#------------------------------------------------------------------------------ #$Date: 2023-08-30 04:47:45 +0300 (Wed, 30 Aug 2023) $ #$Revision: 285904 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/22/2312282.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_2312282 loop_ _publ_author_name 'Wzgarda-Raj, Kinga' 'Dominikowska, Justyna' 'Husik, Natallia' 'Rybarczyk-Pirek, Agnieszka J' _publ_section_title ; 2,2'-Dithiobispyrazine: about the disulfide bond. ; _journal_coeditor_code DG3042 _journal_issue 9 _journal_name_full 'Acta crystallographica. Section C, Structural chemistry' _journal_paper_doi 10.1107/S2053229623007416 _journal_volume 79 _journal_year 2023 _chemical_formula_iupac 'C8 H6 N4 S2' _chemical_formula_moiety 'C8 H6 N4 S2' _chemical_formula_sum 'C8 H6 N4 S2' _chemical_formula_weight 222.29 _chemical_name_common ; 2,2'-Dithiobispyrazine ; _chemical_name_systematic ; 2-(Pyrazin-2-yldisulfanyl)pyrazine ; _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_method ; Olex2 1.5 (compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748) ; _cell_angle_alpha 91.524(2) _cell_angle_beta 95.245(2) _cell_angle_gamma 106.024(2) _cell_formula_units_Z 2 _cell_length_a 5.68320(10) _cell_length_b 7.4639(2) _cell_length_c 11.7473(3) _cell_measurement_reflns_used 6130 _cell_measurement_temperature 293 _cell_measurement_theta_max 29.1730 _cell_measurement_theta_min 2.8330 _cell_volume 476.24(2) _computing_cell_refinement ; CrysAlis PRO (Rigaku OD, 2020) ; _computing_data_collection ; CrysAlis PRO (Rigaku OD, 2020) ; _computing_data_reduction ; CrysAlis PRO (Rigaku OD, 2020) ; _computing_molecular_graphics ; OLEX2 (Dolomanov et al., 2009) ; _computing_publication_material ; OLEX2 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 293 _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.834 _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Rigaku XtaLAB Synergy Dualflex diffractometer with a HyPix detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0324 _diffrn_reflns_av_unetI/netI 0.0221 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 13219 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.052 _diffrn_reflns_theta_min 2.844 _diffrn_source 'micro-focus sealed X-ray tube' _exptl_absorpt_coefficient_mu 0.520 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.646 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; (CrysAlis PRO; Rigaku OD, 2020) ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.550 _exptl_crystal_description 'cut plate' _exptl_crystal_F_000 228 _exptl_crystal_size_max 0.237 _exptl_crystal_size_mid 0.080 _exptl_crystal_size_min 0.034 _refine_diff_density_max 0.243 _refine_diff_density_min -0.263 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.080 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 127 _refine_ls_number_reflns 2551 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.080 _refine_ls_R_factor_all 0.0447 _refine_ls_R_factor_gt 0.0324 _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^)+(0.0388P)^2^+0.0599P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0819 _refine_ls_wR_factor_ref 0.0867 _reflns_number_gt 1990 _reflns_number_total 2551 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file dg3042sup1.cif _cod_data_source_block I _cod_database_code 2312282 _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_hkl_file ; 0 0 2 96.72 2.77 0 0 2 96.83 2.58 0 0 2 87.62 3.01 0 0 3 4712.61 87.09 0 0 3 4781.90 86.63 0 0 3 4753.71 87.91 0 0 4 58.98 2.36 0 0 -4 54.35 2.58 0 0 -4 61.47 3.03 0 0 4 58.42 3.06 0 0 5 671.82 14.41 0 0 -5 680.25 15.20 0 0 -5 680.99 15.91 0 0 5 664.11 16.25 0 0 6 1765.56 34.26 0 0 -6 1768.33 34.87 0 0 -6 1742.58 35.42 0 0 -6 1771.42 36.28 0 0 6 1717.75 36.89 0 0 -7 5.12 1.25 0 0 7 3.17 1.17 0 0 -7 4.54 1.16 0 0 -7 4.39 0.99 0 0 8 8.33 1.82 0 0 8 5.56 1.04 0 0 -8 11.11 1.51 0 0 -8 8.87 1.50 0 0 8 8.61 1.51 0 0 9 143.78 5.32 0 0 9 154.55 6.09 0 0 9 153.11 7.55 0 0 9 136.64 6.56 0 0 -9 144.09 5.90 0 0 -9 136.82 6.26 0 0 9 142.76 6.21 0 0 10 48.82 2.97 0 0 10 40.14 4.05 0 0 10 49.72 3.44 0 0 10 44.64 3.87 0 0 -10 39.50 3.11 0 0 -10 47.19 3.68 0 0 10 52.11 3.70 0 0 11 2.67 0.91 0 0 11 1.47 1.36 0 0 11 2.01 1.09 0 0 11 2.82 1.41 0 0 -11 4.32 1.44 0 0 -11 1.98 1.07 0 0 11 2.31 1.08 0 0 12 0.21 0.68 0 0 12 2.65 1.66 0 0 12 -0.30 0.88 0 0 12 0.44 1.26 0 0 -12 0.78 1.12 0 0 -12 1.77 1.06 0 0 12 0.35 0.97 0 0 12 1.31 1.51 0 0 13 35.80 2.62 0 0 13 32.85 3.19 0 0 -13 36.52 3.76 0 0 13 43.31 5.41 0 0 13 34.49 3.51 0 0 -13 32.41 3.04 0 0 13 36.83 4.14 0 0 -14 1.15 0.94 0 0 -14 2.18 1.47 0 0 14 4.74 2.48 0 0 14 0.51 1.93 0 0 -15 -0.45 1.29 0 -1 15 0.68 1.77 0 -1 14 1.95 2.19 0 -1 14 0.46 1.34 0 -1 13 -0.61 1.51 0 -1 13 -1.01 0.79 0 -1 13 0.44 1.44 0 -1 13 -0.41 1.69 0 -1 12 13.81 3.02 0 -1 12 11.72 1.58 0 -1 12 13.29 2.33 0 1 -12 12.57 1.35 0 -1 12 8.75 2.19 0 -1 11 5.11 0.82 0 -1 11 6.39 1.97 0 -1 11 5.72 1.14 0 -1 11 4.83 1.48 0 1 -11 6.36 1.47 0 1 -11 6.40 1.08 0 -1 11 4.70 1.45 0 -1 10 90.65 3.39 0 -1 10 105.72 4.30 0 -1 10 100.43 6.76 0 -1 10 100.10 5.34 0 1 -10 102.67 3.95 0 1 -10 98.32 4.88 0 -1 10 94.09 5.57 0 -1 9 9.01 1.85 0 -1 9 9.96 1.03 0 -1 9 10.12 2.14 0 -1 9 9.30 1.25 0 -1 9 10.39 1.73 0 1 -9 9.04 1.19 0 1 -9 11.59 1.61 0 -1 9 9.15 0.91 0 -1 8 220.61 8.23 0 -1 8 200.96 5.43 0 -1 8 206.21 6.08 0 -1 8 191.86 8.65 0 -1 8 208.61 7.32 0 1 -8 198.36 5.82 0 1 -8 209.06 6.79 0 -1 8 211.53 5.58 0 -1 7 12.81 1.83 0 -1 7 13.50 1.05 0 -1 7 14.83 2.25 0 -1 7 15.26 1.70 0 1 -7 17.56 1.31 0 1 -7 13.61 1.44 0 -1 7 17.67 1.33 0 -1 6 1739.56 32.73 0 -1 6 1763.52 32.73 0 -1 6 1671.63 32.97 0 1 -6 1765.63 33.16 0 -1 6 1695.86 34.76 0 -1 6 1814.42 37.49 0 -1 6 1748.73 36.34 0 1 -6 1767.18 34.04 0 -1 6 1789.17 33.62 0 -1 5 575.69 11.82 0 -1 5 594.16 