#------------------------------------------------------------------------------ #$Date: 2024-07-09 05:03:39 +0300 (Tue, 09 Jul 2024) $ #$Revision: 293326 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/25/2312544.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_2312544 loop_ _publ_author_name 'Sánchez-Pacheco, Addi Dana' 'Huerta, Eduardo H.' 'Espinosa-Camargo, Josué Benjamín' 'Rodríguez-Nájera, Evelyn Valeria' 'Martínez-Otero, Diego' 'Hernández-Ortega, Simón' 'Valdés-Martínez, Jesús' _publ_section_title ; Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic acid. ; _journal_coeditor_code DG3053 _journal_issue 8 _journal_name_full 'Acta crystallographica. Section C, Structural chemistry' _journal_paper_doi 10.1107/S2053229624005187 _journal_volume 80 _journal_year 2024 _chemical_formula_iupac 'C12 H8 F2 N2, C2 H4 O2' _chemical_formula_moiety 'C12 H8 F2 N2, C2 H4 O2' _chemical_formula_sum 'C14 H12 F2 N2 O2' _chemical_formula_weight 278.26 _chemical_name_systematic ; (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine; acetic acid ; _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 mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _cell_angle_alpha 79.5350(10) _cell_angle_beta 89.2230(10) _cell_angle_gamma 82.8800(10) _cell_formula_units_Z 2 _cell_length_a 3.80470(10) _cell_length_b 11.0101(4) _cell_length_c 15.4968(6) _cell_measurement_reflns_used 8212 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 27.51 _cell_measurement_theta_min 2.51 _cell_volume 633.42(4) _computing_cell_refinement ; SAINT (Bruker, 1998) ; _computing_data_collection ; APEX2 (Bruker, 2005) ; _computing_data_reduction ; SAINT (Bruker, 1998) ; _computing_molecular_graphics ; X-Seed 4 (Barbour, 2020) ; _computing_publication_material ; CIFTAB (Sheldrick, 2008) and PLATON (Spek, 2020) ; _computing_structure_refinement ; SHELXL (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker APEXII CCD' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0827 _diffrn_reflns_av_unetI/netI 0.0482 _diffrn_reflns_limit_h_max 4 _diffrn_reflns_limit_h_min -4 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 11642 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.516 _diffrn_reflns_theta_min 1.336 _diffrn_source 'Incoatec ImuS' _exptl_absorpt_coefficient_mu 0.119 _exptl_absorpt_correction_type none _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.459 _exptl_crystal_description Prism _exptl_crystal_F_000 288 _exptl_crystal_size_max 0.349 _exptl_crystal_size_mid 0.281 _exptl_crystal_size_min 0.210 _refine_diff_density_max 0.385 _refine_diff_density_min -0.277 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.060 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 185 _refine_ls_number_reflns 2896 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.060 _refine_ls_R_factor_all 0.0417 _refine_ls_R_factor_gt 0.0375 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0586P)^2^+0.0912P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1060 _refine_ls_wR_factor_ref 0.1096 _reflns_number_gt 2531 _reflns_number_total 2896 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file dg3053.cif _cod_data_source_block I _cod_database_code 2312544 _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 0.960 _shelx_estimated_absorpt_t_max 0.976 _shelx_hkl_file ; 0 0 -1 0.98 0.10 0 0 -1 0.98 0.10 0 0 -1 0.88 0.08 0 0 -1 1.09 0.10 0 0 -1 0.95 0.10 0 0 1 0.00 0.01 0 0 1 0.00 0.01 0 0 1 0.01 0.01 0 0 1 0.00 0.01 0 0 1 0.00 0.01 0 0 -2 