#------------------------------------------------------------------------------ #$Date: 2020-01-29 08:22:25 +0200 (Wed, 29 Jan 2020) $ #$Revision: 247340 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/71/1557177.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_1557177 loop_ _publ_author_name 'Giltzau, Niels Ole' 'K\"ockerling, Martin' _publ_section_title ; Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II) ; _journal_coeditor_code WM4120 _journal_issue 1 _journal_name_full IUCrData _journal_page_first x200023 _journal_paper_doi 10.1107/S2414314620000231 _journal_volume 5 _journal_year 2020 _chemical_formula_iupac '[Co (C18 H37 N2)2 (N C S)4]' _chemical_formula_moiety 'C40 H74 Co N8 S4' _chemical_formula_sum 'C40 H74 Co N8 S4' _chemical_formula_weight 854.24 _chemical_melting_point 331 _chemical_name_systematic ; Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II) ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method 'form.cif (version 2.0)' _cell_angle_alpha 83.782(4) _cell_angle_beta 81.868(4) _cell_angle_gamma 71.189(4) _cell_formula_units_Z 1 _cell_length_a 7.4840(10) _cell_length_b 8.5870(10) _cell_length_c 18.523(2) _cell_measurement_reflns_used 4916 _cell_measurement_temperature 123(2) _cell_measurement_theta_max 23.6195 _cell_measurement_theta_min 2.5115 _cell_volume 1113.0(2) _computing_cell_refinement ; SAINT (Bruker, 2017) ; _computing_data_collection ; APEX2 (Bruker, 2017) ; _computing_data_reduction ; SAINT (Bruker, 2017) ; _computing_molecular_graphics ; DIAMOND (Brandenburg & Putz, 2019) ; _computing_publication_material ; publCIF (Westrip, 2010) ; _computing_structure_refinement ; SHELXS (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 123(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker Kappa APEXII CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_source 'sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0844 _diffrn_reflns_av_unetI/netI 0.0800 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 35032 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 30.532 _diffrn_reflns_theta_min 2.678 _exptl_absorpt_coefficient_mu 0.606 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2017) ; _exptl_crystal_colour blue _exptl_crystal_density_diffrn 1.275 _exptl_crystal_density_method none _exptl_crystal_description leaf _exptl_crystal_F_000 461 _exptl_crystal_size_max 0.170 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.050 _refine_diff_density_max 0.532 _refine_diff_density_min -0.646 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 241 _refine_ls_number_reflns 6802 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.043 _refine_ls_R_factor_all 0.0932 _refine_ls_R_factor_gt 0.0489 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0377P)^2^+0.2890P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0927 _refine_ls_wR_factor_ref 0.1064 _reflns_number_gt 4509 _reflns_number_total 6802 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file wm4120sup1.cif _cod_data_source_block I _cod_original_cell_volume 1112.9(2) _cod_database_code 1557177 _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 0.904 _shelx_estimated_absorpt_t_max 0.970 _shelx_hkl_file ; -1 0 0 12.70 2.10 -1 0 0 12.20 2.00 -1 0 0 11.40 1.90 -1 0 0 14.90 2.00 -1 0 0 13.00 1.70 -1 0 0 11.70 2.00 -1 0 0 13.10 2.10 -1 0 0 16.20 1.80 1 0 0 10.70 2.00 1 0 0 10.40 2.00 1 0 0 13.50 2.00 1 0 0 14.20 2.20 1 0 0 9.50 2.00 1 0 0 15.40 2.50 1 0 0 12.60 1.70 -2 0 0 13.90 3.50 -2 0 0 15.50 3.20 -2 0 0 16.20 3.10 -2 0 0 15.90 2.60 -2 0 0 15.40 3.60 -2 0 0 13.30 2.60 -2 0 0 16.40 3.40 -2 0 0 11.50 2.90 -2 0 0 15.10 3.20 2 0 0 15.00 3.10 2 0 0 12.90 3.20 2 0 0 14.50 3.20 2 0 0 13.90 3.20 2 0 0 18.60 3.70 2 0 0 17.80 3.80 2 0 0 16.60 2.80 -3 0 0 2.00 2.10 -3 0 0 5.80 3.50 -3 0 0 -0.90 2.90 -3 0 0 8.50 3.60 -3 0 0 1.40 2.70 -3 0 0 3.80 3.40 -3 0 0 6.00 2.80 -3 0 0 1.60 2.70 -3 0 0 1.80 2.80 -3 0 0 1.50 2.80 3 0 0 -1.20 2.70 3 0 0 3.00 3.30 3 0 0 1.90 3.30 3 0 0 1.30 2.40 3 0 0 3.40 3.10 3 0 0 2.90 3.50 3 0 0 -2.00 2.70 -4 0 0 382.76 15.00 -4 0 0 366.16 15.30 -4 0 0 377.86 16.50 4 0 0 395.16 17.00 4 0 0 381.16 15.40 4 0 0 399.56 17.60 4 0 0 394.46 17.50 4 0 0 404.46 17.40 4 0 0 375.16 16.70 -5 0 0 344.37 15.40 -5 0 0 371.06 17.50 5 0 0 354.06 17.70 5 0 0 330.57 17.70 5 0 0 339.07 18.00 5 0 0 347.17 15.60 5 0 0 334.17 17.50 -6 0 0 7.60 5.10 -6 0 0 7.00 6.00 6 0 0 5.20 6.10 6 0 0 0.90 6.00 6 0 0 0.80 4.60 6 0 0 -9.80 6.40 -7 0 0 68.39 8.60 -7 0 0 72.29 11.60 -7 0 0 91.29 8.30 7 0 0 65.39 11.30 7 0 0 72.59 9.20 7 0 0 79.29 12.60 7 0 0 87.29 12.20 -8 0 0 59.99 11.90 8 0 0 60.39 9.30 8 0 0 34.10 11.20 8 0 0 20.60 10.50 8 0 0 39.80 11.70 -9 0 0 -2.30 8.20 9 0 0 -2.60 9.80 9 0 0 1.40 8.50 9 0 0 16.60 11.10 -10 0 0 26.40 14.10 10 0 0 6.20 13.90 10 0 0 28.90 14.30 10 0 0 27.90 13.50 9 -1 0 87.49 17.50 9 -1 0 93.19 18.20 9 -1 0 93.39 16.10 -9 1 0 89.39 17.60 8 -1 0 74.09 15.10 8 -1 0 53.59 13.40 8 -1 0 86.29 14.90 -8 1 0 90.39 15.30 7 -1 0 28.70 6.80 7 -1 0 23.80 8.50 7 -1 0 38.60 11.20 7 -1 0 41.20 10.60 -7 1 0 32.70 8.90 -7 1 0 35.60 6.70 6 -1 0 176.48 14.60 6 -1 0 170.28 14.80 6 -1 0 175.98 13.90 6 -1 0 202.78 11.80 -6 1 0 172.08 11.20 -6 1 0 198.68 13.90 -6 1 0 163.98 7.10 5 -1 0 8.20 6.70 5 -1 0 16.00 4.60 5 -1 0 17.30 5.70 5 -1 0 18.10 6.40 -5 1 0 24.50 6.60 -5 1 0 18.10 3.00 -5 1 0 20.80 5.00 -5 1 0 19.70 3.20 -5 1 0 16.20 5.40 4 -1 0 65.09 8.70 4 -1 0 54.99 8.00 4 -1 0 55.79 5.70 4 -1 0 67.99 7.30 4 -1 0 57.39 7.60 -4 1 0 67.79 7.90 -4 1 0 60.39 7.40 -4 1 0 70.49 6.40 -4 1 0 60.29 5.70 -4 1 0 63.79 4.00 3 -1 0 1.40 2.40 3 -1 0 -2.70 2.10 3 -1 0 4.20 3.50 3 -1 0 -1.70 2.80 3 -1 0 5.80 3.70 3 -1 0 1.10 3.20 3 -1 0 4.30 3.80 -3 1 0 2.80 2.50 -3 1 0 -4.50 3.30 -3 1 0 -4.20 2.70 -3 1 0 0.90 1.50 -3 1 0 0.90 2.30 -3 1 0 4.10 2.80 2 -1 0 18.90 3.30 2 -1 0 22.90 4.30 2 -1 0 19.10 3.60 2 -1 0 13.10 3.50 2 -1 0 15.40 2.60 2 -1 0 17.30 3.40 2 -1 0 15.00 2.90 -2 1 0 15.90 3.10 -2 1 0 21.60 4.00 -2 1 0 22.00 3.00 -2 1 0 16.80 2.70 -2 1 0 18.30 3.40 -2 1 0 26.00 4.30 -2 1 0 23.20 3.10 1 -1 0 2097.79 59.19 1 -1 0 1924.81 58.59 1 -1 0 2011.40 57.89 1 -1 0 1907.61 57.99 1 -1 0 1929.81 58.49 1 -1 0 1920.11 58.19 1 -1 0 2038.40 56.99 -1 1 0 2081.59 59.09 -1 1 0 1967.60 57.99 -1 1 0 1958.60 58.59 -1 1 0 1967.00 58.19 -1 1 0 1940.71 58.59 0 -1 0 65.59 3.10 0 -1 0 50.59 3.00 0 -1 0 54.29 3.20 0 1 0 65.39 3.30 0 1 0 55.89 2.50 0 1 0 52.49 2.20 0 1 0 58.29 3.10 -1 -1 0 10.80 2.10 -1 -1 0 20.30 2.40 -1 -1 0 8.40 1.50 -1 -1 0 12.60 2.20 -1 -1 0 9.60 2.10 -1 -1 0 16.50 2.70 -1 -1 0 10.00 2.10 -1 -1 0 9.30 1.80 -1 -1 0 13.70 2.20 -1 -1 0 11.00 2.20 1 1 0 12.90 2.30 1 1 0 9.10 2.20 1 1 0 7.20 1.50 1 1 0 9.70 2.40 1 1 0 9.20 1.90 1 1 0 10.00 2.40 1 1 0 10.50 2.30 -2 -1 0 127.09 6.50 -2 -1 0 121.99 6.60 -2 -1 0 131.59 6.90 -2 -1 0 131.39 6.60 -2 -1 0 134.49 7.00 -2 -1 0 118.89 6.70 -2 -1 0 136.69 6.60 -2 -1 0 126.59 7.20 -2 -1 0 129.59 6.50 2 1 0 127.59 6.90 2 1 0 123.99 6.90 2 1 0 131.89 7.40 2 1 0 118.09 7.10 2 1 0 113.09 7.00 2 1 0 125.29 6.90 2 1 0 121.09 7.20 2 1 0 132.39 6.80 2 1 0 115.59 6.70 -3 -1 0 471.45 18.10 -3 -1 0 502.25 17.90 -3 -1 0 498.45 18.30 -3 -1 0 500.15 17.50 -3 -1 0 485.65 18.00 -3 -1 0 473.55 18.60 -3 -1 0 487.65 18.10 -3 -1 0 451.85 17.80 -3 -1 0 509.45 18.50 3 1 0 493.45 18.30 3 1 0 488.25 18.40 3 1 0 471.55 18.40 3 1 0 493.35 18.70 3 1 0 480.95 18.50 3 1 0 470.55 18.20 3 1 0 446.66 17.50 3 1 0 508.15 19.30 -4 -1 0 1050.79 34.50 -4 -1 0 992.70 37.30 4 1 0 1044.20 34.90 4 1 0 1067.49 35.90 4 1 0 1027.20 36.20 4 1 0 1061.19 35.80 4 1 0 1071.99 36.00 4 1 0 1028.60 36.10 4 1 0 1043.80 36.00 -5 -1 0 190.68 11.80 -5 -1 0 198.38 11.10 5 1 0 170.38 12.60 5 1 0 174.88 12.50 5 1 0 190.58 11.40 5 1 0 158.28 12.40 5 1 0 172.38 12.20 5 1 0 171.68 12.00 5 1 0 183.98 12.80 -6 -1 0 168.18 12.40 -6 -1 0 153.08 11.70 6 1 0 175.88 14.20 6 1 0 174.48 14.10 6 1 0 181.78 12.10 6 1 0 191.98 14.10 -7 -1 0 16.90 6.50 -7 -1 0 20.40 7.50 7 1 0 9.70 6.40 7 1 0 11.00 7.90 7 1 0 12.10 8.00 7 1 0 16.70 7.70 -8 -1 0 22.70 7.40 -8 -1 0 34.90 10.60 8 1 0 39.60 8.80 8 1 0 18.60 9.90 8 1 0 28.00 10.90 8 1 0 27.10 9.80 -9 -1 0 86.79 16.80 9 1 0 62.29 14.50 9 1 0 84.29 15.70 9 1 0 51.09 