12.47 0 -1 5 541.34 11.73 0 -1 5 559.58 12.80 0 1 -5 586.20 11.58 0 1 -5 555.41 12.23 0 -1 5 607.08 15.03 0 -1 5 567.25 14.15 0 -1 4 4294.12 79.93 0 -1 4 4384.12 80.49 0 -1 4 4344.06 79.91 0 -1 4 4257.25 80.23 0 1 -4 4444.37 79.72 0 -1 4 4497.70 79.51 0 -1 4 4302.32 82.63 0 -1 4 4273.95 82.04 0 -1 3 9769.15 179.07 0 -1 3 9999.00 178.21 0 -1 3 9853.19 178.70 0 -1 3 9827.91 180.15 0 -1 2 449.60 9.93 0 -1 2 456.93 9.72 0 -1 2 449.27 9.11 0 -1 1 2256.19 40.47 0 -1 1 2190.00 40.15 0 -1 1 2145.37 40.98 0 1 -1 2186.90 41.07 0 -1 1 2140.89 40.88 0 -1 0 311.07 7.03 0 1 0 306.19 6.95 0 1 0 298.16 6.72 0 -1 0 311.47 7.05 0 1 1 370.75 7.62 0 -1 -1 370.92 7.57 0 1 1 367.18 8.48 0 -1 -1 396.08 8.70 0 1 1 376.82 8.30 0 1 1 362.90 8.15 0 1 2 702.11 14.62 0 1 2 660.35 13.69 0 -1 -2 692.09 14.90 0 1 2 695.19 13.98 0 -1 -3 2543.99 49.60 0 1 3 2599.89 48.16 0 -1 -3 2710.49 48.31 0 -1 -3 2632.87 48.51 0 1 3 2502.59 49.65 0 -1 -4 100.55 4.13 0 1 4 95.25 3.99 0 -1 -4 105.93 3.00 0 1 4 115.90 2.92 0 -1 -4 104.34 4.18 0 -1 -4 102.34 3.11 0 -1 -4 102.16 3.13 0 1 5 586.27 13.90 0 -1 -5 555.76 11.74 0 -1 -5 586.42 14.08 0 -1 -5 581.06 14.52 0 -1 -5 586.28 11.81 0 1 6 31.40 2.34 0 -1 -6 29.21 1.30 0 -1 -6 31.90 2.53 0 -1 -6 29.32 2.57 0 -1 -6 29.01 1.32 0 1 7 318.63 9.47 0 -1 -7 325.42 10.03 0 -1 -7 308.41 10.27 0 1 8 34.27 2.69 0 -1 -8 32.72 3.03 0 -1 -8 26.24 2.67 0 1 9 96.25 4.84 0 1 9 92.73 5.20 0 -1 -9 91.28 5.47 0 -1 -9 89.84 5.17 0 1 9 91.66 4.31 0 -1 -9 96.28 5.34 0 1 10 59.02 3.85 0 1 10 61.58 4.38 0 1 10 64.31 4.85 0 -1 -10 71.62 4.65 0 -1 -10 61.24 4.60 0 1 10 67.79 3.87 0 -1 -10 60.58 4.36 0 1 10 54.55 5.11 0 1 11 -0.29 0.85 0 1 11 -1.87 1.27 0 1 11 -1.38 1.38 0 -1 -11 0.75 1.03 0 -1 -11 -0.43 1.25 0 1 11 0.27 0.70 0 1 11 -1.18 1.62 0 1 12 0.61 0.88 0 1 12 -0.40 1.14 0 1 12 1.00 1.44 0 -1 -12 -0.40 1.04 0 -1 -12 0.47 1.34 0 1 12 -1.30 1.61 0 1 12 0.57 0.93 0 1 13 1.24 1.15 0 1 13 3.73 2.13 0 1 13 -0.83 1.40 0 1 13 -1.81 1.15 0 1 13 -0.72 1.40 0 -1 -13 0.41 1.13 0 -1 -13 0.99 1.22 0 1 14 0.85 1.29 0 1 14 -0.79 2.27 0 -1 -14 0.42 1.09 0 -1 -14 0.52 1.37 0 1 15 1.71 2.35 0 -1 -15 -1.09 1.64 0 -2 15 0.74 1.81 0 -2 14 -0.70 1.84 0 -2 14 2.41 2.22 0 -2 13 27.51 3.03 0 -2 13 24.18 2.70 0 -2 13 32.60 4.59 0 -2 13 31.86 3.90 0 -2 12 15.38 2.15 0 -2 12 12.96 2.66 0 -2 12 13.07 2.93 0 -2 12 15.31 1.36 0 -2 11 75.56 4.50 0 -2 11 74.30 5.56 0 -2 11 86.42 6.63 0 -2 11 76.00 3.47 0 -2 10 115.09 5.27 0 -2 10 110.91 6.49 0 -2 10 111.07 4.53 0 -2 10 110.01 7.21 0 -2 9 218.89 6.95 0 -2 9 220.84 5.95 0 -2 9 213.53 7.25 0 -2 9 208.25 5.89 0 -2 9 209.43 9.13 0 -2 9 204.97 9.74 0 -2 8 20.26 1.92 0 -2 8 23.26 1.72 0 -2 8 21.32 3.08 0 -2 8 19.23 1.79 0 -2 8 22.35 1.72 0 -2 8 21.50 2.68 0 -2 7 1131.93 23.97 0 -2 7 1106.70 21.21 0 -2 7 1170.21 23.33 0 -2 7 1130.05 23.31 0 -2 7 1086.71 23.14 0 -2 7 1069.13 23.15 0 -2 7 1169.59 27.64 0 -2 7 1129.73 26.53 0 -2 6 826.90 18.36 0 -2 6 822.27 16.08 0 -2 6 781.60 17.15 0 -2 6 809.59 17.79 0 -2 6 826.27 17.02 0 -2 6 838.19 17.84 0 -2 6 798.35 20.84 0 -2 6 798.46 20.17 0 -2 5 844.25 18.23 0 -2 5 802.56 16.08 0 -2 5 790.04 16.49 0 -2 5 793.29 17.56 0 -2 5 800.47 16.08 0 -2 5 813.81 17.63 0 -2 5 819.25 19.66 0 -2 4 0.09 0.28 0 -2 4 -0.18 0.52 0 -2 4 0.16 0.51 0 -2 4 0.17 0.30 0 -2 4 0.48 0.66 0 -2 3 271.07 6.51 0 -2 3 254.44 7.54 0 2 -3 256.82 5.97 0 -2 3 248.96 7.33 0 2 -3 259.31 7.51 0 -2 3 241.45 6.03 0 2 -3 263.39 6.37 0 -2 2 289.62 7.27 0 2 -2 285.06 7.39 0 -2 2 290.04 8.12 0 2 -2 289.58 6.85 0 -2 2 289.49 8.01 0 2 -2 291.91 7.05 0 -2 2 280.09 6.77 0 -2 1 554.13 12.03 0 2 -1 523.41 11.58 0 -2 1 558.10 12.67 0 2 -1 550.99 12.40 0 -2 1 550.73 12.61 0 -2 0 6659.41 126.40 0 -2 0 6978.21 126.32 0 2 0 7057.61 125.95 0 -2 0 6784.05 126.53 0 -2 -1 3182.74 58.04 0 -2 -1 3168.37 59.19 0 2 1 3172.38 59.05 0 2 1 3108.98 60.09 0 2 1 3214.83 60.45 0 -2 -1 3181.57 60.48 0 2 1 3189.42 60.42 0 -2 -2 12.53 1.31 0 2 2 15.01 1.41 0 2 2 12.72 1.53 0 2 2 12.14 1.00 0 -2 -2 11.15 1.47 0 2 2 12.44 1.38 0 2 3 39.45 2.33 0 2 3 42.63 1.84 0 2 3 43.78 2.37 0 -2 -3 43.68 2.37 0 2 3 37.29 2.68 0 -2 -3 40.87 2.90 0 -2 -3 45.30 2.56 0 2 4 1209.95 26.07 0 -2 -4 1159.23 25.85 0 2 4 1206.48 24.21 0 -2 -4 1199.45 24.32 0 -2 -4 1171.82 24.59 0 2 4 1209.13 25.38 0 -2 -5 90.69 3.73 0 -2 -5 93.06 4.74 0 2 5 89.48 4.60 0 2 5 88.93 3.41 0 -2 -5 98.16 3.69 0 -2 -5 87.24 4.38 0 2 5 99.74 4.76 0 -2 -5 89.93 3.74 0 -2 -6 1104.10 23.10 0 -2 -6 1105.20 23.05 0 2 6 1133.67 25.50 0 -2 -6 1127.32 22.66 0 -2 -6 1100.47 24.93 0 -2 -6 1108.09 26.28 0 2 6 1134.92 25.94 0 2 7 20.14 2.41 0 -2 -7 24.01 1.78 0 -2 -7 32.53 2.86 0 -2 -7 34.73 3.27 0 -2 -7 32.62 2.03 0 -2 -8 18.22 1.47 0 2 8 22.19 2.50 0 -2 -8 15.81 1.39 0 -2 -8 18.93 2.36 0 -2 -8 21.79 2.84 0 2 8 22.15 2.86 0 -2 -9 22.23 1.40 0 -2 -9 20.35 1.32 0 2 9 23.26 2.68 0 2 9 24.27 3.02 0 -2 -9 23.50 2.72 0 -2 -9 21.99 3.01 0 2 9 23.31 1.84 0 2 9 19.67 3.02 0 2 10 9.12 2.18 0 -2 -10 3.44 1.34 0 2 10 8.32 1.81 0 -2 -10 6.07 1.82 0 -2 -10 7.16 1.98 0 2 10 3.70 1.73 0 2 10 6.03 1.08 0 2 11 6.06 1.65 0 2 11 3.21 1.74 0 -2 -11 6.53 1.79 0 2 11 4.62 1.85 0 -2 -11 8.58 2.01 0 -2 -11 5.53 1.91 0 2 11 7.97 1.26 0 2 11 4.73 1.93 0 2 12 20.87 2.81 0 2 12 17.44 2.91 0 -2 -12 17.68 2.60 0 2 12 14.45 3.00 0 -2 -12 20.56 3.11 0 -2 -12 16.17 2.95 0 2 12 15.71 3.29 0 2 12 17.89 1.96 0 2 13 0.40 1.17 0 2 13 1.52 1.53 0 2 13 -0.72 1.54 0 -2 -13 0.57 1.41 0 -2 -13 -1.50 1.45 0 2 14 2.62 1.94 0 2 14 0.78 2.16 0 -2 -14 0.52 1.35 0 -2 -14 0.60 1.38 0 2 15 32.25 5.36 0 -2 -15 23.21 3.90 0 -2 -15 28.77 3.90 0 -2 -16 8.41 2.77 0 -3 15 2.39 2.19 0 -3 14 1.52 2.20 0 -3 13 22.27 3.98 0 -3 12 34.13 2.03 0 -3 12 26.02 1.32 0 -3 12 36.38 2.64 0 -3 12 40.69 3.08 0 -3 12 38.37 4.94 0 -3 11 48.49 3.50 0 -3 11 48.25 2.87 0 -3 11 46.88 2.72 0 -3 11 43.25 2.35 0 -3 