2.78 0.20 0 0 2 4.34 0.29 0 0 2 3.29 0.25 0 0 2 2.86 0.20 0 0 2 3.01 0.23 0 0 2 3.14 0.25 0 0 3 87.06 1.52 0 0 3 74.10 1.37 0 0 3 67.37 1.14 0 0 3 77.31 1.34 0 0 3 73.07 1.41 0 0 4 181.31 2.54 0 0 4 158.66 2.32 0 0 4 141.74 1.91 0 0 4 158.79 2.21 0 0 4 157.60 2.40 0 0 5 38.17 1.32 0 0 5 32.68 1.19 0 0 5 32.48 1.03 0 0 5 33.97 1.16 0 0 5 32.67 1.24 0 0 6 112.00 2.47 0 0 6 94.45 2.21 0 0 6 87.37 1.85 0 0 6 93.56 2.10 0 0 6 95.17 2.31 0 0 7 77.66 2.24 0 0 7 66.70 2.03 0 0 7 61.17 1.68 0 0 7 62.48 1.87 0 0 7 67.51 2.12 0 0 8 63.40 2.19 0 0 8 51.52 1.92 0 0 8 52.08 1.67 0 0 8 52.57 1.84 0 0 8 53.51 2.04 0 0 9 212.74 4.24 0 0 9 188.50 3.90 0 0 9 177.78 3.25 0 0 9 185.07 3.66 0 0 9 192.31 4.09 0 0 10 1.72 0.55 0 0 10 0.68 0.36 0 0 10 0.71 0.33 0 0 10 1.09 0.43 0 0 10 0.95 0.44 0 0 11 16.73 1.40 0 0 11 14.62 1.09 0 0 11 13.11 1.14 0 0 11 13.43 1.27 0 0 -12 17.40 1.47 0 0 12 19.23 1.58 0 0 12 15.93 1.19 0 0 12 14.98 1.28 0 0 12 15.81 1.46 0 0 -13 9.41 1.16 0 0 13 9.78 1.24 0 0 13 9.17 0.98 0 0 13 7.68 1.02 0 0 13 9.89 1.25 0 0 -14 24.12 1.88 0 0 14 23.54 1.90 0 0 14 20.89 1.48 0 0 14 20.42 1.63 0 0 14 19.88 1.78 0 0 -15 23.59 1.95 0 0 15 25.04 2.06 0 0 15 23.87 1.63 0 0 15 19.88 1.69 0 0 15 22.84 2.01 0 0 -16 2.71 0.90 0 0 16 2.95 0.95 0 0 16 2.74 0.75 0 0 16 2.86 0.82 0 0 16 2.14 0.81 0 0 -17 12.25 1.57 0 0 17 11.81 1.60 0 0 17 10.52 1.41 0 0 17 11.43 1.63 0 0 -18 64.09 3.51 0 0 18 57.32 3.43 0 0 18 48.55 2.86 0 0 18 58.33 3.53 0 0 -19 26.80 2.43 0 0 19 26.57 2.50 0 0 19 22.62 2.08 0 0 19 26.36 2.51 0 -1 19 32.53 2.83 0 -1 19 22.96 2.20 0 1 -19 34.98 2.79 0 1 -19 30.23 2.76 0 -1 18 5.37 1.33 0 -1 18 3.98 1.06 0 1 -18 4.72 1.16 0 -1 17 0.55 0.56 0 -1 17 0.71 0.61 0 1 -17 1.24 0.66 0 -1 16 1.58 0.79 0 -1 16 2.08 0.80 0 -1 16 1.38 0.75 0 1 -16 3.12 0.95 0 -1 15 25.49 2.16 0 -1 15 21.18 1.50 0 -1 15 21.96 1.83 0 -1 15 22.27 2.03 0 1 -15 24.13 1.98 0 -1 14 57.29 3.04 0 -1 14 52.15 2.18 0 -1 14 47.59 2.53 0 -1 14 54.45 2.97 0 1 -14 56.89 2.85 0 -1 13 1.24 0.62 0 -1 13 0.77 0.41 0 -1 13 0.73 0.47 0 -1 13 1.38 0.66 0 1 -13 0.75 0.53 0 -1 12 339.84 6.62 0 -1 12 294.91 4.71 0 -1 12 288.66 5.60 0 -1 12 305.13 6.31 0 1 -12 322.98 6.08 0 -1 11 162.61 4.38 0 -1 11 139.98 3.10 0 -1 11 137.80 3.71 0 -1 11 143.87 4.13 0 1 -11 154.32 4.00 0 -1 10 18.97 1.47 0 -1 10 15.80 1.02 0 -1 10 16.00 1.25 0 -1 10 16.88 1.39 0 1 -10 17.24 1.31 0 -1 9 17.68 1.33 0 -1 9 14.30 0.92 0 -1 9 16.64 1.20 0 -1 9 14.21 1.21 0 1 -9 16.29 1.20 0 -1 8 11.60 1.03 0 -1 8 8.89 0.70 0 -1 8 9.95 0.89 0 -1 8 9.99 0.96 0 1 -8 10.77 0.94 0 -1 7 117.65 2.94 0 -1 7 93.62 1.99 0 -1 7 104.67 2.58 0 -1 7 105.46 2.79 0 1 -7 107.28 2.62 0 -1 6 46.37 1.72 0 -1 6 35.96 1.14 0 -1 6 43.49 1.56 0 -1 6 40.91 1.62 0 1 -6 42.23 1.53 0 -1 5 55.32 1.73 0 -1 5 42.37 1.12 0 -1 5 52.52 1.57 0 -1 5 48.56 1.62 0 1 -5 50.82 1.53 0 -1 4 269.99 3.44 0 -1 4 208.85 2.21 0 -1 4 268.21 3.23 0 -1 4 231.76 3.18 0 1 -4 246.87 3.04 0 -1 3 270.18 3.06 0 -1 3 206.78 1.92 0 -1 3 269.64 2.91 0 -1 3 225.19 2.79 0 1 -3 242.58 2.67 0 -1 2 347.32 2.98 0 -1 2 295.60 1.98 0 -1 2 376.20 3.49 0 -1 2 308.22 2.81 0 1 -2 322.69 2.67 0 1 -2 323.56 2.09 0 -1 1 212.94 1.88 0 -1 1 219.40 1.69 0 -1 1 244.59 2.09 0 1 -1 194.78 1.77 0 1 -1 233.56 1.57 0 -1 0 27.51 0.47 0 -1 0 0.02 0.02 0 -1 0 28.71 0.61 0 -1 0 22.99 0.51 0 1 0 27.53 0.47 0 1 0 22.20 0.54 0 1 0 28.65 0.57 0 1 0 0.00 0.02 0 -1 -1 4.99 0.25 0 -1 -1 4.66 0.22 0 1 1 5.32 0.29 0 1 1 4.33 0.23 0 1 1 5.28 0.24 0 -1 -2 40.67 0.62 0 -1 -2 29.15 0.66 0 1 2 39.25 0.61 0 1 2 