 0 1.30 0.40 0 -7 0 0.60 0.30 0 7 0 0.00 0.30 -1 -7 0 140.59 5.70 -1 -7 0 155.48 5.70 1 -7 0 139.49 5.00 1 7 0 146.29 5.60 -1 7 0 149.69 5.30 1 7 0 140.79 5.60 -1 7 0 143.09 5.20 -2 -7 0 41.50 2.60 -2 -7 0 45.80 2.60 2 7 0 39.30 2.40 -2 7 0 38.50 1.80 2 7 0 41.40 2.40 -3 -7 0 0.00 0.60 -3 -7 0 1.00 0.80 3 7 0 0.50 0.60 -3 7 0 1.50 0.60 3 7 0 1.00 0.70 3 7 0 0.20 0.50 -4 -7 0 7.30 1.60 -4 -7 0 7.60 1.30 -4 -7 0 5.70 1.50 4 7 0 8.60 1.60 4 7 0 5.80 1.20 4 7 0 8.00 1.30 4 7 0 8.90 1.50 -4 7 0 10.30 1.90 5 -7 0 10.30 2.00 5 -7 0 8.30 1.90 -5 -7 0 7.50 1.90 5 -7 0 11.10 2.10 5 -7 0 15.20 2.20 5 -7 0 11.30 1.70 -5 -7 0 6.90 2.50 -5 -7 0 12.20 1.60 5 -7 0 12.20 1.90 5 7 0 9.90 1.70 5 7 0 9.40 1.70 5 7 0 9.30 1.60 5 7 0 10.30 0.80 5 7 0 9.60 2.00 5 7 0 11.90 2.70 6 -7 0 41.90 4.20 -6 -7 0 35.00 4.00 6 -7 0 38.20 3.30 6 -7 0 38.20 4.00 6 -7 0 43.00 3.40 6 -7 0 44.10 3.50 6 -7 0 41.50 3.60 -6 -7 0 43.30 4.60 6 -7 0 38.40 3.50 -6 -7 0 41.40 3.10 6 -7 0 41.30 3.60 -6 7 0 38.20 3.70 -6 7 0 37.10 2.90 6 7 0 44.20 4.30 6 7 0 41.70 3.90 6 7 0 32.70 4.00 6 7 0 34.40 2.90 6 7 0 41.00 3.60 7 -7 0 12.50 2.50 -7 -7 0 14.20 2.00 7 -7 0 13.70 2.10 7 -7 0 12.70 2.10 7 -7 0 10.90 2.20 -7 -7 0 9.00 2.20 -7 -7 0 7.60 2.10 7 -7 0 12.30 2.40 -7 -7 0 7.50 2.60 7 -7 0 10.70 2.20 7 -7 0 8.20 2.30 7 -7 0 13.30 2.70 7 7 0 8.10 1.80 -7 7 0 13.20 2.00 -7 7 0 8.10 1.90 7 7 0 9.10 2.20 -7 7 0 12.30 2.50 8 -7 0 3.70 1.30 8 -7 0 2.60 1.20 8 -7 0 4.30 1.30 8 -7 0 1.80 1.20 -8 -7 0 3.50 1.60 8 -7 0 5.00 1.30 -8 -7 0 4.80 1.40 8 -7 0 4.20 1.50 -8 7 0 -0.90 2.10 8 7 0 3.40 1.30 -8 7 0 5.40 1.40 8 7 0 3.00 1.50 9 -7 0 1.40 0.70 9 -7 0 2.80 0.90 9 -7 0 3.50 1.10 -9 -7 0 2.70 1.20 9 -7 0 3.70 0.90 9 -7 0 3.10 1.20 9 -7 0 2.40 1.20 -9 -7 0 3.00 1.40 9 7 0 2.40 0.80 9 7 0 1.80 0.90 -9 7 0 3.40 1.00 9 7 0 1.40 1.00 0 -8 0 129.39 5.00 0 -8 0 134.09 4.70 0 -8 0 129.59 4.70 0 8 0 134.59 5.10 0 8 0 137.59 5.20 -1 -8 0 9.40 1.10 1 -8 0 9.50 0.70 -1 -8 0 12.20 1.20 -1 8 0 10.90 0.90 -1 8 0 10.80 0.90 1 8 0 11.40 1.20 1 8 0 13.40 1.20 -2 -8 0 616.94 21.70 -2 -8 0 622.44 21.70 2 8 0 608.04 21.10 2 8 0 628.94 21.30 2 8 0 644.34 21.50 -3 -8 0 423.06 15.70 -3 -8 0 471.75 16.80 -3 -8 0 475.25 17.00 3 8 0 475.45 16.10 3 8 0 450.25 16.40 3 8 0 429.86 16.30 3 8 0 455.95 16.00 -4 -8 0 5.60 1.10 -4 -8 0 6.30 1.60 -4 -8 0 6.60 1.30 -4 -8 0 5.90 1.50 4 8 0 7.00 1.30 4 8 0 8.40 1.40 -4 8 0 8.60 1.70 4 8 0 9.40 1.30 4 8 0 8.00 1.40 -5 -8 0 110.79 7.00 5 -8 0 128.29 6.60 5 -8 0 138.69 7.30 5 -8 0 129.39 6.40 5 -8 0 131.29 6.60 -5 -8 0 123.79 7.30 5 -8 0 124.99 6.60 5 -8 0 137.19 6.60 5 -8 0 132.69 6.80 -5 -8 0 121.89 5.70 -5 -8 0 126.89 7.40 5 8 0 127.49 6.50 5 8 0 137.09 7.00 -5 8 0 116.39 5.40 5 8 0 123.39 6.00 5 8 0 128.89 4.90 5 8 0 112.69 6.10 5 8 0 123.19 6.10 5 8 0 127.89 7.60 6 -8 0 88.19 5.20 6 -8 0 90.29 5.40 -6 -8 0 83.89 6.40 6 -8 0 90.79 5.20 6 -8 0 86.69 5.30 -6 -8 0 86.69 4.80 6 -8 0 81.89 6.30 6 -8 0 87.49 5.30 6 -8 0 84.99 5.40 6 -8 0 94.49 6.10 -6 -8 0 81.79 6.10 6 8 0 70.49 4.60 6 8 0 76.49 4.90 6 8 0 85.39 6.20 6 8 0 87.69 5.70 -6 8 0 77.59 4.50 -6 8 0 76.79 5.20 7 -8 0 5.70 1.70 7 -8 0 5.10 1.70 7 -8 0 4.30 1.50 -7 -8 0 4.20 1.60 7 -8 0 4.40 1.70 -7 -8 0 5.70 1.30 -7 -8 0 4.20 1.60 7 -8 0 3.80 3.00 7 -8 0 5.30 1.40 -7 -8 0 3.10 2.50 7 -8 0 6.20 1.80 7 -8 0 3.90 1.60 7 8 0 8.00 2.00 -7 8 0 5.90 1.40 -7 8 0 0.80 1.70 8 -8 0 0.00 1.10 -8 -8 0 0.10 1.30 8 -8 0 -0.60 0.80 -8 -8 0 0.70 1.20 8 -8 0 -0.30 0.80 8 -8 0 0.00 1.00 8 -8 0 0.20 0.80 8 -8 0 0.80 0.90 -8 8 0 0.50 1.00 8 8 0 0.00 1.00 8 8 0 0.10 0.80 9 -8 0 0.30 0.60 -9 -8 0 0.90 1.10 9 -8 0 0.30 0.70 -9 -8 0 0.90 1.10 9 -8 0 1.30 1.10 9 -8 0 0.60 0.70 9 -8 0 0.00 0.90 9 -8 0 -0.10 0.90 9 8 0 -0.90 1.10 -9 8 0 3.20 1.10 9 8 0 0.00 0.70 9 8 0 0.70 0.60 0 -9 0 0.00 0.20 0 -9 0 0.20 0.30 0 -9 0 0.60 0.30 0 9 0 -0.10 0.20 0 9 0 0.10 0.40 0 9 0 0.00 0.40 -1 -9 0 68.09 3.20 -1 -9 0 64.89 3.30 1 -9 0 65.19 2.70 1 9 0 64.49 3.10 1 9 0 70.09 3.30 1 9 0 74.59 3.40 -1 9 0 65.19 3.00 -1 9 0 71.49 3.00 -2 -9 0 106.99 5.10 -2 -9 0 118.19 5.10 2 9 0 107.59 4.90 -2 9 0 100.79 4.30 2 9 0 117.89 5.00 2 9 0 110.59 4.70 -3 -9 0 69.89 4.00 -3 -9 0 59.99 3.50 -3 -9 0 63.99 4.00 -3 -9 0 57.19 3.20 3 9 0 52.89 3.00 -3 9 0 60.69 3.10 3 9 0 61.89 3.60 3 9 0 61.29 3.60 3 9 0 65.69 3.30 3 9 0 62.69 3.50 -4 -9 0 114.29 5.30 -4 -9 0 121.99 6.70 -4 -9 0 124.49 6.70 4 -9 0 119.89 6.50 4 -9 0 119.39 6.00 4 -9 0 103.79 6.30 4 -9 0 128.39 6.60 -4 -9 0 109.19 5.30 4 -9 0 122.39 6.30 4 9 0 126.49 6.10 4 9 0 124.49 5.70 4 9 0 122.99 7.20 4 9 0 139.49 5.70 4 9 0 123.29 5.70 4 9 0 120.19 5.90 5 -9 0 104.79 6.00 5 -9 0 108.89 5.90 -5 -9 0 103.39 6.70 5 -9 0 118.09 5.90 -5 -9 0 104.29 5.20 5 -9 0 103.39 5.90 5 -9 0 111.69 6.00 5 -9 0 109.99 6.50 -5 -9 0 116.09 7.00 5 -9 0 104.59 5.80 5 9 0 110.79 5.90 -5 9 0 96.89 5.50 5 9 0 101.19 6.10 5 9 0 113.59 7.00 5 9 0 109.89 5.50 -5 9 0 99.49 4.90 5 9 0 107.69 5.60 5 9 0 109.79 4.60 5 9 0 92.09 5.40 6 -9 0 7.20 2.00 6 -9 0 7.60 1.70 6 -9 0 6.90 1.90 -6 -9 0 4.30 1.80 6 -9 0 7.50 1.80 6 -9 0 6.50 1.60 -6 -9 0 7.10 2.20 6 -9 0 7.00 1.80 6 -9 0 8.30 2.00 6 -9 0 7.20 2.00 6 9 0 7.00 1.90 6 9 0 6.50 1.50 -6 9 0 7.10 1.60 -6 9 0 8.90 2.20 6 9 0 2.00 1.90 7 -9 0 -1.10 1.40 -7 -9 0 1.10 1.40 -7 -9 0 -2.00 2.90 -7 -9 0 1.70 1.10 7 -9 0 0.50 2.00 -7 -9 0 -0.90 1.50 7 -9 0 0.80 1.10 -7 9 0 -0.50 0.90 8 -9 0 17.00 2.50 -8 -9 0 17.90 2.70 8 -9 0 20.90 2.50 8 -9 0 22.50 3.00 8 -9 0 16.20 2.00 8 -9 0 13.60 2.10 -8 -9 0 20.50 2.30 8 -9 0 16.10 2.50 -8 9 0 17.30 2.20 8 9 0 19.80 2.70 8 9 0 15.70 2.20 -9 -9 0 5.10 1.20 9 -9 0 5.20 1.00 9 -9 0 6.60 1.20 9 -9 0 7.90 1.40 9 -9 0 5.90 1.20 9 -9 0 6.30 1.30 9 9 0 3.40 0.70 9 9 0 5.10 2.20 -9 9 0 10.00 1.70 0 -10 0 31.30 1.90 0 -10 0 32.50 1.20 0 10 0 30.80 1.90 0 10 0 34.90 2.10 0 10 0 34.90 2.00 -1 -10 0 474.05 16.50 -1 -10 0 480.25 16.80 1 -10 0 452.95 15.90 1 10 0 473.15 16.50 -1 10 0 481.95 16.30 1 10 0 492.45 16.80 -1 10 0 510.65 16.40 -2 -10 0 71.99 3.80 -2 -10 0 69.99 3.90 2 10 0 64.99 3.30 2 10 0 67.49 3.60 2 10 0 65.79 3.60 -3 -10 0 94.79 5.10 -3 -10 0 90.39 4.50 -3 -10 0 80.79 3.90 -3 -10 0 81.89 4.70 3 10 0 88.89 4.50 3 10 0 84.09 4.60 3 10 0 86.99 4.60 3 10 0 86.59 4.20 -3 10 0 87.49 4.00 3 10 0 84.59 4.30 4 -10 0 13.50 2.30 -4 -10 0 12.80 2.40 4 -10 0 12.90 2.30 -4 -10 0 10.80 1.50 4 -10 0 10.50 1.90 4 -10 0 13.70 2.00 4 -10 0 18.00 2.20 -4 -10 0 10.00 2.00 4 -10 0 13.30 2.10 -4 -10 0 11.60 1.70 4 10 0 12.40 1.90 4 10 0 12.90 1.80 4 10 0 13.50 2.10 4 10 0 12.60 2.60 4 10 0 9.80 1.60 4 10 0 14.00 1.80 -4 10 0 8.20 1.90 4 10 0 12.70 1.90 -5 -10 0 120.39 5.80 5 -10 0 130.59 6.80 5 -10 0 133.09 7.40 -5 -10 0 115.19 7.30 5 -10 0 130.79 6.60 5 -10 0 124.89 6.40 -5 -10 0 117.39 6.60 5 -10 0 118.59 6.50 -5 -10 0 125.69 7.60 5 -10 0 122.29 6.60 5 -10 0 116.69 6.40 5 10 0 118.89 6.20 5 10 0 122.69 6.90 5 10 0 123.49 5.40 5 10 0 129.19 7.00 5 10 0 119.09 6.00 5 10 0 135.99 7.90 -6 -10 0 261.77 17.20 -6 -10 0 284.27 12.30 6 -10 0 291.77 13.40 -6 -10 0 299.97 11.60 6 -10 0 301.87 13.10 6 -10 0 271.27 12.10 6 -10 0 294.27 12.40 6 -10 0 281.47 12.30 6 -10 0 292.87 12.60 6 -10 0 290.87 12.40 6 -10 0 287.77 12.20 6 10 0 290.97 11.50 6 10 0 308.67 12.90 6 10 0 278.27 11.70 7 -10 0 34.10 3.70 7 -10 0 38.60 3.30 7 -10 0 36.90 3.40 -7 -10 0 41.50 5.80 7 -10 0 34.70 3.40 7 -10 0 33.20 3.80 -7 -10 0 40.60 4.10 -7 -10 0 29.20 5.00 7 -10 0 38.10 4.00 7 -10 0 37.10 3.40 -7 -10 0 41.00 3.30 -7 10 0 36.30 3.00 7 10 0 36.50 3.80 8 -10 0 18.60 2.20 8 -10 0 16.00 2.00 8 -10 0 22.40 2.60 8 -10 0 18.60 2.60 -8 -10 0 20.00 2.30 -8 -10 0 15.20 2.50 8 -10 0 20.00 2.80 -8 10 0 18.20 2.20 8 10 0 18.90 3.00 9 -10 0 2.90 0.90 9 -10 0 2.90 1.00 9 -10 0 1.50 0.70 9 -10 0 2.20 0.80 9 -10 0 3.20 1.00 -9 -10 0 3.10 1.10 -9 10 0 2.90 1.10 9 10 0 2.10 0.70 0 -11 0 -0.10 0.30 0 11 0 0.20 0.40 0 11 0 0.40 0.40 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2.40 5 -11 0 11.70 2.10 5 11 0 7.20 1.50 5 11 0 12.50 1.90 5 11 0 12.20 2.10 -5 11 0 9.30 1.60 5 11 0 9.90 1.90 5 11 0 12.10 2.40 6 -11 0 14.20 2.60 -6 -11 0 19.40 2.40 6 -11 0 16.00 2.40 6 -11 0 14.70 2.50 -6 -11 0 13.10 2.40 6 -11 0 17.20 2.90 -6 -11 0 10.50 2.40 6 -11 0 16.20 2.70 6 -11 0 17.50 2.70 6 -11 0 20.20 3.00 6 -11 0 15.20 2.50 6 11 0 17.60 2.80 -6 11 0 18.90 2.30 