11 41.40 2.59 0 -3 11 47.23 4.70 0 -3 11 48.32 5.36 0 -3 10 148.84 6.33 0 -3 10 135.11 4.48 0 -3 10 149.96 5.55 0 -3 10 140.02 4.88 0 -3 10 141.28 5.52 0 -3 10 160.49 8.34 0 -3 10 148.00 8.85 0 -3 9 9.04 1.59 0 -3 9 9.04 1.03 0 -3 9 6.91 1.33 0 -3 9 11.28 2.65 0 -3 9 7.94 1.04 0 -3 9 7.57 1.31 0 -3 9 5.93 1.78 0 -3 8 304.53 9.72 0 -3 8 284.86 6.27 0 -3 8 283.25 9.12 0 -3 8 303.10 7.30 0 -3 8 314.38 9.29 0 -3 8 290.49 11.35 0 -3 8 311.66 12.29 0 -3 7 10.76 1.76 0 -3 7 16.09 1.15 0 -3 7 16.03 1.21 0 -3 7 18.90 2.01 0 -3 7 17.36 2.78 0 -3 7 13.03 1.72 0 -3 7 12.62 2.16 0 -3 6 620.86 13.66 0 -3 6 636.30 13.27 0 -3 6 653.19 16.00 0 -3 6 614.16 15.79 0 -3 6 609.65 17.59 0 -3 5 4.74 0.68 0 -3 5 2.68 0.72 0 -3 5 4.95 1.27 0 3 -5 4.49 0.64 0 -3 5 4.11 1.08 0 3 -4 1039.33 21.19 0 -3 4 1011.83 21.38 0 -3 4 1041.05 23.42 0 3 -4 1015.80 20.67 0 -3 4 1013.17 20.03 0 -3 4 1011.11 23.08 0 -3 3 98.48 4.05 0 -3 3 108.40 5.02 0 3 -3 93.04 3.67 0 -3 3 104.76 4.88 0 3 -3 101.17 3.95 0 3 -2 958.31 20.96 0 -3 2 959.38 20.63 0 -3 2 951.94 21.75 0 3 -2 938.54 20.15 0 -3 2 935.16 21.65 0 3 -2 933.47 20.27 0 3 -1 166.29 5.68 0 -3 1 162.97 5.88 0 3 -1 157.69 6.01 0 -3 1 169.70 6.40 0 3 -1 162.64 5.75 0 3 -1 163.52 6.04 0 -3 1 158.90 6.25 0 -3 0 1616.56 33.78 0 3 0 1607.37 32.91 0 -3 0 1639.63 33.34 0 3 0 1616.41 32.69 0 -3 0 1608.84 32.83 0 -3 0 1673.08 33.33 0 3 0 1667.42 33.88 0 3 1 1552.12 32.92 0 -3 -1 1540.85 31.68 0 3 1 1560.27 31.52 0 -3 -1 1560.81 33.03 0 3 1 1602.51 33.34 0 -3 -1 1608.49 32.96 0 -3 -2 169.25 6.19 0 3 2 163.34 6.28 0 3 2 157.81 5.17 0 -3 -2 162.34 5.54 0 -3 -2 168.91 6.80 0 3 2 178.14 6.74 0 -3 -2 152.10 6.19 0 3 2 174.31 6.82 0 -3 -3 1250.06 26.63 0 3 3 1252.77 26.71 0 3 3 1244.91 24.78 0 -3 -3 1249.90 28.12 0 -3 -3 1221.09 27.00 0 3 3 1201.43 27.79 0 3 4 238.61 7.54 0 -3 -4 207.08 7.15 0 3 4 226.62 8.51 0 3 4 217.70 5.85 0 3 4 220.64 7.20 0 -3 -4 217.04 8.55 0 -3 -4 205.40 7.37 0 3 5 0.78 0.71 0 3 5 0.90 0.45 0 3 5 0.34 0.88 0 -3 -5 -0.32 0.57 0 -3 -5 0.23 0.61 0 -3 -5 0.64 0.69 0 3 5 1.25 0.65 0 -3 -5 0.23 0.61 0 3 6 -0.10 0.39 0 3 6 -0.31 0.72 0 -3 -6 -0.23 0.64 0 -3 -6 0.35 0.81 0 3 6 0.36 0.99 0 -3 -6 0.70 0.64 0 -3 -6 0.42 0.58 0 -3 -7 0.40 0.67 0 3 7 0.10 0.43 0 -3 -7 0.46 0.73 0 -3 -7 -0.32 1.14 0 -3 -7 0.38 0.99 0 3 7 -0.38 0.94 0 -3 -7 0.43 1.07 0 -3 -7 0.46 0.72 0 -3 -8 5.74 1.09 0 3 8 5.21 0.80 0 3 8 7.99 1.98 0 -3 -8 6.61 1.29 0 -3 -8 4.65 1.36 0 3 8 4.55 1.59 0 3 8 8.10 1.84 0 -3 -8 7.48 2.00 0 -3 -8 6.38 1.23 0 3 9 0.48 1.18 0 3 9 1.07 0.45 0 3 9 0.99 0.52 0 -3 -9 0.41 0.75 0 3 9 -0.49 1.20 0 -3 -9 0.35 1.00 0 3 9 1.71 1.39 0 -3 -9 0.50 1.24 0 -3 -9 0.42 0.70 0 3 10 6.99 2.15 0 3 10 7.15 0.86 0 3 10 8.94 2.07 0 -3 -10 9.27 1.32 0 3 10 9.81 2.34 0 -3 -10 8.24 1.90 0 -3 -10 5.38 1.99 0 -3 -10 6.62 1.24 0 3 11 13.99 2.67 0 -3 -11 11.73 1.12 0 -3 -11 10.30 2.06 0 3 11 13.00 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669.45 14.64 0 -4 7 615.24 12.82 0 -4 7 630.13 12.62 0 -4 7 705.11 19.74 0 -4 6 319.09 10.72 0 -4 6 310.87 8.63 0 -4 6 317.24 10.86 0 4 -6 312.07 7.44 0 -4 6 293.68 11.45 0 -4 6 295.46 10.40 0 -4 5 436.04 13.03 0 -4 5 433.89 13.11 0 4 -5 431.05 10.97 0 -4 5 409.30 11.12 0 -4 5 420.82 13.14 0 4 -5 427.06 10.56 0 -4 5 424.62 9.63 0 -4 5 439.07 13.99 0 4 -4 107.93 4.68 0 -4 4 108.21 4.83 0 -4 4 123.95 6.16 0 4 -4 108.80 4.49 0 -4 4 110.18 4.13 0 -4 4 107.32 5.72 0 4 -3 537.04 13.50 0 -4 3 520.92 13.67 0 -4 3 515.44 14.97 0 4 -3 515.80 13.20 0 -4 3 545.78 12.97 0 -4 3 501.53 14.81 0 4 -2 950.15 21.43 0 4 -2 965.67 22.32 0 -4 2 916.05 21.55 0 -4 2 936.93 22.81 0 4 -2 932.44 21.34 0 -4 2 903.18 20.93 0 -4 2 931.79 22.79 0 -4 1 1106.01 26.13 0 4 -1 1121.60 24.86 0 4 -1 1117.52 25.87 0 -4 1 1105.36 25.22 0 -4 1 1106.98 25.96 0 4 -1 1131.65 25.22 0 -4 1 1130.26 24.99 0 4 -1 1078.06 25.20 0 -4 0 189.78 7.89 0 -4 0 208.41 7.79 0 4 0 189.53 7.28 0 -4 0 202.86 7.65 0 4 0 185.55 7.06 0 -4 0 186.49 7.15 0 4 1 42.06 2.88 0 -4 -1 40.37 1.68 0 -4 -1 40.69 2.98 0 -4 -1 34.55 3.13 0 4 1 40.52 3.37 0 -4 -1 34.64 3.09 0 -4 -2 1.35 0.76 0 4 2 3.01 0.84 0 4 2 1.58 1.07 0 -4 -2 1.92 1.12 0 -4 -2 0.89 0.82 0 4 2 1.77 1.16 0 4 3 144.16 6.60 0 -4 -3 146.49 6.47 0 4 3 153.11 7.32 0 4 3 148.47 5.33 0 -4 -3 143.03 7.15 0 -4 -3 144.92 6.65 0 -4 -4 28.90 2.73 0 4 4 28.09 2.75 0 4 4 33.52 2.14 0 4 4 36.72 3.55 0 -4 -4 31.71 2.97 0 -4 -4 29.20 3.31 0 4 4 24.37 2.97 0 -4 -5 4.63 1.38 0 4 5 3.83 1.15 0 4 5 4.46 0.78 0 4 5 3.55 1.28 0 -4 -5 2.38 1.15 0 4 5 2.96 1.33 0 -4 -5 4.43 1.68 0 -4 -5 4.71 1.42 0 4 6 53.95 2.33 0 4 6 54.38 4.57 0 -4 -6 57.83 4.63 0 4 6 51.80 4.62 0 -4 -6 58.31 3.83 0 -4 -6 59.20 4.01 0 4 7 1.23 0.38 0 4 7 2.35 1.36 0 4 7 1.02 1.53 0 -4 -7 0.90 1.11 0 -4 -7 -0.28 0.85 0 -4 -7 -0.31 0.80 0 4 8 1.28 1.23 0 4 8 0.49 1.13 0 -4 -8 1.32 0.95 0 -4 -8 0.76 1.04 0 4 8 0.54 1.33 0 -4 -8 1.62 1.49 0 -4 -8 0.30 0.87 0 4 9 46.35 4.50 0 4 9 28.30 3.75 0 -4 -9 34.94 2.80 0 -4 -9 36.98 3.67 0 4 9 31.17 4.09 0 -4 -9 36.23 4.41 0 -4 -9 33.90 3.01 0 4 10 40.56 4.49 0 4 10 37.67 4.55 0 -4 -10 42.77 3.90 0 4 10 50.45 4.92 0 -4 -10 40.37 4.65 0 -4 -10 48.04 3.48 0 4 11 0.60 1.57 0 4 11 1.25 1.73 0 -4 -11 0.39 1.35 0 4 11 1.11 1.61 0 -4 -11 0.24 0.87 0 -4 -11 -0.65 1.49 0 -4 -11 0.25 0.86 0 4 12 3.29 2.14 0 4 12 5.23 2.21 0 -4 -12 4.62 1.68 0 4 12 3.44 1.94 0 -4 -12 2.60 0.86 0 -4 -12 2.54 1.84 0 -4 -12 6.83 2.38 0 -4 -12 1.41 0.89 0 4 13 5.87 2.29 0 4 13 4.08 2.30 0 4 13 4.29 2.16 0 -4 -13 2.87 1.88 0 -4 -13 5.31 2.31 0 4 14 2.10 1.93 0 4 14 0.77 2.01 0 -4 -14 0.69 2.07 0 -4 -14 1.50 2.07 0 -4 -15 11.93 2.94 0 -5 13 15.87 4.06 0 -5 12 6.36 2.77 0 -5 11 34.64 3.75 0 -5 11 36.97 5.17 0 -5 11 29.59 3.28 0 -5 11 31.34 3.37 0 -5 10 4.97 2.24 0 -5 10 7.36 1.66 0 -5 10 4.82 1.88 0 -5 10 6.30 1.72 0 -5 9 136.08 7.19 0 -5 9 141.46 7.53 0 -5 9 