33.71 0.84 0 1 2 34.82 0.85 0 1 2 29.66 0.69 0 1 3 61.24 1.07 0 1 3 54.69 1.24 0 1 3 53.37 1.19 0 1 3 46.59 0.99 0 1 3 47.38 1.06 0 1 4 619.83 4.51 0 1 4 547.50 5.01 0 1 4 541.17 4.17 0 1 4 481.73 3.62 0 1 4 522.83 4.09 0 1 5 84.12 1.75 0 1 5 73.56 1.80 0 1 5 69.36 1.64 0 1 5 64.21 1.49 0 1 5 69.29 1.69 0 1 6 171.60 2.80 0 1 6 153.52 2.84 0 1 6 148.67 2.59 0 1 6 135.54 2.39 0 1 6 146.99 2.73 0 1 7 882.24 6.97 0 1 7 754.63 6.81 0 1 7 753.39 6.24 0 1 7 692.72 5.88 0 1 7 754.57 6.74 0 1 8 704.57 6.76 0 1 8 627.45 6.66 0 1 8 617.66 6.02 0 1 8 561.19 5.71 0 1 8 606.63 6.53 0 1 9 261.12 4.43 0 1 9 233.37 4.34 0 1 9 230.23 3.89 0 1 9 209.44 3.74 0 1 9 224.12 4.26 0 1 10 306.41 5.13 0 1 10 263.60 4.89 0 1 10 262.75 4.38 0 1 10 240.63 4.25 0 1 10 262.22 4.91 0 1 11 62.87 2.49 0 1 11 55.32 2.39 0 1 11 57.97 2.19 0 1 11 51.54 2.10 0 1 11 59.42 2.50 0 1 12 18.72 1.47 0 1 12 15.17 1.37 0 1 12 14.29 1.17 0 1 12 11.39 1.10 0 1 12 15.63 1.40 0 1 13 4.26 0.84 0 1 13 2.83 0.75 0 1 13 2.88 0.68 0 1 13 2.41 0.64 0 1 13 3.17 0.81 0 1 14 70.99 3.09 0 1 14 63.42 2.95 0 1 14 67.45 2.68 0 1 14 59.78 2.62 0 1 14 65.11 3.05 0 1 15 98.46 3.80 0 1 15 96.23 3.30 0 1 15 84.43 3.24 0 1 15 94.18 3.82 0 -1 -16 48.18 2.81 0 1 16 46.49 2.76 0 1 16 38.54 2.31 0 1 16 41.52 2.70 0 -1 -17 0.01 0.46 0 -1 -17 -0.05 0.36 0 1 17 0.09 0.41 0 1 17 0.03 0.39 0 1 17 -0.09 0.44 0 -1 -18 0.86 0.66 0 -1 -18 0.59 0.53 0 1 18 1.04 0.70 0 1 18 1.16 0.68 0 1 18 2.03 0.92 0 -1 -19 23.23 2.28 0 1 19 20.67 2.16 0 1 19 19.45 1.90 0 1 19 23.42 2.34 0 -1 -20 0.11 0.58 0 1 20 0.13 0.63 0 1 20 0.14 0.66 0 -2 19 28.88 2.80 0 -2 19 25.04 2.36 0 2 -19 28.47 2.54 0 2 -19 30.29 2.85 0 -2 18 0.06 0.60 0 -2 18 0.88 0.66 0 2 -18 1.05 0.74 0 2 -18 1.15 0.77 0 -2 17 4.32 1.22 0 -2 17 4.66 1.12 0 2 -17 4.70 1.14 0 2 -17 5.83 1.35 0 -2 16 3.28 1.05 0 -2 16 2.67 0.92 0 2 -16 2.99 0.92 0 2 -16 2.64 0.97 0 -2 15 18.64 1.94 0 -2 15 13.17 1.50 0 2 -15 15.32 1.64 0 -2 14 118.65 4.47 0 -2 14 98.27 2.88 0 -2 14 99.82 3.77 0 2 -14 110.32 3.99 0 -2 13 111.97 4.17 0 -2 13 94.76 2.73 0 -2 13 98.41 3.60 0 -2 13 98.50 3.91 0 2 -13 109.83 3.82 0 -2 12 24.75 1.95 0 -2 12 22.05 1.31 0 -2 12 22.67 1.72 0 -2 12 22.50 1.85 0 2 -12 26.54 1.86 0 -2 11 104.47 3.68 0 -2 11 83.79 2.35 0 -2 11 89.66 3.16 0 -2 11 89.83 3.40 0 2 -11 100.51 3.32 0 -2 10 112.65 3.63 0 -2 10 89.56 2.31 0 -2 10 99.72 3.17 0 -2 10 97.57 3.37 0 2 -10 110.45 3.30 0 -2 9 86.88 3.03 0 -2 9 66.66 1.89 0 -2 9 81.27 2.73 0 -2 9 81.54 2.92 0 2 -9 81.41 2.69 0 -2 8 150.82 3.75 0 -2 8 118.88 2.37 0 -2 8 137.35 3.36 0 -2 8 133.04 3.52 0 2 -8 138.83 3.31 0 -2 7 7.66 0.85 0 -2 7 4.82 0.49 0 -2 7 5.33 0.68 0 -2 7 5.53 0.74 0 2 -7 5.43 0.67 0 -2 6 59.91 2.09 0 -2 6 47.63 1.32 0 -2 6 60.34 2.00 0 -2 6 52.29 1.95 0 2 -6 57.43 1.88 0 -2 5 552.87 5.85 0 -2 5 444.42 3.70 0 -2 5 567.80 5.69 0 -2 5 488.32 5.50 0 2 -5 515.81 5.21 0 -2 4 8.14 0.68 0 -2 4 6.93 0.45 0 -2 4 8.43 0.68 0 2 -4 6.80 0.58 0 -2 3 539.16 4.81 0 -2 3 463.50 3.29 0 -2 3 576.23 4.96 0 2 -3 490.47 4.33 0 2 -3 448.61 4.44 0 -2 2 0.21 0.15 0 -2 2 0.27 0.14 0 -2 2 0.42 0.21 0 2 -2 0.15 0.15 0 2 -2 0.07 0.15 0 2 -1 1552.23 10.59 0 2 -1 1481.59 9.98 0 2 0 1327.54 9.76 0 2 0 1279.52 8.60 0 -2 -1 325.59 1.79 0 -2 -1 317.62 2.90 0 -2 -1 297.30 2.67 0 2 1 282.37 1.44 0 2 1 255.69 2.65 0 2 1 248.08 2.22 0 -2 -2 396.26 3.07 0 2 2 392.68 3.46 0 2 2 355.59 3.05 0 -2 -3 291.05 1.72 0 -2 -3 260.47 3.05 0 -2 -3 216.07 2.37 0 2 3 259.93 1.63 0 2 3 241.16 2.93 0 2 3 214.81 2.33 0 -2 -4 52.05 1.26 0 2 4 66.22 1.13 0 