13.00 -10 -1 0 -11.00 7.60 10 1 0 -7.70 10.30 10 1 0 -9.30 11.40 10 1 0 13.00 11.80 9 -2 0 43.30 15.10 9 -2 0 17.10 11.50 -9 2 0 23.30 12.00 8 -2 0 9.10 11.10 8 -2 0 -1.10 8.70 8 -2 0 9.10 10.90 -8 2 0 2.60 8.10 7 -2 0 92.89 13.60 7 -2 0 81.39 14.50 7 -2 0 93.39 15.00 -7 2 0 65.89 12.40 6 -2 0 11.10 8.00 6 -2 0 7.40 4.70 6 -2 0 14.80 7.80 6 -2 0 23.90 7.30 -6 2 0 13.80 5.40 -6 2 0 15.20 6.80 5 -2 0 81.09 7.40 5 -2 0 76.09 11.40 5 -2 0 66.49 10.00 5 -2 0 84.79 9.50 -5 2 0 71.59 7.90 -5 2 0 65.39 9.60 4 -2 0 29.40 6.70 4 -2 0 17.10 4.20 4 -2 0 37.60 6.80 4 -2 0 34.90 7.90 4 -2 0 29.90 5.90 4 -2 0 29.40 5.10 -4 2 0 32.50 5.20 -4 2 0 23.20 6.30 -4 2 0 16.50 4.10 3 -2 0 20.60 4.10 3 -2 0 22.20 3.70 3 -2 0 23.20 5.20 3 -2 0 15.20 5.00 3 -2 0 21.70 5.10 3 -2 0 17.90 4.40 -3 2 0 24.00 4.10 -3 2 0 27.50 3.90 -3 2 0 14.50 4.40 -3 2 0 20.50 4.00 2 -2 0 871.51 27.00 2 -2 0 834.82 27.50 2 -2 0 851.01 28.60 2 -2 0 855.51 29.40 -2 2 0 834.42 28.30 -2 2 0 841.12 27.20 -2 2 0 855.31 28.50 -2 2 0 848.22 27.60 -2 2 0 850.71 28.90 1 -2 0 679.33 21.30 1 -2 0 722.63 24.00 1 -2 0 717.03 22.90 1 -2 0 672.73 22.40 1 -2 0 709.23 23.80 1 -2 0 669.73 22.40 -1 2 0 689.83 21.30 -1 2 0 678.03 22.60 -1 2 0 699.93 23.80 -1 2 0 693.93 22.40 -1 2 0 678.43 22.80 0 -2 0 418.66 14.90 0 -2 0 397.36 13.10 0 -2 0 409.76 14.50 0 -2 0 395.06 14.60 0 2 0 385.26 12.50 0 2 0 402.36 14.40 0 2 0 399.46 13.20 0 2 0 414.36 14.90 -1 -2 0 177.88 8.00 -1 -2 0 176.68 7.80 -1 -2 0 152.98 7.40 -1 -2 0 170.18 7.60 -1 -2 0 173.88 8.10 -1 -2 0 170.58 6.00 -1 -2 0 169.18 6.50 -1 -2 0 162.98 5.40 1 2 0 158.88 6.50 1 2 0 159.48 8.10 1 2 0 168.08 7.60 1 2 0 168.58 7.70 -2 -2 0 276.17 11.50 -2 -2 0 283.07 10.20 -2 -2 0 266.77 11.70 -2 -2 0 267.17 11.40 -2 -2 0 272.67 11.50 -2 -2 0 281.67 11.70 -2 -2 0 297.77 11.10 -2 -2 0 287.57 11.50 -2 -2 0 287.87 11.70 -2 -2 0 280.77 11.80 2 2 0 284.87 12.10 2 2 0 278.17 11.70 2 2 0 261.67 10.20 2 2 0 303.17 12.10 2 2 0 285.57 11.80 2 2 0 280.67 12.30 2 2 0 284.47 11.20 -3 -2 0 30.00 3.90 -3 -2 0 27.10 4.70 -3 -2 0 37.60 5.00 -3 -2 0 40.10 5.00 -3 -2 0 36.60 5.50 -3 -2 0 33.60 4.70 -3 -2 0 28.30 4.60 -3 -2 0 32.50 4.80 -3 -2 0 37.60 5.20 3 2 0 37.60 5.30 3 2 0 25.50 4.50 3 2 0 28.60 4.70 3 2 0 29.70 4.80 3 2 0 26.90 4.50 3 2 0 27.80 4.20 3 2 0 22.30 4.80 3 2 0 24.60 4.60 3 2 0 28.30 5.30 4 2 0 136.19 9.40 4 2 0 155.88 10.40 4 2 0 152.28 9.80 4 2 0 156.18 9.40 4 2 0 140.29 9.80 4 2 0 147.59 10.40 4 2 0 160.38 10.60 4 2 0 145.59 10.30 4 2 0 166.18 10.40 5 2 0 298.67 16.50 5 2 0 338.17 16.00 5 2 0 331.97 16.40 5 2 0 317.97 17.70 5 2 0 325.97 17.10 5 2 0 317.97 16.10 5 2 0 334.07 16.90 5 2 0 321.97 16.90 -6 -2 0 200.18 12.80 -6 -2 0 200.38 13.20 6 2 0 202.58 14.80 6 2 0 189.58 14.10 6 2 0 198.38 14.70 6 2 0 218.48 14.90 6 2 0 213.98 13.70 -7 -2 0 73.99 11.10 -7 -2 0 47.30 8.20 7 2 0 50.69 9.20 7 2 0 41.10 9.40 7 2 0 77.79 12.20 7 2 0 46.60 9.70 -8 -2 0 95.79 11.20 -8 -2 0 66.39 10.80 -8 -2 0 63.39 11.90 8 2 0 57.69 12.50 8 2 0 80.29 11.70 8 2 0 57.69 12.70 8 2 0 74.09 13.20 -9 -2 0 13.10 9.60 9 2 0 58.79 13.60 9 2 0 20.90 9.40 9 2 0 32.60 11.00 9 2 0 36.70 13.40 -10 -2 0 10.70 10.60 10 2 0 14.50 15.00 10 2 0 30.10 14.60 10 2 0 14.80 11.30 8 -3 0 -2.80 11.10 8 -3 0 5.80 11.90 -8 3 0 8.80 8.10 7 -3 0 3.00 10.90 7 -3 0 6.10 7.40 7 -3 0 12.30 10.40 -7 3 0 12.80 9.00 6 -3 0 3.80 6.10 6 -3 0 0.30 7.40 6 -3 0 1.40 8.90 6 -3 0 8.00 4.60 -6 3 0 7.30 5.30 -6 3 0 7.50 6.90 5 -3 0 9.90 6.70 5 -3 0 13.10 4.30 5 -3 0 12.70 5.60 5 -3 0 4.10 7.00 -5 3 0 4.90 5.90 -5 3 0 1.90 4.40 4 -3 0 -2.20 3.40 4 -3 0 8.00 7.10 4 -3 0 -0.60 4.20 4 -3 0 5.10 5.70 -4 3 0 -0.20 5.00 -4 3 0 -0.80 3.00 -4 3 0 -1.10 4.00 3 -3 0 312.57 12.90 3 -3 0 315.87 15.30 3 -3 0 311.27 16.50 -3 3 0 310.27 12.10 -3 3 0 285.17 13.40 -3 3 0 318.07 13.20 -3 3 0 280.27 14.60 2 -3 0 405.36 13.20 2 -3 0 386.86 15.70 2 -3 0 398.76 17.40 -2 3 0 394.06 14.40 -2 3 0 431.06 17.50 -2 3 0 405.86 16.10 -2 3 0 388.46 16.30 1 -3 0 1002.00 32.80 1 -3 0 1060.09 34.80 1 -3 0 1065.99 34.00 1 -3 0 1032.90 35.00 1 -3 0 1028.50 32.30 -1 3 0 1070.49 35.10 -1 3 0 1029.30 32.60 -1 3 0 1043.50 34.00 -1 3 0 1004.20 30.90 -1 3 0 1013.30 33.10 0 -3 0 237.88 11.40 0 -3 0 261.97 11.30 0 -3 0 245.18 9.30 0 3 0 243.38 11.10 0 3 0 252.87 11.80 0 3 0 246.58 8.60 0 3 0 240.78 9.50 -1 -3 0 487.45 15.50 -1 -3 0 497.95 18.40 -1 -3 0 487.45 15.50 -1 -3 0 478.75 17.90 -1 -3 0 489.95 17.90 1 3 0 478.35 17.80 1 3 0 497.75 18.70 1 3 0 511.05 17.50 1 3 0 503.45 15.70 1 3 0 480.15 15.50 -2 -3 0 87.49 6.40 -2 -3 0 72.69 3.90 -2 -3 0 73.89 5.20 -2 -3 0 72.89 6.00 -2 -3 0 90.89 6.60 -2 -3 0 80.79 6.30 -2 -3 0 80.59 6.40 2 3 0 77.59 6.60 2 3 0 75.89 6.50 2 3 0 80.89 6.10 2 3 0 80.09 5.40 2 3 0 71.79 6.60 -3 -3 0 50.99 4.60 -3 -3 0 46.50 5.60 -3 -3 0 42.80 5.60 -3 -3 0 50.99 5.50 3 3 0 57.89 6.90 3 3 0 40.80 5.80 3 3 0 43.50 4.40 3 3 0 41.30 5.20 3 3 0 37.60 5.90 3 3 0 48.10 7.20 3 3 0 44.70 6.00 -4 -3 0 261.47 13.80 4 3 0 266.67 12.50 4 3 0 277.47 14.50 4 3 0 286.57 13.60 4 3 0 282.27 14.00 4 3 0 286.87 14.80 4 3 0 262.17 13.70 4 3 0 273.87 15.10 5 3 0 475.75 21.10 5 3 0 473.25 21.30 5 3 0 485.05 20.90 5 3 0 466.45 21.70 5 3 0 463.75 21.90 5 3 0 479.15 22.70 5 3 0 488.15 21.70 5 3 0 447.66 20.60 -6 -3 0 72.09 9.00 6 3 0 41.30 9.30 6 3 0 66.19 10.50 6 3 0 95.29 12.00 6 3 0 59.89 10.10 6 3 0 49.80 10.50 6 3 0 55.09 8.90 -7 -3 0 141.89 13.20 7 3 0 140.19 15.60 7 3 0 149.39 15.90 7 3 0 132.89 14.70 7 3 0 112.29 12.90 7 3 0 103.89 12.70 -8 -3 0 6.80 7.20 -8 -3 0 -2.80 6.30 8 3 0 9.20 9.10 8 3 0 -3.10 8.40 8 3 0 -0.60 8.60 8 3 0 -11.80 7.20 -9 -3 0 -4.50 6.30 -9 -3 0 2.30 8.80 -9 -3 0 -10.40 6.20 9 3 0 9.90 9.70 9 3 0 -6.90 8.20 9 3 0 13.60 10.70 9 3 0 -4.90 9.70 -10 -3 0 147.39 21.50 10 3 0 109.29 17.60 10 3 0 93.69 18.60 8 -4 0 0.60 11.20 8 -4 0 5.80 11.50 -8 4 0 23.80 12.50 7 -4 0 21.30 13.60 7 -4 0 30.30 13.30 -7 4 0 17.80 9.20 6 -4 0 35.90 11.00 6 -4 0 37.30 9.20 6 -4 0 49.70 12.10 -6 4 0 37.60 10.60 5 -4 0 65.89 9.30 5 -4 0 57.39 6.90 5 -4 0 57.49 10.40 5 -4 0 53.59 11.40 -5 4 0 72.69 10.80 -5 4 0 65.69 8.40 4 -4 0 56.09 10.30 4 -4 0 61.19 7.90 4 -4 0 74.09 7.30 4 -4 0 68.19 9.90 -4 4 0 63.19 8.00 -4 4 0 69.79 9.60 -4 4 0 61.09 5.90 3 -4 0 -6.80 5.60 3 -4 0 7.80 5.60 3 -4 0 4.10 4.00 -3 4 0 0.30 2.50 -3 4 0 1.20 2.80 -3 4 0 1.00 4.80 -3 4 0 -3.40 4.00 2 -4 0 181.68 12.90 2 -4 0 185.28 8.30 2 -4 0 186.08 12.70 -2 4 0 177.18 8.10 -2 4 0 202.38 12.70 -2 4 0 202.78 11.40 -2 4 0 196.98 11.20 1 -4 0 415.36 16.10 1 -4 0 374.76 17.30 1 -4 0 356.46 14.40 1 -4 0 363.86 16.70 -1 4 0 373.46 14.80 -1 4 0 359.66 14.00 -1 4 0 341.57 16.90 0 -4 0 5.40 3.80 0 -4 0 1.20 2.40 0 4 0 3.90 4.20 0 4 0 7.20 2.90 0 4 0 -2.00 1.60 0 4 0 4.40 2.60 -1 -4 0 -3.00 3.10 -1 -4 0 -0.50 3.30 -1 -4 0 1.60 1.70 1 4 0 -1.90 3.80 1 4 0 1.40 2.10 1 4 0 -0.20 3.10 1 4 0 -0.90 2.70 -2 -4 0 14.60 4.10 -2 -4 0 13.70 4.10 -2 -4 0 11.80 2.70 -2 -4 0 18.00 2.50 2 4 0 13.40 3.00 2 4 0 15.70 4.40 2 4 0 8.90 3.60 2 4 0 20.00 5.10 -3 -4 0 77.89 4.80 -3 -4 0 88.69 8.00 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7.70 6 5 0 41.70 9.90 6 5 0 31.80 9.30 -7 -5 0 26.20 8.70 -7 -5 0 53.99 9.30 7 5 0 37.00 9.60 7 5 0 55.09 10.70 7 5 0 39.00 11.90 7 5 0 38.70 9.90 -8 -5 0 192.98 17.10 -8 -5 0 144.19 16.70 8 5 0 151.38 17.60 8 5 0 172.98 20.60 8 5 0 214.58 22.50 -9 -5 0 22.90 10.20 -9 -5 0 3.40 7.90 -9 -5 0 14.40 9.60 -9 -5 0 -3.50 9.00 -10 -5 0 8.80 9.50 -10 -5 0 7.80 11.20 -10 -5 0 10.10 9.60 7 -6 0 11.90 13.10 7 -6 0 11.20 13.40 -7 6 0 3.10 13.30 -7 6 0 8.30 10.20 6 -6 0 49.30 13.70 6 -6 0 24.50 13.20 -6 6 0 31.00 13.70 -6 6 0 43.00 12.40 5 -6 0 -1.20 8.90 5 -6 0 1.60 9.30 -5 6 0 13.40 9.00 -5 6 0 4.50 10.20 4 -6 0 35.20 9.90 4 -6 0 8.10 9.00 4 -6 0 14.80 6.60 -4 6 0 25.60 8.60 -4 6 0 10.40 8.80 3 -6 0 109.89 10.50 3 -6 0 116.49 14.90 -3 6 0 120.89 12.80 -3 6 0 95.79 13.00 2 -6 0 8.40 4.40 2 -6 0 13.50 8.10 2 -6 0 8.90 6.50 -2 6 0 17.60 6.10 -2 6 0 15.20 7.60 1 -6 0 162.68 10.40 1 -6 0 160.18 13.50 1 -6 0 139.29 13.90 -1 6 0 125.79 8.00 -1 6 0 136.39 10.00 -1 6 0 143.29 13.00 -1 6 0 150.78 8.10 0 -6 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7 0 17.40 8.60 -6 -7 0 32.00 8.60 6 7 0 47.30 10.20 6 7 0 41.40 9.70 6 7 0 27.50 9.80 -7 -7 0 15.40 