142.81 4.67 0 -5 9 128.15 6.85 0 -5 9 135.24 8.99 0 -5 9 131.59 8.43 0 -5 8 62.04 4.83 0 -5 8 65.02 5.07 0 -5 8 65.83 3.35 0 -5 8 53.02 4.37 0 -5 8 63.15 5.57 0 -5 7 101.23 6.19 0 -5 7 93.18 4.43 0 -5 7 100.87 6.30 0 -5 7 97.31 6.74 0 -5 7 97.76 5.94 0 -5 6 337.30 12.22 0 -5 6 368.86 12.77 0 5 -6 365.39 9.93 0 -5 6 360.27 10.48 0 -5 6 356.35 12.72 0 5 -6 358.94 9.62 0 -5 6 341.11 8.30 0 -5 6 337.90 13.23 0 -5 5 25.35 3.23 0 5 -5 23.97 2.37 0 -5 5 21.33 2.28 0 -5 5 26.77 3.19 0 5 -5 22.84 2.23 0 -5 5 25.37 1.94 0 -5 5 21.30 2.92 0 -5 4 219.79 9.44 0 -5 4 195.54 9.04 0 5 -4 233.28 8.13 0 -5 4 231.76 8.28 0 5 -4 215.37 7.74 0 5 -4 211.22 5.52 0 -5 4 215.84 7.22 0 -5 4 215.13 9.28 0 5 -3 1.44 1.04 0 5 -3 0.56 0.95 0 -5 3 -0.31 0.93 0 -5 3 -0.41 0.93 0 -5 3 0.40 0.93 0 -5 3 0.25 0.84 0 -5 3 0.40 0.93 0 -5 2 61.45 4.71 0 -5 2 56.31 4.50 0 5 -2 63.08 4.93 0 -5 2 68.31 4.43 0 5 -2 63.44 4.56 0 5 -2 61.30 4.11 0 -5 2 65.67 4.11 0 -5 2 62.15 4.52 0 5 -1 6.15 1.47 0 5 -1 11.57 2.13 0 -5 1 8.24 1.78 0 -5 1 7.85 1.88 0 5 -1 10.38 2.07 0 -5 1 8.08 1.87 0 -5 1 6.63 1.73 0 -5 1 10.93 1.86 0 5 0 239.18 9.84 0 5 0 198.90 8.41 0 5 0 209.16 9.08 0 -5 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3.44 0 -5 -7 23.25 2.88 0 -5 -7 28.63 3.08 0 5 8 0.58 1.25 0 -5 -8 1.20 1.10 0 5 8 1.86 1.62 0 -5 -8 0.55 1.36 0 -5 -8 -1.04 1.13 0 -5 -8 0.38 1.00 0 -5 -9 30.00 3.38 0 5 9 38.27 4.68 0 -5 -9 37.97 3.43 0 -5 -9 32.04 3.66 0 5 9 28.00 4.25 0 -5 -9 27.99 4.09 0 -5 -9 30.20 3.31 0 5 10 5.04 2.26 0 -5 -10 4.01 1.42 0 -5 -10 5.86 1.49 0 -5 -10 7.56 2.47 0 -5 -10 7.18 1.83 0 -5 -10 5.15 1.98 0 5 10 5.46 2.45 0 5 11 29.23 4.26 0 -5 -11 26.49 2.99 0 -5 -11 23.07 4.05 0 -5 -11 27.43 3.01 0 5 11 30.56 4.58 0 -5 -11 31.01 3.57 0 5 12 0.74 2.13 0 5 12 2.00 2.01 0 -5 -12 -0.76 1.86 0 -5 -12 0.71 1.52 0 5 13 8.14 2.84 0 -5 -13 9.65 3.10 0 -6 12 44.83 6.06 0 -6 11 0.82 1.60 0 -6 11 -0.52 1.57 0 -6 11 -0.46 1.51 0 -6 10 84.55 6.32 0 -6 10 83.42 6.16 0 -6 10 86.11 7.76 0 -6 10 78.99 5.92 0 -6 9 -0.50 1.57 0 -6 9 -0.73 1.69 0 -6 9 0.41 0.74 0 -6 9 1.43 1.66 0 -6 9 -0.52 1.80 0 -6 8 10.57 2.37 0 -6 8 6.60 2.03 0 -6 8 9.01 1.55 0 -6 8 8.70 1.21 0 -6 8 10.73 2.60 0 -6 7 164.43 8.71 0 -6 7 148.40 6.46 0 -6 7 158.75 8.61 0 6 -7 152.18 5.43 0 -6 7 139.76 3.90 0 -6 7 155.57 8.32 0 -6 6 186.81 9.41 0 -6 6 194.97 9.57 0 6 -6 188.45 7.24 0 -6 6 206.15 7.90 0 6 -6 176.83 6.94 0 -6 6 177.73 5.98 0 -6 6 194.19 9.42 0 -6 5 29.35 3.58 0 6 -5 23.24 2.68 0 -6 5 18.94 3.09 0 -6 5 27.75 3.66 0 -6 5 20.21 2.64 0 -6 5 25.47 2.33 0 -6 5 28.12 3.78 0 -6 4 36.64 4.02 0 -6 4 36.30 4.02 0 6 -4 40.68 3.53 0 -6 4 37.40 3.46 0 -6 4 31.19 3.87 0 6 -4 40.02 2.24 0 -6 4 39.17 3.06 0 -6 4 39.40 4.22 0 -6 3 41.02 4.30 0 -6 3 40.79 4.18 0 -6 3 40.33 4.30 0 6 -3 41.58 3.60 0 -6 3 41.84 3.83 0 6 -3 28.48 3.08 0 6 -3 38.81 2.62 0 -6 3 46.60 3.58 0 -6 3 33.36 3.77 0 -6 2 12.60 2.44 0 -6 2 13.41 2.65 0 6 -2 13.30 2.29 0 6 -2 17.16 2.76 0 -6 2 14.78 2.82 0 6 -2 17.84 2.61 0 -6 2 16.40 2.53 0 -6 2 20.82 2.57 0 -6 2 16.00 2.58 0 -6 1 218.44 10.04 0 -6 1 219.72 10.29 0 6 -1 220.58 9.29 0 6 -1 212.57 9.83 0 -6 1 214.40 9.37 0 6 -1 206.38 9.19 0 -6 1 220.92 9.18 0 -6 1 222.23 9.48 0 6 0 1.25 1.03 0 -6 0 3.04 1.59 0 6 0 1.98 1.62 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381.07 12.62 2 -3 5 14.64 2.03 -2 3 -5 21.43 2.30 2 -3 5 23.98 2.70 -2 3 -5 18.40 1.29 2 -3 5 18.38 1.87 2 -3 5 17.79 2.35 -2 3 -5 18.94 2.43 2 -3 5 15.58 2.41 2 -3 6 325.32 11.35 -2 3 -6 353.53 10.68 2 -3 6 339.22 11.06 2 -3 6 339.28 13.60 2 -3 6 348.82 11.30 2 -3 6 368.13 11.37 2 -3 6 344.96 12.42 -2 3 -6 357.24 11.97 -2 3 -7 131.03 5.64 2 -3 7 131.33 6.42 2 -3 7 137.61 8.41 2 -3 7 129.32 6.24 2 -3 7 126.90 6.00 2 -3 7 125.30 5.96 2 -3 7 132.12 7.18 -2 3 -7 123.05 6.56 2 -3 8 56.20 4.18 2 -3 8 68.86 5.24 2 -3 8 61.75 4.07 2 -3 8 69.10 4.20 2 -3 8 67.91 4.38 2 -3 9 97.95 5.22 2 -3 9 100.58 6.62 2 -3 9 87.93 7.37 2 -3 9 89.98 5.19 2 -3 9 99.87 5.10 2 -3 9 103.96 5.14 2 -3 9 91.33 4.44 2 -3 10 33.96 3.04 2 -3 10 33.63 2.90 2 -3 10 40.58 4.36 2 -3 10 33.59 3.01 2 -3 10 35.66 2.62 2 -3 10 35.64 5.01 2 -3 10 39.06 3.49 2 -3 11 94.79 5.05 2 -3 11 102.54 7.10 2 -3 11 93.46 5.04 2 -3 11 91.49 3.86 2 -3 11 111.68 8.78 2 -3 11 79.87 4.92 2 -3 12 0.56 1.62 2 -3 12 -0.84 1.79 2 -3 13 38.81 4.60 2 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5 0.62 1.54 -4 -1 -5 0.57 1.40 -4 -1 -5 2.69 1.30 4 1 5 1.70 1.48 4 1 5 0.55 1.37 4 1 5 1.11 1.18 -4 -1 -5 1.57 1.02 4 1 6 195.53 9.51 4 1 6 196.65 10.69 -4 -1 -6 186.87 9.93 -4 -1 -6 172.35 8.59 4 1 6 197.83 10.13 -4 -1 -6 188.06 11.32 4 1 6 178.58 9.80 -4 -1 -6 203.98 6.74 4 1 7 42.69 4.27 4 1 7 36.59 4.74 -4 -1 -7 33.67 4.23 -4 -1 -7 38.72 3.89 4 1 7 36.51 4.34 -4 -1 -7 33.69 5.01 -4 -1 -7 37.35 2.32 4 1 8 25.34 3.65 -4 -1 -8 32.88 4.10 4 1 8 32.81 4.59 -4 -1 -8 25.75 3.13 -4 -1 -8 26.80 4.61 4 1 8 32.09 3.75 4 1 9 26.83 3.71 -4 -1 -9 27.69 3.66 4 1 9 25.38 4.34 -4 -1 -9 27.20 3.30 -4 -1 -9 25.97 4.58 4 1 9 25.87 3.28 -4 -1 -10 8.19 2.10 -4 -1 -10 4.38 1.63 -4 -1 -10 7.76 2.81 4 1 10 5.35 1.90 4 1 10 7.41 1.83 -4 -1 -11 5.30 2.98 -4 -1 -12 8.07 3.13 -4 -2 13 7.02 2.53 4 2 -13 9.43 2.17 4 2 -12 6.59 1.88 -4 -2 12 6.34 2.46 4 2 -12 10.06 2.26 4 2 -12 4.49 1.59 4 2 -11 31.05 3.67 -4 -2 11 29.46 4.48 4 2 -11 31.94 3.92 4 2 -11 30.41 2.03 4 2 -11 35.55 3.99 4 2 -10 4.09 1.59 -4 -2 10 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4.67 1.86 4 2 6 4.97 2.31 -4 -2 -6 4.21 2.03 -4 -2 -6 3.86 1.46 4 2 6 2.85 1.65 -4 -2 -6 5.66 2.44 -4 -2 -6 5.31 0.85 -4 -2 -7 8.28 2.63 4 2 7 6.99 2.00 -4 -2 -7 10.49 2.43 -4 -2 -7 5.87 2.74 4 2 7 3.34 1.88 -4 -2 -8 0.57 1.58 4 2 8 1.91 1.44 -4 -2 -8 2.36 1.59 -4 -2 -8 2.60 2.61 4 2 8 3.22 1.69 -4 -2 -9 78.70 8.05 -4 -2 -9 67.55 5.50 -4 -2 -9 75.98 6.21 4 2 9 76.83 6.06 4 