2 4 61.61 1.62 0 2 4 54.42 1.32 0 -2 -5 40.38 1.21 0 2 5 52.92 1.22 0 2 5 45.50 1.51 0 2 5 46.70 1.50 0 2 5 43.30 1.32 0 2 6 203.34 2.75 0 2 6 177.80 3.19 0 2 6 181.75 3.12 0 2 6 150.24 2.51 0 2 6 169.25 2.86 0 2 7 909.86 6.49 0 2 7 786.50 7.16 0 2 7 797.57 6.92 0 2 7 680.21 5.75 0 2 7 754.59 6.56 0 2 8 284.14 3.99 0 2 8 259.48 4.39 0 2 8 249.16 4.09 0 2 8 215.18 3.47 0 2 8 244.55 4.04 0 2 9 41.67 1.68 0 2 9 37.80 1.80 0 2 9 38.71 1.72 0 2 9 32.08 1.45 0 2 9 37.40 1.72 0 2 10 19.48 1.26 0 2 10 17.50 1.32 0 2 10 18.91 1.28 0 2 10 16.92 1.13 0 2 10 18.28 1.30 0 2 11 51.71 2.14 0 2 11 44.95 2.18 0 2 11 46.99 2.07 0 2 11 40.93 1.84 0 2 11 44.84 2.12 0 2 12 4.28 0.77 0 2 12 5.44 0.90 0 2 12 4.78 0.78 0 2 12 2.93 0.63 0 2 12 4.70 0.81 0 2 13 5.29 0.88 0 2 13 4.66 0.90 0 2 13 6.20 0.91 0 2 13 4.81 0.78 0 2 13 6.10 0.99 0 2 14 3.12 0.78 0 2 14 2.94 0.80 0 2 14 2.35 0.65 0 2 14 1.92 0.69 0 -2 -15 22.10 1.69 0 2 15 23.13 1.82 0 2 15 22.47 1.93 0 2 15 21.89 1.66 0 2 15 23.31 1.92 0 -2 -16 63.88 2.90 0 2 16 65.56 3.13 0 2 16 56.35 3.06 0 2 16 53.79 2.66 0 2 16 63.04 3.22 0 -2 -17 0.27 0.40 0 2 17 0.04 0.39 0 2 17 0.08 0.44 0 2 17 0.01 0.40 0 2 17 0.38 0.52 0 -2 -18 8.38 1.24 0 2 18 9.34 1.42 0 2 18 10.01 1.36 0 2 18 10.98 1.58 0 -2 -19 -0.04 0.52 0 -2 -19 0.51 0.51 0 2 19 -0.20 0.44 0 2 19 -0.19 0.43 0 2 19 0.30 0.50 0 -2 -20 1.53 0.90 0 2 20 1.31 0.80 0 2 20 0.80 0.70 0 -3 18 0.42 0.68 0 -3 18 1.24 0.74 0 3 -18 0.15 0.56 0 3 -18 0.65 0.75 0 -3 17 0.15 0.55 0 -3 17 0.05 0.50 0 3 -17 0.19 0.54 0 3 -17 -0.08 0.52 0 -3 16 -0.23 0.41 0 -3 16 0.33 0.52 0 3 -16 0.38 0.50 0 3 -16 0.31 0.57 0 -3 15 22.15 2.18 0 -3 15 21.11 1.97 0 3 -15 20.15 1.90 0 3 -15 19.12 2.03 0 -3 14 2.09 0.86 0 -3 14 3.44 0.94 0 3 -14 4.31 0.98 0 3 -14 3.46 1.03 0 -3 13 0.22 0.45 0 -3 13 0.01 0.33 0 -3 13 0.04 0.41 0 3 -13 0.09 0.43 0 3 -13 -0.10 0.35 0 -3 12 944.96 11.94 0 -3 12 802.17 7.42 0 -3 12 873.77 10.71 0 3 -12 907.30 10.67 0 3 -12 860.00 11.37 0 -3 11 26.77 2.01 0 -3 11 20.01 1.19 0 -3 11 24.76 1.82 0 3 -11 23.25 1.71 0 3 -11 21.48 1.80 0 -3 10 99.42 3.57 0 -3 10 78.73 2.16 0 -3 10 88.16 3.17 0 3 -10 88.26 3.07 0 3 -10 83.13 3.26 0 -3 9 24.88 1.74 0 -3 9 20.37 1.08 0 -3 9 23.78 1.62 0 3 -9 22.72 1.52 0 3 -9 21.21 1.60 0 -3 8 105.01 3.31 0 -3 8 83.57 2.02 0 -3 8 102.15 3.11 0 3 -8 96.58 2.90 0 3 -8 91.67 3.09 0 -3 7 194.75 4.24 0 -3 7 154.54 2.61 0 -3 7 199.24 4.13 0 3 -7 178.46 3.73 0 3 -7 164.61 3.90 0 -3 6 79.87 2.56 0 -3 6 62.09 1.59 0 -3 6 79.46 2.49 0 3 -6 67.51 2.18 0 3 -6 68.85 2.39 0 -3 5 58.06 2.05 0 -3 5 46.43 1.32 0 -3 5 61.90 2.09 0 3 -5 52.50 1.82 0 3 -5 49.95 1.92 0 -3 4 7.89 0.74 0 -3 4 6.56 0.51 0 -3 4 8.45 0.76 0 3 -4 7.54 0.68 0 3 -4 7.05 0.71 0 -3 3 1178.81 10.05 0 -3 3 1135.35 8.23 0 -3 3 1296.79 10.27 0 3 -3 1057.17 8.80 0 3 -3 1001.18 8.32 0 -3 2 0.92 0.27 0 -3 2 0.59 0.20 0 -3 2 0.89 0.29 0 3 -2 0.71 0.25 0 3 -2 0.57 0.24 0 -3 1 8.85 0.57 0 -3 1 10.16 0.61 0 -3 1 10.01 0.70 0 3 -1 7.75 0.60 0 3 -1 6.50 0.54 0 -3 0 1.76 0.25 0 -3 0 1.83 0.31 0 -3 0 1.73 0.34 0 3 0 1.45 0.30 0 3 0 1.05 0.25 0 -3 -1 222.05 1.84 0 -3 -1 222.19 2.92 0 -3 -1 219.51 2.86 0 3 1 178.56 2.70 0 3 1 170.63 2.30 0 -3 -2 1.96 0.34 0 -3 -2 1.86 0.31 0 3 2 1.97 0.34 0 3 2 1.23 0.24 0 -3 -3 451.97 4.60 0 -3 -3 400.19 3.80 0 3 3 394.06 4.28 0 3 3 359.90 3.36 0 -3 -4 181.53 3.07 0 -3 -4 156.55 2.44 0 3 4 161.75 2.89 0 3 4 148.05 2.30 0 -3 -5 14.55 0.94 0 -3 -5 11.88 0.72 0 3 5 12.77 0.51 0 3 5 12.69 0.88 0 3 5 11.75 0.72 0 -3 -6 541.97 5.87 0 -3 -6 443.35 4.50 0 3 6 