6 11 0 16.90 2.50 6 11 0 12.80 3.50 7 -11 0 4.50 1.60 7 -11 0 5.60 1.70 7 -11 0 7.80 2.00 -7 -11 0 5.90 1.40 -7 -11 0 5.20 4.40 -7 -11 0 7.50 2.20 7 -11 0 4.60 1.70 7 -11 0 6.10 1.70 7 -11 0 4.80 1.50 -7 -11 0 3.20 2.30 7 -11 0 5.50 1.60 -7 -11 0 6.30 2.10 -7 11 0 5.50 1.50 7 11 0 5.70 2.00 8 -11 0 1.20 1.20 8 -11 0 1.00 0.90 8 -11 0 0.60 1.00 -8 -11 0 1.00 1.10 8 -11 0 -1.70 2.20 8 -11 0 0.60 1.10 8 -11 0 0.80 1.40 -8 -11 0 1.40 1.20 8 -11 0 2.20 1.10 -8 11 0 1.80 1.00 8 11 0 -0.20 0.90 0 -12 0 1221.08 42.10 0 12 0 1342.47 42.40 0 12 0 1279.87 42.50 0 12 0 1290.67 42.30 -1 -12 0 481.25 17.10 -1 -12 0 496.75 16.50 1 12 0 486.75 16.80 1 12 0 493.35 17.10 1 12 0 467.75 16.70 1 12 0 455.85 19.20 -1 12 0 478.85 16.70 -1 12 0 476.85 16.80 -1 12 0 493.55 16.70 -2 -12 0 25.40 2.40 -2 -12 0 28.70 2.30 -2 -12 0 27.70 2.20 2 12 0 25.00 2.10 2 12 0 24.70 1.90 -2 12 0 24.30 2.00 2 12 0 28.40 2.30 2 12 0 27.10 2.30 2 12 0 24.10 1.90 -3 -12 0 24.80 2.60 -3 -12 0 26.60 2.70 -3 -12 0 26.30 2.00 -3 -12 0 22.00 2.00 3 12 0 23.90 2.00 3 12 0 21.90 2.20 3 12 0 23.20 1.90 3 12 0 21.40 2.30 3 12 0 24.50 2.40 -4 -12 0 119.49 6.80 -4 -12 0 117.99 7.00 4 -12 0 122.39 6.30 -4 -12 0 127.79 5.80 4 -12 0 121.49 6.50 4 -12 0 118.59 6.30 4 -12 0 122.79 7.00 4 -12 0 120.69 6.60 4 -12 0 116.49 6.10 4 -12 0 119.09 6.90 4 -12 0 115.49 6.60 -4 -12 0 127.99 5.60 4 12 0 123.49 5.90 4 12 0 122.99 6.20 -4 12 0 109.59 5.40 4 12 0 122.59 6.40 4 12 0 119.59 5.90 4 12 0 123.39 5.90 4 12 0 112.89 5.70 4 12 0 123.49 6.20 4 12 0 123.19 5.40 5 -12 0 671.83 23.60 5 -12 0 674.53 27.70 -5 -12 0 600.24 24.00 -5 -12 0 606.54 22.70 5 -12 0 528.45 21.90 5 -12 0 635.04 24.10 -5 -12 0 618.24 23.70 -5 -12 0 593.14 21.40 5 -12 0 591.04 25.90 5 12 0 623.84 22.30 5 12 0 581.04 22.70 -5 12 0 596.74 21.30 5 12 0 587.94 22.70 5 12 0 616.34 21.30 6 -12 0 200.18 9.70 6 -12 0 198.98 10.30 6 -12 0 219.18 10.30 -6 -12 0 190.88 10.70 6 -12 0 200.18 9.40 6 -12 0 196.98 9.50 -6 -12 0 212.48 9.60 6 -12 0 198.78 9.40 6 -12 0 181.18 9.00 6 -12 0 196.58 9.30 -6 -12 0 192.08 9.70 -6 -12 0 169.48 10.00 -6 -12 0 199.58 8.50 6 12 0 195.88 8.60 -6 12 0 192.08 8.40 6 12 0 200.48 9.60 7 -12 0 45.70 3.70 7 -12 0 44.10 3.90 7 -12 0 46.30 3.70 -7 -12 0 47.10 4.20 7 -12 0 45.50 4.00 7 -12 0 52.89 4.10 7 -12 0 49.70 4.50 -7 -12 0 49.90 3.60 7 -12 0 53.39 4.30 -7 -12 0 43.30 4.20 8 -12 0 33.30 3.00 8 -12 0 38.90 3.40 -8 -12 0 25.80 3.60 8 -12 0 36.10 4.60 8 -12 0 41.90 4.00 -8 -12 0 35.90 3.30 8 -12 0 33.10 3.10 -8 12 0 37.80 4.00 8 12 0 33.00 2.50 0 -13 0 0.20 0.60 0 -13 0 0.20 0.40 0 13 0 -0.50 0.50 0 13 0 -0.30 0.50 0 13 0 0.40 0.70 0 13 0 0.00 0.40 1 -13 0 905.91 31.70 -1 -13 0 952.70 32.00 -1 -13 0 949.01 31.20 1 -13 0 879.11 30.80 1 13 0 927.71 32.00 1 13 0 953.30 32.00 -1 13 0 932.41 31.70 1 13 0 972.60 31.70 -1 13 0 958.10 31.70 1 13 0 941.11 31.60 -1 13 0 1005.40 31.60 -2 -13 0 177.78 8.00 -2 -13 0 187.48 7.60 -2 -13 0 171.38 7.50 2 13 0 182.68 7.80 2 13 0 182.78 7.30 2 13 0 175.08 7.80 2 13 0 179.08 7.20 -3 -13 0 46.80 3.50 3 -13 0 47.60 3.40 -3 -13 0 42.60 3.00 -3 -13 0 49.30 3.80 3 -13 0 42.50 3.80 -3 -13 0 45.30 3.50 -3 -13 0 43.40 2.70 3 -13 0 46.10 3.60 3 -13 0 42.40 3.60 3 -13 0 47.00 3.50 3 13 0 41.10 3.30 3 13 0 48.20 3.40 3 13 0 48.40 2.80 -3 13 0 36.90 2.80 3 13 0 44.20 3.40 3 13 0 40.80 2.80 3 13 0 41.80 3.10 3 13 0 45.40 3.10 -4 -13 0 6.50 1.30 -4 -13 0 4.10 1.50 -4 -13 0 6.60 1.40 4 -13 0 8.90 2.10 -4 -13 0 5.00 1.60 4 -13 0 9.50 2.40 4 -13 0 8.80 1.90 4 -13 0 6.00 1.90 -4 -13 0 7.60 1.70 4 -13 0 10.70 2.00 4 -13 0 5.70 1.70 4 -13 0 9.10 2.20 4 -13 0 8.10 2.00 4 13 0 6.70 1.60 4 13 0 4.70 1.30 4 13 0 6.90 1.60 4 13 0 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9.90 1.70 2 15 0 7.70 1.60 2 15 0 11.40 1.50 2 15 0 9.50 2.00 2 15 0 8.40 1.60 3 -15 0 24.50 2.90 -3 -15 0 20.50 2.70 3 -15 0 21.20 2.80 -3 -15 0 24.60 2.70 3 -15 0 21.00 3.10 3 -15 0 26.10 2.90 3 -15 0 22.30 2.50 -3 -15 0 20.40 2.80 3 -15 0 22.40 2.70 3 -15 0 22.20 2.90 -3 -15 0 22.30 2.70 -3 -15 0 24.50 2.30 -3 15 0 19.20 2.10 3 15 0 24.80 2.60 3 15 0 20.50 2.60 3 15 0 23.10 2.10 3 15 0 22.60 2.60 3 15 0 21.30 2.20 3 15 0 24.30 2.70 4 -15 0 0.20 1.00 4 -15 0 -0.10 0.90 -4 -15 0 0.30 1.10 4 -15 0 0.50 1.30 -4 -15 0 -1.40 1.10 4 -15 0 -0.40 1.10 -4 -15 0 0.60 0.80 4 -15 0 0.00 1.10 4 -15 0 0.00 1.20 4 -15 0 0.00 1.10 -4 -15 0 -0.30 1.10 4 -15 0 -1.90 1.30 -4 -15 0 -0.60 1.10 -4 -15 0 -0.60 1.00 4 15 0 -0.20 0.90 4 15 0 -0.20 0.80 4 15 0 0.50 1.00 4 15 0 -1.50 0.80 4 15 0 0.40 1.00 -4 15 0 -0.20 1.10 4 15 0 -0.60 0.90 5 -15 0 16.40 2.70 5 -15 0 18.10 2.70 5 -15 0 19.20 3.10 5 -15 0 22.00 2.60 5 -15 0 23.60 2.80 -5 -15 0 23.20 3.00 -5 -15 0 18.60 3.30 -5 -15 0 15.80 4.10 -5 -15 0 19.10 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24.10 1 18 0 697.63 24.00 -1 18 0 688.53 23.80 2 -18 0 108.79 6.00 -2 -18 0 116.99 6.00 2 -18 0 103.59 5.10 2 -18 0 109.29 6.30 -2 -18 0 106.99 5.70 2 -18 0 106.09 6.50 2 -18 0 110.99 6.50 -2 -18 0 103.99 5.80 2 -18 0 104.99 6.00 -2 -18 0 100.39 6.00 -2 -18 0 101.19 6.00 2 18 0 113.39 5.50 2 18 0 106.19 5.70 2 18 0 109.99 6.20 -2 18 0 106.69 6.10 2 18 0 106.59 6.10 2 18 0 108.89 5.40 2 18 0 112.29 5.80 -2 18 0 102.19 5.30 2 18 0 110.59 6.30 3 -18 0 0.70 1.20 3 -18 0 -0.80 1.50 -3 -18 0 -0.70 1.10 -3 -18 0 0.80 1.00 3 -18 0 -3.90 1.90 -3 -18 0 0.10 1.00 3 -18 0 0.80 1.30 -3 -18 0 -0.50 1.00 -3 -18 0 1.10 1.30 3 -18 0 0.70 1.10 3 18 0 0.10 0.90 3 18 0 0.10 0.90 3 18 0 -0.50 1.00 3 18 0 0.50 1.10 3 18 0 1.10 1.00 -3 18 0 0.40 0.90 -3 18 0 -0.30 1.00 3 18 0 0.20 1.10 3 18 0 -0.80 1.10 4 -18 0 87.29 5.50 4 -18 0 85.59 5.50 -4 -18 0 68.59 6.90 -4 -18 0 67.19 5.20 -4 -18 0 80.19 4.70 -4 -18 0 76.69 5.20 4 -18 0 75.09 5.00 -4 -18 0 80.69 6.10 4 -18 0 84.69 5.90 4 -18 0 79.69 5.40 4 -18 0 76.69 5.50 4 -18 0 77.69 5.80 4 18 0 73.99 4.40 4 18 0 72.59 5.00 4 18 0 73.69 5.10 4 18 0 77.39 5.10 4 18 0 75.59 4.60 -4 18 0 72.29 5.00 5 -18 0 263.17 12.60 5 -18 0 256.27 11.70 -5 -18 0 246.08 11.40 5 -18 0 255.77 11.70 -5 -18 0 275.67 11.80 5 -18 0 260.57 12.00 5 -18 0 249.48 11.60 -5 -18 0 245.48 12.80 5 -18 0 267.97 12.50 5 -18 0 273.17 13.20 5 18 0 240.28 10.40 5 18 0 273.97 11.30 5 18 0 238.68 11.80 5 18 0 240.28 10.60 -5 18 0 274.37 11.00 6 -18 0 53.39 4.30 6 -18 0 59.89 4.40 6 -18 0 60.59 4.60 6 -18 0 62.89 5.00 -6 -18 0 63.19 4.40 6 -18 0 65.49 5.10 -6 -18 0 53.49 4.20 6 -18 0 63.99 4.30 -6 18 0 63.89 4.10 6 18 0 61.79 4.00 7 -18 0 5.90 1.70 7 -18 0 2.60 1.30 7 -18 0 5.50 1.80 -7 -18 0 -0.10 1.40 7 -18 0 5.10 1.30 7 -18 0 5.30 2.00 -7 -18 0 3.50 1.20 7 -18 0 2.70 1.10 -7 18 0 3.50 1.40 -7 18 0 -0.20 2.20 -7 18 0 4.40 2.20 0 -19 0 0.90 0.90 0 -19 0 0.60 1.30 0 -19 0 0.10 0.90 0 -19 0 0.30 0.90 0 -19 0 0.30 1.10 0 -19 0 1.80 1.20 0 19 0 -1.30 0.80 0 19 0 -1.40 1.10 0 19 0 0.40 1.00 0 19 0 -0.40 0.80 0 19 0 1.20 1.30 0 19 0 -1.10 1.50 0 19 0 0.30 0.70 -1 -19 0 20.80 2.90 -1 -19 0 20.90 2.40 1 -19 0 19.20 2.80 -1 -19 0 15.80 2.20 -1 -19 0 17.80 2.40 -1 -19 0 19.50 2.80 1 -19 0 13.50 2.20 1 -19 0 15.00 2.10 1 -19 0 15.30 2.60 1 -19 0 20.20 2.50 1 -19 0 18.90 2.30 -1 19 0 16.80 2.70 -1 19 0 19.40 2.30 -1 19 0 18.00 2.10 1 19 0 17.60 2.40 1 19 0 16.40 2.50 1 19 0 22.80 3.00 1 19 0 13.50 2.50 1 19 0 18.30 2.20 -1 19 0 13.80 2.30 -1 19 0 18.10 2.20 1 19 0 15.80 2.10 -1 19 0 18.10 3.10 1 19 0 21.30 2.30 -2 -19 0 165.38 7.80 -2 -19 0 153.88 7.50 2 -19 0 162.08 7.90 -2 -19 0 176.48 8.80 -2 -19 0 158.58 7.90 2 -19 0 158.08 7.90 2 -19 0 154.98 8.30 2 -19 0 145.69 6.70 2 -19 0 159.68 8.30 -2 -19 0 137.39 10.70 2 -19 0 158.68 8.20 2 19 0 156.98 7.10 -2 19 0 156.68 7.80 2 19 0 148.09 7.80 2 19 0 148.79 8.00 -2 19 0 157.88 7.50 2 19 0 159.78 8.10 2 19 0 154.68 7.90 -2 19 0 155.58 7.10 2 19 0 161.78 7.20 -2 19 0 136.79 8.00 2 19 0 154.08 7.40 -3 -19 0 36.10 3.40 3 -19 0 38.80 3.80 -3 -19 0 31.40 3.50 -3 -19 0 41.60 3.60 3 -19 0 34.00 3.90 3 -19 0 36.20 3.30 3 -19 0 34.80 3.40 3 -19 0 37.40 3.70 -3 -19 0 29.30 4.10 3 19 0 32.00 3.30 3 19 0 38.60 3.50 3 19 0 36.20 3.00 -3 19 0 34.20 3.10 3 19 0 35.70 3.70 3 19 0 34.90 3.20 3 19 0 35.30 2.90 -3 19 0 36.80 3.50 3 19 0 34.90 3.60 4 -19 0 23.90 2.90 4 -19 0 20.70 3.20 4 -19 0 21.10 3.30 -4 -19 0 21.20 3.20 4 -19 0 21.20 2.90 -4 -19 0 18.90 3.20 4 -19 0 26.30 3.60 4 -19 0 20.80 3.30 -4 -19 0 25.70 3.30 -4 -19 0 25.40 2.60 4 -19 0 29.40 3.50 4 19 0 21.40 2.50 -4 19 0 17.30 2.50 4 19 0 20.00 2.40 4 19 0 24.10 3.00 4 19 0 24.40 2.60 -4 19 0 26.00 3.10 4 19 0 23.30 2.90 4 19 0 25.00 3.10 4 19 0 20.20 2.90 5 -19 0 3.30 1.60 5 -19 0 5.80 1.80 5 -19 0 5.40 1.60 -5 -19 0 0.10 2.60 5 -19 0 5.10 1.70 -5 -19 0 5.90 1.70 -5 -19 0 3.90 2.60 5 -19 0 5.10 1.80 5 -19 0 8.60 2.30 5 -19 0 6.20 2.00 -5 -19 0 0.80 2.10 5 19 0 4.40 2.10 5 19 0 7.20 1.80 -5 19 0 9.60 1.90 -5 19 0 5.30 2.00 5 19 0 8.70 2.00 5 19 0 5.40 1.50 6 -19 0 5.30 1.70 6 -19 0 3.40 1.30 6 -19 0 4.90 1.60 6 -19 0 3.00 1.30 -6 -19 0 2.80 1.80 -6 -19 0 8.90 1.90 6 -19 0 5.60 1.70 6 -19 0 4.90 1.70 -6 19 0 4.60 2.40 -6 19 0 5.10 1.90 6 19 0 3.80 1.20 -6 19 0 4.40 1.50 -7 -19 0 4.30 1.30 7 -19 0 0.40 0.90 7 -19 0 0.80 1.20 7 -19 0 1.50 1.10 7 -19 0 1.20 0.70 7 -19 0 1.50 1.00 7 -19 0 2.40 1.10 -7 19 0 1.50 1.20 0 -20 0 28.80 3.20 0 -20 0 32.30 3.00 0 -20 0 30.40 2.80 0 -20 0 25.60 3.20 0 -20 0 29.10 2.80 0 20 0 30.60 2.90 0 20 0 30.40 2.80 0 20 0 32.50 2.80 0 20 0 29.70 3.20 0 20 0 28.90 3.10 0 20 0 28.90 2.80 0 20 0 26.80 3.40 1 -20 0 9.10 2.10 -1 -20 0 9.20 2.00 -1 -20 0 10.60 2.20 1 -20 0 13.40 2.50 1 -20 0 6.80 1.40 1 -20 0 10.40 2.10 1 -20 0 13.10 2.00 -1 -20 0 9.60 2.00 -1 20 0 10.80 2.30 1 20 0 10.40 1.90 -1 20 0 7.30 1.60 -1 20 0 9.80 1.90 1 20 0 8.50 1.80 -1 20 0 8.80 2.00 1 20 0 6.80 1.70 1 20 0 7.90 1.70 1 20 0 11.30 2.10 1 20 0 5.80 1.70 -1 20 0 8.40 1.70 1 20 0 10.70 1.90 2 -20 0 36.40 3.00 2 -20 0 43.50 4.10 -2 -20 0 39.40 4.20 2 -20 0 43.00 4.10 -2 -20 0 41.00 3.60 2 -20 0 42.70 4.00 -2 -20 0 41.40 3.50 2 -20 0 37.60 3.40 -2 -20 0 50.29 3.70 2 -20 0 44.00 3.70 2 20 0 44.40 3.60 2 20 0 45.70 3.30 2 20 0 37.30 3.90 -2 20 0 42.30 3.50 -2 20 0 41.60 3.30 2 20 0 44.10 3.30 2 20 0 38.40 3.60 -2 20 0 34.80 4.10 -2 20 0 33.00 3.50 2 20 0 44.30 3.60 2 20 0 49.99 3.90 -2 20 0 38.20 4.10 -3 -20 0 185.18 8.80 -3 -20 0 164.58 9.30 3 -20 0 186.88 9.30 -3 -20 0 177.08 8.40 3 -20 0 184.08 9.50 -3 -20 0 179.78 8.80 3 -20 0 177.68 9.50 3 -20 0 190.48 9.20 3 -20 0 180.78 9.00 3 20 0 185.78 8.30 3 20 0 192.08 9.00 3 20 0 186.68 9.60 -3 20 0 175.38 8.60 3 20 0 172.68 8.00 -3 20 0 152.38 10.70 -3 20 0 181.48 8.80 3 20 0 191.38 8.10 3 20 0 174.48 9.00 -4 -20 0 27.30 3.40 4 -20 0 28.50 3.40 4 -20 0 25.30 3.50 4 -20 0 26.20 3.10 4 -20 0 29.30 3.50 4 -20 0 28.60 3.20 -4 -20 0 29.40 2.90 4 -20 0 28.00 3.40 4 -20 0 25.60 3.60 4 20 0 21.70 2.90 4 20 0 25.40 3.60 4 20 0 33.30 2.90 -4 20 0 26.30 3.20 -4 20 0 26.20 2.90 4 20 0 25.20 2.70 4 20 0 27.10 3.30 4 20 0 27.80 3.10 4 20 0 28.30 2.80 5 -20 0 2.80 1.40 5 -20 0 1.10 1.50 -5 -20 0 0.20 1.10 5 -20 0 1.20 1.40 5 -20 0 0.80 1.30 5 -20 0 1.70 1.50 5 -20 0 2.40 1.20 -5 20 0 -0.90 1.50 5 20 0 2.10 1.60 5 20 0 1.90 1.20 6 -20 0 9.30 1.90 6 -20 0 11.20 2.20 6 -20 0 7.00 1.50 6 -20 0 11.20 2.10 6 -20 0 9.00 2.00 -6 -20 0 14.90 2.30 6 -20 0 11.60 2.40 -6 20 0 8.80 2.00 -7 -20 0 -0.90 1.10 7 -20 0 -0.20 0.90 7 -20 0 1.60 1.00 7 -20 0 0.10 1.00 7 -20 0 0.80 0.90 7 -20 0 0.30 0.80 7 -20 0 0.80 0.80 -7 20 0 1.80 2.00 0 -21 0 -0.30 0.80 0 -21 0 -0.30 0.90 0 -21 0 -0.30 1.00 0 -21 0 -0.40 0.90 0 -21 0 0.00 1.20 0 21 0 -1.00 1.00 0 21 0 -1.80 1.20 0 21 0 0.00 0.90 0 21 0 0.70 1.30 0 21 0 -0.50 1.10 1 -21 0 81.39 5.60 -1 -21 0 89.99 5.60 -1 -21 0 94.49 5.50 1 -21 0 94.19 5.30 1 -21 0 95.89 5.10 1 -21 0 94.69 6.00 1 -21 0 86.79 5.50 -1 -21 0 96.09 5.80 -1 -21 0 99.09 5.50 1 -21 0 83.69 5.80 -1 -21 0 96.29 5.60 1 21 0 89.49 5.10 1 21 0 92.59 5.80 1 21 0 88.19 5.10 1 21 0 93.89 5.70 1 21 0 92.99 5.60 -1 21 0 92.29 6.20 -1 21 0 102.09 5.40 -1 21 0 92.09 5.10 1 21 0 88.99 6.00 1 21 0 95.29 5.40 -1 21 0 87.29 5.40 -2 -21 0 7.90 1.80 -2 -21 0 5.90 1.70 -2 -21 0 6.40 1.70 2 -21 0 6.90 1.70 2 -21 0 7.30 2.00 -2 -21 0 6.10 1.70 2 -21 0 9.00 2.00 2 -21 0 7.20 1.40 2 -21 0 7.80 2.20 2 21 0 7.20 1.90 2 21 0 5.10 1.60 2 21 0 8.40 1.70 -2 21 0 9.40 2.00 -2 21 0 9.10 2.30 -2 21 0 4.10 1.90 2 21 0 7.40 1.70 2 21 0 5.60 2.50 -2 21 0 6.00 1.80 2 21 0 6.30 1.40 3 -21 0 43.50 4.30 -3 -21 0 47.20 3.60 3 -21 0 44.60 3.90 3 -21 0 42.40 4.30 3 -21 0 47.50 4.00 -3 -21 0 43.00 4.00 3 -21 0 44.40 4.20 -3 -21 0 43.20 3.80 3 -21 0 40.40 4.40 -3 21 0 37.40 4.60 3 21 0 47.80 3.70 3 21 0 41.20 4.10 3 21 0 42.60 4.00 3 21 0 43.80 3.60 -3 21 0 41.50 3.60 -3 21 0 43.10 4.00 3 21 0 45.30 3.30 3 21 0 39.00 3.40 3 21 0 40.10 4.10 -3 21 0 41.10 3.50 4 -21 0 62.89 6.40 4 -21 0 53.99 6.70 -4 21 0 75.49 4.70 4 21 0 76.79 4.80 -4 21 0 64.09 4.70 4 21 0 66.19 4.40 4 21 0 74.69 5.60 4 21 0 67.89 4.00 4 21 0 68.89 4.40 -4 21 0 65.39 5.70 -5 -21 0 1.90 1.30 5 -21 0 1.30 1.30 5 -21 0 1.40 1.30 5 -21 0 2.90 1.70 5 -21 0 1.20 1.20 5 -21 0 1.00 1.20 5 -21 0 1.60 1.30 5 -21 0 1.80 1.40 -5 21 0 1.20 1.30 5 21 0 3.10 1.30 5 21 0 1.40 1.60 6 -21 0 5.20 1.30 -6 -21 0 9.00 1.60 6 -21 0 13.60 3.40 6 -21 0 6.00 1.50 6 -21 0 7.80 1.80 6 -21 0 8.40 2.00 6 -21 0 8.60 1.80 6 21 0 9.90 1.60 -6 21 0 10.20 3.70 -6 21 0 11.20 2.00 7 -21 0 1.30 0.90 7 -21 0 1.10 1.10 7 -21 0 0.60 0.70 7 -21 0 2.40 0.90 -7 -21 0 1.30 0.80 0 -22 0 327.07 12.70 0 -22 0 310.47 13.20 0 -22 0 325.07 13.10 0 -22 0 321.87 13.60 0 -22 0 319.77 13.30 0 22 0 288.87 12.40 0 22 0 299.27 13.60 0 22 0 309.17 12.80 0 22 0 318.67 13.50 0 22 0 319.57 13.20 0 22 0 321.87 12.70 1 -22 0 226.08 10.60 1 -22 0 221.48 9.20 1 -22 0 215.08 9.80 1 -22 0 222.88 10.20 -1 -22 0 216.38 9.70 -1 -22 0 233.28 10.10 -1 -22 0 216.18 9.70 -1 -22 0 231.38 10.10 -1 -22 0 204.78 10.00 1 -22 0 226.38 10.50 -1 22 0 204.78 10.40 1 22 0 215.88 9.40 1 22 0 229.98 10.40 -1 22 0 221.18 9.60 -1 22 0 206.38 10.10 -1 22 0 220.18 9.70 1 22 0 228.78 10.00 -1 22 0 209.98 10.00 1 22 0 238.58 9.70 1 22 0 207.68 10.90 2 -22 0 0.90 1.00 2 -22 0 3.00 1.90 2 -22 0 3.00 1.70 -2 -22 0 1.50 1.10 -2 -22 0 0.80 1.10 2 -22 0 -0.30 1.00 2 -22 0 -0.80 0.90 -2 -22 0 1.80 1.40 -2 -22 0 0.70 1.10 2 22 0 0.70 1.20 -2 22 0 -0.10 1.00 2 22 0 -0.20 1.20 2 22 0 0.10 1.00 2 22 0 -1.30 1.50 -2 22 0 1.00 1.50 -2 22 0 -2.10 1.10 -2 22 0 -2.30 1.60 2 22 0 -0.50 1.20 2 22 0 0.00 1.10 2 22 0 -1.80 1.60 -2 22 0 2.00 1.80 -3 -22 0 5.00 1.50 3 -22 0 6.40 2.00 -3 -22 0 5.00 1.50 -3 -22 0 5.10 2.10 3 -22 0 6.20 1.70 3 -22 0 5.80 2.10 3 -22 0 4.50 1.90 -3 -22 0 5.80 1.80 3 -22 0 5.40 1.70 3 22 0 4.30 1.70 3 22 0 7.30 1.90 -3 22 0 10.70 2.30 3 22 0 5.30 1.40 -3 22 0 3.20 1.50 3 22 0 4.40 1.80 3 22 0 3.10 1.50 3 22 0 5.90 1.40 3 22 0 3.00 1.60 -3 22 0 5.00 1.60 4 -22 0 72.29 5.40 4 -22 0 67.19 5.50 4 -22 0 79.99 5.70 4 -22 0 74.99 5.20 4 -22 0 79.29 5.30 4 -22 0 70.79 5.00 -4 -22 0 76.69 4.90 4 22 0 68.19 4.70 -4 22 0 69.39 5.00 4 22 0 72.59 4.10 4 22 0 55.99 5.30 -4 22 0 61.59 5.40 4 22 0 72.59 4.60 -4 22 0 67.59 4.50 -4 22 0 68.19 6.90 5 -22 0 6.20 1.80 5 -22 0 6.70 1.60 5 -22 0 8.10 1.90 5 -22 0 8.40 2.20 5 -22 0 6.80 1.70 -5 -22 0 8.00 1.60 5 -22 0 7.10 1.90 -5 22 0 7.40 1.70 5 22 0 7.80 1.60 5 22 0 5.30 2.50 -5 22 0 6.90 2.00 -5 22 0 10.00 2.50 6 -22 0 -0.30 2.00 -6 -22 0 1.90 1.00 6 -22 0 1.10 1.00 6 -22 0 2.00 1.10 6 -22 0 0.60 1.20 6 -22 0 2.00 1.20 -6 22 0 -1.10 2.00 -6 22 0 1.40 1.80 6 22 0 2.40 1.10 -6 22 0 3.40 1.40 0 -23 0 1.10 1.20 0 -23 0 0.90 1.00 0 -23 0 0.50 1.10 0 -23 0 0.00 1.10 0 -23 0 -0.30 1.40 0 23 0 -1.10 1.10 0 23 0 -0.70 1.90 0 23 0 -0.10 1.30 0 23 0 -1.40 1.20 0 23 0 -0.70 1.30 0 23 0 0.40 1.00 1 -23 0 15.40 2.20 -1 -23 0 20.60 2.60 1 -23 0 19.50 3.10 1 -23 0 16.90 2.50 1 -23 0 13.90 2.60 -1 -23 0 16.70 2.40 1 -23 0 17.20 2.40 -1 -23 0 18.50 2.50 1 23 0 12.70 2.90 -1 23 0 20.20 2.40 1 23 0 17.60 2.80 1 23 0 20.50 2.50 1 23 0 15.90 2.30 1 23 0 13.20 2.30 -1 23 0 11.30 2.40 1 23 0 10.70 2.10 -1 23 0 20.30 2.70 -1 23 0 18.10 2.80 2 -23 0 61.19 5.10 2 -23 0 66.69 4.70 -2 -23 0 66.39 4.60 -2 -23 0 56.89 4.60 2 -23 0 59.29 3.20 -2 -23 0 61.79 4.40 2 -23 0 64.49 4.90 2 -23 0 63.09 4.50 2 23 0 64.19 4.10 -2 23 0 49.40 4.80 2 23 0 63.29 5.40 2 23 0 62.19 4.30 2 23 0 61.49 4.70 -2 23 0 58.19 4.30 -2 23 0 62.49 4.50 2 23 0 55.89 4.20 -2 23 0 60.29 4.20 2 23 0 62.29 5.00 -2 23 0 61.29 4.90 2 23 0 66.29 4.50 -3 -23 0 1.00 1.80 -3 -23 0 -0.10 0.90 3 -23 0 1.60 1.50 3 -23 0 0.50 1.40 -3 -23 0 -0.40 1.00 3 -23 0 0.90 1.20 3 -23 0 0.70 1.10 3 -23 0 1.20 1.20 -3 -23 0 -2.70 1.20 -3 23 0 -0.30 1.70 3 23 0 -1.40 0.90 -3 23 0 -0.80 1.60 -3 23 0 0.00 1.60 3 23 0 1.30 1.10 3 23 0 1.00 1.40 -3 23 0 -1.30 1.00 3 23 0 1.20 1.40 3 23 0 -1.20 1.80 4 -23 0 -0.20 1.20 4 -23 0 0.80 1.10 4 -23 0 -0.10 1.00 4 -23 0 1.30 1.40 -4 -23 0 1.30 1.10 4 -23 0 0.00 1.20 4 23 0 4.20 1.60 4 23 0 -0.10 1.00 -4 23 0 -0.50 1.10 -4 23 0 1.40 1.90 4 23 0 2.70 1.00 4 23 0 -0.40 1.00 -4 23 0 -2.20 3.20 5 -23 0 -1.00 0.70 5 -23 0 -0.70 0.90 5 -23 0 -1.50 1.10 -5 -23 0 0.20 0.90 5 -23 0 -2.20 1.00 5 -23 0 -1.10 1.10 5 23 0 0.70 1.00 -5 23 0 -1.80 1.90 -5 23 0 -1.30 1.20 -5 23 0 7.20 2.70 6 -23 0 0.10 0.70 6 -23 0 0.00 0.90 6 -23 0 0.80 1.10 -6 -23 0 -1.40 0.60 6 -23 0 1.40 1.10 -6 23 0 -3.90 2.30 6 23 0 0.40 0.80 0 -24 0 34.40 3.10 0 -24 0 39.40 3.70 0 -24 0 39.00 3.50 0 -24 0 34.70 3.80 0 24 0 29.40 3.30 0 24 0 38.10 5.10 0 24 0 40.10 3.40 0 24 0 37.00 3.80 0 24 0 37.10 3.90 0 24 0 32.30 3.50 1 -24 0 83.39 5.80 -1 -24 0 90.49 5.40 1 -24 0 79.69 5.00 -1 -24 0 85.39 5.30 1 -24 0 80.19 4.40 -1 -24 0 78.99 4.90 1 -24 0 81.29 5.50 -1 -24 0 78.99 5.50 1 -24 0 81.09 5.40 -1 24 0 76.49 5.60 1 24 0 82.49 5.50 1 24 0 81.89 6.40 1 24 0 71.69 5.10 -1 24 0 83.19 5.30 1 24 0 84.09 4.90 -1 24 0 81.39 5.00 -1 24 0 86.39 5.70 1 24 0 88.59 5.50 -1 24 0 88.39 5.10 2 -24 0 113.09 6.20 2 -24 0 103.49 6.60 2 -24 0 113.19 6.50 -2 -24 0 110.59 6.40 -2 -24 0 103.19 6.20 2 -24 0 99.69 8.10 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34.00 3.60 1 -25 0 29.30 3.30 1 -25 0 27.50 2.40 -1 -25 0 29.50 3.00 -1 -25 0 29.40 3.40 -1 -25 0 30.60 3.00 1 25 0 29.40 3.30 1 25 0 27.90 2.80 1 25 0 30.40 3.20 1 25 0 27.40 5.20 -1 25 0 27.00 3.30 -1 25 0 23.10 3.40 -1 25 0 31.20 3.00 -2 -25 0 36.40 3.60 2 -25 0 39.70 4.20 2 -25 0 37.60 3.80 2 -25 0 34.50 3.70 -2 -25 0 28.40 3.60 -2 -25 0 37.00 3.40 2 -25 0 36.90 3.40 2 -25 0 34.80 3.20 2 25 0 38.60 3.50 2 25 0 40.90 3.20 -2 25 0 38.20 3.80 -2 25 0 35.50 4.00 -2 25 0 39.00 3.30 2 25 0 37.50 3.70 3 -25 0 17.70 2.30 -3 -25 0 23.70 2.70 3 -25 0 24.50 3.10 3 -25 0 16.70 2.80 3 -25 0 19.30 2.50 3 -25 0 21.00 3.10 -3 25 0 22.10 2.50 -3 25 0 11.90 3.00 -3 25 0 21.70 3.20 3 25 0 19.40 2.80 3 25 0 21.70 2.50 -4 -25 0 0.00 0.90 4 -25 0 1.10 1.20 4 -25 0 0.50 0.90 4 -25 0 0.60 1.10 4 -25 0 0.50 1.20 4 -25 0 1.00 1.30 -4 25 0 0.60 1.00 -4 25 0 0.10 1.40 4 25 0 -0.10 1.10 4 25 0 0.40 1.70 4 25 0 0.90 1.20 -5 -25 0 0.30 0.70 5 -25 0 -0.50 0.80 5 -25 0 -0.60 0.80 5 -25 0 -0.60 0.70 5 -25 0 -1.90 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4 5.80 2.00 6 4 -4 3.20 1.40 6 4 -4 7.90 1.90 5 -4 -4 25.70 2.80 -5 -4 4 30.10 3.20 -5 -4 4 27.60 3.10 -5 -4 4 30.30 2.60 5 -4 -4 34.60 3.00 5 -4 -4 35.80 3.30 5 -4 -4 27.50 2.90 5 4 -4 32.00 3.00 -5 4 4 43.00 5.10 -5 4 4 30.40 3.20 -5 4 4 29.70 2.70 5 4 -4 28.60 2.90 5 4 -4 22.40 2.70 5 4 -4 23.70 3.10 5 4 -4 28.20 2.70 5 4 -4 25.80 2.70 -5 4 4 30.90 3.30 5 4 -4 29.00 2.80 -4 -4 4 2.30 1.20 -4 -4 4 0.80 0.80 4 -4 -4 2.50 0.90 4 -4 -4 2.10 0.80 4 -4 -4 1.20 1.00 -4 -4 4 0.20 1.10 4 -4 -4 0.90 1.10 4 4 -4 -0.50 1.10 -4 4 4 2.60 1.20 4 4 -4 0.90 0.80 4 4 -4 2.20 1.10 4 4 -4 1.10 0.70 -4 4 4 2.90 1.20 4 4 -4 -0.10 0.90 -3 -4 4 114.79 6.20 3 -4 -4 129.29 5.70 3 -4 -4 117.39 5.90 3 -4 -4 127.09 5.70 -3 4 4 126.59 5.90 3 4 -4 128.69 5.90 3 4 -4 127.09 6.00 3 4 -4 126.69 5.50 -3 4 4 121.69 6.20 3 4 -4 124.69 5.90 -3 4 4 124.09 5.60 2 -4 -4 10.90 1.30 2 -4 -4 13.70 1.50 2 -4 -4 13.50 1.70 -2 -4 4 10.60 1.70 2 -4 -4 12.60 1.90 -2 4 4 11.60 1.60 2 4 -4 13.00 1.70 2 4 -4 10.20 1.50 2 4 -4 13.60 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75.59 5.10 2 -22 -4 71.39 4.80 -2 -22 4 88.79 5.80 2 -22 -4 80.49 5.40 2 -22 -4 70.99 4.70 -2 -22 4 80.79 4.40 2 -22 -4 75.89 5.40 2 22 -4 86.89 5.20 -2 22 4 86.19 5.60 -2 22 4 78.29 6.30 2 22 -4 87.29 4.90 2 22 -4 80.29 5.30 2 22 -4 76.19 5.90 -2 22 4 89.49 6.00 -2 22 4 80.09 5.00 -2 22 4 81.79 5.60 -2 22 4 80.09 6.00 1 -22 -4 16.60 2.70 1 -22 -4 22.90 3.80 -1 -22 4 22.30 3.30 1 -22 -4 18.40 3.80 -1 -22 4 16.20 2.80 -1 22 4 10.40 2.60 -1 22 4 17.20 2.90 1 22 -4 17.90 2.30 1 22 -4 19.00 3.10 -1 22 4 13.20 2.50 -1 22 4 9.90 3.30 1 22 -4 18.10 3.30 -1 22 4 18.80 3.90 -1 22 4 17.40 2.40 0 -22 4 1.70 2.30 0 -22 4 2.80 1.80 0 -22 -4 1.30 1.40 0 -22 4 1.10 1.30 0 -22 -4 0.10 1.20 0 -22 4 1.10 1.60 0 -22 4 0.90 1.60 0 22 -4 -0.10 1.60 0 22 -4 -0.80 0.90 0 22 4 2.10 1.20 0 22 4 3.20 1.80 0 22 4 1.60 1.20 0 22 4 0.50 1.70 0 22 4 1.60 1.90 0 22 4 1.30 1.20 -1 -22 -4 1.00 1.10 1 -22 4 -0.90 1.00 -1 -22 -4 0.70 1.10 1 -22 4 1.90 1.60 1 -22 4 0.70 1.10 1 -22 4 0.30 1.20 1 -22 4 0.40 1.00 1 22 4 2.20 3.10 1 22 4 -0.90 1.00 1 22 4 -0.90 1.30 1 22 4 1.30 1.20 -1 22 -4 1.30 0.90 1 22 4 0.60 1.10 1 22 4 0.30 1.00 -2 -22 -4 57.19 4.20 2 -22 4 46.30 4.00 2 -22 4 52.19 4.40 2 -22 4 52.29 4.40 2 -22 4 46.90 3.50 2 -22 4 50.69 4.50 -2 -22 -4 54.59 4.40 2 22 4 48.80 3.30 2 22 4 53.79 4.30 -2 22 -4 55.29 3.50 2 22 4 48.90 3.90 2 22 4 56.09 4.40 3 -22 4 19.40 2.90 3 -22 4 21.20 3.00 -3 -22 -4 21.10 2.70 3 -22 4 16.60 2.00 3 -22 4 19.20 2.90 3 -22 4 18.50 3.10 -3 -22 -4 17.70 2.80 3 22 4 27.50 2.80 3 22 4 19.50 2.60 3 22 4 17.50 2.40 4 -22 4 4.40 1.60 4 -22 4 6.40 1.80 -4 -22 -4 4.80 1.30 -4 -22 -4 2.70 1.50 4 -22 4 5.40 1.60 4 -22 4 4.30 1.30 4 22 4 6.00 1.60 4 22 4 6.70 1.50 4 22 4 4.10 1.30 5 -22 4 1.40 1.20 5 -22 4 -0.30 0.90 5 -22 4 0.60 0.80 -5 -22 -4 0.80 1.10 5 -22 4 0.60 0.80 5 22 4 0.80 1.10 -5 -23 4 3.80 1.10 5 -23 -4 4.30 1.30 5 -23 -4 3.20 2.00 5 -23 -4 6.30 1.60 5 -23 -4 3.20 1.20 -5 23 4 2.50 2.00 5 23 -4 5.50 1.70 -5 23 4 2.50 1.60 -5 23 4 7.00 1.70 5 23 -4 3.80 1.00 -5 23 4 5.90 1.60 5 23 -4 6.00 1.30 -5 23 4 4.10 1.40 -4 -23 4 0.50 0.90 4 -23 -4 1.50 1.40 4 -23 -4 1.20 0.90 4 -23 -4 -0.10 1.30 4 -23 -4 -0.20 1.00 4 23 -4 3.40 1.20 -4 23 4 0.90 1.30 -4 23 4 0.50 1.20 -4 23 4 3.60 1.90 4 23 -4 2.10 1.10 -4 23 4 1.50 1.60 4 23 -4 1.20 1.20 4 23 -4 1.80 1.10 -4 23 4 4.20 1.70 3 -23 -4 19.70 2.40 3 -23 -4 22.30 2.60 -3 -23 4 22.40 2.40 3 -23 -4 21.30 2.90 -3 -23 4 17.90 2.70 3 -23 -4 24.60 3.20 -3 -23 4 25.20 3.20 -3 23 4 24.70 3.40 3 23 -4 25.60 2.90 -3 23 4 31.10 3.60 -3 23 4 25.40 2.90 -3 23 4 21.80 3.00 3 23 -4 23.50 2.60 -3 23 4 25.40 3.60 3 23 -4 24.00 3.00 3 23 -4 19.90 2.70 -2 -23 4 0.40 1.30 2 -23 -4 1.20 1.30 2 -23 -4 1.10 1.20 -2 -23 4 0.70 1.30 -2 -23 4 0.40 0.90 2 -23 -4 0.20 1.30 -2 -23 4 -1.20 1.20 2 -23 -4 -0.20 1.60 -2 23 4 -0.20 1.20 -2 23 4 -0.60 1.10 -2 23 4 1.40 1.20 -2 23 4 1.30 1.30 2 23 -4 -1.20 1.10 -2 23 4 -0.60 1.10 2 23 -4 1.50 1.20 1 -23 -4 25.80 3.20 -1 -23 4 26.30 2.20 -1 -23 4 23.50 3.00 -1 -23 4 24.20 3.10 1 -23 -4 26.50 2.90 -1 -23 4 27.30 3.40 1 -23 -4 27.40 2.80 1 23 -4 27.50 3.30 1 23 -4 24.80 3.30 1 23 -4 26.00 2.60 -1 23 4 25.30 3.20 -1 23 4 29.30 3.40 -1 23 4 26.40 2.80 -1 23 4 27.00 3.50 -1 23 4 25.80 3.30 0 -23 4 16.50 2.80 0 -23 4 14.80 2.00 0 -23 4 18.20 2.80 0 -23 4 18.00 2.70 0 -23 -4 20.90 2.90 0 -23 4 18.60 2.90 0 -23 -4 21.30 2.70 0 23 4 18.60 2.30 0 23 -4 12.90 2.00 0 23 4 17.30 2.70 0 23 4 18.10 2.70 0 23 -4 13.40 2.10 0 23 4 21.90 4.00 0 23 4 14.00 2.70 0 23 4 15.00 2.80 1 -23 4 3.80 1.50 1 -23 4 2.20 1.20 -1 -23 -4 2.80 1.40 1 -23 4 2.50 1.50 1 -23 4 0.80 1.30 -1 -23 -4 3.50 1.50 1 23 4 2.10 1.60 1 23 4 2.30 1.30 -1 23 -4 0.90 1.80 1 23 4 3.20 1.40 1 23 4 2.10 1.50 -2 -23 -4 6.10 1.90 2 -23 4 5.80 1.90 2 -23 4 0.90 1.40 2 -23 4 4.20 1.60 2 -23 4 6.40 1.80 -2 -23 -4 9.90 3.00 2 -23 4 4.10 1.30 2 23 4 5.00 1.70 2 23 4 7.30 2.40 2 23 4 3.40 1.30 2 23 4 3.40 1.20 -2 23 -4 3.80 1.30 3 -23 4 -0.60 1.10 -3 -23 -4 0.50 1.00 3 -23 4 0.80 1.20 3 -23 4 -0.20 1.00 3 -23 4 0.70 1.00 3 23 4 -1.20 1.00 3 23 4 -0.40 1.10 3 23 4 -0.60 1.10 4 -23 4 6.30 2.00 -4 -23 -4 2.40 1.30 -4 -23 -4 6.00 1.60 4 -23 4 2.20 1.30 4 -23 4 3.20 1.10 4 -23 4 2.00 1.30 4 23 4 1.50 1.20 4 23 4 3.90 1.10 4 23 4 6.00 1.60 5 -23 4 0.30 0.90 5 -23 4 1.90 1.20 5 -23 4 1.90 0.70 -5 -23 -4 1.40 1.00 5 -23 4 1.20 1.10 5 -24 -4 8.50 1.60 5 -24 -4 2.50 1.60 -5 -24 4 4.70 1.00 -5 24 4 4.60 1.50 5 24 -4 4.90 1.10 -5 24 4 3.90 1.50 5 24 -4 6.80 1.60 5 24 -4 3.80 1.10 -5 24 4 5.20 1.40 -5 24 4 6.40 1.40 -4 -24 4 42.90 3.50 4 -24 -4 40.60 2.40 4 -24 -4 46.40 3.90 4 -24 -4 44.40 3.90 4 24 -4 52.99 4.40 4 24 -4 47.40 3.70 -4 24 4 52.59 3.60 4 24 -4 50.69 3.20 -4 24 4 50.79 4.20 -4 24 4 52.39 5.80 -4 24 