2 9 64.60 5.27 -4 -2 -10 -0.92 2.26 4 2 10 -0.48 1.39 -4 -3 12 2.62 1.89 4 3 -12 0.48 1.26 4 3 -12 1.44 1.51 4 3 -12 0.43 1.11 -4 -3 11 0.66 1.52 4 3 -11 -0.52 1.49 4 3 -11 0.50 1.32 4 3 -11 -0.91 1.25 -4 -3 10 20.87 3.71 4 3 -10 18.02 2.99 4 3 -10 20.59 3.32 4 3 -10 19.14 3.20 -4 -3 10 15.23 3.23 -4 -3 9 5.95 2.37 4 3 -9 1.96 0.87 4 3 -9 2.13 1.61 4 3 -9 3.13 1.93 4 3 -9 2.45 0.85 4 3 -9 2.80 1.69 4 3 -8 27.99 2.88 4 3 -8 21.67 3.49 -4 -3 8 25.60 4.03 4 3 -8 20.12 3.32 -4 -3 8 34.07 4.59 4 3 -8 39.54 4.39 -4 -3 7 5.29 2.45 4 3 -7 2.26 1.56 -4 -3 7 3.26 1.97 4 3 -7 6.48 2.24 4 3 -7 -0.30 0.73 4 3 -7 5.67 1.61 4 3 -7 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0.57 1.48 4 4 -10 0.91 1.25 -4 -4 10 3.18 2.00 4 4 -10 0.59 1.55 4 4 -10 0.59 1.55 4 4 -9 11.09 2.58 -4 -4 9 23.19 3.98 4 4 -9 18.45 3.40 4 4 -9 19.29 3.42 4 4 -8 4.41 2.04 -4 -4 8 9.72 2.71 4 4 -8 3.37 1.31 4 4 -8 4.41 2.20 4 4 -8 7.96 2.50 4 4 -7 22.98 3.65 4 4 -7 21.79 3.76 -4 -4 7 19.49 3.59 4 4 -7 15.99 3.20 4 4 -7 15.58 2.09 4 4 -7 22.34 2.90 4 4 -6 14.48 3.11 -4 -4 6 14.32 3.06 4 4 -6 11.93 3.01 4 4 -6 14.24 2.21 -4 -4 6 12.40 2.67 4 4 -6 11.06 2.67 4 4 -6 16.26 2.76 4 4 -5 7.66 2.30 -4 -4 5 6.49 2.40 4 4 -5 5.91 2.41 4 4 -5 5.98 2.39 4 4 -5 7.06 1.68 -4 -4 5 3.40 1.85 4 4 -5 5.23 2.21 4 4 -5 1.52 1.47 4 4 -4 2.59 1.87 -4 -4 4 2.59 1.79 4 4 -4 5.22 2.34 4 4 -4 3.66 1.42 -4 -4 4 6.66 2.30 4 4 -4 5.93 2.15 4 4 -4 4.43 1.93 4 4 -4 0.69 1.60 -4 -4 3 10.85 2.73 4 4 -3 10.97 2.36 4 4 -3 8.24 2.85 -4 -4 3 5.80 2.32 -4 -4 2 39.51 4.96 4 4 -2 45.51 4.43 4 4 -2 30.82 4.95 -4 -4 2 33.29 4.51 4 4 -1 101.62 7.61 -4 -4 1 82.53 6.74 -4 -4 1 79.27 7.00 4 4 -1 80.83 6.04 4 4 -1 83.80 6.95 4 4 0 192.73 10.65 4 4 0 206.66 11.01 -4 -4 0 190.17 10.49 -4 -4 0 191.03 11.19 4 4 0 196.44 9.94 4 4 0 191.40 6.52 4 4 1 3.91 1.88 -4 -4 -1 6.37 2.08 4 4 1 2.21 1.45 -4 -4 -1 5.38 2.51 4 4 1 7.91 2.57 4 4 1 3.58 1.04 -4 -4 -2 40.91 5.53 4 4 2 49.63 5.35 4 4 2 51.48 3.01 -4 -4 -3 35.42 5.25 -4 -4 -3 37.69 5.44 4 4 3 27.86 4.15 4 4 3 26.73 4.04 4 4 4 4.47 2.01 -4 -4 -4 8.79 1.23 -4 -4 -4 11.20 3.36 -4 -4 -4 3.49 2.40 4 4 4 7.52 2.45 -4 -4 -5 121.22 9.87 4 4 5 130.76 8.60 -4 -4 -5 138.82 10.54 4 4 5 134.02 8.69 -4 -4 -6 5.65 2.96 4 4 6 4.83 2.17 4 4 6 3.66 1.84 -4 -4 -7 1.96 3.08 4 4 7 2.34 1.77 4 4 7 5.92 2.31 4 4 8 -0.56 1.48 4 4 8 0.57 1.57 4 5 -11 0.63 1.65 4 5 -10 0.67 1.74 4 5 -10 0.65 1.89 4 5 -9 0.47 1.31 -4 -5 9 -0.62 1.43 4 5 -9 0.67 1.75 4 5 -9 1.37 1.79 4 5 -8 0.54 1.55 -4 -5 8 -0.63 1.74 4 5 -8 0.69 1.98 4 5 -8 0.69 1.59 4 5 -7 10.61 2.52 -4 -5 7 7.69 2.51 4 5 -7 13.29 3.23 4 5 -7 11.79 2.97 4 5 -6 14.41 2.82 -4 -5 6 14.23 3.20 4 5 -6 19.17 3.72 4 5 -6 7.66 2.66 4 5 -6 10.85 2.85 -4 -5 6 16.27 3.14 4 5 -6 18.66 2.52 -4 -5 5 79.98 6.84 4 5 -5 85.75 6.53 4 5 -5 80.36 7.06 -4 -5 5 70.98 6.50 4 5 -5 86.78 5.67 4 5 -5 92.50 7.59 4 5 -5 83.49 7.25 4 5 -4 0.70 1.62 4 5 -4 -0.72 1.99 -4 -5 4 0.65 1.71 4 5 -4 -0.43 1.31 -4 -5 4 0.65 1.79 -4 -5 3 30.35 4.53 4 5 -3 37.26 4.13 -4 -5 3 27.56 4.28 4 5 -2 6.38 2.55 4 5 -2 0.72 1.67 -4 -5 2 3.64 2.20 4 5 -2 2.03 1.71 -4 -5 2 5.28 2.23 4 5 -1 30.43 4.48 4 5 -1 43.25 5.21 -4 -5 1 29.75 4.69 4 5 -1 32.86 4.18 -4 -5 1 32.63 3.55 -4 -5 1 27.21 4.25 -4 -5 0 3.00 1.35 -4 -5 0 0.80 1.70 4 5 0 2.82 1.94 4 5 0 4.30 2.16 -4 -5 -1 57.53 6.77 4 5 1 41.29 5.28 -4 -5 -1 52.63 4.10 -4 -5 -2 13.46 3.67 -4 -5 -2 11.31 3.40 4 5 2 11.81 3.15 4 5 2 10.57 3.08 -4 -5 -2 13.16 2.07 4 5 3 18.56 3.51 4 5 3 20.83 3.79 -4 -5 -3 17.60 4.07 -4 -5 -3 13.60 3.80 4 5 4 2.70 2.12 4 5 4 1.37 1.68 -4 -5 -4 0.92 2.27 -4 -5 -4 0.94 2.17 4 5 5 23.19 3.85 4 5 5 19.41 3.66 -4 -5 -5 25.95 4.90 4 5 6 6.47 2.59 4 5 6 11.11 3.07 4 5 7 26.95 4.07 4 5 7 17.28 3.63 4 5 8 19.85 3.60 4 5 8 15.82 3.28 -4 -6 8 49.25 5.26 -4 -6 7 3.13 1.89 4 6 -7 2.88 1.74 -4 -6 6 8.34 2.69 4 6 -6 14.05 3.05 4 6 -5 9.80 2.86 -4 -6 5 7.21 2.49 -4 -6 5 9.81 2.97 -4 -6 4 0.70 1.93 -4 -6 4 -0.66 1.42 -4 -6 3 -2.98 1.95 -4 -6 2 54.12 6.19 4 6 -2 47.24 5.92 4 6 -2 57.88 6.50 -4 -6 1 3.10 1.59 4 6 -1 1.56 1.67 4 6 -1 6.16 2.42 -4 -6 0 10.83 2.10 4 6 0 7.75 2.79 4 6 0 8.43 2.76 -4 -6 0 17.25 4.12 4 6 1 0.76 1.87 -4 -6 -1 0.90 1.92 -4 -6 -2 68.13 7.67 -4 -7 3 -0.79 2.19 -4 -7 2 14.28 3.74 5 -10 1 0.81 2.22 5 -9 -2 2.19 1.65 5 -9 -1 1.88 1.97 -5 9 0 9.59 2.67 5 -9 0 0.70 1.92 -5 9 -1 4.82 2.10 5 -9 1 9.96 3.20 -5 9 -2 0.56 1.39 5 -9 2 0.83 2.05 -5 9 -3 5.74 2.03 5 -9 3 4.46 2.69 -5 9 -4 -0.95 1.37 -5 8 6 3.12 2.04 -5 8 5 7.02 3.12 5 -8 -5 17.60 4.43 -5 8 4 6.59 2.47 5 -8 -4 6.92 3.45 -5 8 4 9.38 3.05 -5 8 3 21.19 3.82 5 -8 -3 28.21 3.45 5 -8 -3 30.87 5.51 -5 8 3 26.50 4.53 5 -8 -2 1.02 1.41 -5 8 2 -2.00 2.31 -5 8 2 2.33 2.14 -5 8 2 -0.68 1.67 5 -8 -1 14.07 2.95 -5 8 1 12.93 3.15 -5 8 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4.05 2.34 -5 6 8 10.64 3.48 -5 6 8 8.77 3.03 -5 6 8 6.85 2.74 5 -6 -7 25.55 4.52 -5 6 7 34.25 5.83 -5 6 7 29.15 5.03 -5 6 7 35.11 4.99 5 -6 -6 20.89 4.13 -5 6 6 17.75 4.32 -5 6 6 17.86 3.90 5 -6 -5 3.38 2.08 -5 6 5 0.92 1.96 -5 6 5 0.76 1.49 5 -6 -5 1.93 1.69 5 -6 -4 4.26 2.46 -5 6 4 0.90 1.57 -5 6 4 2.26 1.86 5 -6 -4 2.52 1.98 5 -6 -3 22.30 4.38 5 -6 -3 21.97 3.67 -5 6 3 23.51 4.20 -5 6 3 20.89 3.97 -5 6 3 22.96 4.50 5 -6 -2 52.27 5.32 -5 6 2 34.79 4.99 -5 6 2 41.21 5.34 5 -6 -1 12.55 3.03 5 -6 -1 15.42 2.77 5 -6 -1 20.76 4.14 -5 6 1 14.51 3.17 -5 6 0 33.43 4.43 5 -6 0 39.84 5.57 5 -6 0 30.16 4.05 5 -6 0 27.24 3.82 -5 6 0 27.63 4.70 -5 6 0 30.05 4.49 -5 6 -1 26.75 3.78 5 -6 1 19.90 4.15 5 -6 1 25.76 4.06 5 -6 1 16.17 3.07 -5 6 -1 15.76 3.70 -5 6 -1 24.75 4.28 5 -6 2 41.38 5.78 5 -6 2 43.04 5.28 5 -6 2 46.97 4.71 -5 6 -2 48.71 6.07 -5 6 -2 47.33 4.72 -5 6 -3 0.47 1.15 5 -6 3 -0.86 2.11 5 -6 3 3.06 2.21 5 -6 3 -0.50 1.24 -5 6 -3 -0.48 1.46 -5 6 -3 -0.82 1.75 -5 6 -3 -0.69 1.82 5 -6 4 