540.52 3.90 0 3 6 503.00 5.69 0 3 6 457.28 4.71 0 -3 -7 2.49 0.50 0 -3 -7 2.49 0.43 0 3 7 3.25 0.40 0 3 7 2.63 0.52 0 3 7 3.01 0.48 0 -3 -8 59.01 2.14 0 -3 -8 45.30 1.63 0 3 8 57.59 1.66 0 3 8 55.62 2.13 0 3 8 48.85 1.80 0 -3 -9 11.75 0.90 0 3 9 14.55 0.94 0 3 9 12.56 1.10 0 3 9 14.37 1.07 0 -3 -10 130.33 3.06 0 3 10 162.87 3.29 0 3 10 150.91 3.86 0 3 10 148.87 3.55 0 -3 -11 33.96 1.86 0 3 11 38.92 1.75 0 3 11 37.80 2.05 0 3 11 33.43 1.81 0 -3 -12 18.61 1.48 0 3 12 19.33 1.35 0 3 12 21.24 1.64 0 3 12 18.72 1.46 0 -3 -13 0.44 0.40 0 3 13 0.19 0.32 0 3 13 0.15 0.36 0 3 13 -0.06 0.25 0 3 13 0.23 0.36 0 -3 -14 11.30 1.26 0 3 14 11.94 1.23 0 3 14 12.72 1.42 0 3 14 8.31 1.02 0 3 14 11.94 1.33 0 -3 -15 4.13 0.89 0 3 15 3.94 0.83 0 3 15 4.04 0.96 0 3 15 4.01 0.93 0 -3 -16 0.29 0.44 0 3 16 0.08 0.38 0 3 16 -0.05 0.40 0 3 16 0.35 0.41 0 -3 -17 2.50 0.82 0 3 17 1.02 0.61 0 3 17 1.00 0.65 0 3 17 1.62 0.77 0 -3 -18 1.31 0.65 0 -3 -18 1.88 0.72 0 3 18 2.16 0.81 0 3 18 1.38 0.72 0 3 18 2.51 0.94 0 -3 -19 0.44 0.56 0 -3 -19 0.43 0.50 0 3 19 0.40 0.57 0 3 19 -0.33 0.44 0 3 19 -0.10 0.46 0 -3 -20 -0.33 0.42 0 3 20 -0.12 0.51 0 3 20 0.13 0.56 0 -4 17 5.90 1.46 0 -4 17 4.91 1.26 0 4 -17 5.18 1.25 0 4 -17 3.65 1.24 0 -4 16 1.45 0.84 0 -4 16 1.55 0.87 0 4 -16 1.45 0.75 0 4 -16 0.75 0.72 0 -4 15 10.07 1.62 0 -4 15 10.22 1.53 0 4 -15 12.62 1.58 0 4 -15 9.37 1.58 0 -4 14 57.65 3.39 0 -4 14 55.61 3.10 0 4 -14 55.08 3.00 0 4 -14 52.86 3.23 0 -4 13 91.86 4.08 0 -4 13 84.08 3.67 0 4 -13 91.65 3.69 0 4 -13 84.77 3.91 0 -4 12 51.28 2.97 0 -4 12 44.10 1.78 0 -4 12 51.99 2.81 0 4 -12 47.03 2.57 0 4 -12 45.41 2.77 0 -4 11 331.24 7.07 0 -4 11 273.21 4.20 0 -4 11 324.63 6.64 0 4 -11 326.08 6.37 0 4 -11 297.74 6.68 0 -4 10 8.59 1.22 0 -4 10 6.89 0.72 0 -4 10 9.54 1.21 0 4 -10 8.11 1.07 0 4 -10 8.93 1.23 0 -4 9 -0.10 0.27 0 -4 9 -0.06 0.20 0 -4 9 0.08 0.35 0 4 -9 0.16 0.30 0 4 -9 0.41 0.35 0 -4 8 120.92 3.72 0 -4 8 97.63 2.28 0 -4 8 128.88 3.73 0 4 -8 113.81 3.33 0 4 -8 105.78 3.49 0 -4 7 9.46 1.04 0 -4 7 8.52 0.69 0 -4 7 10.45 1.08 0 4 -7 9.01 0.95 0 4 -7 8.48 1.00 0 -4 6 76.93 2.66 0 -4 6 63.21 1.73 0 -4 6 77.02 2.66 0 4 -6 71.96 2.42 0 4 -6 64.97 2.48 0 -4 5 22.04 1.37 0 -4 5 20.08 0.97 0 -4 5 22.68 1.41 0 4 -5 20.00 1.25 0 4 -5 18.65 1.29 0 -4 4 310.91 4.69 0 -4 4 292.36 3.57 0 -4 4 343.62 5.11 0 4 -4 275.15 4.32 0 4 -4 265.54 4.46 0 -4 3 2.49 0.46 0 -4 3 1.97 0.37 0 -4 3 2.41 0.51 0 4 -3 2.41 0.47 0 4 -3 1.58 0.43 0 -4 2 537.84 5.24 0 -4 2 600.07 5.12 0 -4 2 612.67 6.25 0 4 -2 462.41 5.22 0 4 -2 442.32 5.10 0 -4 1 2.19 0.35 0 -4 1 2.83 0.42 0 -4 1 2.77 0.46 0 4 -1 2.06 0.40 0 4 -1 1.75 0.36 0 -4 0 139.77 2.13 0 -4 0 153.70 2.70 0 -4 0 153.37 2.90 0 4 0 114.40 2.51 0 4 0 112.62 2.30 0 -4 -1 253.52 2.43 0 -4 -1 263.18 3.65 0 -4 -1 263.08 3.67 0 4 1 196.54 3.29 0 4 1 191.99 2.86 0 -4 -2 1879.77 15.97 0 -4 -2 1822.23 14.05 0 4 2 1572.09 7.90 0 4 2 1511.24 11.91 0 4 2 1421.53 10.86 0 -4 -3 97.18 2.40 0 -4 -3 91.07 2.10 0 4 3 79.92 2.18 0 4 3 75.09 1.75 0 -4 -4 246.82 3.96 0 -4 -4 221.44 3.29 0 4 4 214.73 3.69 0 4 4 195.34 2.88 0 -4 -5 1.68 0.43 0 -4 -5 3.18 0.46 0 4 5 1.38 0.40 0 4 5 1.71 0.35 0 -4 -6 56.12 2.07 0 -4 -6 47.23 1.60 0 4 6 52.34 1.99 0 4 6 46.69 1.57 0 -4 -7 19.43 1.29 0 -4 -7 14.67 0.94 0 4 7 17.29 0.71 0 4 7 17.30 1.22 0 4 7 15.62 0.98 0 -4 -8 30.66 1.66 0 -4 -8 26.18 1.30 0 4 8 28.98 1.05 0 4 8 30.75 1.68 0 4 8 26.04 1.33 0 -4 -9 0.32 0.30 0 -4 -9 0.23 0.25 0 4 9 0.31 0.20 0 4 9 0.52 0.34 0 4 9 0.33 0.26 0 -4 -10 46.50 2.20 0 -4 -10 34.92 1.63 