8.60 -7 -7 0 28.70 6.80 7 7 0 28.40 10.80 7 7 0 37.60 10.90 7 7 0 38.60 10.40 -8 -7 0 -3.90 8.20 8 7 0 11.90 10.30 8 7 0 37.50 12.00 8 7 0 9.80 10.00 -9 -7 0 92.69 16.10 -9 -7 0 65.59 13.60 9 7 0 58.89 13.90 9 7 0 48.40 13.10 9 7 0 66.79 17.50 -10 -7 0 8.90 11.50 -10 -7 0 7.60 10.00 -10 -7 0 0.20 10.40 5 -8 0 40.00 14.40 5 -8 0 19.30 16.70 -5 8 0 41.50 15.10 -5 8 0 16.60 11.30 4 -8 0 34.20 12.10 4 -8 0 15.40 11.70 -4 8 0 33.50 12.90 -4 8 0 4.40 7.90 3 -8 0 34.80 12.50 -3 8 0 27.10 11.10 -3 8 0 26.00 8.90 2 -8 0 36.70 11.90 -2 8 0 47.20 9.50 -2 8 0 36.10 11.10 1 -8 0 40.90 10.60 1 -8 0 34.60 10.90 1 -8 0 42.70 8.30 -1 8 0 50.79 11.30 -1 8 0 42.90 7.80 0 -8 0 137.19 12.60 0 -8 0 135.89 14.90 0 8 0 115.69 14.70 0 8 0 136.29 9.90 0 8 0 139.39 9.60 -1 -8 0 33.40 9.00 -1 -8 0 18.90 7.90 1 8 0 13.20 7.70 1 8 0 16.60 4.50 1 8 0 26.90 6.10 -2 -8 0 39.60 9.70 2 8 0 42.60 7.90 2 8 0 47.10 10.80 -3 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114.79 15.00 2 9 0 115.09 13.10 2 9 0 105.89 15.10 -3 -9 0 4.40 7.60 -3 -9 0 6.10 8.50 3 9 0 14.40 7.10 3 9 0 11.30 8.50 3 9 0 14.80 8.40 -4 -9 0 136.19 16.10 4 9 0 137.29 15.20 4 9 0 129.29 17.30 4 9 0 80.69 13.90 -5 -9 0 6.10 7.80 5 9 0 -1.00 8.00 5 9 0 6.70 8.90 5 9 0 13.50 8.50 -6 -9 0 23.80 9.30 6 9 0 27.60 11.10 6 9 0 15.30 9.30 6 9 0 5.20 8.60 -7 -9 0 28.50 10.10 7 9 0 18.60 10.20 7 9 0 18.60 11.00 7 9 0 26.50 11.50 -8 -9 0 22.30 12.50 -8 -9 0 19.10 10.20 8 9 0 -15.60 8.70 8 9 0 -1.00 11.60 8 9 0 -9.70 8.40 -9 -9 0 16.00 12.30 -9 -9 0 -3.30 9.70 9 9 0 6.70 11.70 9 9 0 17.00 13.10 9 9 0 -13.50 10.30 3 -10 0 21.90 15.10 -3 10 0 -4.10 12.30 2 -10 0 10.30 11.90 -2 10 0 31.80 14.00 1 -10 0 8.10 10.10 1 -10 0 -8.10 9.80 -1 10 0 17.00 11.30 0 -10 0 -3.50 6.80 0 -10 0 4.20 9.00 0 -10 0 -10.30 10.10 0 10 0 -11.00 8.70 -1 -10 0 73.49 13.90 -1 -10 0 43.00 11.30 1 10 0 81.39 14.70 -2 -10 0 9.90 9.20 -2 -10 0 -4.00 8.40 2 10 0 3.50 8.90 2 10 0 4.10 6.20 -3 -10 0 53.89 12.10 -3 -10 0 52.59 12.60 3 10 0 32.70 12.00 3 10 0 96.79 13.20 3 10 0 37.20 11.90 -4 -10 0 7.00 10.50 -4 -10 0 1.40 7.70 4 10 0 12.20 9.20 4 10 0 11.80 9.90 4 10 0 10.00 8.80 -5 -10 0 21.20 11.60 -5 -10 0 25.30 10.80 5 10 0 13.60 9.90 5 10 0 27.60 11.50 5 10 0 15.00 10.30 -6 -10 0 5.60 10.20 -6 -10 0 -12.90 6.90 6 10 0 6.50 9.10 6 10 0 -3.90 8.40 6 10 0 7.70 8.40 -7 -10 0 -9.40 9.40 -7 -10 0 -6.70 8.00 7 10 0 -6.90 8.10 7 10 0 -8.50 8.40 7 10 0 7.50 10.80 -8 -10 0 5.20 9.30 -8 -10 0 0.50 10.10 8 10 0 13.50 11.00 8 10 0 2.80 10.10 8 10 0 0.40 11.00 1 -11 0 -9.80 11.00 -1 11 0 13.60 12.20 0 -11 0 65.49 16.80 0 -11 0 62.89 14.90 0 11 0 44.70 14.90 -1 -11 0 14.80 9.50 -1 -11 0 10.10 10.40 -1 -11 0 6.80 12.00 1 11 0 18.50 11.90 -2 -11 0 55.09 13.10 -2 -11 0 77.49 16.40 2 11 0 93.99 17.40 -3 -11 0 5.10 10.00 -3 -11 0 -4.00 9.30 3 11 0 -0.90 8.90 3 11 0 3.80 9.90 -4 -11 0 2.20 8.50 -4 -11 0 8.10 9.80 4 11 0 0.10 10.80 4 11 0 2.90 9.30 4 11 0 -6.30 8.60 -5 -11 0 51.09 14.00 -5 -11 0 71.89 15.20 5 11 0 37.10 12.30 5 11 0 61.29 14.30 5 11 0 42.00 13.10 -6 -11 0 2.10 9.70 -6 -11 0 21.60 12.70 6 11 0 4.80 9.80 6 11 0 11.50 11.20 6 11 0 -3.20 11.90 -7 -11 0 52.59 14.50 -7 -11 0 60.79 16.30 7 11 0 51.49 15.80 7 11 0 31.20 13.00 7 11 0 40.30 13.50 -2 -12 0 26.80 13.10 -2 -12 0 52.49 14.50 2 12 0 24.20 12.60 -3 -12 0 -10.60 10.20 -3 -12 0 10.20 10.90 3 12 0 12.10 10.00 3 12 0 4.50 10.00 -4 -12 0 22.00 12.90 -4 -12 0 4.30 10.30 4 12 0 22.40 11.90 4 12 0 26.60 12.90 5 12 0 9.80 12.00 4 12 -1 12.10 11.80 4 12 -1 8.20 10.80 -4 -12 1 21.30 12.60 -4 -12 1 21.00 12.10 3 12 -1 14.90 11.70 3 12 -1 -0.80 10.10 -3 -12 1 11.20 12.20 -3 -12 1 0.20 9.80 2 12 -1 31.50 13.40 2 12 -1 20.00 13.10 -2 -12 1 23.30 11.90 -2 -12 1 26.30 13.00 7 11 -1 21.20 13.10 7 11 -1 13.90 12.00 7 11 -1 5.50 10.40 -7 -11 1 26.60 13.50 -7 -11 1 30.60 12.70 6 11 -1 4.00 10.60 6 11 -1 2.40 11.80 6 11 -1 7.40 9.90 -6 -11 1 9.40 9.90 -6 -11 1 1.70 11.90 5 11 -1 2.70 10.40 5 11 -1 11.30 11.20 5 11 -1 8.90 9.30 -5 -11 1 12.10 10.10 -5 -11 1 -1.00 9.80 4 11 -1 4.10 9.80 4 11 -1 4.00 10.40 4 11 -1 -1.30 8.30 -4 -11 1 18.80 11.80 -4 -11 1 0.80 9.70 3 11 -1 17.10 10.50 3 11 -1 9.00 10.10 -3 -11 1 13.00 10.40 -3 -11 1 9.00 9.70 2 11 -1 88.99 16.30 -2 -11 1 53.89 13.50 -2 -11 1 101.09 16.10 1 11 -1 -2.50 10.30 -1 -11 1 -12.90 7.50 -1 -11 1 0.70 11.10 -1 -11 1 21.00 10.20 0 11 -1 46.30 15.50 0 -11 1 48.80 16.10 0 -11 1 40.20 13.40 -1 11 -1 1.50 10.60 1 -11 1 -14.90 11.70 8 10 -1 24.70 11.60 8 10 -1 50.59 15.00 8 10 -1 58.99 16.30 -8 -10 1 60.99 15.60 -8 -10 1 58.49 16.00 7 10 -1 11.80 11.70 7 10 -1 27.20 11.50 7 10 -1 9.20 10.70 -7 -10 1 11.50 11.40 -7 -10 1 27.00 11.10 6 10 -1 4.40 9.60 6 10 -1 -5.30 8.00 6 10 -1 -1.80 8.10 -6 -10 1 2.20 9.70 -6 -10 1 4.30 8.60 5 10 -1 3.60 8.30 5 10 -1 -3.10 8.10 5 10 -1 2.60 8.60 -5 -10 1 8.40 10.70 -5 -10 1 4.20 8.80 4 10 -1 15.70 10.30 4 10 -1 18.60 9.90 4 10 -1 32.90 10.70 -4 -10 1 36.70 10.70 -4 -10 1 37.30 12.60 3 10 -1 47.90 10.60 3 10 -1 41.60 12.00 3 10 -1 31.80 12.20 -3 -10 1 40.60 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50.09 11.40 6 6 -3 35.50 9.30 6 6 -3 49.60 8.70 -6 -6 3 41.10 10.30 -6 -6 3 42.80 8.10 5 6 -3 15.20 7.60 5 6 -3 19.70 5.90 5 6 -3 10.50 7.20 5 6 -3 31.20 8.00 -5 -6 3 17.40 6.10 -5 -6 3 15.80 9.00 4 6 -3 2.10 4.40 4 6 -3 -2.60 5.60 4 6 -3 2.50 2.90 4 6 -3 5.90 6.80 4 6 -3 1.70 5.80 -4 -6 3 4.20 2.50 -4 -6 3 7.40 7.40 -4 -6 3 -1.80 4.20 3 6 -3 -3.30 5.40 3 6 -3 7.20 3.90 3 6 -3 -5.70 5.00 3 6 -3 -0.90 4.90 -3 -6 3 5.50 4.40 -3 -6 3 -3.80 5.60 2 6 -3 12.50 3.60 2 6 -3 9.00 5.10 2 6 -3 12.90 7.00 2 6 -3 5.90 5.40 -2 -6 3 16.80 6.90 -2 -6 3 11.90 4.90 1 6 -3 274.47 13.10 1 6 -3 258.57 16.50 1 6 -3 270.17 10.10 1 6 -3 296.57 13.50 -1 -6 3 270.47 16.20 -1 -6 3 271.67 15.50 0 6 -3 715.13 26.80 0 6 -3 723.53 23.80 0 6 -3 706.03 24.50 0 6 -3 767.32 31.00 0 -6 3 738.93 28.90 0 -6 3 737.03 29.60 -1 6 -3 1.80 6.10 -1 6 -3 3.00 4.80 -1 6 -3 -0.40 3.80 1 -6 3 -2.60 5.50 1 -6 3 -13.30 5.20 1 -6 3 3.10 5.20 -2 6 -3 113.29 11.60 -2 6 -3 98.69 12.40 2 -6 3 88.49 12.20 2 -6 3 87.49 9.50 -3 6 -3 7.70 7.40 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6.30 4 5 -3 -0.50 5.40 4 5 -3 9.50 4.70 -4 -5 3 5.00 4.40 -4 -5 3 4.40 6.30 -4 -5 3 1.20 2.50 3 5 -3 70.19 8.80 3 5 -3 56.09 4.70 3 5 -3 57.09 8.50 3 5 -3 77.09 7.60 3 5 -3 60.99 9.00 -3 -5 3 51.89 4.40 -3 -5 3 55.99 9.50 -3 -5 3 76.09 7.50 -3 -5 3 70.29 6.70 2 5 -3 42.80 8.00 2 5 -3 55.79 7.90 2 5 -3 56.99 7.40 2 5 -3 72.59 6.20 2 5 -3 57.49 3.60 -2 -5 3 60.59 8.80 -2 -5 3 73.39 6.40 -2 -5 3 73.39 7.60 -2 -5 3 53.49 6.00 1 5 -3 156.08 9.20 1 5 -3 172.48 7.60 1 5 -3 182.28 12.40 1 5 -3 165.58 9.70 1 5 -3 165.98 6.60 -1 -5 3 177.28 11.00 -1 -5 3 169.28 11.90 -1 -5 3 152.18 8.60 0 5 -3 302.87 11.80 0 5 -3 346.87 12.70 0 5 -3 315.67 16.90 0 5 -3 346.97 14.60 0 -5 3 317.07 15.70 0 -5 3 300.27 15.90 -1 5 -3 58.79 5.80 -1 5 -3 65.89 9.40 -1 5 -3 74.89 8.30 1 -5 3 53.89 8.50 1 -5 3 77.89 10.50 1 -5 3 60.79 7.60 -2 5 -3 29.20 6.90 -2 5 -3 32.40 3.90 -2 5 -3 23.10 7.30 2 -5 3 26.50 7.60 2 -5 3 25.20 5.90 -3 5 -3 6.80 6.10 -3 5 -3 14.90 6.80 -3 5 -3 6.90 3.60 3 -5 3 2.60 4.90 3 -5 3 8.30 4.50 3 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19.20 5.70 -5 -4 3 15.00 6.90 4 4 -3 4.50 5.10 4 4 -3 8.80 5.40 4 4 -3 13.40 4.10 4 4 -3 2.40 5.70 4 4 -3 11.50 4.90 -4 -4 3 16.30 4.90 -4 -4 3 20.70 7.40 3 4 -3 11.80 3.20 3 4 -3 1.10 4.60 3 4 -3 11.70 4.20 3 4 -3 9.10 5.50 3 4 -3 10.80 4.40 -3 -4 3 10.60 3.30 -3 -4 3 6.60 5.30 -3 -4 3 10.40 2.70 -3 -4 3 7.10 3.70 2 4 -3 177.28 11.60 2 4 -3 192.68 10.60 2 4 -3 180.78 7.60 2 4 -3 192.08 9.20 2 4 -3 181.68 9.40 2 4 -3 197.28 11.70 -2 -4 3 178.78 8.80 -2 -4 3 190.28 12.10 -2 -4 3 191.38 9.70 -2 -4 3 182.28 9.20 1 4 -3 8.70 3.60 1 4 -3 6.00 4.40 1 4 -3 14.50 2.20 1 4 -3 12.70 3.60 1 4 -3 10.80 2.80 1 4 -3 11.10 3.50 -1 -4 3 15.40 3.40 -1 -4 3 15.30 4.00 -1 -4 3 6.10 5.00 -1 -4 3 10.90 3.20 0 4 -3 155.88 8.70 0 4 -3 151.78 7.10 0 4 -3 169.28 10.70 0 -4 3 143.69 8.20 0 -4 3 157.78 9.70 0 -4 3 156.48 9.70 -1 4 -3 54.19 6.70 -1 4 -3 49.60 4.90 -1 4 -3 40.10 6.50 1 -4 3 41.90 7.00 1 -4 3 40.50 5.70 1 -4 3 44.10 6.00 1 -4 3 31.60 6.00 -2 4 -3 -1.00 4.50 -2 4 -3 8.70 4.90 -2 4 -3 -0.90 2.30 2 -4 3 -2.20 3.50 2 -4 3 9.80 4.00 2 -4 3 5.90 5.20 -3 4 -3 94.09 10.10 -3 4 -3 91.79 10.50 3 -4 3 91.09 7.20 3 -4 3 111.29 10.00 3 -4 3 99.19 7.90 3 -4 3 100.69 10.10 3 -4 3 92.19 11.80 -4 4 -3 5.50 6.30 -4 4 -3 3.80 6.40 4 -4 3 3.50 4.30 4 -4 3 0.80 5.30 4 -4 3 2.20 5.40 4 -4 3 1.30 6.80 -5 4 -3 39.20 9.30 -5 4 -3 34.00 9.10 5 -4 3 30.60 9.30 5 -4 3 26.00 7.10 5 -4 3 27.20 8.70 5 -4 3 34.60 8.40 -6 4 -3 63.09 12.50 -6 4 -3 62.09 12.30 6 -4 3 67.49 12.10 6 -4 3 79.19 14.30 6 -4 3 85.19 14.00 6 -4 3 87.29 10.50 -7 4 -3 -22.70 7.90 -7 4 -3 11.60 9.90 7 -4 3 11.00 8.30 7 -4 3 12.30 12.20 7 -4 3 9.70 10.80 -8 4 -3 55.99 15.40 8 -4 3 47.20 17.00 8 -4 3 54.89 16.10 10 3 -3 -5.50 13.10 -10 -3 3 22.60 11.90 9 3 -3 26.30 12.60 9 3 -3 -3.60 9.20 -9 -3 3 5.70 9.80 -9 -3 3 24.00 10.80 8 3 -3 61.09 11.90 8 3 -3 95.49 14.90 8 3 -3 56.59 12.00 -8 -3 3 75.09 12.70 -8 -3 3 90.59 12.20 -8 -3 3 93.89 13.30 7 3 -3 58.79 11.00 7 3 -3 66.59 10.90 7 3 -3 61.49 10.30 7 3 -3 51.39 9.80 -7 -3 3 61.39 10.20 -7 -3 3 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8 -4 55.79 14.30 8 8 -4 105.89 18.20 -8 -8 4 105.59 18.50 7 8 -4 30.40 11.90 7 8 -4 25.60 11.40 -7 -8 4 18.00 11.20 -7 -8 4 28.80 8.70 6 8 -4 55.59 12.60 6 8 -4 61.89 13.30 6 8 -4 60.09 13.80 6 8 -4 52.59 9.60 -6 -8 4 92.19 15.50 -6 -8 4 72.09 10.80 5 8 -4 8.20 7.40 5 8 -4 -5.80 4.40 5 8 -4 -2.30 7.30 5 8 -4 12.30 9.30 -5 -8 4 -0.20 5.40 -5 -8 4 -8.60 8.10 4 8 -4 1.80 6.40 4 8 -4 10.60 4.90 4 8 -4 8.80 8.20 4 8 -4 11.10 8.60 -4 -8 4 2.20 6.00 -4 -8 4 9.00 8.50 3 8 -4 14.70 8.60 3 8 -4 8.70 8.20 3 8 -4 4.70 6.00 3 8 -4 8.40 4.10 -3 -8 4 2.10 5.70 -3 -8 4 8.10 8.40 2 8 -4 64.39 11.20 2 8 -4 77.39 12.50 2 8 -4 80.09 9.30 -2 -8 4 84.69 13.30 -2 -8 4 79.29 11.20 1 8 -4 362.26 22.70 1 8 -4 339.07 17.20 -1 -8 4 360.06 21.30 -1 -8 4 391.96 22.00 0 8 -4 5.90 5.20 0 8 -4 -3.10 7.70 0 -8 4 4.90 8.40 0 -8 4 11.50 7.60 0 -8 4 9.60 7.70 -1 8 -4 3.80 8.10 -1 8 -4 5.00 5.90 1 -8 4 -1.80 8.40 1 -8 4 7.40 6.80 -2 8 -4 45.50 10.10 -2 8 -4 107.39 16.00 2 -8 4 47.60 12.40 -3 8 -4 5.60 8.10 -3 8 -4 11.60 10.40 3 -8 4 -5.60 9.40 3 -8 4 8.10 10.40 -4 8 -4 45.80 11.90 -4 8 -4 69.39 15.40 4 -8 4 56.39 15.50 -5 8 -4 3.20 12.00 -5 8 -4 7.40 13.40 5 -8 4 8.20 12.10 9 7 -4 25.60 13.10 -9 -7 4 73.59 15.50 -9 -7 4 35.40 13.90 8 7 -4 -5.40 9.70 8 7 -4 -17.80 9.30 -8 -7 4 -7.00 6.50 -8 -7 4 13.60 10.40 7 7 -4 45.20 12.90 7 7 -4 64.39 11.10 7 7 -4 72.09 14.00 -7 -7 4 83.89 14.70 -7 -7 4 103.29 12.70 6 7 -4 15.70 9.00 6 7 -4 10.10 6.40 6 7 -4 11.20 8.70 6 7 -4 2.90 7.70 -6 -7 4 -1.30 8.00 -6 -7 4 8.90 5.80 5 7 -4 -1.40 6.20 5 7 -4 13.60 5.60 5 7 -4 6.40 8.30 5 7 -4 16.90 8.70 -5 -7 4 6.10 8.30 -5 -7 4 13.60 5.80 4 7 -4 4.50 7.20 4 7 -4 10.10 6.20 4 7 -4 8.00 4.90 4 7 -4 3.20 6.60 -4 -7 4 4.10 7.30 -4 -7 4 10.20 5.60 3 7 -4 1.90 5.40 3 7 -4 0.50 3.60 3 7 -4 3.90 6.60 3 7 -4 0.70 6.40 -3 -7 4 6.50 6.70 -3 -7 4 -4.70 4.60 2 7 -4 599.84 27.80 2 7 -4 585.64 24.00 2 7 -4 557.14 27.60 2 7 -4 584.64 20.70 -2 -7 4 569.54 27.10 -2 -7 4 585.24 25.40 1 7 -4 22.60 5.20 1 7 -4 15.20 5.40 1 7 -4 15.70 8.10 -1 -7 4 19.30 6.80 -1 -7 4 15.70 7.00 0 7 -4 33.90 7.10 0 7 -4 29.00 8.40 0 -7 4 44.60 8.80 0 -7 4 41.50 9.00 0 -7 4 33.40 9.00 -1 7 -4 64.99 9.60 -1 7 -4 55.69 10.60 1 -7 4 73.49 12.50 1 -7 4 87.59 11.20 -2 7 -4 58.39 11.60 -2 7 -4 34.50 8.00 2 -7 4 40.30 10.10 2 -7 4 37.20 8.00 -3 7 -4 147.89 17.30 -3 7 -4 89.49 12.90 3 -7 4 83.79 14.20 3 -7 4 101.69 13.60 3 -7 4 118.29 12.20 -4 7 -4 5.60 8.90 -4 7 -4 2.50 7.60 4 -7 4 7.80 8.90 4 -7 4 -2.50 7.40 4 -7 4 -3.20 10.10 -5 7 -4 33.80 11.90 -5 7 -4 10.90 11.00 5 -7 4 50.89 14.40 -6 7 -4 34.60 13.80 -6 7 -4 66.89 16.10 6 -7 4 14.60 12.40 -9 -6 4 -2.10 10.70 -9 -6 4 30.20 11.40 -9 -6 4 -1.70 7.60 -9 -6 4 16.90 12.90 8 6 -4 186.28 21.60 8 6 -4 176.58 21.90 8 6 -4 125.19 15.50 -8 -6 4 162.18 15.90 -8 -6 4 205.78 22.00 7 6 -4 11.20 8.30 7 6 -4 11.70 9.80 7 6 -4 3.40 8.80 -7 -6 4 12.50 6.80 -7 -6 4 0.90 8.30 6 6 -4 18.40 8.70 6 6 -4 30.00 8.00 6 6 -4 23.80 9.10 6 6 -4 22.90 9.20 6 6 -4 30.40 6.50 -6 -6 4 44.90 11.70 -6 -6 4 27.50 7.00 5 6 -4 12.50 8.00 5 6 -4 11.60 5.70 5 6 -4 2.70 4.10 5 6 -4 5.50 6.90 5 6 -4 9.70 6.30 -5 -6 4 0.20 4.70 -5 -6 4 11.20 8.00 4 6 -4 24.00 4.40 4 6 -4 22.80 7.20 4 6 -4 15.90 8.20 4 6 -4 16.90 7.50 4 6 -4 30.30 6.20 -4 -6 4 32.30 9.20 -4 -6 4 25.10 4.00 -4 -6 4 15.10 5.50 3 6 -4 227.68 12.00 3 6 -4 216.88 9.00 3 6 -4 238.48 14.50 3 6 -4 211.38 15.60 3 6 -4 227.58 15.90 -3 -6 4 226.28 13.10 -3 -6 4 235.88 16.00 2 6 -4 2.00 6.20 2 6 -4 10.00 3.60 2 6 -4 15.00 5.20 2 6 -4 1.00 5.90 -2 -6 4 2.30 6.00 -2 -6 4 13.80 5.20 1 6 -4 47.50 6.60 1 6 -4 41.30 5.70 1 6 -4 47.70 3.80 1 6 -4 44.00 4.40 1 6 -4 46.30 9.20 -1 -6 4 40.50 7.00 -1 -6 4 47.30 8.70 0 6 -4 -2.10 2.50 0 6 -4 12.80 5.00 0 6 -4 8.60 6.40 0 -6 4 1.90 5.10 0 -6 4 2.90 5.80 -1 6 -4 1.20 5.10 -1 6 -4 -0.10 5.70 1 -6 4 4.40 5.70 1 -6 4 -1.70 6.10 1 -6 4 -6.80 4.80 -2 6 -4 122.29 13.60 -2 6 -4 148.99 14.20 2 -6 4 129.59 10.60 2 -6 4 125.79 14.20 -3 6 -4 112.69 12.50 -3 6 -4 105.69 13.10 3 -6 4 110.79 11.30 3 -6 4 110.89 12.90 3 -6 4 103.49 14.00 3 -6 4 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184.38 11.80 4 3 -5 183.28 13.50 4 3 -5 167.48 11.60 4 3 -5 162.18 12.90 4 3 -5 172.88 11.10 -4 -3 5 190.88 12.80 -4 -3 5 176.08 9.80 3 3 -5 11.10 4.40 3 3 -5 5.70 4.80 3 3 -5 12.00 5.30 3 3 -5 15.20 4.20 3 3 -5 9.40 4.30 -3 -3 5 13.80 3.70 -3 -3 5 4.70 5.30 -3 -3 5 10.70 2.90 2 3 -5 258.57 11.00 2 3 -5 250.57 13.50 2 3 -5 240.78 10.90 2 3 -5 246.58 13.00 2 3 -5 252.77 11.90 -2 -3 5 268.27 13.20 -2 -3 5 243.08 13.50 -2 -3 5 259.37 10.70 -2 -3 5 244.68 9.80 -2 -3 5 263.27 10.90 1 3 -5 2485.95 74.09 1 3 -5 2523.85 76.19 1 3 -5 2443.36 73.69 1 3 -5 2547.65 75.59 1 3 -5 2505.85 76.99 -1 -3 5 2468.25 73.69 -1 -3 5 2444.36 77.19 -1 -3 5 2465.05 75.19 -1 -3 5 2441.16 74.99 -1 -3 5 2494.65 72.99 0 3 -5 1.80 3.40 0 3 -5 4.50 2.70 0 3 -5 1.50 3.40 0 3 -5 1.90 3.40 0 -3 5 2.00 2.90 0 -3 5 2.40 2.70 0 -3 5 1.80 2.00 0 -3 5 2.30 1.20 0 -3 5 8.80 3.90 0 -3 5 6.30 4.20 0 -3 5 -0.50 2.90 -1 3 -5 133.09 8.80 -1 3 -5 116.79 7.90 -1 3 -5 121.99 8.30 -1 3 -5 108.59 8.30 1 -3 5 119.29 8.30 1 -3 5 121.89 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9.80 3 -5 6 101.19 12.30 -4 5 -6 3.50 6.40 -4 5 -6 16.60 7.00 4 -5 6 11.20 8.80 4 -5 6 2.30 7.30 4 -5 6 7.20 5.00 4 -5 6 -5.60 5.50 -5 5 -6 111.99 14.00 -5 5 -6 83.89 13.80 5 -5 6 96.99 16.60 5 -5 6 107.49 13.30 5 -5 6 124.99 13.60 -6 5 -6 52.09 12.30 -6 5 -6 51.19 13.50 6 -5 6 35.60 11.20 6 -5 6 35.30 12.60 6 -5 6 25.60 10.20 6 -5 6 48.10 11.50 -7 5 -6 -0.30 9.50 7 -5 6 -2.60 9.30 7 -5 6 3.70 13.40 9 4 -6 8.50 9.60 9 4 -6 33.00 13.80 9 4 -6 3.90 9.30 -9 -4 6 9.50 9.00 -9 -4 6 34.50 13.20 8 4 -6 4.60 8.40 8 4 -6 -2.50 10.00 8 4 -6 7.60 8.30 -8 -4 6 8.60 8.30 -8 -4 6 13.50 7.70 -8 -4 6 12.20 10.90 7 4 -6 -4.30 6.30 7 4 -6 2.60 8.80 7 4 -6 4.00 7.10 -7 -4 6 3.90 5.90 -7 -4 6 -0.20 9.20 -7 -4 6 10.00 7.80 6 4 -6 16.40 7.90 6 4 -6 52.79 10.40 6 4 -6 38.00 9.80 6 4 -6 37.80 8.60 6 4 -6 37.60 8.20 -6 -4 6 44.80 7.10 -6 -4 6 41.10 9.90 -6 -4 6 40.60 10.00 5 4 -6 293.07 16.10 5 4 -6 307.87 19.40 5 4 -6 278.37 16.90 5 4 -6 299.57 17.40 -5 -4 6 301.57 14.40 -5 -4 6 300.17 18.40 4 4 -6 11.00 5.80 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17.10 8.60 -5 -9 -6 227.18 20.00 5 9 6 213.98 18.70 5 9 6 188.88 20.40 5 9 6 218.38 18.10 -6 -9 -6 2.30 9.20 6 9 6 -8.10 7.70 6 9 6 12.30 8.00 6 9 6 7.80 9.20 -7 -9 -6 15.00 10.20 7 9 6 4.20 8.80 7 9 6 13.00 9.70 7 9 6 14.40 8.90 -8 -9 -6 25.40 12.70 8 9 6 17.40 11.60 8 9 6 23.20 10.00 8 9 6 21.80 13.00 -9 -9 -6 17.90 11.80 9 9 6 -3.40 10.50 9 9 6 17.10 12.50 2 -10 -6 -5.60 11.40 2 -10 -6 5.00 11.00 -2 10 6 -15.90 9.80 1 -10 -6 29.30 12.30 1 -10 -6 18.80 12.30 -1 10 6 19.60 12.00 0 -10 -6 128.19 19.40 0 10 6 124.99 17.90 -1 -10 -6 6.60 10.00 1 10 6 15.50 7.50 1 10 6 -5.40 8.90 -2 -10 -6 35.70 11.50 2 10 6 60.99 13.40 2 10 6 49.70 11.00 -3 -10 -6 -11.70 8.20 3 10 6 -8.10 6.40 3 10 6 6.60 9.30 -4 -10 -6 81.09 14.80 4 10 6 69.99 14.50 4 10 6 79.59 14.60 4 10 6 113.99 15.60 -5 -10 -6 58.89 13.20 5 10 6 61.89 14.40 5 10 6 98.79 15.70 5 10 6 70.69 14.00 -6 -10 -6 4.40 10.00 6 10 6 1.70 8.20 6 10 6 20.00 11.50 6 10 6 6.50 10.00 -7 -10 -6 0.90 10.70 7 10 6 14.20 10.40 7 10 6 8.10 9.90 7 10 6 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4.40 11.40 3 11 -7 50.39 15.50 3 11 -7 48.20 14.80 -3 -11 7 63.59 15.70 2 11 -7 10.10 12.10 2 11 -7 -19.80 10.10 -2 -11 7 -20.90 12.00 -2 -11 7 19.80 11.90 1 11 -7 9.90 12.10 1 11 -7 9.60 13.00 -1 -11 7 -1.60 10.10 -1 -11 7 16.10 14.40 6 10 -7 -8.40 9.50 6 10 -7 2.50 10.00 -6 -10 7 10.90 11.00 5 10 -7 2.30 9.90 5 10 -7 25.30 11.90 -5 -10 7 20.90 11.70 4 10 -7 74.09 16.30 4 10 -7 106.59 18.10 -4 -10 7 66.19 15.00 3 10 -7 2.90 9.90 3 10 -7 18.40 12.50 -3 -10 7 33.30 12.80 2 10 -7 34.80 12.50 2 10 -7 31.90 12.70 -2 -10 7 24.50 13.60 -2 -10 7 16.10 9.10 -2 -10 7 21.20 11.40 1 10 -7 40.70 13.20 1 10 -7 20.70 11.80 -1 -10 7 39.10 14.90 -1 -10 7 34.10 11.70 0 10 -7 -2.20 10.90 0 -10 7 3.70 11.90 0 -10 7 4.20 9.50 -1 10 -7 16.80 10.80 -1 10 -7 10.50 11.60 1 -10 7 -8.00 11.50 -2 10 -7 15.20 12.70 -2 10 -7 23.00 10.00 2 -10 7 23.20 15.00 8 9 -7 13.20 13.20 7 9 -7 13.50 12.10 7 9 -7 56.09 15.90 7 9 -7 20.80 9.00 -7 -9 7 42.80 13.20 6 9 -7 45.80 9.20 6 9 -7 76.59 15.60 6 9 -7 59.59 14.80 -6 -9 7 59.59 15.00 5 9 -7 -11.80 7.40 5 9 -7 -5.20 7.90 5 9 -7 7.10 7.90 -5 -9 7 15.50 9.80 4 9 -7 6.60 10.30 4 9 -7 10.10 9.30 -4 -9 7 -6.40 8.80 -4 -9 7 0.30 7.00 3 9 -7 31.80 12.00 3 9 -7 25.80 11.00 -3 -9 7 38.00 9.50 -3 -9 7 22.70 10.90 2 9 -7 17.80 10.60 2 9 -7 13.60 9.20 -2 -9 7 17.00 10.80 -2 -9 7 3.50 6.70 1 9 -7 53.99 12.90 1 9 -7 53.09 9.50 1 9 -7 63.19 14.00 -1 -9 7 26.30 11.60 -1 -9 7 43.80 10.60 -1 -9 7 48.20 12.10 0 9 -7 14.20 10.50 0 9 -7 1.80 6.50 0 -9 7 7.50 10.80 0 -9 7 9.80 9.20 -1 9 -7 15.70 11.30 -1 9 -7 9.50 7.50 1 -9 7 -6.80 10.50 1 -9 7 6.50 8.70 -2 9 -7 62.69 16.20 -2 9 -7 72.69 13.00 2 -9 7 59.59 16.50 -3 9 -7 10.10 8.90 -3 9 -7 5.30 11.80 3 -9 7 -3.40 13.80 3 -9 7 0.20 11.80 8 8 -7 62.99 16.50 8 8 -7 39.00 15.00 8 8 -7 34.60 11.40 -8 -8 7 59.69 16.10 7 8 -7 55.59 15.00 7 8 -7 55.59 15.00 7 8 -7 57.99 11.60 -7 -8 7 60.99 16.20 6 8 -7 4.10 9.60 6 8 -7 17.00 7.30 6 8 -7 16.80 10.60 -6 -8 7 12.60 9.60 5 8 -7 12.80 10.00 5 8 -7 18.00 10.50 5 8 -7 17.50 6.90 -5 -8 7 15.60 10.10 4 8 -7 71.39 13.70 4 8 -7 50.19 11.50 4 8 -7 68.49 9.10 -4 -8 7 70.49 9.50 -4 -8 7 67.19 13.00 3 8 -7 0.60 9.00 3 8 -7 5.30 8.50 3 8 -7 -1.20 4.30 -3 -8 7 1.00 7.70 -3 -8 7 -4.40 5.20 2 8 -7 75.79 8.30 2 8 -7 85.89 13.90 2 8 -7 90.89 14.80 -2 -8 7 83.99 11.10 -2 -8 7 79.69 14.10 1 8 -7 4.40 8.30 1 8 -7 14.40 6.60 1 8 -7 -4.30 7.60 -1 -8 7 1.10 8.00 -1 -8 7 13.00 8.60 -1 -8 7 5.90 6.70 0 8 -7 16.20 6.90 0 8 -7 1.40 8.30 0 -8 7 6.30 8.00 0 -8 7 4.60 9.20 -1 8 -7 69.99 13.60 -1 8 -7 74.09 11.50 1 -8 7 61.69 14.30 1 -8 7 65.89 12.30 -2 8 -7 -10.90 6.40 -2 8 -7 -6.30 7.90 2 -8 7 -3.20 9.40 2 -8 7 -1.40 7.50 -3 8 -7 7.60 8.00 -3 8 -7 20.80 10.60 3 -8 7 8.50 11.70 3 -8 7 13.50 10.80 -4 8 -7 41.30 12.30 -4 8 -7 40.20 14.60 4 -8 7 47.30 15.80 9 7 -7 14.00 9.80 -9 -7 7 1.40 11.60 -9 -7 7 -1.80 9.80 8 7 -7 20.80 12.80 8 7 -7 28.40 10.00 8 7 -7 16.30 12.90 -8 -7 7 40.20 13.40 -8 -7 7 38.50 13.30 7 7 -7 -9.00 9.00 7 7 -7 -1.00 8.60 7 7 -7 -1.30 6.30 -7 -7 7 2.30 9.40 6 7 -7 2.20 5.40 6 7 -7 8.70 9.00 6 7 -7 0.20 6.50 6 7 -7 16.00 10.10 -6 -7 7 5.90 8.70 5 7 -7 110.19 15.70 5 7 -7 99.99 15.30 5 7 -7 129.99 13.30 5 7 -7 102.29 9.50 -5 -7 7 121.29 16.60 -5 -7 7 119.59 10.70 4 7 -7 -4.40 6.50 4 7 -7 2.00 7.80 4 7 -7 -4.60 4.50 4 7 -7 -3.10 3.40 -4 -7 7 -1.90 4.50 -4 -7 7 -1.90 7.10 3 7 -7 13.10 5.20 3 7 -7 19.60 8.50 3 7 -7 2.80 7.20 3 7 -7 13.30 3.70 -3 -7 7 11.10 5.40 -3 -7 7 9.10 8.20 2 7 -7 7.10 3.40 2 7 -7 5.10 7.30 2 7 -7 5.90 4.10 2 7 -7 14.10 8.30 -2 -7 7 9.20 5.10 -2 -7 7 9.40 8.50 1 7 -7 127.79 14.40 1 7 -7 99.19 7.70 1 7 -7 102.49 12.60 1 7 -7 101.39 7.30 1 7 -7 116.39 12.10 -1 -7 7 117.59 11.60 -1 -7 7 109.69 14.40 0 7 -7 144.49 8.40 0 7 -7 155.78 15.60 0 7 -7 158.88 9.80 0 7 -7 162.08 12.70 0 -7 7 150.08 15.70 0 -7 7 174.08 16.90 -1 7 -7 -3.30 6.50 -1 7 -7 12.70 6.80 1 -7 7 4.90 7.30 1 -7 7 -5.40 7.40 -2 7 -7 8.40 8.60 -2 7 -7 15.50 7.60 2 -7 7 15.80 7.80 2 -7 7 24.90 9.80 -3 7 -7 12.50 8.60 -3 7 -7 17.40 9.70 3 -7 7 -11.40 9.10 3 -7 7 -1.00 9.70 -4 7 -7 1.60 9.00 -4 7 -7 12.00 9.70 4 -7 7 15.40 11.50 4 -7 7 -8.10 9.00 -5 7 -7 19.60 11.00 -5 7 -7 58.79 15.30 5 -7 7 58.89 17.60 9 6 -7 7.90 9.30 -9 -6 7 23.10 14.00 -9 -6 7 2.80 13.30 8 6 -7 2.50 7.40 8 6 -7 -8.80 9.50 8 6 -7 0.40 7.70 -8 -6 7 9.10 9.80 -8 -6 7 16.20 11.30 7 6 -7 6.20 10.10 7 6 -7 -0.70 7.20 7 6 -7 -13.10 5.80 7 6 -7 -2.20 9.30 -7 -6 7 9.90 9.20 -7 -6 7 -0.90 9.70 6 6 -7 68.59 12.40 6 6 -7 53.39 12.40 6 6 -7 82.49 12.40 6 6 -7 99.29 11.10 -6 -6 7 97.99 10.10 -6 -6 7 95.39 14.30 5 6 -7 7.60 7.90 5 6 -7 -2.30 7.00 5 6 -7 7.30 4.70 5 6 -7 7.40 6.10 -5 -6 7 3.50 4.00 -5 -6 7 14.20 8.70 4 6 -7 73.19 7.50 4 6 -7 68.19 9.00 4 6 -7 84.09 12.80 4 6 -7 58.19 11.40 -4 -6 7 84.59 8.10 -4 -6 7 56.49 10.80 3 6 -7 67.79 11.30 3 6 -7 80.39 12.30 3 6 -7 92.89 7.70 3 6 -7 80.09 8.90 -3 -6 7 84.79 8.20 -3 -6 7 85.29 12.40 2 6 -7 -3.50 3.00 2 6 -7 -1.80 3.90 2 6 -7 0.00 6.00 2 6 -7 1.70 6.40 -2 -6 7 -3.30 6.20 -2 -6 7 -3.10 4.00 -2 -6 7 0.20 3.20 1 6 -7 214.98 13.80 1 6 -7 209.18 15.90 1 6 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8.50 6 5 -7 -6.40 5.50 6 5 -7 8.60 7.90 6 5 -7 11.90 6.60 -6 -5 7 8.00 8.20 -6 -5 7 1.60 4.60 5 5 -7 119.89 10.90 5 5 -7 76.19 10.20 5 5 -7 77.49 11.90 5 5 -7 79.49 12.20 -5 -5 7 96.09 8.70 -5 -5 7 113.69 14.10 4 5 -7 19.90 7.80 4 5 -7 27.30 6.50 4 5 -7 25.60 7.90 4 5 -7 18.70 5.50 -4 -5 7 17.00 4.40 -4 -5 7 22.00 8.90 3 5 -7 9.20 6.80 3 5 -7 9.70 4.10 3 5 -7 0.50 5.90 3 5 -7 -2.00 4.10 -3 -5 7 -2.00 6.40 -3 -5 7 7.50 3.50 2 5 -7 234.08 12.80 2 5 -7 241.18 15.90 2 5 -7 253.27 11.80 2 5 -7 249.38 11.90 2 5 -7 262.17 15.50 -2 -5 7 251.57 11.00 -2 -5 7 228.08 16.10 -2 -5 7 245.48 11.80 1 5 -7 7.70 5.90 1 5 -7 2.80 5.40 1 5 -7 1.10 3.30 1 5 -7 6.10 4.90 -1 -5 7 0.70 2.20 -1 -5 7 7.50 6.60 -1 -5 7 1.90 3.70 0 5 -7 430.46 20.70 0 5 -7 378.76 18.80 0 -5 7 446.86 20.20 0 -5 7 417.06 15.80 0 -5 7 442.96 21.20 -1 5 -7 95.49 10.80 -1 5 -7 113.99 11.60 1 -5 7 95.89 11.40 1 -5 7 102.19 11.90 1 -5 7 80.09 4.60 -2 5 -7 3.80 5.60 -2 5 -7 2.10 5.50 2 -5 7 2.30 3.00 2 -5 7 6.50 6.10 2 -5 7 10.20 6.60 -3 5 -7 295.07 17.30 -3 5 -7 303.77 18.20 3 -5 7 315.17 18.90 3 -5 7 291.37 19.60 3 -5 7 283.37 13.50 3 -5 7 269.67 16.20 -4 5 -7 5.00 7.20 -4 5 -7 0.70 6.50 4 -5 7 12.50 5.80 4 -5 7 7.90 5.00 4 -5 7 -5.20 7.60 4 -5 7 10.10 8.30 -5 5 -7 1.00 7.00 -5 5 -7 3.80 7.90 5 -5 7 8.00 6.30 5 -5 7 13.70 10.00 5 -5 7 -9.50 7.90 -6 5 -7 47.20 13.80 -6 5 -7 8.50 10.30 6 -5 7 24.40 9.60 6 -5 7 37.80 13.40 6 -5 7 4.40 9.00 -7 5 -7 7.20 10.90 7 -5 7 -20.00 10.40 7 -5 7 4.00 9.60 9 4 -7 11.90 12.80 9 4 -7 0.40 9.20 9 4 -7 14.20 10.20 -9 -4 7 23.80 13.90 -9 -4 7 14.10 11.60 8 4 -7 104.89 15.40 8 4 -7 77.99 15.00 8 4 -7 111.09 16.30 -8 -4 7 81.49 14.90 -8 -4 7 75.39 14.10 -8 -4 7 55.59 11.90 7 4 -7 9.70 7.50 7 4 -7 -0.80 7.00 7 4 -7 3.10 8.60 -7 -4 7 11.10 8.00 -7 -4 7 9.80 9.50 -7 -4 7 -0.90 5.10 6 4 -7 132.69 12.90 6 4 -7 95.09 11.70 6 4 -7 79.09 12.80 6 4 -7 121.19 13.90 6 4 -7 75.69 12.40 -6 -4 7 106.49 9.80 -6 -4 7 124.19 15.20 -6 -4 7 108.99 13.60 5 4 -7 81.79 12.00 5 4 -7 126.49 13.00 5 4 -7 99.69 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5.70 -3 4 -9 14.90 7.20 3 -4 9 14.00 7.40 3 -4 9 14.30 7.20 3 -4 9 -0.40 6.30 -4 4 -9 -1.00 6.00 -4 4 -9 -6.50 4.90 4 -4 9 3.80 7.70 4 -4 9 -11.00 7.10 4 -4 9 -2.50 3.90 4 -4 9 10.60 6.70 -5 4 -9 14.40 7.10 -5 4 -9 11.00 7.90 5 -4 9 31.10 7.60 5 -4 9 24.60 6.70 5 -4 9 35.80 11.20 5 -4 9 32.20 11.70 -6 4 -9 15.20 9.70 6 -4 9 21.60 9.90 6 -4 9 5.70 10.20 -7 4 -9 56.29 14.10 7 -4 9 36.30 14.70 7 -4 9 40.20 12.60 7 -4 9 59.59 12.90 8 -4 9 15.50 12.10 8 -4 9 27.90 14.50 9 3 -9 34.40 14.90 9 3 -9 24.30 13.70 9 3 -9 27.10 13.00 -9 -3 9 14.40 14.80 8 3 -9 8.20 10.10 8 3 -9 10.20 9.40 8 3 -9 -8.50 10.20 -8 -3 9 -4.70 7.50 -8 -3 9 -6.70 10.40 7 3 -9 6.30 7.50 7 3 -9 12.70 8.90 7 3 -9 7.50 9.90 -7 -3 9 8.60 8.10 -7 -3 9 9.30 10.20 6 3 -9 33.40 10.30 6 3 -9 30.30 8.30 6 3 -9 54.09 10.20 -6 -3 9 50.79 12.40 -6 -3 9 58.39 10.90 5 3 -9 96.89 12.20 5 3 -9 77.49 10.50 5 3 -9 89.09 11.30 -5 -3 9 86.99 11.90 -5 -3 9 