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27.44 4.85 -6 2 1 38.95 5.40 6 -2 -1 35.58 5.26 -6 2 1 38.69 4.71 -6 2 0 56.16 5.71 -6 2 0 55.62 6.06 6 -2 0 48.64 6.18 6 -2 0 49.03 6.06 6 -2 0 52.70 6.46 -6 2 -1 2.00 2.09 6 -2 1 2.54 2.22 -6 2 -1 2.81 2.21 6 -2 1 2.52 2.43 6 -2 1 6.78 2.76 6 -2 2 76.03 7.55 6 -2 2 81.85 8.01 -6 2 -2 94.45 7.37 6 -2 2 84.84 7.91 -6 2 -2 73.80 6.60 6 -2 3 23.19 4.45 6 -2 3 34.15 5.36 -6 2 -3 29.89 4.34 6 -2 3 30.35 4.87 -6 2 -3 20.07 3.65 6 -2 4 18.92 4.12 6 -2 4 9.76 3.30 -6 2 -4 21.21 3.62 6 -2 4 26.62 4.67 -6 2 -4 23.97 3.74 6 -2 5 22.29 4.50 6 -2 5 21.64 4.39 6 -2 5 29.94 4.77 -6 2 -5 28.97 3.95 -6 2 -5 17.20 3.29 -6 2 -6 10.02 2.48 6 -2 6 6.88 2.58 -6 2 -6 9.64 2.52 6 -2 7 0.84 2.07 -6 2 -7 1.58 1.30 6 -2 7 -1.47 2.03 -6 2 -7 -1.45 1.52 -6 2 -7 0.50 1.39 6 -2 8 7.41 2.96 -6 2 -8 6.61 1.93 6 -2 8 7.74 2.81 6 -2 9 4.01 2.79 6 -1 -12 3.70 1.94 6 -1 -11 -0.66 1.73 6 -1 -11 1.09 1.65 6 -1 -10 -0.70 1.84 6 -1 -10 -2.38 1.72 6 -1 -10 0.78 2.04 6 -1 -9 9.00 2.92 6 -1 -9 18.34 3.89 -6 1 9 11.88 3.66 6 -1 -9 9.54 3.18 6 -1 -8 2.02 1.86 6 -1 -8 5.31 2.48 -6 1 8 3.86 2.66 6 -1 -8 6.47 2.91 6 -1 -7 91.15 7.54 6 -1 -7 76.35 7.66 6 -1 -7 86.39 7.89 -6 1 7 94.91 8.84 -6 1 6 111.48 7.06 6 -1 -6 101.77 8.12 6 -1 -6 117.00 9.24 6 -1 -6 107.72 8.81 -6 1 6 112.32 9.52 -6 1 5 1.04 1.87 6 -1 -5 1.48 2.05 6 -1 -5 2.53 2.32 6 -1 -5 2.41 2.10 -6 1 5 2.65 2.04 6 -1 -4 79.39 7.44 -6 1 4 68.81 6.17 6 -1 -4 87.87 7.98 -6 1 3 18.83 3.43 6 -1 -3 33.55 4.97 6 -1 -2 37.78 5.65 6 -1 -2 41.38 5.64 -6 1 2 45.29 5.15 -6 1 2 39.14 5.70 -6 1 1 0.65 1.97 6 -1 -1 0.87 2.27 6 -1 -1 0.82 1.76 -6 1 1 1.54 1.78 -6 1 0 39.57 5.08 6 -1 0 33.50 5.24 6 -1 0 29.48 4.82 6 -1 0 31.18 4.94 -6 1 0 32.85 4.82 6 -1 1 25.15 4.78 6 -1 1 31.45 4.91 6 -1 1 22.82 4.34 -6 1 -1 25.31 4.20 6 -1 2 0.91 2.10 6 -1 2 0.81 2.11 -6 1 -2 -0.70 1.94 6 -1 2 -1.67 2.18 -6 1 -3 8.85 2.79 6 -1 3 11.93 3.25 -6 1 -3 2.95 1.85 6 -1 3 9.19 3.09 -6 1 -4 0.66 1.52 6 -1 4 1.57 2.05 -6 1 -4 2.78 1.61 6 -1 4 4.18 2.18 -6 1 -5 -0.63 1.34 6 -1 5 -0.76 2.10 -6 1 -5 -0.52 1.19 6 -1 5 -0.83 2.17 -6 1 -6 0.60 1.29 6 -1 6 0.82 2.03 6 -1 6 3.70 2.50 -6 1 -6 2.86 1.50 6 -1 7 5.67 2.82 6 -1 7 5.71 2.33 -6 1 -7 3.45 1.46 6 -1 8 -1.36 1.67 6 -1 8 -0.79 1.83 6 -1 9 -0.77 1.89 6 0 -12 1.85 2.15 6 0 -11 3.28 2.14 6 0 -11 3.95 1.70 6 0 -10 56.11 6.67 6 0 -10 40.17 4.90 6 0 -10 44.94 5.51 -6 0 9 46.18 6.59 6 0 -9 49.59 5.00 6 0 -9 48.59 5.41 6 0 -9 36.00 5.36 6 0 -9 44.15 4.96 6 0 -9 33.82 4.51 6 0 -9 38.32 5.29 -6 0 8 21.72 4.74 6 0 -8 17.55 3.33 6 0 -8 20.48 4.30 6 0 -8 19.11 3.73 6 0 -8 14.12 3.36 6 0 -8 21.49 3.77 6 0 -8 23.26 4.25 -6 0 7 9.23 3.32 6 0 -7 14.21 3.72 6 0 -7 12.88 3.18 6 0 -7 8.84 2.76 6 0 -7 9.29 2.81 6 0 -7 9.04 2.83 6 0 -7 11.56 3.49 -6 0 6 0.90 2.22 6 0 -6 1.71 2.58 6 0 -6 0.74 1.82 6 0 -6 0.64 1.68 6 0 -6 -0.64 1.57 6 0 -6 -0.64 2.55 6 0 -6 0.79 1.94 -6 0 5 18.41 4.26 6 0 -5 14.64 3.69 6 0 -5 18.90 3.80 6 0 -5 15.12 3.35 6 0 -5 12.06 3.47 6 0 -5 20.75 4.07 -6 0 4 3.41 2.46 6 0 -4 1.62 1.99 6 0 -4 1.74 2.73 6 0 -3 61.65 7.16 -6 0 3 86.21 7.90 6 0 -3 81.64 7.46 -6 0 2 1.36 1.88 -6 0 1 4.95 2.39 -6 0 1 2.36 2.17 6 0 -1 6.52 2.75 6 0 0 1.85 2.55 -6 0 0 2.30 1.89 6 0 0 0.82 2.01 6 0 0 0.81 1.88 6 0 1 7.53 3.39 -6 0 -1 3.75 2.36 6 0 1 7.26 2.73 6 0 1 8.22 2.87 -6 0 -2 3.65 2.01 -6 0 -2 3.60 2.48 6 0 2 1.60 1.56 6 0 2 4.13 2.39 6 0 3 48.72 6.01 -6 0 -3 37.67 4.97 -6 0 -3 45.30 6.23 -6 0 -3 41.09 4.75 6 0 3 32.21 5.09 -6 0 -4 2.06 1.80 -6 0 -4 -0.51 1.34 6 0 4 -0.77 2.22 6 0 4 1.64 2.03 6 0 5 0.75 1.85 -6 0 -5 -1.33 1.42 -6 0 -5 0.98 2.08 -6 0 -5 -0.46 1.14 6 0 5 0.82 1.74 6 0 6 0.72 2.09 -6 0 -6 1.30 1.60 -6 0 -6 1.00 1.74 -6 0 -6 2.45 1.47 6 0 6 0.81 1.86 6 0 7 9.70 2.77 6 0 7 3.18 2.08 6 0 8 1.98 1.73 6 0 8 2.33 2.54 6 1 -11 2.00 2.02 6 1 -11 5.30 2.41 6 1 -10 3.87 2.70 6 1 -10 10.48 3.11 6 1 -10 5.05 2.33 6 1 -9 13.64 3.65 6 1 -9 17.45 3.71 6 1 -9 20.66 3.91 6 1 -8 2.09 2.02 -6 -1 8 0.92 2.27 6 1 -8 2.48 2.16 6 1 -8 3.29 2.03 6 1 -8 -0.55 1.67 6 1 -8 4.50 2.70 6 1 -8 1.66 1.74 6 1 -7 20.33 4.07 -6 -1 7 21.72 4.48 6 1 -7 18.71 4.28 6 1 -7 24.71 3.87 6 1 -7 16.14 3.75 6 1 -7 29.44 4.17 6 1 -6 2.99 1.96 -6 -1 6 6.22 3.00 6 1 -6 4.35 2.40 6 1 -6 9.54 2.60 6 1 -6 6.25 2.55 6 1 -6 5.78 2.31 6 1 -5 1.77 2.55 -6 -1 5 0.87 1.70 6 1 -5 3.97 2.68 6 1 -5 3.85 2.22 6 1 -4 13.45 3.75 -6 -1 4 5.99 2.89 6 1 -4 5.63 2.53 6 1 -4 3.95 2.18 6 1 -3 28.32 5.00 -6 -1 3 30.95 4.81 6 1 -3 36.79 4.58 6 1 -3 31.51 5.01 6 1 -2 25.21 4.82 -6 -1 2 18.06 4.00 6 1 -2 17.09 3.83 6 1 -1 13.32 3.98 6 1 -1 10.57 3.10 6 1 -1 13.22 3.38 -6 -1 0 45.72 6.03 6 1 0 38.83 5.33 6 1 0 45.90 5.91 -6 -1 -1 -0.77 2.02 -6 -1 -1 1.82 2.38 6 1 1 0.80 1.71 6 1 1 -1.67 1.93 -6 -1 -2 0.76 1.47 -6 -1 -2 0.94 2.17 6 1 2 4.74 2.28 6 1 2 2.51 1.79 -6 -1 -3 1.47 1.57 -6 -1 -3 0.97 2.39 6 1 3 -0.78 1.66 6 1 3 -0.84 1.93 6 1 4 10.63 3.17 -6 -1 -4 2.88 1.88 -6 -1 -4 7.01 3.03 6 1 4 4.99 2.51 -6 -1 -4 9.74 2.22 6 1 5 7.42 2.96 6 1 5 12.60 3.30 -6 -1 -5 10.45 2.22 -6 -1 -5 6.36 2.22 6 1 6 0.72 1.88 6 1 6 0.81 1.73 6 1 7 0.69 1.60 6 1 7 -0.79 2.17 6 1 8 15.86 3.42 6 2 -9 1.60 2.20 6 2 -9 1.38 1.90 6 2 -8 8.30 3.24 6 2 -8 12.29 3.48 6 2 -8 9.38 2.82 6 2 -7 4.32 3.11 6 2 -7 13.33 3.49 6 2 -7 8.87 2.50 6 2 -7 13.42 3.44 6 2 -6 14.12 3.61 -6 -2 6 17.62 4.07 6 2 -6 8.74 3.03 6 2 -6 16.11 3.67 6 2 -5 16.25 4.18 -6 -2 5 24.39 4.51 6 2 -5 23.37 4.35 6 2 -5 20.45 4.01 6 2 -4 58.67 6.49 -6 -2 4 62.80 7.10 6 2 -4 59.15 7.09 6 2 -4 54.69 6.48 6 2 -4 46.80 4.98 6 2 -3 4.74 2.74 -6 -2 3 1.70 2.22 6 2 -3 3.33 1.74 6 2 -3 4.90 2.46 6 2 -2 -0.82 2.27 -6 -2 2 -0.84 2.19 6 2 -2 6.80 3.28 -6 -2 2 2.57 2.36 6 2 -2 2.77 1.81 6 2 -1 17.24 3.93 6 2 -1 21.69 4.06 -6 -2 1 22.23 4.26 6 2 -1 16.86 4.33 -6 -2 1 21.35 4.53 6 2 -1 18.19 3.24 -6 -2 0 17.55 4.04 6 2 0 21.21 