0 4 10 45.92 1.62 0 4 10 41.71 2.12 0 4 10 39.58 1.84 0 -4 -11 0.09 0.29 0 -4 -11 0.14 0.25 0 4 11 0.18 0.22 0 4 11 0.25 0.34 0 4 11 0.19 0.26 0 -4 -12 110.77 3.62 0 -4 -12 90.22 2.83 0 4 12 111.19 2.93 0 4 12 105.11 3.64 0 4 12 103.02 3.28 0 -4 -13 6.17 1.01 0 -4 -13 5.33 0.83 0 4 13 7.56 0.88 0 4 13 6.74 1.08 0 4 13 7.95 1.05 0 -4 -14 17.89 1.62 0 -4 -14 15.42 1.32 0 4 14 18.13 1.40 0 4 14 17.66 1.68 0 4 14 16.60 1.50 0 -4 -15 118.88 4.13 0 -4 -15 98.78 3.34 0 4 15 116.96 3.58 0 4 15 108.57 4.18 0 4 15 113.48 3.96 0 -4 -16 2.65 0.84 0 -4 -16 3.23 0.79 0 4 16 3.55 0.84 0 4 16 3.44 1.01 0 4 16 3.25 0.90 0 -4 -17 1.51 0.71 0 -4 -17 1.22 0.58 0 4 17 1.72 0.70 0 4 17 1.83 0.82 0 4 17 1.45 0.73 0 -4 -18 3.87 1.05 0 -4 -18 1.93 0.71 0 4 18 2.32 0.81 0 4 18 2.70 0.99 0 4 18 3.08 0.97 0 -4 -19 3.14 1.00 0 4 19 3.78 1.21 0 4 19 3.97 1.10 0 -4 -20 12.79 1.67 0 4 20 8.71 1.64 0 4 20 9.43 1.58 0 -5 17 3.86 1.35 0 -5 17 4.81 1.38 0 5 -17 5.11 1.32 0 5 -17 5.01 1.47 0 -5 16 1.23 0.85 0 -5 16 0.85 0.72 0 5 -16 0.22 0.55 0 5 -16 0.22 0.60 0 -5 15 26.90 2.56 0 -5 15 26.21 2.36 0 5 -15 25.67 2.25 0 5 -15 23.90 2.42 0 -5 14 -0.02 0.47 0 -5 14 0.84 0.59 0 5 -14 -0.10 0.42 0 5 -14 0.24 0.50 0 -5 13 0.15 0.47 0 -5 13 -0.10 0.42 0 5 -13 0.19 0.50 0 5 -13 -0.20 0.37 0 -5 12 90.76 4.04 0 -5 12 83.09 3.70 0 5 -12 86.79 3.59 0 5 -12 79.03 3.78 0 -5 11 6.52 1.21 0 -5 11 4.81 0.69 0 -5 11 5.88 1.13 0 5 -11 4.82 0.96 0 5 -11 5.68 1.14 0 -5 10 24.36 1.99 0 -5 10 18.98 1.17 0 -5 10 23.51 1.91 0 5 -10 21.42 1.69 0 5 -10 20.77 1.85 0 -5 9 0.19 0.37 0 -5 9 0.34 0.29 0 -5 9 1.02 0.61 0 5 -9 0.33 0.36 0 5 -9 0.55 0.46 0 -5 8 6.58 1.02 0 -5 8 5.69 0.65 0 -5 8 8.04 1.10 0 5 -8 5.84 0.88 0 5 -8 6.72 1.02 0 -5 7 1.34 0.55 0 -5 7 1.48 0.41 0 -5 7 1.68 0.63 0 5 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-5 176.43 3.79 0 -5 -5 154.73 3.10 0 5 5 151.19 3.50 0 5 5 135.29 2.70 0 -5 -6 60.77 2.31 0 -5 -6 51.41 1.82 0 5 6 49.39 2.08 0 5 6 46.45 1.65 0 -5 -7 12.71 1.14 0 -5 -7 10.93 0.89 0 5 7 9.86 1.00 0 5 7 9.21 0.80 0 -5 -8 8.25 0.97 0 -5 -8 6.99 0.74 0 5 8 6.82 0.88 0 5 8 5.76 0.69 0 -5 -9 36.10 1.13 0 -5 -9 44.05 2.19 0 -5 -9 35.73 1.65 0 5 9 37.81 2.04 0 5 9 36.89 1.70 0 -5 -10 269.25 5.53 0 -5 -10 228.41 4.26 0 5 10 252.18 5.39 0 5 10 229.44 4.40 0 -5 -11 215.25 5.11 0 -5 -11 171.82 3.83 0 5 11 191.17 3.22 0 5 11 193.82 4.91 0 5 11 187.79 4.19 0 -5 -12 386.46 7.05 0 -5 -12 308.59 5.31 0 5 12 349.32 4.73 0 5 12 327.02 6.61 0 5 12 338.65 5.90 0 -5 -13 4.54 0.92 0 -5 -13 5.96 0.89 0 5 13 4.39 0.68 0 5 13 4.55 0.96 0 5 13 4.36 0.84 0 -5 -14 0.20 0.42 0 -5 -14 0.05 0.33 0 5 14 0.18 0.29 0 5 14 0.22 0.40 0 5 14 0.13 0.36 0 -5 -15 16.26 1.69 0 -5 -15 13.26 1.30 0 5 15 17.78 1.37 0 5 15 17.36 1.78 0 5 15 15.58 1.54 0 -5 -16 1.50 0.69 0 -5 -16 2.25 0.73 0 5 16 1.54 0.60 0 5 16 0.81 0.62 0 5 16 0.97 0.56 0 -5 -17 26.66 2.23 0 -5 -17 21.72 1.73 0 5 17 23.00 2.18 0 5 17 24.45 2.05 0 -5 -18 5.31 1.22 0 -5 -18 2.99 0.99 0 5 18 3.54 1.15 0 5 18 3.31 1.02 0 -5 -19 4.86 1.22 0 5 19 6.81 1.48 0 5 19 5.02 1.18 0 -6 16 7.16 1.57 0 -6 16 5.84 1.43 0 6 -16 7.65 1.49 0 6 -16 7.10 1.63 0 -6 15 76.37 4.31 0 -6 15 73.50 4.02 0 6 -15 84.20 4.05 0 6 -15 65.96 4.02 0 -6 14 17.34 2.10 0 -6 14 17.61 2.01 0 6 -14 16.98 1.87 0 6 -14 15.96 2.04 0 -6 13 -0.19 0.37 0 -6 13 0.41 0.56 0 6 -13 0.26 0.47 0 6 -13 0.00 0.46 0 -6 12 17.70 1.95 0 -6 12 18.34 1.93 0 6 -12 16.56 1.71 0 6 -12 14.86 1.81 0 -6 11 12.76 1.62 0 -6 11 13.37 1.63 0 6 -11 10.96 1.41 0 6 -11 10.24 1.48 0 -6 10 11.02 1.47 