4 45.80 3.90 -4 24 4 45.50 3.90 -3 -24 4 46.80 3.10 3 -24 -4 42.20 3.50 -3 -24 4 49.70 3.60 -3 -24 4 49.00 4.00 3 -24 -4 45.10 5.50 3 -24 -4 46.70 3.40 -3 24 4 50.39 3.80 3 24 -4 54.29 3.50 -3 24 4 48.20 4.20 -3 24 4 54.09 4.40 3 24 -4 51.49 3.80 -3 24 4 53.19 4.60 -3 24 4 46.70 4.10 3 24 -4 49.70 3.80 3 24 -4 56.39 4.10 -2 -24 4 7.00 1.60 2 -24 -4 11.20 2.10 2 -24 -4 9.90 2.00 -2 -24 4 8.70 1.80 2 -24 -4 6.70 1.60 2 -24 -4 7.50 2.30 -2 -24 4 9.80 1.70 -2 -24 4 9.10 1.90 -2 24 4 8.70 2.20 2 24 -4 5.80 1.50 -2 24 4 6.50 1.90 -2 24 4 15.20 2.40 -2 24 4 10.10 2.10 2 24 -4 10.60 2.00 -2 24 4 9.90 2.30 -1 -24 4 1.30 1.40 1 -24 -4 2.90 1.50 1 -24 -4 0.90 1.10 -1 -24 4 2.60 1.40 -1 -24 4 0.60 1.10 -1 -24 4 0.90 1.30 1 -24 -4 -0.10 1.00 -1 24 4 0.50 1.40 1 24 -4 0.90 1.40 -1 24 4 1.70 1.20 1 24 -4 0.80 1.40 1 24 -4 2.60 1.40 -1 24 4 1.30 1.30 0 -24 -4 35.40 3.50 0 -24 4 27.50 3.20 0 -24 4 35.60 3.50 0 -24 4 39.20 3.70 0 -24 4 32.60 3.20 0 -24 4 28.20 2.60 0 24 -4 31.30 3.10 0 24 4 25.90 2.80 0 24 -4 34.10 3.40 0 24 4 29.80 3.60 0 24 4 32.10 3.30 0 24 4 33.60 3.30 1 -24 4 5.70 1.80 1 -24 4 2.10 1.40 1 -24 4 1.90 1.20 1 -24 4 3.60 1.30 1 -24 4 4.40 1.60 -1 -24 -4 2.30 1.30 -1 -24 -4 3.50 1.40 1 24 4 3.70 1.50 1 24 4 4.20 1.60 -1 24 -4 2.10 1.70 1 24 4 1.20 1.30 1 24 4 4.30 1.50 -1 24 -4 2.60 1.20 1 24 4 3.00 1.20 2 -24 4 0.30 1.10 2 -24 4 -0.60 0.90 2 -24 4 -2.60 1.30 2 -24 4 -0.80 1.10 2 -24 4 0.10 1.00 -2 -24 -4 0.90 1.10 -2 -24 -4 -0.30 0.90 2 24 4 -0.40 1.70 2 24 4 -0.60 0.90 2 24 4 0.40 1.10 -2 24 -4 -1.00 0.90 3 -24 4 0.30 0.90 3 -24 4 -0.40 0.90 3 -24 4 -0.10 1.10 -3 -24 -4 -0.30 0.90 -3 -24 -4 2.20 1.40 3 -24 4 0.70 1.10 3 24 4 0.00 1.50 3 24 4 0.30 1.00 3 24 4 1.00 1.20 -4 -24 -4 24.80 2.50 4 -24 4 20.10 2.40 -4 -24 -4 18.30 2.10 4 -24 4 19.90 2.40 4 24 4 18.80 2.30 4 24 4 20.40 2.20 5 -25 -4 2.10 1.30 -5 -25 4 3.10 0.90 -5 25 4 3.30 1.10 -5 25 4 1.90 1.30 5 25 -4 1.50 1.10 -5 25 4 0.80 1.20 -5 25 4 1.90 1.20 -4 -25 4 3.80 0.90 4 -25 -4 3.50 1.40 4 -25 -4 2.20 1.20 4 -25 -4 1.20 1.30 4 25 -4 4.70 2.20 -4 25 4 1.90 1.40 -4 25 4 0.50 1.40 -4 25 4 1.20 1.20 -4 25 4 2.70 1.70 4 25 -4 3.10 1.00 4 25 -4 4.00 1.30 4 25 -4 2.90 1.20 -4 25 4 1.40 1.30 -3 -25 4 19.30 2.60 3 -25 -4 24.20 2.70 -3 -25 4 25.20 3.50 -3 -25 4 19.40 2.30 3 -25 -4 16.50 2.60 3 25 -4 23.70 2.60 3 25 -4 23.00 2.80 -3 25 4 27.40 4.40 3 25 -4 18.40 2.30 -3 25 4 13.10 2.30 -3 25 4 21.50 3.00 -3 25 4 20.80 2.50 -3 25 4 20.50 3.10 2 -25 -4 12.00 2.00 2 -25 -4 15.00 2.50 -2 -25 4 9.80 2.60 -2 -25 4 11.20 1.80 2 -25 -4 16.20 2.30 2 -25 -4 14.70 2.10 -2 -25 4 12.90 2.40 -2 -25 4 13.80 2.20 -2 25 4 11.80 1.90 -2 25 4 10.40 2.10 -2 25 4 10.30 2.10 2 25 -4 15.80 2.60 -2 25 4 16.30 2.70 2 25 -4 14.00 2.60 -2 25 4 17.30 3.00 1 -25 -4 7.50 1.70 -1 -25 4 8.10 2.00 -1 -25 4 6.50 1.70 1 -25 -4 7.60 1.70 1 -25 -4 4.60 1.40 -1 -25 4 9.30 2.00 -1 -25 4 4.30 1.40 1 25 -4 9.60 2.40 -1 25 4 7.60 1.70 -1 25 4 7.90 2.20 -1 25 4 7.60 1.70 -1 25 4 9.80 2.20 -1 25 4 11.40 3.40 1 25 -4 6.90 1.40 1 25 -4 7.40 1.60 0 -25 4 30.60 3.10 0 -25 4 29.10 3.20 0 -25 4 26.00 3.00 0 -25 -4 30.30 3.00 0 -25 -4 29.90 3.10 0 -25 4 25.10 2.30 0 -25 4 32.40 3.30 0 25 4 27.10 3.30 0 25 -4 29.00 2.60 0 25 4 27.80 2.70 0 25 4 28.30 4.40 0 25 4 32.40 3.00 0 25 4 33.20 3.50 1 -25 4 2.40 1.00 1 -25 4 -0.10 1.30 -1 -25 -4 1.20 1.00 1 -25 4 1.10 1.10 -1 -25 -4 1.70 1.20 1 -25 4 3.80 1.40 1 -25 4 0.70 1.10 -1 25 -4 0.20 1.60 1 25 4 2.50 1.30 1 25 4 0.90 1.30 -1 25 -4 1.10 1.00 1 25 4 0.70 1.30 1 25 4 -0.50 2.00 1 25 4 -0.30 1.00 2 -25 4 1.60 1.40 2 -25 4 1.80 1.20 2 -25 4 2.90 1.10 -2 -25 -4 2.90 1.30 -2 -25 -4 2.60 1.20 2 25 4 3.10 1.20 2 25 4 1.30 1.10 -2 25 -4 4.10 1.70 2 25 4 2.70 1.40 3 -25 4 31.60 3.00 -3 -25 -4 33.10 3.00 -3 -25 -4 27.40 2.50 3 -25 4 31.80 3.10 3 -25 4 31.30 3.00 3 -25 4 24.30 2.20 3 25 4 27.90 3.60 3 25 4 28.60 2.60 4 -25 4 21.80 2.50 -4 -25 -4 23.80 2.20 4 -25 4 20.40 2.20 4 -25 4 21.00 2.10 -4 -25 -4 17.40 2.00 4 25 4 25.60 1.90 -4 -26 4 10.20 1.40 4 -26 -4 9.40 1.60 4 -26 -4 11.50 2.30 -4 26 4 6.10 2.00 4 26 -4 10.30 1.70 -4 26 4 9.00 2.00 -4 26 4 14.60 2.50 4 26 -4 8.60 1.50 -4 26 4 9.80 1.80 4 26 -4 14.50 2.20 4 26 -4 12.40 1.90 3 -26 -4 6.40 1.40 -3 -26 4 11.90 1.50 3 -26 -4 8.80 1.40 3 -26 -4 8.20 2.50 -3 26 4 7.30 2.10 3 26 -4 12.70 2.10 3 26 -4 12.70 2.00 -3 26 4 9.80 1.90 3 26 -4 8.80 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1.80 7 4 -7 3.20 1.60 7 4 -7 2.80 1.30 -7 4 7 2.70 2.00 -7 4 7 2.30 1.50 6 -4 -7 14.10 2.70 6 -4 -7 11.70 2.00 -6 -4 7 5.60 1.90 -6 4 7 16.80 4.00 -6 4 7 7.20 3.60 6 4 -7 11.40 2.40 -6 4 7 8.20 2.20 6 4 -7 6.30 1.50 -6 4 7 10.60 1.90 5 -4 -7 130.89 6.40 5 -4 -7 156.38 7.70 -5 -4 7 155.68 8.90 5 -4 -7 140.19 7.70 5 -4 -7 129.69 7.70 -5 -4 7 152.28 8.00 -5 4 7 128.39 7.00 5 4 -7 147.29 6.80 -5 4 7 145.29 7.70 5 4 -7 138.29 7.70 5 4 -7 150.48 7.70 5 4 -7 147.89 7.50 -5 4 7 154.38 7.30 -5 4 7 149.49 8.40 -5 4 7 153.48 8.70 5 4 -7 146.39 6.40 -5 4 7 124.59 6.90 4 -4 -7 181.38 9.00 -4 -4 7 189.08 9.20 4 -4 -7 176.68 7.70 4 -4 -7 182.38 8.90 4 -4 -7 186.28 8.60 -4 -4 7 160.48 8.40 -4 -4 7 180.18 10.00 4 4 -7 186.98 8.00 4 4 -7 177.68 9.00 -4 4 7 157.88 8.40 4 4 -7 192.88 9.00 -4 4 7 166.18 8.10 4 4 -7 182.88 9.00 -4 4 7 170.98 8.40 -4 4 7 187.28 8.30 -4 4 7 185.88 9.90 -4 4 7 186.68 9.70 4 4 -7 181.38 8.80 4 4 -7 185.38 8.40 3 -4 -7 10.90 1.90 -3 -4 7 11.60 2.70 -3 -4 7 16.60 2.70 -3 -4 7 11.90 2.40 3 -4 -7 12.60 2.10 3 -4 -7 14.80 2.20 3 -4 -7 12.30 2.30 3 -4 -7 17.20 2.80 -3 -4 7 16.50 2.80 3 -4 -7 18.90 2.80 -3 4 7 15.30 2.80 3 4 -7 13.30 2.00 -3 4 7 10.70 2.40 -3 4 7 13.30 2.30 3 4 -7 17.60 2.40 3 4 -7 14.80 2.60 -3 4 7 13.80 2.50 3 4 -7 15.90 2.50 3 4 -7 15.50 2.40 2 -4 -7 6.10 1.50 -2 -4 7 5.70 1.70 2 -4 -7 5.00 1.60 2 -4 -7 3.30 1.30 2 -4 -7 2.50 1.40 -2 -4 7 8.00 2.10 2 -4 -7 6.80 1.60 2 -4 -7 9.10 2.00 -2 -4 7 4.30 1.50 -2 -4 7 8.30 1.90 -2 4 7 6.50 1.90 2 4 -7 3.20 1.50 2 4 -7 5.70 1.50 -2 4 7 6.00 1.40 2 4 -7 8.80 1.70 -2 4 7 4.30 1.90 -2 4 7 4.70 1.40 2 4 -7 3.10 1.40 -2 4 7 9.30 2.10 2 4 -7 7.60 1.90 -2 4 7 5.10 2.00 1 -4 -7 -0.50 1.00 -1 -4 7 0.30 1.20 1 -4 -7 0.70 1.20 1 -4 -7 1.40 0.90 -1 -4 7 1.90 1.20 1 -4 -7 -0.50 1.30 -1 -4 7 -1.20 1.00 1 -4 -7 0.40 1.10 -1 -4 7 0.60 1.00 -1 -4 7 -0.40 1.30 -1 4 7 0.10 1.20 1 4 -7 0.80 0.90 1 4 -7 -2.20 2.00 1 4 -7 -0.40 1.30 1 4 -7 0.60 0.90 -1 4 7 -1.10 1.60 -1 4 7 0.30 1.20 1 4 -7 3.50 1.40 1 4 -7 0.40 1.10 -1 4 7 1.10 1.40 0 -4 -7 11.50 1.90 0 -4 7 8.50 1.80 0 -4 -7 7.60 1.80 0 -4 -7 7.40 1.50 0 -4 7 11.30 2.00 0 -4 -7 8.80 1.70 0 -4 -7 5.40 1.70 0 -4 7 11.40 2.30 0 -4 7 6.90 1.90 0 4 -7 7.00 1.40 0 4 7 8.70 1.90 0 4 -7 9.20 1.80 0 4 -7 6.50 2.20 0 4 7 3.10 2.20 0 4 7 4.90 2.50 0 4 7 7.90 2.00 0 4 7 4.80 1.50 0 4 -7 7.20 1.90 0 4 -7 7.20 2.00 -1 -4 -7 308.77 12.80 1 -4 7 324.07 14.40 1 -4 7 298.07 11.90 1 -4 7 309.97 12.80 -1 -4 -7 322.67 13.20 -1 -4 -7 326.27 13.70 -1 -4 -7 322.27 13.10 -1 -4 -7 331.07 12.60 1 4 7 300.57 12.80 -1 4 -7 298.27 14.20 1 4 7 302.57 13.20 -1 4 -7 316.07 12.30 -1 4 -7 277.77 12.90 1 4 7 327.07 14.00 -1 4 -7 318.47 12.30 -2 -4 -7 42.50 3.30 2 -4 7 45.00 3.90 2 -4 7 46.10 3.90 -2 -4 -7 45.80 3.60 -2 -4 -7 41.00 4.00 2 -4 7 40.50 3.90 2 -4 7 44.80 4.00 -2 -4 -7 47.00 3.90 -2 -4 -7 40.30 4.50 2 4 7 44.70 4.40 -2 4 -7 45.70 3.20 2 4 7 36.30 3.60 2 4 7 41.50 3.70 2 4 7 46.30 3.50 -2 4 -7 40.90 3.10 -3 -4 -7 -0.40 1.40 3 -4 7 -0.10 0.90 3 -4 7 -0.80 1.00 3 -4 7 -0.40 1.20 3 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0.70 2 11 10 0.50 1.10 2 11 10 0.20 0.90 -3 -12 10 0.60 0.90 -3 -12 10 -0.80 0.90 3 12 -10 -0.50 1.00 3 12 -10 0.00 1.10 3 12 -10 0.10 0.80 2 -12 -10 -0.90 1.00 2 -12 -10 -2.30 1.80 -2 -12 10 -1.10 0.90 -2 -12 10 0.00 0.80 2 12 -10 1.60 1.00 2 12 -10 -0.70 1.50 2 12 -10 0.60 1.60 -1 -12 10 -0.30 0.80 1 -12 -10 4.00 1.60 1 -12 -10 -0.10 0.90 -1 -12 10 0.60 1.00 1 12 -10 -4.00 1.50 1 12 -10 -0.60 0.80 1 12 -10 -0.30 1.00 0 -12 10 0.90 0.90 0 -12 10 -0.20 0.90 0 -12 -10 1.50 1.30 0 12 -10 2.60 1.20 0 12 -10 -0.40 0.90 1 -12 10 5.50 1.30 1 -12 10 5.60 1.30 -1 -12 -10 7.00 1.50 1 -12 10 3.90 1.70 1 12 10 9.40 1.50 -1 12 -10 8.90 1.50 -1 12 -10 6.50 1.40 1 12 10 10.50 1.60 3 -13 -10 -1.20 1.00 -3 -13 10 1.10 0.90 -3 -13 10 0.90 1.00 3 13 -10 -0.10 0.80 3 13 -10 0.20 