4.22 6 2 0 13.45 3.53 -6 -2 -1 0.96 2.36 6 2 1 1.61 2.22 6 2 1 -0.84 1.80 -6 -2 -2 6.21 2.44 -6 -2 -2 7.93 3.12 6 2 2 9.56 2.87 6 2 2 8.42 2.84 6 2 3 0.78 1.67 6 2 3 -0.84 1.78 -6 -2 -3 -0.77 1.76 -6 -2 -4 2.06 1.34 6 2 4 -0.77 1.78 6 2 4 0.83 1.77 6 2 5 2.25 1.96 6 3 -8 1.66 2.60 6 3 -7 10.40 3.47 6 3 -6 0.89 2.34 6 3 -5 0.92 2.54 6 3 -4 0.95 2.49 6 3 -3 8.83 3.73 -6 -3 3 12.82 3.80 6 3 -2 -2.01 2.48 -6 -3 2 1.79 2.47 -6 -3 1 -0.93 2.44 -6 -3 0 1.94 2.24 -6 -4 4 16.04 3.83 -7 8 0 2.38 2.68 -7 7 1 9.45 3.09 -7 7 0 0.80 2.21 -7 7 -1 8.86 3.02 -7 7 -2 -0.67 1.94 -7 7 -3 8.83 2.75 -7 6 2 1.82 2.97 -7 6 1 5.16 2.60 7 -6 0 19.10 4.23 -7 6 0 23.38 4.40 7 -6 1 0.79 2.06 -7 6 -1 0.75 2.17 7 -6 2 -1.55 2.43 -7 6 -2 2.77 2.00 7 -6 3 -0.76 1.99 -7 6 -3 -0.63 1.55 7 -6 4 -0.75 2.06 -7 5 3 0.95 2.03 7 -5 -2 0.86 2.36 -7 5 2 0.91 2.09 7 -5 -1 0.85 2.47 -7 5 1 0.86 2.12 7 -5 0 2.55 2.34 -7 5 0 4.05 2.34 7 -5 1 -0.85 2.44 -7 5 -1 0.76 1.75 7 -5 2 20.20 4.10 -7 5 -2 19.15 3.83 7 -5 3 10.06 3.50 -7 5 -3 3.30 2.07 7 -5 4 0.83 2.05 -7 5 -4 -0.61 1.59 7 -5 5 6.57 3.04 7 -4 -9 -0.75 2.07 7 -4 -8 6.40 2.79 7 -4 -7 2.52 2.43 7 -4 -6 2.63 2.65 7 -4 -5 19.10 4.43 -7 4 4 39.43 6.17 7 -4 -4 31.49 5.64 7 -4 -4 40.37 5.99 7 -4 -3 -1.02 2.00 7 -4 -3 3.58 2.47 -7 4 3 1.89 2.33 7 -4 -2 -0.90 1.91 -7 4 2 1.80 2.22 -7 4 2 -0.90 2.23 7 -4 -1 26.90 4.84 -7 4 1 26.68 4.88 7 -4 -1 22.71 4.87 -7 4 1 37.71 5.64 7 -4 0 20.73 4.52 -7 4 0 19.60 3.91 7 -4 0 17.51 4.32 -7 4 0 18.74 4.15 7 -4 1 13.57 3.95 -7 4 -1 15.45 3.76 7 -4 1 18.43 4.38 -7 4 -1 13.24 3.62 7 -4 2 3.59 2.71 -7 4 -2 1.46 2.02 -7 4 -2 1.61 1.85 7 -4 3 12.56 3.50 -7 4 -3 7.58 2.55 -7 4 -3 13.20 3.39 7 -4 4 1.80 2.59 -7 4 -4 2.25 2.26 -7 4 -4 1.29 1.78 -7 4 -5 0.72 1.99 -7 4 -5 2.40 1.65 -7 4 -6 0.54 1.42 7 -3 -10 1.39 2.00 7 -3 -9 2.22 2.23 7 -3 -8 1.57 2.36 7 -3 -7 7.38 2.68 7 -3 -6 0.85 2.10 7 -3 -5 9.72 3.60 7 -3 -5 9.71 3.27 7 -3 -4 16.62 4.19 -7 3 4 9.77 3.30 7 -3 -4 11.81 3.84 7 -3 -4 12.72 3.55 7 -3 -3 -0.93 2.68 -7 3 3 1.88 2.31 7 -3 -3 -0.93 1.99 7 -3 -2 0.94 2.31 -7 3 2 0.90 2.22 7 -3 -2 1.90 2.03 7 -3 -1 1.88 2.17 -7 3 1 -0.86 1.84 7 -3 0 -0.94 1.83 -7 3 0 2.47 1.90 7 -3 0 -1.00 1.74 -7 3 0 1.66 2.16 7 -3 1 1.00 1.94 7 -3 1 4.72 2.47 -7 3 -1 -1.58 1.95 7 -3 1 0.99 2.44 -7 3 -1 1.60 2.51 7 -3 2 5.70 2.75 -7 3 -2 4.52 2.18 7 -3 2 3.92 2.83 -7 3 -2 6.17 2.60 7 -3 3 -0.96 2.20 7 -3 3 -1.93 2.52 -7 3 -3 -0.74 1.83 -7 3 -3 -0.72 1.53 -7 3 -4 4.25 2.23 -7 3 -4 1.36 1.97 -7 3 -5 9.45 2.64 -7 3 -5 10.91 2.86 -7 3 -6 1.92 1.85 -7 3 -6 2.37 1.94 -7 3 -7 0.61 1.90 7 -2 -10 3.51 2.67 7 -2 -9 5.19 2.42 7 -2 -8 0.78 2.14 7 -2 -7 1.62 2.12 7 -2 -6 7.56 3.02 7 -2 -5 1.73 2.00 7 -2 -5 2.83 2.17 -7 2 4 12.60 3.59 7 -2 -4 13.35 3.72 7 -2 -4 5.34 2.58 7 -2 -3 1.93 1.88 -7 2 3 0.94 2.16 7 -2 -3 0.91 1.95 7 -2 -2 8.70 3.26 -7 2 2 6.31 3.04 7 -2 -2 2.79 2.29 7 -2 -1 0.97 1.88 7 -2 -1 2.92 2.54 -7 2 1 0.87 1.85 7 -2 0 0.98 2.09 -7 2 0 -0.84 1.79 7 -2 0 1.93 2.37 7 -2 0 0.96 2.21 7 -2 1 18.36 4.23 7 -2 1 23.78 4.90 -7 2 -1 20.17 4.06 7 -2 1 21.03 4.65 -7 2 -1 24.68 4.42 7 -2 2 3.01 2.63 7 -2 2 8.50 2.97 -7 2 -2 9.56 2.80 -7 2 -2 9.35 2.88 7 -2 3 4.65 2.29 -7 2 -3 9.14 3.00 -7 2 -3 8.98 2.85 -7 2 -4 2.66 2.17 -7 2 -4 1.43 1.87 -7 2 -5 11.24 2.78 -7 2 -5 16.98 3.51 -7 2 -6 5.24 2.33 -7 2 -6 3.85 2.02 -7 2 -7 1.21 1.59 7 -1 -7 4.09 2.57 7 -1 -6 -0.84 2.20 7 -1 -5 12.97 3.70 7 -1 -4 0.88 1.89 7 -1 -4 0.94 2.16 -7 1 3 -0.93 2.30 7 -1 -3 0.90 1.76 7 -1 -2 3.00 2.89 -7 1 2 8.16 2.96 7 -1 -2 8.52 2.98 7 -1 -2 10.11 3.40 7 -1 -1 7.57 3.09 7 -1 -1 8.08 3.30 -7 1 1 7.92 2.97 7 -1 0 11.26 3.57 7 -1 0 5.65 2.85 7 -1 0 9.42 3.08 -7 1 0 13.65 3.49 -7 1 -1 1.66 1.92 7 -1 1 5.60 2.82 -7 1 -2 8.05 2.98 -7 1 -2 11.26 3.01 -7 1 -3 0.78 1.79 -7 1 -3 1.99 1.91 -7 1 -4 0.75 1.59 -7 1 -4 0.62 1.43 -7 1 -5 -0.57 1.49 -7 0 -3 2.47 1.87 -7 0 -4 10.77 2.57 0 0 0 0.00 0.00 TITL exp_15 in P-1 REM P-1 (#2 in standard setting) CELL 0.71073 5.683174 7.463880 11.747300 91.5240 95.2453 106.0245 ZERR 2.00 0.000134 0.000165 0.000262 0.0018 0.0019 0.0020 LATT 1 SFAC C H N O UNIT 22.00 20.00 2.00 2.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 36425 _shelx_res_file ; TITL exp_15_a.res in P-1 exp_15.res created by SHELXL-2018/3 at 11:01:35 on 20-Sep-2022 CELL 0.71073 5.6832 7.4639 11.7473 91.524 95.245 106.024 ZERR 2 0.0001 0.0002 0.0003 0.002 0.002 0.002 LATT 1 SFAC C H N S UNIT 16 12 8 4 EQIV $1 1-X,1-Y,1-Z L.S. 8 PLAN 2 HTAB C13A S12 HTAB C13A N14A_$1 CONF BOND $H LIST 4 fmap 2 53 53 acta MERG 2 REM REM REM WGHT 0.038800 0.059900 FVAR 1.20325 S12A 4 0.887774 0.825147 0.245269 11.00000 0.06134 0.04653 = 0.04934 0.00042 0.01245 -0.00156 S12 4 0.517681 0.753388 0.210539 11.00000 0.06507 0.05009 = 0.05754 -0.00203 0.00036 0.02468 N11A 3 1.167781 0.854662 0.435680 11.00000 0.04211 0.05021 = 0.06092 -0.00966 0.01034 0.00076 N11 3 0.598546 0.420079 0.163986 11.00000 0.03830 0.04714 = 0.07427 -0.00616 -0.00451 0.01144 N14A 3 0.815472 0.639166 0.563607 11.00000 0.05504 0.05725 = 0.05530 0.00738 0.00595 0.00161 N14 3 0.111949 0.260662 0.073990 11.00000 0.03935 0.07005 = 0.06835 -0.00688 -0.00525 0.00937 C12 1 0.435116 0.515679 0.159030 11.00000 0.04135 0.04875 = 0.03636 0.00439 0.00412 0.01506 C12A 1 0.937980 0.777139 0.391843 11.00000 0.04407 0.03292 = 0.04967 -0.00470 0.00892 0.00386 C13A 1 0.761424 0.669713 0.454688 11.00000 0.04254 0.04894 = 0.05396 0.00405 0.00422 -0.00051 AFIX 43 H13A 2 0.602192 0.618027 0.420052 11.00000 -1.20000 AFIX 0 C15 1 0.276099 0.164820 0.078632 11.00000 0.04444 0.05080 = 0.05730 -0.00448 0.00365 0.00331 AFIX 43 H15 2 0.227497 0.040696 0.051216 11.00000 -1.20000 AFIX 0 C13 1 0.191782 0.436459 0.114670 11.00000 0.04148 0.06988 = 0.05918 -0.00040 -0.00274 0.02368 AFIX 43 H13 2 0.082179 0.508859 0.113540 11.00000 -1.20000 AFIX 0 C16A 