0 -6 10 8.41 0.86 0 -6 10 11.56 1.50 0 6 -10 10.92 1.32 0 6 -10 11.35 1.49 0 -6 9 1.37 0.62 0 -6 9 1.09 0.41 0 -6 9 1.47 0.70 0 6 -9 1.11 0.59 0 6 -9 1.12 0.59 0 -6 8 2.87 0.81 0 -6 8 2.50 0.53 0 -6 8 4.23 0.93 0 6 -8 3.23 0.78 0 6 -8 2.57 0.80 0 -6 7 24.95 1.82 0 -6 7 19.95 1.20 0 -6 7 28.09 1.98 0 6 -7 26.20 1.78 0 6 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319.21 5.50 0 6 5 287.56 4.25 0 -6 -6 5.79 0.85 0 -6 -6 5.49 0.70 0 6 6 4.31 0.73 0 6 6 4.15 0.58 0 -6 -7 9.44 1.06 0 -6 -7 9.62 0.91 0 6 7 8.56 1.01 0 6 7 7.57 0.77 0 -6 -8 153.55 4.17 0 -6 -8 132.09 3.26 0 6 8 131.61 3.84 0 6 8 122.31 3.02 0 -6 -9 72.72 2.97 0 -6 -9 63.19 2.31 0 6 9 66.39 2.83 0 6 9 59.66 2.21 0 -6 -10 2.19 0.70 0 -6 -10 1.34 0.49 0 6 10 2.40 0.71 0 6 10 1.85 0.55 0 -6 -11 178.90 2.64 0 -6 -11 228.05 5.53 0 -6 -11 185.69 4.14 0 6 11 205.47 5.27 0 6 11 179.84 4.15 0 -6 -12 24.69 1.13 0 -6 -12 30.31 2.14 0 -6 -12 23.19 1.57 0 6 12 24.30 1.95 0 6 12 23.16 1.61 0 -6 -13 4.96 0.61 0 -6 -13 5.59 1.09 0 -6 -13 3.83 0.80 0 6 13 4.43 0.97 0 6 13 5.52 0.90 0 -6 -14 28.44 2.19 0 -6 -14 22.35 1.63 0 6 14 24.56 2.09 0 6 14 24.84 1.81 0 -6 -15 10.17 1.43 0 -6 -15 8.71 1.11 0 6 15 7.53 1.29 0 6 15 8.88 1.21 0 -6 -16 13.93 1.67 0 -6 -16 6.90 1.04 0 6 16 11.09 1.58 0 6 16 8.96 1.26 0 -6 -17 15.33 1.82 0 -6 -17 12.28 1.36 0 6 17 14.53 1.83 0 6 17 14.40 1.61 0 -6 -18 0.60 0.65 0 6 18 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134.55 4.11 0 7 8 118.11 3.10 0 -7 -9 3.45 0.83 0 -7 -9 3.01 0.65 0 7 9 3.69 0.83 0 7 9 2.51 0.60 0 -7 -10 0.19 0.38 0 -7 -10 0.11 0.29 0 7 10 0.15 0.36 0 7 10 0.14 0.30 0 -7 -11 27.94 2.11 0 -7 -11 25.38 1.65 0 7 11 24.51 1.98 0 7 11 21.49 1.53 0 -7 -12 1127.29 13.23 0 -7 -12 962.80 10.04 0 7 12 981.41 12.36 0 7 12 942.40 9.99 0 -7 -13 9.15 1.39 0 -7 -13 8.08 1.07 0 7 13 6.56 1.19 0 7 13 7.72 1.04 0 -7 -14 0.43 0.55 0 -7 -14 0.39 0.40 0 7 14 0.11 0.40 0 7 14 -0.16 0.30 0 -7 -15 1.28 0.71 0 -7 -15 0.59 0.46 0 7 15 0.90 0.61 0 7 15 1.15 0.61 0 -7 -16 0.18 0.50 0 -7 -16 0.59 0.48 0 7 16 0.00 0.43 0 7 16 -0.02 0.36 0 -7 -17 -0.09 0.44 0 7 17 0.30 0.53 0 7 17 0.06 0.41 0 -7 -18 1.21 0.79 0 7 18 0.90 0.74 0 7 18 0.61 0.54 0 -7 -19 76.45 4.16 0 7 19 62.85 3.91 0 -8 14 0.03 0.68 0 -8 14 -0.30 0.55 0 8 -14 -0.40 0.45 0 8 -14 0.37 0.67 0 -8 13 0.32 0.62 0 -8 13 -0.17 0.58 0 8 -13 0.11 0.60 0 8 -13 0.41 0.65 0 -8 12 22.10 2.33 0 -8 12 20.63 2.29 0 8 -12 17.89 1.94 0 8 -12 15.19 2.01 0 -8 11 0.97 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16.48 1.73 0 9 -4 11.21 1.39 0 9 -4 11.92 1.43 0 -9 3 114.27 3.56 0 -9 3 126.28 3.73 0 -9 3 140.03 4.68 0 9 -3 93.59 3.71 0 9 -3 95.09 3.64 0 -9 2 264.71 5.09 0 -9 2 300.01 5.78 0 -9 2 311.62 6.80 0 9 -2 236.68 5.80 0 9 -2 228.73 5.44 0 -9 1 0.02 0.26 0 -9 1 -0.12 0.34 0 -9 1 0.09 0.47 0 9 -1 -0.01 0.35 0 9 -1 -0.08 0.33 0 -9 0 116.34 2.96 0 -9 0 143.28 4.13 0 -9 0 145.17 4.49 0 9 0 104.03 3.81 0 9 0 97.60 3.38 0 -9 -1 37.22 1.56 0 -9 -1 41.60 2.30 0 -9 -1 42.52 2.43 0 9 1 28.94 2.05 0 9 1 29.53 1.84 0 -9 -2 2.42 0.45 0 -9 -2 3.15 0.83 0 -9 -2 2.76 0.81 0 9 2 2.47 0.78 0 9 2 1.51 0.55 0 -9 -3 5.67 0.52 0 -9 -3 7.34 1.10 0 -9 -3 7.69 1.10 0 9 3 4.61 0.94 0 9 3 5.00 0.81 0 -9 -4 41.09 2.40 0 -9 -4 38.71 2.23 0 9 4 29.51 2.09 0 9 4 29.13 1.73 0 -9 -5 2.76 0.81 0 -9 -5 2.41 0.70 0 9 5 0.92 0.53 0 9 5 1.25 0.46 0 -9 -6 0.46 0.47 0 -9 -6 0.33 0.37 0 9 6 -0.13 0.29 0 9 6 0.17 0.28 0 -9 -7 11.27 1.42 0 -9 -7 11.34 1.25 0 9 7 11.03 1.39 0 9 7 8.48 0.99 0 -9 -8 26.28 2.11 0 -9 -8 26.18 1.84 0 9 