81.39 7.10 -5 -3 9 101.29 13.60 4 3 -9 685.83 30.90 4 3 -9 720.93 29.10 4 3 -9 695.13 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15.60 -7 5 -10 0.20 10.80 7 -5 10 1.10 11.00 7 -5 10 9.80 14.80 9 4 -10 11.50 12.10 9 4 -10 1.40 10.20 9 4 -10 13.00 13.00 -9 -4 10 0.50 14.50 8 4 -10 5.50 11.30 8 4 -10 2.40 8.70 8 4 -10 -12.50 8.50 -8 -4 10 5.00 9.70 -8 -4 10 2.30 11.20 7 4 -10 6.90 8.40 7 4 -10 19.90 10.50 7 4 -10 -12.50 5.90 -7 -4 10 -18.20 8.60 -7 -4 10 -6.30 7.50 6 4 -10 86.99 12.60 6 4 -10 133.09 14.10 6 4 -10 141.79 15.80 -6 -4 10 119.09 16.10 -6 -4 10 118.69 15.80 5 4 -10 30.90 8.80 5 4 -10 32.70 8.20 5 4 -10 24.60 7.70 5 4 -10 14.10 8.80 5 4 -10 11.10 8.00 -5 -4 10 28.70 10.20 -5 -4 10 19.40 8.30 4 4 -10 32.30 7.70 4 4 -10 35.50 7.90 4 4 -10 16.90 6.90 4 4 -10 10.90 8.10 4 4 -10 26.40 8.60 -4 -4 10 34.10 9.90 -4 -4 10 33.30 10.00 3 4 -10 211.88 16.10 3 4 -10 234.98 12.80 3 4 -10 214.18 14.60 3 4 -10 184.38 14.90 3 4 -10 242.88 14.10 -3 -4 10 218.38 16.60 -3 -4 10 215.98 15.80 2 4 -10 -4.00 4.50 2 4 -10 11.50 6.80 2 4 -10 -1.30 5.30 -2 -4 10 -5.10 6.30 1 4 -10 59.09 8.50 1 4 -10 59.59 9.10 1 4 -10 46.90 7.40 1 4 -10 47.00 8.30 1 4 -10 59.09 5.20 -1 -4 10 48.30 7.40 -1 -4 10 61.29 10.30 0 4 -10 118.79 11.70 0 4 -10 132.99 9.90 0 4 -10 117.09 11.50 0 4 -10 123.59 10.80 0 4 -10 112.59 8.40 0 -4 10 118.29 10.10 0 -4 10 103.29 12.30 -1 4 -10 18.10 6.20 -1 4 -10 27.20 7.30 1 -4 10 25.20 7.40 1 -4 10 22.80 8.30 1 -4 10 19.00 3.70 -2 4 -10 24.90 7.60 -2 4 -10 39.80 7.30 2 -4 10 16.90 7.30 2 -4 10 32.40 8.70 2 -4 10 38.60 9.80 -3 4 -10 14.00 5.50 -3 4 -10 10.00 7.50 3 -4 10 27.40 8.70 3 -4 10 1.70 7.80 3 -4 10 -5.10 6.50 -4 4 -10 145.29 15.10 -4 4 -10 133.29 11.80 4 -4 10 138.19 16.00 4 -4 10 156.18 13.50 4 -4 10 179.98 18.00 -5 4 -10 -1.00 5.10 -5 4 -10 3.00 7.30 5 -4 10 -1.90 8.90 5 -4 10 8.10 6.50 5 -4 10 2.50 9.00 -6 4 -10 18.90 9.90 6 -4 10 60.19 12.60 6 -4 10 64.89 16.00 -7 4 -10 7.80 9.20 7 -4 10 21.10 12.70 7 -4 10 16.30 11.20 7 -4 10 -2.80 10.20 9 3 -10 10.10 12.90 9 3 -10 -2.70 9.90 9 3 -10 -12.40 10.50 -9 -3 10 -9.10 13.30 8 3 -10 10.20 11.50 8 3 -10 5.70 9.40 8 3 -10 1.50 9.50 -8 -3 10 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312.67 28.40 8 2 -10 267.97 25.80 8 2 -10 276.07 25.80 -8 -2 10 257.87 25.70 7 2 -10 -0.80 8.80 7 2 -10 14.60 10.20 7 2 -10 -1.80 7.30 -7 -2 10 3.20 10.90 -7 -2 10 -7.00 7.00 6 2 -10 119.19 14.20 6 2 -10 123.29 14.70 6 2 -10 130.99 15.60 -6 -2 10 164.88 18.40 -6 -2 10 113.19 13.70 5 2 -10 175.48 14.90 5 2 -10 188.48 15.50 5 2 -10 194.88 15.70 -5 -2 10 196.88 15.30 -5 -2 10 205.78 16.60 4 2 -10 405.06 20.10 4 2 -10 407.56 20.40 4 2 -10 417.26 20.10 -4 -2 10 382.06 13.90 -4 -2 10 359.16 21.10 -4 -2 10 356.86 14.00 -4 -2 10 404.76 20.90 3 2 -10 17.40 5.90 3 2 -10 20.80 6.40 3 2 -10 25.40 6.70 -3 -2 10 23.80 7.80 -3 -2 10 29.00 7.60 -3 -2 10 24.60 3.10 2 2 -10 8.00 5.30 2 2 -10 1.80 5.10 2 2 -10 9.50 4.40 2 2 -10 9.80 4.90 -2 -2 10 7.50 2.20 -2 -2 10 10.90 6.50 -2 -2 10 10.10 2.50 -2 -2 10 10.50 6.20 1 2 -10 262.77 10.90 1 2 -10 262.37 12.40 1 2 -10 255.07 13.70 1 2 -10 221.88 14.00 -1 -2 10 240.38 15.10 -1 -2 10 261.47 14.60 -1 -2 10 237.18 10.20 -1 -2 10 248.88 11.80 0 2 -10 213.28 12.20 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11.30 -7 -5 15 17.70 14.30 -7 -5 15 22.50 16.50 6 5 -15 80.69 13.70 6 5 -15 114.09 15.30 6 5 -15 124.09 16.70 -6 -5 15 161.18 20.20 -6 -5 15 102.79 17.60 5 5 -15 12.80 8.20 5 5 -15 9.00 9.30 5 5 -15 21.40 11.70 -5 -5 15 5.20 10.50 -5 -5 15 3.40 9.10 4 5 -15 14.30 8.60 4 5 -15 20.60 8.50 4 5 -15 -0.30 9.60 -4 -5 15 6.50 10.30 -4 -5 15 5.20 9.40 3 5 -15 3.20 8.90 3 5 -15 19.80 9.00 3 5 -15 1.40 7.40 3 5 -15 6.40 7.30 -3 -5 15 5.50 9.80 -3 -5 15 9.40 9.90 2 5 -15 0.10 7.20 2 5 -15 -5.40 7.90 2 5 -15 -4.30 6.80 -2 -5 15 8.60 9.30 -2 -5 15 0.60 8.20 -2 -5 15 5.80 5.80 1 5 -15 61.09 10.00 1 5 -15 76.99 12.80 1 5 -15 68.29 10.90 -1 -5 15 76.59 12.80 -1 -5 15 84.79 10.40 -1 -5 15 79.09 14.00 0 5 -15 28.10 8.90 0 5 -15 24.30 9.30 0 5 -15 26.50 7.50 0 5 -15 31.20 9.80 0 -5 15 43.50 10.10 0 -5 15 29.00 10.40 0 -5 15 43.30 9.20 -1 5 -15 142.69 16.10 -1 5 -15 187.78 16.40 -1 5 -15 189.48 16.30 1 -5 15 175.68 15.10 1 -5 15 143.09 18.50 1 -5 15 154.18 14.80 1 -5 15 157.68 18.40 -2 5 -15 57.49 10.90 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20.50 12.20 -2 0 -25 13.40 11.80 2 0 25 8.90 12.30 2 0 25 29.70 13.40 -3 0 -25 -1.70 11.50 3 0 25 -0.90 13.50 3 0 25 13.70 12.10 -4 0 -25 -6.30 11.40 4 0 25 -9.90 11.90 4 0 25 9.90 12.00 1 -1 -25 35.10 13.30 -1 1 25 9.00 13.00 -1 1 25 25.70 13.80 0 -1 -25 -1.50 10.40 0 1 25 19.90 10.10 0 1 25 3.30 12.00 0 1 25 9.60 12.00 -1 -1 -25 16.10 12.80 1 1 25 45.50 13.80 1 1 25 25.90 11.00 1 1 25 31.10 15.50 -2 -1 -25 -7.40 11.10 2 1 25 9.80 14.60 2 1 25 5.90 9.40 2 1 25 5.70 10.50 -3 -1 -25 23.20 14.60 3 1 25 16.50 12.40 3 1 25 3.80 13.40 -4 -1 -25 -1.90 12.10 4 1 25 10.10 13.10 4 1 25 -7.00 10.90 1 -2 -25 2.30 11.50 -1 2 25 5.10 12.20 -1 2 25 -0.10 13.40 0 -2 -25 1.10 11.40 0 2 25 0.00 12.50 0 2 25 -4.40 12.40 -1 -2 -25 3.20 11.70 1 2 25 10.00 10.30 1 2 25 26.50 14.30 1 2 25 -18.40 10.40 -2 -2 -25 10.40 11.60 2 2 25 4.20 10.60 2 2 25 16.70 14.00 2 2 25 -5.30 10.70 -3 -2 -25 15.90 12.80 3 2 25 12.90 13.60 3 2 25 10.40 11.50 -4 -2 -25 9.90 12.70 4 2 25 40.30 14.60 1 -3 -25 -13.10 10.50 -1 3 25 10.20 11.70 -1 3 25 -16.70 12.90 0 -3 -25 24.60 13.10 0 3 25 2.50 12.60 0 3 25 10.50 11.80 -1 -3 -25 -6.10 10.90 1 3 25 5.80 11.50 1 3 25 4.40 9.70 1 3 25 25.00 13.00 -2 -3 -25 23.60 13.10 2 3 25 20.00 12.60 2 3 25 17.30 11.10 -3 -3 -25 38.90 13.60 3 3 25 4.50 10.60 3 3 25 20.40 12.80 -4 -3 -25 12.30 13.00 4 3 25 -3.80 10.30 0 -4 -25 -0.90 11.10 0 4 25 -21.00 10.90 -1 -4 -25 119.99 18.80 1 4 25 70.29 16.30 -2 -4 -25 -12.30 11.50 2 4 25 0.10 13.10 2 4 25 17.50 10.30 -3 -4 -25 15.40 13.00 3 4 25 18.40 10.70 3 4 25 12.50 12.00 -4 -4 -25 22.30 13.30 4 4 25 -9.50 8.00 4 4 25 39.50 13.10 -2 -5 -25 -3.70 11.70 2 5 25 -19.30 12.20 -3 -5 -25 -1.20 11.50 3 5 25 29.30 12.90 3 5 25 2.80 9.60 1 -1 26 4.20 12.90 0 0 -26 14.50 13.50 0 0 26 11.90 11.50 0 0 26 0.30 12.50 0 0 26 -8.20 11.40 -1 0 -26 80.69 17.80 1 0 26 29.50 15.00 1 0 26 61.79 14.60 1 0 26 64.49 15.30 -2 0 -26 10.30 12.40 2 0 26 24.60 13.50 2 0 26 34.90 16.30 0 -1 -26 12.30 12.40 0 1 26 14.70 10.60 0 1 26 45.40 15.40 0 1 26 13.60 12.80 -1 -1 -26 20.00 14.10 1 1 26 14.80 13.00 1 1 26 17.20 11.10 1 1 26 0.20 12.90 -2 -1 -26 6.90 12.30 2 1 26 16.80 13.60 2 1 26 10.00 10.90 -3 -1 -26 10.80 13.10 3 1 26 4.50 12.10 3 1 26 11.50 11.50 0 -2 -26 82.19 17.40 0 2 26 66.79 17.40 0 2 26 48.50 16.10 -1 -2 -26 5.60 11.40 1 2 26 -12.70 12.10 1 2 26 -11.20 11.90 1 2 26 6.00 10.60 -2 -2 -26 5.70 11.70 2 2 26 0.50 10.80 2 2 26 39.60 16.40 2 2 26 2.90 12.20 -3 -2 -26 8.20 12.70 3 2 26 4.20 14.00 3 2 26 -6.90 11.50 -1 -3 -26 -13.30 10.60 1 3 26 14.10 13.20 1 3 26 -8.30 12.60 -2 -3 -26 -16.20 10.90 2 3 26 9.20 10.80 2 3 26 -7.60 11.40 3 3 26 10.40 11.40 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 9614 _shelx_res_file ; TITL TriklinP_a.res in P-1 CELL 0.71073 7.4841 8.5868 18.5228 83.782 81.868 71.189 ZERR 1.000 0.0010 0.0011 0.0023 0.004 0.004 0.004 LATT 1 SFAC C H N S CO DISP $C 0.00341 0.00169 11.32113!source kissel DISP $H -0.00002 0.00000 0.66638!source kissel DISP $N 0.00664 0.00342 19.38436!source kissel DISP $S 0.12652 0.12558 524.34997!source kissel DISP $Co 0.35058 0.98096 3989.89987!source kissel UNIT 40 74 8 4 1 TEMP -150 SIZE 0.05 0.10 0.17 L.S. 20 BOND $H HTAB C5 N1 EQIV $1 -x+1, -y+1, -z HTAB C5 S1_$1 EQIV $2 x-1, y, z HTAB C7 S1_$2 EQIV $3 -x, -y+2, -z HTAB C7 N2_$3 HTAB C8 S1_$2 EQIV $4 -x, -y+1, -z HTAB C9 S1_$4 CONF LIST 4 ACTA 50 FMAP 2 PLAN 10 OMIT 0 0 1 OMIT 0 0 2 OMIT 4 1 1 OMIT 3 1 1 OMIT 0 1 0 OMIT 3 2 3 WGHT 0.037900 0.284800 FVAR 0.49035 CO1 5 0.000000 1.000000 0.000000 10.50000 0.00924 0.01194 = 0.01720 -0.00267 -0.00263 -0.00131 C1 1 0.393656 0.731149 -0.051933 11.00000 0.02002 0.01057 = 0.01666 0.00137 -0.00642 -0.00749 N1 3 0.243227 0.806264 -0.026652 11.00000 0.01345 0.01445 = 0.02497 -0.00149 -0.00119 -0.00161 S1 4 0.606230 0.630236 -0.087530 11.00000 0.01325 0.02180 = 0.02989 -0.00986 0.00221 -0.00331 C2 1 