1.00 3 13 -10 0.70 0.80 2 -13 -10 -1.70 1.10 -2 -13 10 0.70 1.10 -2 -13 10 1.80 1.10 2 -13 -10 -0.70 1.20 2 13 -10 1.30 0.80 2 13 -10 3.80 1.30 2 13 -10 1.50 1.00 1 -13 -10 -0.60 1.50 -1 -13 10 1.40 1.00 1 -13 -10 2.20 1.10 -1 -13 10 1.10 1.00 1 13 -10 1.40 0.90 1 13 -10 2.30 1.00 0 -13 -10 3.50 1.40 0 -13 10 1.20 1.00 0 -13 10 3.20 1.40 0 13 10 1.20 1.40 0 13 -10 1.90 1.20 0 13 -10 4.90 1.30 1 -13 10 19.90 2.20 -1 -13 -10 20.40 2.20 1 -13 10 16.70 2.10 -1 13 -10 15.50 2.20 -1 13 -10 17.40 2.30 1 13 10 12.10 1.90 -2 -14 10 3.70 1.60 2 -14 -10 6.10 1.40 -2 -14 10 2.40 1.00 2 14 -10 5.20 1.10 2 14 -10 4.60 1.10 2 14 -10 3.60 1.90 -1 -14 10 3.60 1.10 1 -14 -10 1.50 1.00 1 -14 -10 3.90 1.30 -1 -14 10 6.10 1.50 1 14 -10 3.30 1.10 1 14 -10 6.30 1.10 0 -14 10 2.30 1.00 0 -14 -10 3.10 1.20 0 -14 10 2.20 1.10 0 14 10 1.70 1.00 0 14 -10 1.70 1.00 0 14 10 3.60 1.40 0 14 -10 3.60 1.10 -2 -15 10 0.50 0.80 2 15 -10 4.50 1.10 1 -15 -10 17.40 2.60 -1 -15 10 11.50 1.90 1 -15 -10 7.70 1.60 1 15 -10 10.40 1.60 1 15 -10 11.20 1.90 0 -15 -10 11.00 2.00 0 -15 10 15.90 2.50 0 15 -10 11.70 2.20 -3 0 11 -2.20 1.20 3 0 -11 1.20 1.30 3 0 -11 0.40 1.10 3 0 -11 -0.10 0.90 2 0 -11 -1.20 0.80 2 0 -11 -0.20 1.00 2 0 -11 -0.30 0.90 2 0 -11 -0.90 0.90 -2 0 11 0.80 1.00 1 0 -11 1.10 1.10 1 0 -11 0.50 0.90 1 0 -11 0.80 1.00 -1 0 11 1.70 1.30 1 0 -11 1.30 1.30 0 0 -11 -1.10 0.90 0 0 11 -1.10 0.90 0 0 11 1.00 1.00 0 0 -11 0.00 1.10 0 0 11 0.80 1.10 0 0 -11 -1.40 0.90 0 0 -11 0.00 1.00 1 0 11 0.00 1.10 -1 0 -11 0.80 0.90 -1 0 -11 -0.80 0.90 1 0 11 -0.80 1.00 -1 0 -11 -0.50 0.90 1 0 11 0.30 0.80 3 -1 -11 -0.40 0.80 3 -1 -11 -1.20 1.30 3 -1 -11 -0.10 1.20 -3 -1 11 -0.30 1.40 3 1 -11 -3.30 1.40 -3 1 11 -2.80 1.00 3 1 -11 -0.30 0.80 3 1 -11 -0.30 1.00 2 -1 -11 16.70 2.20 2 -1 -11 14.80 2.00 2 -1 -11 14.60 2.50 2 1 -11 14.90 1.90 2 1 -11 15.50 2.00 2 1 -11 18.00 2.50 1 -1 -11 11.60 1.90 1 -1 -11 9.50 1.70 -1 -1 11 13.50 2.20 -1 -1 11 12.10 2.00 1 -1 -11 12.70 2.00 1 -1 -11 15.10 2.50 -1 1 11 16.40 2.40 1 1 -11 12.90 2.00 1 1 -11 17.70 2.50 1 1 -11 11.00 1.90 1 1 -11 16.70 2.50 0 -1 11 3.60 1.30 0 -1 11 2.30 1.10 0 -1 -11 2.90 1.30 0 -1 11 2.40 1.10 0 -1 -11 2.90 1.30 0 -1 -11 5.90 1.50 0 -1 -11 3.90 1.10 0 1 -11 2.40 1.70 0 1 11 1.00 1.30 0 1 -11 4.90 1.10 0 1 11 2.60 1.20 0 1 -11 3.10 1.20 0 1 -11 3.50 1.10 0 1 11 3.80 1.30 -1 -1 -11 1.90 0.90 -1 -1 -11 4.50 1.30 1 -1 11 3.40 1.80 -1 -1 -11 3.30 1.20 1 -1 11 2.30 1.20 1 -1 11 2.70 1.00 -1 1 -11 3.80 0.90 -1 1 -11 3.10 1.10 1 1 11 3.00 1.20 1 1 11 2.90 1.00 1 1 11 1.10 0.90 3 -2 -11 13.60 2.10 -3 -2 11 19.80 2.30 3 2 -11 15.10 2.10 3 2 -11 11.50 1.90 3 2 -11 15.10 1.90 2 -2 -11 10.70 2.00 2 -2 -11 7.50 1.50 2 -2 -11 10.90 1.90 -2 -2 11 4.10 1.30 2 -2 -11 11.20 2.00 2 2 -11 9.60 1.60 -2 2 11 5.90 1.40 2 2 -11 5.70 1.20 2 2 -11 5.70 1.30 1 -2 -11 10.30 1.80 1 -2 -11 10.50 1.80 -1 -2 11 5.60 1.30 -1 -2 11 3.60 1.20 1 -2 -11 7.40 1.70 1 -2 -11 6.40 1.40 1 2 -11 6.20 1.40 1 2 -11 7.90 1.30 1 2 -11 7.30 1.70 -1 2 11 4.10 1.50 1 2 -11 8.30 1.70 0 -2 -11 -0.70 0.90 0 -2 11 -1.40 0.90 0 -2 11 -0.90 0.90 0 -2 -11 -0.60 1.10 0 -2 -11 2.40 1.20 0 -2 11 -0.80 0.90 0 -2 -11 -0.70 0.90 0 2 -11 0.20 1.40 0 2 -11 -0.70 0.90 0 2 11 -0.80 0.90 0 2 -11 0.50 1.00 0 2 -11 0.70 0.90 0 2 11 -0.60 0.80 1 -2 11 0.40 0.90 1 -2 11 0.10 1.40 -1 -2 -11 -0.20 0.80 -1 -2 -11 -0.50 0.90 -1 -2 -11 -1.40 0.90 1 -2 11 0.50 0.90 1 2 11 -1.40 0.80 -1 2 -11 -0.70 0.80 1 2 11 -0.20 1.00 -1 2 -11 -1.80 0.90 -1 2 -11 0.60 1.00 1 2 11 -3.40 1.20 -3 -3 11 1.60 1.00 -3 -3 11 -0.50 1.10 3 -3 -11 0.00 1.00 3 3 -11 -0.40 0.90 3 3 -11 0.30 0.80 3 3 -11 0.60 1.10 2 -3 -11 4.30 1.10 -2 -3 11 4.90 1.50 -2 -3 11 4.40 1.40 2 -3 -11 7.60 1.80 2 3 -11 6.80 1.20 2 3 -11 8.40 1.60 -2 3 11 3.60 1.50 1 -3 -11 1.00 1.00 1 -3 -11 2.20 1.10 1 -3 -11 0.40 1.00 1 -3 -11 0.40 1.20 -1 -3 11 1.40 1.20 -1 -3 11 4.10 1.20 -1 -3 11 1.80 1.00 1 3 -11 1.70 1.00 1 3 -11 2.10 1.20 1 3 -11 1.50 1.10 -1 3 11 3.20 1.30 0 -3 -11 0.40 0.90 0 -3 11 -0.10 1.00 0 -3 11 1.80 1.20 0 -3 -11 0.80 1.00 0 -3 -11 0.70 1.10 0 -3 11 0.10 1.00 0 -3 -11 0.60 1.10 0 3 11 -0.40 0.80 0 3 -11 0.40 1.30 0 3 -11 0.40 0.80 0 3 -11 1.10 1.00 0 3 -11 0.40 1.00 0 3 11 0.40 0.90 1 -3 11 1.90 0.90 -1 -3 -11 -0.60 0.90 1 -3 11 -0.60 0.70 1 -3 11 -1.20 0.80 -1 -3 -11 0.00 0.80 -1 -3 -11 0.50 1.00 1 3 11 -0.90 0.80 -1 3 -11 0.90 1.00 1 3 11 -0.80 0.80 -1 3 -11 -1.00 0.90 -1 3 -11 -0.60 0.80 3 -4 -11 0.80 0.90 -3 -4 11 2.40 1.10 3 4 -11 1.00 1.10 3 4 -11 1.00 1.10 3 4 -11 0.20 1.20 3 4 -11 1.90 0.90 -2 -4 11 22.20 2.60 2 -4 -11 23.30 2.40 2 -4 -11 27.80 2.70 -2 -4 11 26.50 2.40 2 4 -11 27.30 2.70 2 4 -11 25.30 2.50 2 4 -11 27.60 2.40 -1 -4 11 5.60 1.30 -1 -4 11 5.50 1.60 1 -4 -11 5.90 1.60 -1 -4 11 4.70 1.40 1 -4 -11 3.80 1.10 1 -4 -11 3.30 1.20 1 -4 -11 6.10 1.30 1 4 -11 8.10 1.50 1 4 -11 6.40 1.70 1 4 -11 4.10 1.20 0 -4 11 -1.50 1.00 0 -4 -11 -0.50 0.90 0 -4 -11 -1.50 1.00 0 -4 11 -1.70 0.80 0 -4 -11 0.20 1.00 0 -4 11 -0.20 0.80 0 4 -11 -1.20 1.10 0 4 11 -0.80 0.80 0 4 -11 -0.60 0.90 0 4 11 0.30 1.00 0 4 -11 0.50 0.90 -1 -4 -11 0.10 1.00 -1 -4 -11 0.10 0.80 1 -4 11 0.00 0.80 -1 -4 -11 0.20 0.80 1 -4 11 -1.10 1.00 1 4 11 -0.40 0.80 -1 4 -11 1.10 0.90 -1 4 -11 -0.20 0.90 1 4 11 -0.10 0.80 -1 4 -11 1.30 1.40 3 -5 -11 5.30 1.20 -3 -5 11 7.90 1.40 -3 -5 11 5.10 1.20 3 5 -11 7.50 1.50 3 5 -11 4.30 1.30 -2 -5 11 21.90 3.50 -2 -5 11 19.90 2.60 2 -5 -11 21.80 2.40 2 -5 -11 26.40 2.80 -2 -5 11 16.80 2.40 2 -5 -11 27.80 3.40 2 5 -11 25.80 2.60 2 5 -11 26.70 2.30 2 5 -11 27.00 2.50 -1 -5 11 6.70 1.40 1 -5 -11 6.60 1.30 1 -5 -11 12.30 2.10 -1 -5 11 7.80 1.60 1 -5 -11 4.50 1.30 1 5 -11 11.50 1.90 1 5 -11 12.20 2.10 1 5 -11 8.70 2.00 0 -5 -11 -0.20 1.00 0 -5 11 2.90 1.20 0 -5 11 1.30 0.90 0 -5 -11 0.90 1.10 0 -5 11 1.20 1.70 0 -5 -11 -0.90 0.90 0 5 -11 1.90 1.00 0 5 -11 -1.20 1.90 0 5 -11 1.00 1.00 0 5 11 -0.40 0.80 0 5 11 1.30 0.90 1 -5 11 1.10 1.30 1 -5 11 3.10 1.30 -1 -5 -11 2.40 1.00 -1 -5 -11 4.60 1.50 -1 -5 -11 2.00 1.10 1 -5 11 2.50 1.10 1 -5 11 2.40 1.20 -1 5 -11 4.80 1.80 -1 5 -11 3.10 1.00 1 5 11 2.20 0.90 1 5 11 1.50 1.00 -1 5 -11 2.00 0.90 -3 -6 11 0.80 1.00 3 -6 -11 1.10 1.00 3 6 -11 1.10 1.50 3 6 -11 1.10 0.80 2 -6 -11 0.00 1.30 2 -6 -11 1.30 1.00 -2 -6 11 1.80 1.10 -2 -6 11 -0.30 0.90 2 6 -11 0.20 0.90 2 6 -11 -0.30 0.70 2 6 -11 -1.90 1.30 -1 -6 11 1.80 1.50 1 -6 -11 4.10 1.10 -1 -6 11 4.80 1.40 1 -6 -11 7.20 1.60 1 -6 -11 5.30 1.40 1 6 -11 2.20 1.00 1 6 -11 4.00 1.10 1 6 -11 3.70 1.30 0 -6 -11 0.20 0.90 0 -6 -11 0.60 0.90 0 -6 11 0.30 0.80 0 -6 11 0.20 1.60 0 -6 11 -0.80 1.00 0 -6 -11 0.90 1.10 0 6 -11 -0.20 0.90 0 6 -11 -0.20 0.80 0 6 11 -0.90 0.80 2 -7 -11 2.60 1.10 -2 -7 11 7.00 2.10 -2 -7 11 2.20 1.00 2 -7 -11 3.40 1.00 2 7 -11 3.70 1.10 2 7 -11 3.90 1.20 -1 -7 11 3.30 1.30 1 -7 -11 3.40 1.20 1 -7 -11 2.60 1.20 -1 -7 11 4.30 1.20 1 -7 -11 5.30 1.30 1 7 -11 4.50 1.20 1 7 -11 4.30 1.30 1 7 -11 2.40 1.00 0 -7 11 -3.30 1.30 0 -7 11 1.10 1.00 0 -7 11 -0.60 1.00 0 -7 -11 -1.20 0.90 0 -7 -11 -0.20 0.90 0 -7 11 -0.50 0.90 0 7 11 -1.20 0.80 0 7 11 0.10 0.80 0 7 -11 -0.80 0.90 0 7 -11 -1.00 0.70 2 -8 -11 32.00 2.80 -2 -8 11 33.20 2.90 2 8 -11 33.10 2.30 2 8 -11 32.80 2.60 2 8 -11 29.80 2.70 -1 -8 11 16.90 2.00 -1 -8 11 14.80 2.60 1 -8 -11 18.10 2.20 1 8 -11 22.50 2.00 1 8 -11 14.50 3.00 1 8 -11 20.10 2.10 0 -8 -11 1.00 1.00 0 -8 -11 1.30 1.10 0 -8 11 -0.20 1.10 0 -8 11 -0.70 0.80 0 -8 11 3.40 1.30 0 8 11 0.00 1.00 0 8 11 0.50 0.70 0 8 -11 -0.20 0.80 0 8 -11 0.30 1.