1 1.220928 0.821212 0.544626 11.00000 0.04318 0.06134 = 0.06720 -0.01187 -0.00173 0.00892 AFIX 43 H16A 2 1.380639 0.871281 0.579086 11.00000 -1.20000 AFIX 0 C16 1 0.515210 0.242535 0.122504 11.00000 0.04237 0.04716 = 0.08150 -0.00675 -0.00148 0.01413 AFIX 43 H16 2 0.623987 0.169461 0.123587 11.00000 -1.20000 AFIX 0 C15A 1 1.046955 0.715243 0.607125 11.00000 0.05912 0.06076 = 0.05374 -0.00107 -0.00151 0.01438 AFIX 43 H15A 2 1.092551 0.695813 0.682846 11.00000 -1.20000 AFIX 0 HKLF 4 REM exp_15_a.res in P-1 REM wR2 = 0.0867, GooF = S = 1.080, Restrained GooF = 1.080 for all data REM R1 = 0.0324 for 1990 Fo > 4sig(Fo) and 0.0447 for all 2551 data REM 127 parameters refined using 0 restraints END WGHT 0.0388 0.0599 REM Highest difference peak 0.243, deepest hole -0.263, 1-sigma level 0.037 Q1 1 0.6765 0.7971 0.2227 11.00000 0.05 0.24 Q2 1 0.4785 0.6151 0.1750 11.00000 0.05 0.20 ; _shelx_res_checksum 42084 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group S S12A 0.88777(8) 0.82515(5) 0.24527(3) 0.05535(14) Uani d 1 . . S S12 0.51768(8) 0.75339(6) 0.21054(3) 0.05632(14) Uani d 1 . . N N11A 1.1678(2) 0.85466(18) 0.43568(11) 0.0534(3) Uani d 1 . . N N11 0.5985(2) 0.42008(18) 0.16399(12) 0.0542(3) Uani d 1 . . N N14A 0.8155(3) 0.6392(2) 0.56361(12) 0.0586(3) Uani d 1 . . N N14 0.1119(2) 0.2607(2) 0.07399(12) 0.0613(4) Uani d 1 . . C C12 0.4351(3) 0.5157(2) 0.15903(11) 0.0416(3) Uani d 1 . . C C12A 0.9380(3) 0.77714(18) 0.39184(12) 0.0435(3) Uani d 1 . . C C13A 0.7614(3) 0.6697(2) 0.45469(13) 0.0512(4) Uani d 1 . . H H13A 0.602192 0.618027 0.420052 0.061 Uiso calc 1 . . C C15 0.2761(3) 0.1648(2) 0.07863(13) 0.0531(4) Uani d 1 . . H H15 0.227497 0.040696 0.051216 0.064 Uiso calc 1 . . C C13 0.1918(3) 0.4365(2) 0.11467(13) 0.0558(4) Uani d 1 . . H H13 0.082179 0.508859 0.113540 0.067 Uiso calc 1 . . C C16A 1.2209(3) 0.8212(2) 0.54463(15) 0.0591(4) Uani d 1 . . H H16A 1.380639 0.871281 0.579086 0.071 Uiso calc 1 . . C C16 0.5152(3) 0.2425(2) 0.12250(15) 0.0574(4) Uani d 1 . . H H16 0.623987 0.169461 0.123587 0.069 Uiso calc 1 . . C C15A 1.0470(3) 0.7152(2) 0.60712(14) 0.0589(4) Uani d 1 . . H H15A 1.092551 0.695813 0.682846 0.071 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 S12A 0.0613(3) 0.0465(2) 0.0493(2) -0.00156(17) 0.01245(17) 0.00042(15) S12 0.0651(3) 0.0501(2) 0.0575(2) 0.02468(19) 0.00036(18) -0.00203(17) N11A 0.0421(7) 0.0502(7) 0.0609(8) 0.0008(5) 0.0103(5) -0.0097(6) N11 0.0383(7) 0.0471(7) 0.0743(8) 0.0114(5) -0.0045(6) -0.0062(6) N14A 0.0550(8) 0.0572(8) 0.0553(7) 0.0016(6) 0.0059(6) 0.0074(6) N14 0.0394(7) 0.0701(9) 0.0683(8) 0.0094(6) -0.0052(6) -0.0069(7) C12 0.0414(7) 0.0488(7) 0.0364(6) 0.0151(6) 0.0041(5) 0.0044(5) C12A 0.0441(8) 0.0329(6) 0.0497(7) 0.0039(5) 0.0089(6) -0.0047(5) C13A 0.0425(8) 0.0489(8) 0.0540(8) -0.0005(6) 0.0042(6) 0.0040(6) C15 0.0444(8) 0.0508(8) 0.0573(8) 0.0033(7) 0.0037(6) -0.0045(7) C13 0.0415(8) 0.0699(11) 0.0592(9) 0.0237(8) -0.0027(6) -0.0004(8) C16A 0.0432(8) 0.0613(10) 0.0672(10) 0.0089(7) -0.0017(7) -0.0119(8) C16 0.0424(8) 0.0472(8) 0.0815(11) 0.0141(7) -0.0015(7) -0.0068(7) C15A 0.0591(10) 0.0608(10) 0.0537(9) 0.0144(8) -0.0015(7) -0.0011(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 1 0 0.0270 0 0 -1 0.0281 0 -1 0 0.0534 -1 0 0 0.0992 1 0 0 0.1348 -4 4 -13 0.0675 4 -4 13 0.0675 -8 6 1 0.0944 8 -5 -5 0.1254 0 0 1 0.0059 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 C12A S12A S12 . . 104.70(5) y C12 S12 S12A . . 104.87(5) y C12A N11A C16A . . 115.79(13) y C12 N11 C16 . . 115.54(13) y C15A N14A C13A . . 116.19(14) y C15 N14 C13 . . 116.23(13) y N11 C12 S12 . . 120.89(11) y N11 C12 C13 . . 122.03(14) y C13 C12 S12 . . 117.08(11) y N11A C12A S12A . . 112.32(10) y N11A C12A C13A . . 122.57(13) y C13A C12A S12A . . 125.10(11) y N14A C13A C12A . . 121.17(14) y N14A C13A H13A . . 119.4 ? C12A C13A H13A . . 119.4 ? N14 C15 H15 . . 119.0 ? N14 C15 C16 . . 122.02(15) y C16 C15 H15 . . 119.0 ? N14 C13 C12 . . 121.76(15) y N14 C13 H13 . . 119.1 ? C12 C13 H13 . . 119.1 ? N11A C16A H16A . . 119.1 ? N11A C16A C15A . . 121.84(15) y C15A C16A H16A . . 119.1 ? N11 C16 C15 . . 122.42(15) y N11 C16 H16 . . 118.8 ? C15 C16 H16 . . 118.8 ? N14A C15A C16A . . 122.42(15) y N14A C15A H15A . . 118.8 ? C16A C15A H15A . . 118.8 ? 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 S12A S12 . 2.0216(6) y S12A C12A . 1.7816(14) y S12 C12 . 1.7792(15) y N11A C12A . 1.3227(19) y N11A C16A . 1.334(2) y N11 C12 . 1.3166(19) y N11 C16 . 1.340(2) y N14A C13A . 1.329(2) y N14A C15A . 1.328(2) y N14 C15 . 1.321(2) y N14 C13 . 1.324(2) y C12 C13 . 1.391(2) y C12A C13A . 1.385(2) y C13A H13A . 0.9300 ? C15 H15 . 0.9300 ? C15 C16 . 1.367(2) y C13 H13 . 0.9300 ? C16A H16A . 0.9300 ? C16A C15A . 1.369(3) y C16 H16 . 0.9300 ? C15A H15A . 0.9300 ? 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 C13A H13A S12 . 0.93 2.74 3.2220(16) 113.4 yes C13A H13A N14A 2_666 0.93 2.64 3.433(2) 144.2 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 S12A S12 C12 N11 . . . . 8.43(12) ? S12A S12 C12 C13 . . . . -172.07(10) ? S12A C12A C13A N14A . . . . 179.24(12) ? S12 S12A C12A N11A . . . . -165.73(10) ? S12 S12A C12A C13A . . . . 15.01(14) ? S12 C12 C13 N14 . . . . 179.87(13) ? N11A C12A C13A N14A . . . . 0.0(2) ? N11A C16A C15A N14A . . . . 0.1(3) ? N11 C12 C13 N14 . . . . -0.6(2) ? N14 C15 C16 N11 . . . . 0.3(3) ? C12 N11 C16 C15 . . . . -0.5(2) ? C12A N11A C16A C15A . . . . -0.8(2) ? C13A N14A C15A C16A . . . . 0.8(3) ? C15 N14 C13 C12 . . . . 0.4(2) ? C13 N14 C15 C16 . . . . -0.2(2) ? C16A N11A C12A S12A . . . . -178.51(11) ? C16A N11A C12A C13A . . . . 0.8(2) ? C16 N11 C12 S12 . . . . -179.90(12) ? C16 N11 C12 C13 . . . . 0.6(2) ? C15A N14A C13A C12A . . . . -0.8(2) ? _cod_database_fobs_code 2312282