0.151336 1.064404 0.144585 11.00000 0.01786 0.01738 = 0.02007 -0.00084 -0.00059 -0.01002 N2 3 0.118922 1.050597 0.086751 11.00000 0.01792 0.02064 = 0.02116 -0.00184 -0.00262 -0.00890 S2 4 0.196190 1.078633 0.226937 11.00000 0.04141 0.04467 = 0.01878 -0.00227 -0.00725 -0.02267 N3 3 -0.148931 0.833848 0.078811 11.00000 0.00980 0.01236 = 0.01717 -0.00204 -0.00274 -0.00150 C3 1 -0.150582 0.856020 0.156739 11.00000 0.02895 0.03080 = 0.01842 -0.00148 -0.00304 -0.01954 AFIX 23 H3A 2 -0.202942 0.974842 0.165395 11.00000 -1.20000 H3B 2 -0.018820 0.815679 0.169807 11.00000 -1.20000 AFIX 0 C4 1 -0.271432 0.761498 0.205744 11.00000 0.02620 0.02569 = 0.01850 -0.00474 -0.00288 -0.01443 AFIX 23 H4A 2 -0.206586 0.707180 0.249065 11.00000 -1.20000 H4B 2 -0.396438 0.839154 0.222871 11.00000 -1.20000 AFIX 0 N4 3 -0.298376 0.634543 0.162436 11.00000 0.01338 0.01384 = 0.01664 0.00067 -0.00166 -0.00500 C5 1 -0.044384 0.659951 0.065491 11.00000 0.01968 0.01440 = 0.03076 0.00060 0.00476 0.00152 AFIX 23 H5A 2 0.093310 0.640748 0.065603 11.00000 -1.20000 H5B 2 -0.065027 0.636567 0.016691 11.00000 -1.20000 AFIX 0 C6 1 -0.109158 0.541821 0.123901 11.00000 0.01564 0.01675 = 0.02843 0.00249 0.00282 0.00087 AFIX 23 H6A 2 -0.120348 0.447395 0.100622 11.00000 -1.20000 H6B 2 -0.014718 0.498627 0.159438 11.00000 -1.20000 AFIX 0 C7 1 -0.348266 0.861813 0.066078 11.00000 0.01312 0.01606 = 0.02129 0.00314 -0.00640 -0.00473 AFIX 23 H7A 2 -0.355704 0.866512 0.012909 11.00000 -1.20000 H7B 2 -0.428779 0.969279 0.084315 11.00000 -1.20000 AFIX 0 C8 1 -0.424883 0.724322 0.104714 11.00000 0.01890 0.01990 = 0.01823 0.00513 -0.00806 -0.00885 AFIX 23 H8A 2 -0.556792 0.772502 0.127471 11.00000 -1.20000 H8B 2 -0.425107 0.646796 0.068894 11.00000 -1.20000 AFIX 0 C9 1 -0.374602 0.512585 0.210777 11.00000 0.02186 0.01976 = 0.01777 0.00382 -0.00362 -0.00961 AFIX 23 H9A 2 -0.285961 0.460916 0.247796 11.00000 -1.20000 H9B 2 -0.374602 0.424389 0.180498 11.00000 -1.20000 AFIX 0 C10 1 -0.572921 0.580753 0.250398 11.00000 0.02217 0.02097 = 0.02356 0.00089 -0.00025 -0.00841 AFIX 23 H10A 2 -0.666368 0.622257 0.214412 11.00000 -1.20000 H10B 2 -0.578598 0.673851 0.278782 11.00000 -1.20000 AFIX 0 C11 1 -0.621753 0.445530 0.301591 11.00000 0.02369 0.02269 = 0.02175 0.00250 -0.00205 -0.00954 AFIX 23 H11A 2 -0.594388 0.346242 0.274098 11.00000 -1.20000 H11B 2 -0.538610 0.416207 0.341307 11.00000 -1.20000 AFIX 0 C12 1 -0.827392 0.493458 0.335249 11.00000 0.02160 0.02346 = 0.02541 0.00338 -0.00151 -0.00726 AFIX 23 H12A 2 -0.910502 0.513504 0.295889 11.00000 -1.20000 H12B 2 -0.858083 0.597790 0.359377 11.00000 -1.20000 AFIX 0 C13 1 -0.869711 0.362798 0.390795 11.00000 0.02166 0.02281 = 0.02161 0.00042 -0.00050 -0.00775 AFIX 23 H13A 2 -0.790941 0.347828 0.431227 11.00000 -1.20000 H13B 2 -0.830132 0.257043 0.367155 11.00000 -1.20000 AFIX 0 C14 1 -1.076307 0.399352 0.423162 11.00000 0.01983 0.02362 = 0.02697 0.00088 -0.00209 -0.00749 AFIX 23 H14A 2 -1.155952 0.410860 0.383329 11.00000 -1.20000 H14B 2 -1.117875 0.505634 0.446459 11.00000 -1.20000 AFIX 0 C15 1 -1.107185 0.264903 0.479594 11.00000 0.01814 0.02152 = 0.02777 0.00013 -0.00088 -0.00501 AFIX 23 H15A 2 -1.054571 0.157586 0.457128 11.00000 -1.20000 H15B 2 -1.034380 0.259849 0.520914 11.00000 -1.20000 AFIX 0 C16 1 -1.313304 0.287767 0.509566 11.00000 0.02039 0.02008 = 0.02883 0.00167 -0.00178 -0.00502 AFIX 23 H16A 2 -1.361634 0.387740 0.537577 11.00000 -1.20000 H16B 2 -1.389526 0.306215 0.468089 11.00000 -1.20000 AFIX 0 C17 1 -1.342062 0.142295 0.558626 11.00000 0.02003 0.02063 = 0.02510 0.00262 0.00041 -0.00441 AFIX 23 H17A 2 -1.272422 0.128578 0.601710 11.00000 -1.20000 H17B 2 -1.285671 0.041165 0.531638 11.00000 -1.20000 AFIX 0 C18 1 -1.549112 0.158693 0.585100 11.00000 0.01853 0.02144 = 0.02803 -0.00128 -0.00070 -0.00495 AFIX 23 H18A 2 -1.602225 0.253141 0.616377 11.00000 -1.20000 H18B 2 -1.621714 0.183153 0.542298 11.00000 -1.20000 AFIX 0 C19 1 -1.575995 0.005070 0.627991 11.00000 0.02528 0.02619 = 0.02440 -0.00076 -0.00162 -0.00992 AFIX 23 H19A 2 -1.510849 -0.014757 0.672621 11.00000 -1.20000 H19B 2 -1.514568 -0.090762 0.597991 11.00000 -1.20000 AFIX 0 C20 1 -1.784334 0.016081 0.650213 11.00000 0.02804 0.03376 = 0.02869 -0.00274 0.00045 -0.01520 AFIX 33 H20A 2 -1.791395 -0.086464 0.677551 11.00000 -1.50000 H20B 2 -1.849371 0.032809 0.606311 11.00000 -1.50000 H20C 2 -1.845668 0.108949 0.681009 11.00000 -1.50000 AFIX 0 HKLF 4 REM TriklinP_a.res in P-1 REM R1 = 0.0489 for 4509 Fo > 4sig(Fo) and 0.0932 for all 6802 data REM 241 parameters refined using 0 restraints END WGHT 0.0377 0.2906 REM Highest difference peak 0.532, deepest hole -0.646, 1-sigma level 0.083 Q1 1 -0.0296 0.9805 0.0616 11.00000 0.05 0.53 Q2 1 -0.1572 0.8416 0.1205 11.00000 0.05 0.45 Q3 1 0.0819 0.8580 -0.0191 11.00000 0.05 0.40 Q4 1 0.1200 0.8616 -0.0082 11.00000 0.05 0.40 Q5 1 -0.0620 0.8941 0.0477 11.00000 0.05 0.38 Q6 1 -0.7155 0.4673 0.3194 11.00000 0.05 0.37 Q7 1 -0.2361 0.8585 0.0736 11.00000 0.05 0.37 Q8 1 0.1936 1.1037 0.1740 11.00000 0.05 0.36 Q9 1 0.1154 1.0472 0.0335 11.00000 0.05 0.35 Q10 1 -0.1041 1.0126 0.0128 11.00000 0.05 0.35 ; _shelx_res_checksum 88014 _shelxl_version_number 201.4 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy Co Co1 0.0000 1.0000 0.0000 0.01303(10) Uani d 1 C C1 0.3937(3) 0.7311(2) -0.05190(10) 0.0148(4) Uani d 1 N N1 0.2432(2) 0.8063(2) -0.02670(10) 0.0184(4) Uani d 1 S S1 0.60623(7) 0.63024(7) -0.08753(3) 0.02200(10) Uani d 1 C C2 0.1513(3) 1.0644(3) 0.14460(10) 0.0175(4) Uani d 1 N N2 0.1189(2) 1.0506(2) 0.08680(10) 0.0191(4) Uani d 1 S S2 0.19619(9) 1.07863(8) 0.22694(3) 0.0323(2) Uani d 1 N N3 -0.1489(2) 0.8338(2) 0.07881(9) 0.0134(3) Uani d 1 C C3 -0.1506(3) 0.8560(3) 0.15670(10) 0.0236(5) Uani d 1 H H3A -0.2029 0.9748 0.1654 0.028 Uiso calc 1 H H3B -0.0188 0.8157 0.1698 0.028 Uiso calc 1 C C4 -0.2714(3) 0.7615(3) 0.20570(10) 0.0216(5) Uani d 1 H H4A -0.2066 0.7072 0.2491 0.026 Uiso calc 1 H H4B -0.3964 0.8392 0.2229 0.026 Uiso calc 1 N N4 -0.2984(2) 0.6345(2) 0.16244(9) 0.0146(3) Uani d 1 C C5 -0.0444(3) 0.6600(3) 0.06550(10) 0.0242(5) Uani d 1 H H5A 0.0933 0.6407 0.0656 0.029 Uiso calc 1 H H5B -0.0650 0.6366 0.0167 0.029 Uiso calc 1 C C6 -0.1092(3) 0.5418(3) 0.12390(10) 0.0226(5) Uani d 1 H H6A -0.1203 0.4474 0.1006 0.027 Uiso calc 1 H H6B -0.0147 0.4986 0.1594 0.027 Uiso calc 1 C C7 -0.3483(3) 0.8618(2) 0.06610(10) 0.0167(4) Uani d 1 H H7A -0.3557 0.8665 0.0129 0.020 Uiso calc 1 H H7B -0.4288 0.9693 0.0843 0.020 Uiso calc 1 C C8 -0.4249(3) 0.7243(3) 0.10470(10) 0.0182(4) Uani d 1 H H8A -0.5568 0.7725 0.1275 0.022 Uiso calc 1 H H8B -0.4251 0.6468 0.0689 0.022 Uiso calc 1 C C9 -0.3746(3) 0.5126(3) 0.21080(10) 0.0193(4) Uani d 1 H H9A -0.2860 0.4609 0.2478 0.023 Uiso calc 1 H H9B -0.3746 0.4244 0.1805 0.023 Uiso calc 1 C C10 -0.5729(3) 0.5808(3) 0.25040(10) 0.0222(5) Uani d 1 H H10A -0.6664 0.6223 0.2144 0.027 Uiso calc 1 H H10B -0.5786 0.6739 0.2788 0.027 Uiso calc 1 C C11 -0.6218(3) 0.4455(3) 0.30160(10) 0.0225(5) Uani d 1 H H11A -0.5944 0.3462 0.2741 0.027 Uiso calc 1 H H11B -0.5386 0.4162 0.3413 0.027 Uiso calc 1 C C12 -0.8274(3) 0.4935(3) 0.33520(10) 0.0239(5) Uani d 1 H H12A -0.9105 0.5135 0.2959 0.029 Uiso calc 1 H H12B -0.8581 0.5978 0.3594 0.029 Uiso calc 1 C C13 -0.8697(3) 0.3628(3) 0.39080(10) 0.0222(5) Uani d 1 H H13A -0.7909 0.3478 0.4312 0.027 Uiso calc 1 H H13B -0.8301 0.2570 0.3672 0.027 Uiso calc 1 C C14 -1.0763(3) 0.3994(3) 0.42320(10) 0.0236(5) Uani d 1 H H14A -1.1560 0.4109 0.3833 0.028 Uiso calc 1 H H14B -1.1179 0.5056 0.4465 0.028 Uiso calc 1 C C15 -1.1072(3) 0.2649(3) 0.47960(10) 0.0231(5) Uani d 1 H H15A -1.0546 0.1576 0.4571 0.028 Uiso calc 1 H H15B -1.0344 0.2598 0.5209 0.028 Uiso calc 1 C C16 -1.3133(3) 0.2878(3) 0.50960(10) 0.0238(5) Uani d 1 H H16A -1.3616 0.3877 0.5376 0.029 Uiso calc 1 H H16B -1.3895 0.3062 0.4681 0.029 Uiso calc 1 C C17 -1.3421(3) 0.1423(3) 0.55860(10) 0.0230(5) Uani d 1 H H17A -1.2724 0.1286 0.6017 0.028 Uiso calc 1 H H17B -1.2857 0.0412 0.5316 0.028 Uiso calc 1 C C18 -1.5491(3) 0.1587(3) 0.58510(10) 0.0232(5) Uani d 1 H H18A -1.6022 0.2531 0.6164 0.028 Uiso calc 1 H H18B -1.6217 0.1832 0.5423 0.028 Uiso calc 1 C C19 -1.5760(3) 0.0051(3) 0.62800(10) 0.0250(5) Uani d 1 H H19A -1.5108 -0.0148 0.6726 0.030 Uiso calc 1 H H19B -1.5146 -0.0908 0.5980 0.030 Uiso calc 1 C C20 -1.7843(3) 0.0161(3) 0.65020(10) 0.0291(5) Uani d 1 H H20A -1.7914 -0.0865 0.6776 0.044 Uiso calc 1 H H20B -1.8494 0.0328 0.6063 0.044 Uiso calc 1 H H20C -1.8457 0.1089 0.6810 0.044 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 Co1 0.0092(2) 0.0119(2) 0.0172(2) -0.0013(2) -0.0026(2) -0.0027(2) C1 0.0200(10) 0.0110(10) 0.0170(10) -0.0075(8) -0.0064(8) 0.0014(8) N1 0.0135(8) 0.0145(9) 0.0250(10) -0.0016(7) -0.0012(7) -0.0015(7) S1 0.0133(3) 0.0218(3) 0.0299(3) -0.0033(2) 0.0022(2) -0.0099(2) C2 0.0180(10) 0.0170(10) 0.0200(10) -0.0100(8) -0.0006(8) -0.0008(8) N2 0.0179(9) 0.0210(10) 0.0210(10) -0.0089(7) -0.0026(7) -0.0018(7) S2 0.0414(4) 0.0447(4) 0.0188(3) -0.0227(3) -0.0072(3) -0.0023(3) N3 0.0098(7) 0.0124(8) 0.0172(9) -0.0015(6) -0.0027(6) -0.0020(7) C3 0.0290(10) 0.0310(10) 0.0180(10) -0.0200(10) -0.0030(9) -0.0015(9) C4 0.0260(10) 0.0260(10) 0.0190(10) -0.0140(10) -0.0029(9) -0.0047(9) N4 0.0134(8) 0.0138(9) 0.0166(9) -0.0050(7) -0.0017(7) 0.0007(7) C5 0.0200(10) 0.0140(10) 0.0310(10) 0.0015(9) 0.0048(9) 0.0006(9) C6 0.0160(10) 0.0170(10) 0.0280(10) 0.0009(8) 0.0028(9) 0.0025(9) C7 0.0131(9) 0.0160(10) 0.0210(10) -0.0047(8) -0.0064(8) 0.0031(8) C8 0.0190(10) 0.0200(10) 0.0180(10) -0.0089(9) -0.0081(8) 0.0051(8) C9 0.0220(10) 0.0200(10) 0.0180(10) -0.0096(9) -0.0036(8) 0.0038(8) C10 0.0220(10) 0.0210(10) 0.0240(10) -0.0084(9) -0.0003(9) 0.0009(9) C11 0.0240(10) 0.0230(10) 0.0220(10) -0.0095(9) -0.0020(9) 0.0025(9) C12 0.0220(10) 0.0230(10) 0.0250(10) -0.0073(9) -0.0015(9) 0.0034(9) C13 0.0220(10) 0.0230(10) 0.0220(10) -0.0078(9) -0.0005(9) 0.0004(9) C14 0.0200(10) 0.0240(10) 0.0270(10) -0.0075(9) -0.0021(9) 0.0009(9) C15 0.0180(10) 0.0220(10) 0.0280(10) -0.0050(9) -0.0009(9) 0.0001(9) C16 0.0200(10) 0.0200(10) 0.0290(10) -0.0050(9) -0.0018(9) 0.0017(9) C17 0.0200(10) 0.0210(10) 0.0250(10) -0.0044(9) 0.0004(9) 0.0026(9) C18 0.0190(10) 0.0210(10) 0.0280(10) -0.0049(9) -0.0007(9) -0.0013(9) C19 0.0250(10) 0.0260(10) 0.0240(10) -0.0100(10) -0.0016(9) -0.0010(10) C20 0.0280(10) 0.0340(10) 0.0290(10) -0.0150(10) 0.0000(10) -0.0030(10) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0034 0.0017 '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 0.0066 0.0034 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1265 0.1256 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3506 0.9810 '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 N1 Co1 N1 2_575 . 180.0 N1 Co1 N2 2_575 . 88.95(7) N1 Co1 N2 . . 91.05(7) N1 Co1 N2 2_575 2_575 91.05(7) N1 Co1 N2 . 2_575 88.95(7) N2 Co1 N2 . 2_575 180.0 N1 Co1 N3 2_575 . 85.89(6) N1 Co1 N3 . . 94.11(6) N2 Co1 N3 . . 90.94(6) N2 Co1 N3 2_575 . 89.06(6) N1 Co1 N3 2_575 2_575 94.11(6) N1 Co1 N3 . 2_575 85.89(6) N2 Co1 N3 . 2_575 89.06(6) N2 Co1 N3 2_575 2_575 90.94(6) N3 Co1 N3 . 2_575 180.0 N1 C1 S1 . . 178.5(2) C1 N1 Co1 . . 162.0(2) N2 C2 S2 . . 178.3(2) C2 N2 Co1 . . 163.3(2) C3 N3 C5 . . 108.1(2) C3 N3 C7 . . 107.1(2) C5 N3 C7 . . 106.8(2) C3 N3 Co1 . . 113.20(10) C5 N3 Co1 . . 108.10(10) C7 N3 Co1 . . 113.30(10) N3 C3 C4 . . 111.1(2) N3 C3 H3A . . 109.4 C4 C3 H3A . . 109.4 N3 C3 H3B . . 109.4 C4 C3 H3B . . 109.4 H3A C3 H3B . . 108.0 N4 C4 C3 . . 108.9(2) N4 C4 H4A . . 109.9 C3 C4 H4A . . 109.9 N4 C4 H4B . . 109.9 C3 C4 H4B . . 109.9 H4A C4 H4B . . 108.3 C4 N4 C6 . . 108.7(2) C4 N4 C9 . . 111.6(2) C6 N4 C9 . . 108.2(2) C4 N4 C8 . . 107.7(2) C6 N4 C8 . . 107.5(2) C9 N4 C8 . . 113.0(2) N3 C5 C6 . . 111.6(2) N3 C5 H5A . . 109.3 C6 C5 H5A . . 109.3 N3 C5 H5B . . 109.3 C6 C5 H5B . . 109.3 H5A C5 H5B . . 108.0 N4 C6 C5 . . 108.7(2) N4 C6 H6A . . 110.0 C5 C6 H6A . . 110.0 N4 C6 H6B . . 110.0 C5 C6 H6B . . 110.0 H6A C6 H6B . . 108.3 N3 C7 C8 . . 111.7(2) N3 C7 H7A . . 109.3 C8 C7 H7A . . 109.3 N3 C7 H7B . . 109.3 C8 C7 H7B . . 109.3 H7A C7 H7B . . 107.9 N4 C8 C7 . . 108.3(2) N4 C8 H8A . . 110.0 C7 C8 H8A . . 110.0 N4 C8 H8B . . 110.0 C7 C8 H8B . . 110.0 H8A C8 H8B . . 108.4 N4 C9 C10 . . 116.2(2) N4 C9 H9A . . 108.2 C10 C9 H9A . . 108.2 N4 C9 H9B . . 108.2 C10 C9 H9B . . 108.2 H9A C9 H9B . . 107.4 C9 C10 C11 . . 109.6(2) C9 C10 H10A . . 109.7 C11 C10 H10A . . 109.7 C9 C10 H10B . . 109.7 C11 C10 H10B . . 109.7 H10A C10 H10B . . 108.2 C12 C11 C10 . . 113.7(2) C12 C11 H11A . . 108.8 C10 C11 H11A . . 108.8 C12 C11 H11B . . 108.8 C10 C11 H11B . . 108.8 H11A C11 H11B . . 107.7 C11 C12 C13 . . 113.0(2) C11 C12 H12A . . 109.0 C13 C12 H12A . . 109.0 C11 C12 H12B . . 109.0 C13 C12 H12B . . 109.0 H12A C12 H12B . . 107.8 C12 C13 C14 . . 115.4(2) C12 C13 H13A . . 108.4 C14 C13 H13A . . 108.4 C12 C13 H13B . . 108.4 C14 C13 H13B . . 108.4 H13A C13 H13B . . 107.5 C13 C14 C15 . . 112.5(2) C13 C14 H14A . . 109.1 C15 C14 H14A . . 109.1 C13 C14 H14B . . 109.1 C15 C14 H14B . . 109.1 H14A C14 H14B . . 107.8 C16 C15 C14 . . 114.9(2) C16 C15 H15A . . 108.5 C14 C15 H15A . . 108.5 C16 C15 H15B . . 108.5 C14 C15 H15B . . 108.5 H15A C15 H15B . . 107.5 C17 C16 C15 . . 113.7(2) C17 C16 H16A . . 108.8 C15 C16 H16A . . 108.8 C17 C16 H16B . . 108.8 C15 C16 H16B . . 108.8 H16A C16 H16B . . 107.7 C16 C17 C18 . . 114.3(2) C16 C17 H17A . . 108.7 C18 C17 H17A . . 108.7 C16 C17 H17B . . 108.7 C18 C17 H17B . . 108.7 H17A C17 H17B . . 107.6 C19 C18 C17 . . 113.4(2) C19 C18 H18A . . 108.9 C17 C18 H18A . . 108.9 C19 C18 H18B . . 108.9 C17 C18 H18B . . 108.9 H18A C18 H18B . . 107.7 C18 C19 C20 . . 113.7(2) C18 C19 H19A . . 108.8 C20 C19 H19A . . 108.8 C18 C19 H19B . . 108.8 C20 C19 H19B . . 108.8 H19A C19 H19B . . 107.7 C19 C20 H20A . . 109.5 C19 C20 H20B . . 109.5 H20A C20 H20B . . 109.5 C19 C20 H20C . . 109.5 H20A C20 H20C . . 109.5 H20B C20 H20C . . 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance Co1 N1 2_575 2.072(2) Co1 N1 . 2.073(2) Co1 N2 . 2.090(2) Co1 N2 2_575 2.090(2) Co1 N3 . 2.350(2) Co1 N3 2_575 2.350(2) C1 N1 . 1.162(3) C1 S1 . 1.629(2) C2 N2 . 1.158(3) C2 S2 . 1.633(2) N3 C3 . 1.474(3) N3 C5 . 1.475(2) N3 C7 . 1.482(2) C3 C4 . 1.543(3) C3 H3A . 0.9900 C3 H3B . 0.9900 C4 N4 . 1.500(3) C4 H4A . 0.9900 C4 H4B . 0.9900 N4 C6 . 1.503(2) N4 C9 . 1.504(2) N4 C8 . 1.507(2) C5 C6 . 1.538(3) C5 H5A . 0.9900 C5 H5B . 0.9900 C6 H6A . 0.9900 C6 H6B . 0.9900 C7 C8 . 1.540(3) C7 H7A . 0.9900 C7 H7B . 0.9900 C8 H8A . 0.9900 C8 H8B . 0.9900 C9 C10 . 1.519(3) C9 H9A . 0.9900 C9 H9B . 0.9900 C10 C11 . 1.523(3) C10 H10A . 0.9900 C10 H10B . 0.9900 C11 C12 . 1.517(3) C11 H11A . 0.9900 C11 H11B . 0.9900 C12 C13 . 1.518(3) C12 H12A . 0.9900 C12 H12B . 0.9900 C13 C14 . 1.521(3) C13 H13A . 0.9900 C13 H13B . 0.9900 C14 C15 . 1.524(3) C14 H14A . 0.9900 C14 H14B . 0.9900 C15 C16 . 1.521(3) C15 H15A . 0.9900 C15 H15B . 0.9900 C16 C17 . 1.518(3) C16 H16A . 0.9900 C16 H16B . 0.9900 C17 C18 . 1.523(3) C17 H17A . 0.9900 C17 H17B . 0.9900 C18 C19 . 1.520(3) C18 H18A . 0.9900 C18 H18B . 0.9900 C19 C20 . 1.530(3) C19 H19A . 0.9900 C19 H19B . 0.9900 C20 H20A . 0.9800 C20 H20B . 0.9800 C20 H20C . 0.9800 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 C5 H5A N1 . 0.99 2.48 3.060(3) 116.9 y C5 H5A S1 2_665 0.99 2.70 3.467(2) 134.0 y C7 H7A S1 1_455 0.99 3.00 3.755(2) 134.0 y C7 H7A N2 2_575 0.99 2.58 3.244(3) 124.4 y C8 H8B S1 1_455 0.99 2.89 3.695(2) 139.2 y C9 H9B S1 2_565 0.99 2.78 3.580(2) 138.2 y 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 C5 N3 C3 C4 -67.5(2) C7 N3 C3 C4 47.2(2) Co1 N3 C3 C4 172.80(10) N3 C3 C4 N4 18.0(2) C3 C4 N4 C6 47.5(2) C3 C4 N4 C9 166.7(2) C3 C4 N4 C8 -68.7(2) C3 N3 C5 C6 46.8(2) C7 N3 C5 C6 -68.0(2) Co1 N3 C5 C6 169.70(10) C4 N4 C6 C5 -67.5(2) C9 N4 C6 C5 171.1(2) C8 N4 C6 C5 48.9(2) N3 C5 C6 N4 17.8(3) C3 N3 C7 C8 -68.4(2) C5 N3 C7 C8 47.2(2) Co1 N3 C7 C8 166.10(10) C4 N4 C8 C7 48.3(2) C6 N4 C8 C7 -68.7(2) C9 N4 C8 C7 172.1(2) N3 C7 C8 N4 18.0(2) C4 N4 C9 C10 64.9(2) C6 N4 C9 C10 -175.6(2) C8 N4 C9 C10 -56.7(2) N4 C9 C10 C11 -175.2(2) C9 C10 C11 C12 -171.3(2) C10 C11 C12 C13 -175.3(2) C11 C12 C13 C14 -176.5(2) C12 C13 C14 C15 -178.7(2) C13 C14 C15 C16 -175.4(2) C14 C15 C16 C17 173.1(2) C15 C16 C17 C18 -176.3(2) C16 C17 C18 C19 174.4(2) C17 C18 C19 C20 -176.0(2) _cod_database_fobs_code 1557177