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 11748 _shelx_res_file ; TITL SM13_a.res in P2(1)/c shelx.res created by SHELXL-2018/3 at 17:05:47 on 06-Apr-2023 CELL 1.54178 7.9588 25.9840 9.5178 90.000 96.853 90.000 ZERR 4.00 0.0001 0.0004 0.0002 0.000 0.001 0.000 LATT 1 SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H N O F S UNIT 88 64 4 8 4 8 MERG 2 DFIX 0.86 0.02 N1 H1N DFIX 1.73 0.02 C6 S1' C1 S1 DFIX 1.43 0.02 C6 C7 C1 C7' DFIX 1.74 0.02 S1 C8 S1' C8' DFIX 1.36 0.02 C8 C7 C8' C7' DFIX 1.44 0.02 C8 C9 C8' C9 HTAB C15 O1 EQIV $1 x, -y+1/2, z-1/2 HTAB C22 F1_$1 EQIV $2 -x+1, -y+1, -z HTAB N1 O2_$2 FMAP 2 PLAN 20 SIZE 0.080 0.100 0.150 ACTA BOND $H CONF L.S. 5 TEMP 24.00 WGHT 0.049600 0.784600 FVAR 0.57224 0.24258 AFIX 66 C1 1 0.714065 0.644160 0.532758 11.00000 0.09885 0.07235 = 0.06874 -0.00236 0.03179 -0.02130 C2 1 0.674322 0.695569 0.505520 11.00000 0.13226 0.08387 = 0.10264 0.02042 0.02307 -0.01450 AFIX 43 H2 2 0.611424 0.704923 0.420704 11.00000 -1.20000 AFIX 65 C3 1 0.728587 0.732997 0.605048 11.00000 0.13549 0.06209 = 0.14925 -0.00140 0.05242 -0.01540 AFIX 43 H3 2 0.701996 0.767393 0.586823 11.00000 -1.20000 AFIX 65 C4 1 0.822596 0.719017 0.731816 11.00000 0.13507 0.08057 = 0.12632 -0.03368 0.05384 -0.03123 AFIX 43 H4 2 0.858902 0.744059 0.798407 11.00000 -1.20000 AFIX 65 C5 1 0.862340 0.667608 0.759056 11.00000 0.12358 0.09939 = 0.08294 -0.02014 0.01387 -0.02398 AFIX 43 H5 2 0.925238 0.658254 0.843872 11.00000 -1.20000 AFIX 65 C6 1 0.808075 0.630179 0.659528 11.00000 0.09287 0.07062 = 0.07658 -0.00800 0.02525 -0.01226 PART 1 AFIX 0 S1' 6 0.866876 0.568324 0.710527 21.00000 0.10431 0.07671 = 0.07373 -0.00585 0.00362 -0.01276 C7' 1 0.709058 0.590192 0.467878 21.00000 0.12721 0.12057 = 0.05940 -0.01602 0.00107 -0.06893 AFIX 43 H7' 2 0.649984 0.584659 0.378833 21.00000 -1.20000 AFIX 0 C8' 1 0.789935 0.550378 0.539001 21.00000 0.04510 0.06005 = 0.05048 0.00118 0.01664 -0.00403 PART 2 S1 6 0.651159 0.595086 0.419503 -21.00000 0.10948 0.06073 = 0.05756 -0.00062 0.01092 -0.00787 C7 1 0.828204 0.575753 0.652607 -21.00000 0.11129 0.07714 = 0.07640 0.00050 -0.00992 0.00329 AFIX 43 H7 2 0.893320 0.557894 0.724278 -21.00000 -1.20000 AFIX 0 C8 1 0.749834 0.551112 0.538917 -21.00000 0.06537 0.06664 = 0.07118 -0.00319 0.01696 -0.00871 PART 0 C9 1 0.764441 0.496380 0.506432 11.00000 0.08960 0.06468 = 0.07118 0.00011 0.00682 0.00184 AFIX 43 H9 2 0.808242 0.474482 0.579001 11.00000 -1.20000 AFIX 0 C10 1 0.692154 0.472591 0.395348 11.00000 0.10281 0.05507 = 0.06320 0.00595 0.00547 -0.00218 AFIX 43 H10 2 0.632873 0.492988 0.325994 11.00000 -1.20000 AFIX 0 C11 1 0.693638 0.417106 0.367130 11.00000 0.08641 0.05159 = 0.06469 0.00858 0.01227 -0.00004 C12 1 0.775187 0.383256 0.467786 11.00000 0.14225 0.06736 = 0.07721 0.01386 -0.01115 -0.00112 AFIX 43 H12 2 0.829122 0.396833 0.551708 11.00000 -1.20000 AFIX 0 C13 1 0.778999 0.331082 0.448082 11.00000 0.14108 0.06512 = 0.09488 0.02960 -0.00464 0.00933 AFIX 43 H13 2 0.835045 0.309475 0.516146 11.00000 -1.20000 AFIX 0 C14 1 0.697996 0.312121 0.325624 11.00000 0.11363 0.04593 = 0.09297 0.01457 0.01863 0.00505 C15 1 0.614279 0.342146 0.223117 11.00000 0.08879 0.04715 = 0.07832 0.00649 0.01423 0.00223 AFIX 43 H15 2 0.557999 0.327509 0.141557 11.00000 -1.20000 AFIX 0 C16 1 0.614540 0.395326 0.242791 11.00000 0.06452 0.04573 = 0.06578 0.00828 0.01859 0.00252 C17 1 0.698323 0.404343 -0.085273 11.00000 0.05455 0.05019 = 0.05608 -0.00327 -0.00410 -0.00077 C18 1 0.805254 0.445963 -0.091188 11.00000 0.06545 0.06725 = 0.08713 -0.00914 0.00141 -0.01395 AFIX 43 H18 2 0.770751 0.478886 -0.069161 11.00000 -1.20000 AFIX 0 C19 1 0.963588 0.437655 -0.130302 11.00000 0.06711 0.11576 = 0.09354 -0.00391 0.00205 -0.02533 AFIX 43 H19 2 1.037422 0.465199 -0.134587 11.00000 -1.20000 AFIX 0 C20 1 1.013857 0.388925 -0.163194 11.00000 0.05618 0.14697 = 0.07964 -0.00359 0.00262 0.01200 AFIX 43 H20 2 1.121259 0.383777 -0.189882 11.00000 -1.20000 AFIX 0 C21 1 0.907239 0.348058 -0.156949 11.00000 0.07936 0.09646 = 0.09041 -0.00867 0.00985 0.02693 AFIX 43 H21 2 0.942294 0.315210 -0.179119 11.00000 -1.20000 AFIX 0 C22 1 0.748146 0.355376 -0.117946 11.00000 0.07241 0.05818 = 0.07525 -0.00498 0.00495 0.00773 AFIX 43 H22 2 0.675016 0.327657 -0.113642 11.00000 -1.20000 AFIX 0 N1 3 0.528281 0.427412 0.136808 11.00000 0.07450 0.04011 = 0.06997 0.00089 0.00812 0.00699 O1 4 0.406971 0.366425 -0.050584 11.00000 0.06130 0.04591 = 0.10079 -0.00279 -0.00608 -0.00871 O2 4 0.422354 0.459271 -0.096324 11.00000 0.07111 0.04366 = 0.08258 0.00154 -0.01113 0.00981 F1 5 0.697682 0.260496 0.303615 11.00000 0.17315 0.04542 = 0.13005 0.01892 0.00670 0.01259 S2 6 0.497378 0.413605 -0.031359 11.00000 0.05456 0.03786 = 0.07177 -0.00184 -0.00294 0.00112 H1N 2 0.544577 0.458745 0.146996 11.00000 -1.20000 HKLF 4 1.0 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 REM SM13_a.res in P2(1)/c REM wR2 = 0.1152, GooF = S = 1.032, Restrained GooF = 1.035 for all data REM R1 = 0.0415 for 2964 Fo > 4sig(Fo) and 0.0525 for all 3597 data REM 272 parameters refined using 11 restraints END WGHT 0.0493 0.7930 REM Highest difference peak 0.208, deepest hole -0.282, 1-sigma level 0.035 Q1 1 0.7231 0.6595 0.5409 11.00000 0.05 0.21 Q2 1 0.7700 0.7191 0.6599 11.00000 0.05 0.17 Q3 1 0.5123 0.4710 -0.1395 11.00000 0.05 0.16 Q4 1 0.6240 0.4105 -0.0491 11.00000 0.05 0.15 Q5 1 0.6532 0.4411 0.4043 11.00000 0.05 0.14 Q6 1 0.8105 0.6327 0.5683 11.00000 0.05 0.13 Q7 1 0.7539 0.4028 0.3869 11.00000 0.05 0.13 Q8 1 0.5826 0.5888 0.3636 11.00000 0.05 0.13 Q9 1 0.5406 0.4935 0.3403 11.00000 0.05 0.13 Q10 1 0.8398 0.6931 0.7460 11.00000 0.05 0.12 Q11 1 0.4869 0.3701 -0.0096 11.00000 0.05 0.12 Q12 1 0.7367 0.4017 0.5760 11.00000 0.05 0.12 Q13 1 0.7242 0.4281 -0.0984 11.00000 0.05 0.12 Q14 1 0.7283 0.4939 0.2949 11.00000 0.05 0.12 Q15 1 0.6949 0.7114 0.5418 11.00000 0.05 0.12 Q16 1 0.8115 0.3532 -0.1907 11.00000 0.05 0.12 Q17 1 0.9041 0.4798 0.5704 11.00000 0.05 0.12 Q18 1 0.7560 0.5855 0.3656 11.00000 0.05 0.12 Q19 1 0.6290 0.3305 -0.2052 11.00000 0.05 0.11 Q20 1 0.8785 0.4384 -0.1575 11.00000 0.05 0.11 ; _shelx_res_checksum 19451 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C C1 0.7141(2) 0.64416(6) 0.53276(16) 0.0782(7) Uani d 1 . . C C2 0.6743(3) 0.69557(7) 0.5055(2) 0.1055(10) Uani d 1 A . H H2 0.611424 0.704923 0.420704 0.127 Uiso calc 1 . . C C3 0.7286(3) 0.73300(5) 0.6050(3) 0.1127(11) Uani d 1 A . H H3 0.701996 0.767393 0.586823 0.135 Uiso calc 1 . . C C4 0.8226(3) 0.71902(7) 0.7318(2) 0.1109(11) Uani d 1 A . H H4 0.858902 0.744059 0.798407 0.133 Uiso calc 1 . . C C5 0.8623(3) 0.66761(8) 0.75906(17) 0.1018(9) Uani d 1 A . H H5 0.925238 0.658254 0.843872 0.122 Uiso calc 1 . . C C6 0.8081(2) 0.63018(5) 0.65953(18) 0.0788(7) Uani d 1 A . S S1' 0.8669(7) 0.56832(19) 0.7105(5) 0.0855(14) Uani d 0.243(4) A 1 C C7' 0.709(3) 0.5902(6) 0.4679(19) 0.103(8) Uani d 0.243(4) A 1 H H7' 0.649984 0.584659 0.378833 0.124 Uiso calc 0.243(4) A 1 C C8' 0.790(5) 0.5504(7) 0.539(2) 0.051(5) Uani d 0.243(4) A 1 S S1 0.6512(2) 0.59509(5) 0.41950(14) 0.0758(4) Uani d 0.757(4) A 2 C C7 0.8282(9) 0.5758(2) 0.6526(7) 0.0900(18) Uani d 0.757(4) A 2 H H7 0.893320 0.557894 0.724278 0.108 Uiso calc 0.757(4) A 2 C C8 0.7498(15) 0.5511(3) 0.5389(9) 0.067(3) Uani d 0.757(4) A 2 C C9 0.7644(3) 0.49638(9) 0.5064(3) 0.0754(6) Uani d 1 . . H H9 0.808242 0.474482 0.579001 0.090 Uiso calc 1 A 1 C C10 0.6922(3) 0.47259(9) 0.3953(3) 0.0741(6) Uani d 1 . . H H10 0.632873 0.492988 0.325994 0.089 Uiso calc 1 . . C C11 0.6936(3) 0.41711(8) 0.3671(2) 0.0673(6) Uani d 1 . . C C12 0.7752(4) 0.38326(10) 0.4678(3) 0.0976(9) Uani d 1 . . H H12 0.829122 0.396833 0.551708 0.117 Uiso calc 1 . . C C13 0.7790(5) 0.33108(10) 0.4481(3) 0.1019(10) Uani d 1 . . H H13 0.835045 0.309475 0.516146 0.122 Uiso calc 1 . . C C14 0.6980(4) 0.31212(9) 0.3256(3) 0.0837(7) Uani d 1 . . C C15 0.6143(3) 0.34215(8) 0.2231(3) 0.0711(6) Uani d 1 . . H H15 0.557999 0.327509 0.141557 0.085 Uiso calc 1 . . C C16 0.6145(3) 0.39533(7) 0.2428(2) 0.0578(5) Uani d 1 . . C C17 0.6983(2) 0.40434(7) -0.0853(2) 0.0545(5) Uani d 1 . . C C18 0.8053(3) 0.44596(9) -0.0912(3) 0.0739(6) Uani d 1 . . H H18 0.770751 0.478886 -0.069161 0.089 Uiso calc 1 . . C C19 0.9636(3) 0.43766(13) -0.1303(3) 0.0927(8) Uani d 1 . . H H19 1.037422 0.465199 -0.134587 0.111 Uiso calc 1 . . C C20 1.0139(3) 0.38892(15) -0.1632(3) 0.0947(9) Uani d 1 . . H H20 1.121259 0.383777 -0.189882 0.114 Uiso calc 1 . . C C21 0.9072(4) 0.34806(12) -0.1569(3) 0.0888(8) Uani d 1 . . H H21 0.942294 0.315210 -0.179119 0.107 Uiso calc 1 . . C C22 0.7481(3) 0.35538(9) -0.1179(2) 0.0689(6) Uani d 1 . . H H22 0.675016 0.327657 -0.113642 0.083 Uiso calc 1 . . N N1 0.5283(2) 0.42741(6) 0.1368(2) 0.0616(4) Uani d 1 . . O O1 0.40697(18) 0.36642(5) -0.05058(18) 0.0706(4) Uani d 1 . . O O2 0.42235(19) 0.45927(5) -0.09632(17) 0.0674(4) Uani d 1 . . F F1 0.6977(3) 0.26050(5) 0.3036(2) 0.1171(6) Uani d 1 . . S S2 0.49738(6) 0.41360(2) -0.03136(6) 0.05557(17) Uani d 1 . . H H1N 0.545(3) 0.4587(6) 0.147(2) 0.067 Uiso d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 0.0989(18) 0.0723(15) 0.0687(14) -0.0213(13) 0.0318(13) -0.0024(12) C2 0.132(3) 0.0839(19) 0.103(2) -0.0145(18) 0.0231(19) 0.0204(17) C3 0.135(3) 0.0621(16) 0.149(3) -0.0154(17) 0.052(3) -0.0014(19) C4 0.135(3) 0.081(2) 0.126(3) -0.0312(19) 0.054(2) -0.0337(19) C5 0.124(2) 0.099(2) 0.0829(18) -0.0240(19) 0.0139(17) -0.0201(16) C6 0.0929(17) 0.0706(15) 0.0766(16) -0.0123(13) 0.0252(13) -0.0080(12) S1' 0.104(3) 0.077(2) 0.074(3) -0.0128(19) 0.004(2) -0.0059(19) C7' 0.127(16) 0.121(16) 0.059(10) -0.069(13) 0.001(8) -0.016(10) C8' 0.045(12) 0.060(8) 0.050(8) -0.004(5) 0.017(5) 0.001(6) S1 0.1095(10) 0.0607(5) 0.0576(8) -0.0079(5) 0.0109(6) -0.0006(4) C7 0.111(4) 0.077(3) 0.076(4) 0.003(2) -0.010(3) 0.000(3) C8 0.065(6) 0.067(3) 0.071(3) -0.009(2) 0.017(2) -0.003(2) C9 0.0896(17) 0.0647(14) 0.0712(14) 0.0018(12) 0.0068(12) 0.0001(11) C10 0.1028(18) 0.0551(12) 0.0632(13) -0.0022(12) 0.0055(12) 0.0060(10) C11 0.0864(15) 0.0516(11) 0.0647(13) 0.0000(10) 0.0123(11) 0.0086(10) C12 0.142(3) 0.0674(16) 0.0772(17) -0.0011(16) -0.0111(17) 0.0139(13) C13 0.141(3) 0.0651(16) 0.095(2) 0.0093(16) -0.0046(19) 0.0296(15) C14 0.114(2) 0.0459(12) 0.0930(19) 0.0051(12) 0.0186(16) 0.0146(12) C15 0.0888(16) 0.0472(11) 0.0783(15) 0.0022(11) 0.0142(12) 0.0065(10) C16 0.0645(12) 0.0457(10) 0.0658(12) 0.0025(9) 0.0186(10) 0.0083(9) C17 0.0545(10) 0.0502(10) 0.0561(11) -0.0008(8) -0.0041(8) -0.0033(8) C18 0.0654(13) 0.0673(14) 0.0871(16) -0.0139(11) 0.0014(12) -0.0091(12) C19 0.0671(15) 0.116(2) 0.0935(19) -0.0253(16) 0.0020(14) -0.0039(17) C20 0.0562(14) 0.147(3) 0.0796(17) 0.0120(17) 0.0026(12) -0.0036(18) C21 0.0794(17) 0.096(2) 0.0904(19) 0.0269(15) 0.0098(14) -0.0087(15) C22 0.0724(14) 0.0582(12) 0.0752(14) 0.0077(10) 0.0049(11) -0.0050(11) N1 0.0745(11) 0.0401(8) 0.0700(11) 0.0070(8) 0.0081(9) 0.0009(8) O1 0.0613(8) 0.0459(7) 0.1008(12) -0.0087(6) -0.0061(8) -0.0028(7) O2 0.0711(9) 0.0437(7) 0.0826(10) 0.0098(6) -0.0111(7) 0.0015(7) F1 0.1731(17) 0.0454(8) 0.1300(14) 0.0126(9) 0.0067(12) 0.0189(8) S2 0.0546(3) 0.0379(2) 0.0718(3) 0.00112(18) -0.0029(2) -0.0018(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _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 C1 C6 . . 120.0 ? C2 C1 C7' . . 144.2(7) ? C6 C1 C7' . . 95.5(7) ? C2 C1 S1 . . 123.88(12) ? C6 C1 S1 . . 116.11(12) ? C3 C2 C1 . . 120.0 ? C3 C2 H2 . . 120.0 ? C1 C2 H2 . . 120.0 ? C2 C3 C4 . . 120.0 ? C2 C3 H3 . . 120.0 ? C4 C3 H3 . . 120.0 ? C5 C4 C3 . . 120.0 ? C5 C4 H4 . . 120.0 ? C3 C4 H4 . . 120.0 ? C4 C5 C6 . . 120.0 ? C4 C5 H5 . . 120.0 ? C6 C5 H5 . . 120.0 ? C5 C6 C1 . . 120.0 ? C5 C6 C7 . . 134.3(3) ? C1 C6 C7 . . 105.7(3) ? C5 C6 S1' . . 114.1(2) ? C1 C6 S1' . . 125.9(2) ? C6 S1' C8' . . 86.1(6) ? C8' C7' C1 . . 120.6(13) ? C8' C7' H7' . . 119.7 ? C1 C7' H7' . . 119.7 ? C7' C8' C9 . . 126.0(15) ? C7' C8' S1' . . 110.9(13) ? C9 C8' S1' . . 119.1(13) ? C1 S1 C8 . . 90.1(2) ? C8 C7 C6 . . 117.7(6) ? C8 C7 H7 . . 121.1 ? C6 C7 H7 . . 121.1 ? C7 C8 C9 . . 126.3(6) ? C7 C8 S1 . . 110.1(5) ? C9 C8 S1 . . 122.9(5) ? C10 C9 C8' . . 132.4(8) ? C10 C9 C8 . . 126.6(4) ? C10 C9 H9 . . 113.8 ? C8' C9 H9 . . 113.8 ? C9 C10 C11 . . 127.2(2) ? C9 C10 H10 . . 116.4 ? C11 C10 H10 . . 116.4 ? C16 C11 C12 . . 116.8(2) ? C16 C11 C10 . . 122.8(2) ? C12 C11 C10 . . 120.3(2) ? C13 C12 C11 . . 122.9(3) ? C13 C12 H12 . . 118.5 ? C11 C12 H12 . . 118.5 ? C14 C13 C12 . . 117.5(3) ? C14 C13 H13 . . 121.3 ? C12 C13 H13 . . 121.3 ? C13 C14 F1 . . 118.9(2) ? C13 C14 C15 . . 123.4(2) ? F1 C14 C15 . . 117.7(3) ? C14 C15 C16 . . 118.6(2) ? C14 C15 H15 . . 120.7 ? C16 C15 H15 . . 120.7 ? C11 C16 C15 . . 120.7(2) ? C11 C16 N1 . . 119.74(18) ? C15 C16 N1 . . 119.6(2) ? C22 C17 C18 . . 121.2(2) ? C22 C17 S2 . . 119.30(17) ? C18 C17 S2 . . 119.49(17) ? C19 C18 C17 . . 118.5(2) ? C19 C18 H18 . . 120.7 ? C17 C18 H18 . . 120.7 ? C18 C19 C20 . . 120.5(3) ? C18 C19 H19 . . 119.7 ? C20 C19 H19 . . 119.7 ? C21 C20 C19 . . 120.5(3) ? C21 C20 H20 . . 119.8 ? C19 C20 H20 . . 119.8 ? C20 C21 C22 . . 120.1(3) ? C20 C21 H21 . . 119.9 ? C22 C21 H21 . . 119.9 ? C21 C22 C17 . . 119.2(2) ? C21 C22 H22 . . 120.4 ? C17 C22 H22 . . 120.4 ? C16 N1 S2 . . 124.85(14) ? C16 N1 H1N . . 116.0(16) ? S2 N1 H1N . . 109.5(16) ? O1 S2 O2 . . 118.64(9) ? O1 S2 N1 . . 109.32(10) ? O2 S2 N1 . . 104.32(9) ? O1 S2 C17 . . 108.01(9) ? O2 S2 C17 . . 109.55(10) ? N1 S2 C17 . . 106.35(9) ? 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 C1 C2 . 1.3900 ? C1 C6 . 1.3900 ? C1 C7' . 1.531(14) ? C1 S1 . 1.7058(18) ? C2 C3 . 1.3900 ? C2 H2 . 0.9300 ? C3 C4 . 1.3900 ? C3 H3 . 0.9300 ? C4 C5 . 1.3900 ? C4 H4 . 0.9300 ? C5 C6 . 1.3900 ? C5 H5 . 0.9300 ? C6 C7 . 1.426(6) ? C6 S1' . 1.727(5) ? S1' C8' . 1.738(17) ? C7' C8' . 1.356(18) ? C7' H7' . 0.9300 ? C8' C9 . 1.446(17) ? S1 C8 . 1.732(7) ? C7 C8 . 1.345(8) ? C7 H7 . 0.9300 ? C8 C9 . 1.463(7) ? C9 C10 . 1.298(3) ? C9 H9 . 0.9300 ? C10 C11 . 1.467(3) ? C10 H10 . 0.9300 ? C11 C16 . 1.393(3) ? C11 C12 . 1.402(3) ? C12 C13 . 1.369(4) ? C12 H12 . 0.9300 ? C13 C14 . 1.356(4) ? C13 H13 . 0.9300 ? C14 F1 . 1.358(3) ? C14 C15 . 1.360(3) ? C15 C16 . 1.394(3) ? C15 H15 . 0.9300 ? C16 N1 . 1.421(3) ? C17 C22 . 1.379(3) ? C17 C18 . 1.381(3) ? C17 S2 . 1.754(2) ? C18 C19 . 1.373(4) ? C18 H18 . 0.9300 ? C19 C20 . 1.375(4) ? C19 H19 . 0.9300 ? C20 C21 . 1.365(4) ? C20 H20 . 0.9300 ? C21 C22 . 1.375(4) ? C21 H21 . 0.9300 ? C22 H22 . 0.9300 ? N1 S2 . 1.6301(19) ? N1 H1N . 0.828(16) ? O1 S2 . 1.4222(14) ? O2 S2 . 1.4348(14) ? 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 C15 H15 O1 . 0.93 2.30 2.980(3) 129.6 yes C10 H10 02 3_665 0.93 2.51 3.383(3) 157 yes N1 H1N O2 3_665 0.828(16) 2.207(17) 3.001(2) 161(2) yes C22 H22 F1 4_565 0.93 2.44 3.116(3) 130.0 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 C6 C1 C2 C3 . . . . 0.0 ? C7' C1 C2 C3 . . . . -171.5(14) ? S1 C1 C2 C3 . . . . 178.91(16) ? C1 C2 C3 C4 . . . . 0.0 ? C2 C3 C4 C5 . . . . 0.0 ? C3 C4 C5 C6 . . . . 0.0 ? C4 C5 C6 C1 . . . . 0.0 ? C4 C5 C6 C7 . . . . 178.8(4) ? C4 C5 C6 S1' . . . . -179.6(2) ? C2 C1 C6 C5 . . . . 0.0 ? C7' C1 C6 C5 . . . . 175.0(8) ? S1 C1 C6 C5 . . . . -178.99(15) ? C2 C1 C6 C7 . . . . -179.1(3) ? S1 C1 C6 C7 . . . . 1.9(3) ? C2 C1 C6 S1' . . . . 179.5(3) ? C7' C1 C6 S1' . . . . -5.5(8) ? C5 C6 S1' C8' . . . . -171.8(13) ? C1 C6 S1' C8' . . . . 8.7(14) ? C2 C1 C7' C8' . . . . 171(2) ? C6 C1 C7' C8' . . . . -2(3) ? C1 C7' C8' C9 . . . . 165(2) ? C1 C7' C8' S1' . . . . 8(4) ? C6 S1' C8' C7' . . . . -8(2) ? C6 S1' C8' C9 . . . . -167(3) ? C2 C1 S1 C8 . . . . -178.8(5) ? C6 C1 S1 C8 . . . . 0.1(5) ? C5 C6 C7 C8 . . . . 177.3(7) ? C1 C6 C7 C8 . . . . -3.8(9) ? C6 C7 C8 C9 . . . . 175.1(8) ? C6 C7 C8 S1 . . . . 4.0(11) ? C1 S1 C8 C7 . . . . -2.2(8) ? C1 S1 C8 C9 . . . . -173.7(9) ? C7' C8' C9 C10 . . . . 15(5) ? S1' C8' C9 C10 . . . . 170.8(10) ? C7 C8 C9 C10 . . . . -178.3(8) ? S1 C8 C9 C10 . . . . -8.4(13) ? C8' C9 C10 C11 . . . . 171(2) ? C8 C9 C10 C11 . . . . -174.3(7) ? C9 C10 C11 C16 . . . . -178.7(3) ? C9 C10 C11 C12 . . . . 2.1(4) ? C16 C11 C12 C13 . . . . -0.1(5) ? C10 C11 C12 C13 . . . . 179.2(3) ? C11 C12 C13 C14 . . . . -0.7(5) ? C12 C13 C14 F1 . . . . -179.2(3) ? C12 C13 C14 C15 . . . . -0.1(5) ? C13 C14 C15 C16 . . . . 1.5(4) ? F1 C14 C15 C16 . . . . -179.3(2) ? C12 C11 C16 C15 . . . . 1.6(4) ? C10 C11 C16 C15 . . . . -177.7(2) ? C12 C11 C16 N1 . . . . 179.5(2) ? C10 C11 C16 N1 . . . . 0.2(3) ? C14 C15 C16 C11 . . . . -2.3(4) ? C14 C15 C16 N1 . . . . 179.8(2) ? C22 C17 C18 C19 . . . . -0.1(4) ? S2 C17 C18 C19 . . . . 178.41(19) ? C17 C18 C19 C20 . . . . 0.2(4) ? C18 C19 C20 C21 . . . . -0.2(4) ? C19 C20 C21 C22 . . . . 0.2(4) ? C20 C21 C22 C17 . . . . -0.1(4) ? C18 C17 C22 C21 . . . . 0.0(4) ? S2 C17 C22 C21 . . . . -178.48(19) ? C11 C16 N1 S2 . . . . 153.99(18) ? C15 C16 N1 S2 . . . . -28.1(3) ? C16 N1 S2 O1 . . . . 58.1(2) ? C16 N1 S2 O2 . . . . -174.05(17) ? C16 N1 S2 C17 . . . . -58.28(19) ? C22 C17 S2 O1 . . . . -8.2(2) ? C18 C17 S2 O1 . . . . 173.24(18) ? C22 C17 S2 O2 . . . . -138.77(17) ? C18 C17 S2 O2 . . . . 42.7(2) ? C22 C17 S2 N1 . . . . 109.03(18) ? C18 C17 S2 N1 . . . . -69.51(19) ? _cod_database_fobs_code 2022823