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13.27 1 2 2 1651.07 13.45 -1 -2 -3 8.14 0.62 1 2 3 5.72 0.50 1 2 3 6.05 0.56 1 2 3 4.59 0.53 -1 -2 -4 1.31 0.31 1 2 4 0.95 0.27 1 2 4 0.99 0.32 1 2 4 0.75 0.28 -1 -2 -5 505.53 4.79 1 2 5 378.31 4.24 1 2 5 377.16 4.88 1 2 5 328.13 4.62 -1 -2 -6 55.77 1.65 1 2 6 45.59 1.59 1 2 6 40.30 1.73 1 2 6 37.30 1.67 -1 -2 -7 8.11 0.69 1 2 7 7.02 0.71 1 2 7 5.96 0.76 1 2 7 6.22 0.76 -1 -2 -8 88.66 2.24 1 2 8 75.30 2.30 1 2 8 67.84 2.51 1 2 8 58.65 1.23 1 2 8 61.81 2.38 -1 -2 -9 387.60 4.84 1 2 9 368.08 5.36 1 2 9 302.93 5.57 1 2 9 268.05 3.00 1 2 9 300.06 5.49 -1 -2 -10 204.12 3.67 1 2 10 193.91 4.13 1 2 10 172.08 4.43 1 2 10 144.33 2.45 1 2 10 152.69 4.12 -1 -2 -11 4.09 0.63 1 2 11 3.28 0.70 1 2 11 2.73 0.77 1 2 11 2.05 0.41 1 2 11 2.54 0.71 -1 -2 -12 20.28 1.29 1 2 12 19.11 1.50 1 2 12 17.66 1.63 1 2 12 13.59 0.94 1 2 12 14.97 1.50 -1 -2 -13 62.15 2.28 1 2 13 60.57 2.72 1 2 13 50.30 2.78 1 2 13 47.90 1.79 1 2 13 53.92 2.85 -1 -2 -14 14.52 1.19 1 2 14 14.37 1.46 1 2 14 12.08 1.52 1 2 14 12.65 1.03 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25.29 1.64 2 -7 -3 26.58 1.84 -2 7 2 7.69 1.13 2 -7 -2 8.34 1.04 2 -7 -2 8.06 1.04 -2 7 1 40.40 2.43 -2 7 1 42.32 1.51 2 -7 -1 43.69 2.24 2 -7 -1 46.46 2.24 2 -7 -1 46.37 2.68 -2 7 0 0.52 0.48 -2 7 0 0.52 0.31 2 -7 0 0.64 0.45 2 -7 0 0.44 0.35 2 -7 0 0.38 0.46 -2 7 -1 20.79 1.83 -2 7 -1 22.17 1.36 2 -7 1 24.04 1.79 2 -7 1 24.17 1.50 2 -7 1 26.98 2.10 -2 7 -2 10.42 1.39 -2 7 -2 11.72 1.10 2 -7 2 11.69 1.35 2 -7 2 12.56 1.06 2 -7 2 14.47 1.60 -2 7 -3 67.97 3.35 -2 7 -3 67.40 2.65 2 -7 3 74.51 3.27 2 -7 3 86.05 2.44 2 -7 3 83.95 3.65 -2 7 -4 10.24 1.43 -2 7 -4 9.80 1.18 2 -7 4 11.40 1.44 2 -7 4 13.44 1.62 -2 7 -5 31.53 2.42 -2 7 -5 30.18 2.02 2 -7 5 32.52 2.34 2 -7 5 40.15 2.63 -2 7 -6 3.02 0.98 -2 7 -6 5.80 1.04 2 -7 6 5.12 1.15 2 -7 6 7.64 1.34 -2 7 -7 21.03 2.10 -2 7 -7 21.00 1.88 2 -7 7 24.54 2.20 2 -7 7 26.48 2.23 -2 7 -8 27.92 2.47 -2 7 -8 28.89 2.27 2 -7 8 32.62 2.61 2 -7 8 33.85 2.55 -2 7 -9 0.38 0.53 -2 7 -9 0.97 0.62 2 -7 9 0.99 0.78 2 -7 9 0.39 0.57 -2 7 -10 19.43 2.22 -2 7 -10 18.76 2.02 2 -7 10 22.67 2.39 2 -7 10 25.22 2.30 -2 7 -11 78.24 4.34 -2 7 -11 70.65 3.91 2 -7 11 85.96 4.52 2 -7 11 87.96 4.20 -2 7 -12 5.64 1.54 -2 7 -12 7.66 1.58 2 -7 12 8.19 1.71 2 -7 12 5.09 1.38 -2 6 17 28.16 2.81 2 -6 -17 23.82 2.46 -2 6 16 23.74 3.00 -2 6 16 24.66 2.55 2 -6 -16 23.51 2.38 -2 6 15 25.01 2.03 -2 6 15 23.14 2.42 2 -6 -15 21.95 2.25 -2 6 14 1.63 0.65 -2 6 14 2.01 0.93 2 -6 -14 1.58 0.87 2 -6 -14 1.32 0.74 -2 6 13 10.49 1.32 -2 6 13 9.67 1.55 2 -6 -13 9.89 1.15 2 -6 -13 8.67 1.42 -2 6 12 10.58 1.29 -2 6 12 10.30 1.54 2 -6 -12 9.30 1.09 2 -6 -12 8.04 1.36 -2 6 11 0.00 0.30 -2 6 11 0.07 0.41 2 -6 -11 0.25 0.32 2 -6 -11 0.23 0.42 -2 6 10 8.12 1.10 -2 6 10 9.03 1.35 2 -6 -10 7.80 0.97 2 -6 -10 8.20 1.32 -2 6 9 2.15 0.70 -2 6 9 2.09 0.82 2 -6 -9 1.35 0.53 2 -6 -9 0.98 0.65 -2 6 8 301.88 5.99 -2 6 8 304.88 6.85 2 -6 -8 264.76 4.99 2 -6 -8 278.94 6.62 -2 6 7 117.34 3.73 -2 6 7 122.29 4.23 2 -6 -7 109.63 3.19 2 -6 -7 112.06 4.14 -2 6 6 17.20 1.47 -2 6 6 17.31 1.59 2 -6 -6 16.28 1.27 2 -6 -6 16.65 1.64 -2 6 5 0.98 0.48 -2 6 5 1.05 0.56 2 -6 -5 1.07 0.45 2 -6 -5 1.42 0.66 -2 6 4 13.35 1.31 -2 6 4 12.69 1.30 2 -6 -4 12.42 1.14 2 -6 -4 14.18 1.47 -2 6 3 2.06 0.63 -2 6 3 3.20 0.72 2 -6 -3 2.69 0.63 2 -6 -3 2.23 0.72 -2 6 2 6.43 0.98 -2 6 2 6.23 0.89 2 -6 -2 7.04 0.92 2 -6 -2 6.77 1.07 -2 6 1 121.38 3.88 -2 6 1 121.24 2.32 2 -6 -1 123.91 3.62 2 -6 -1 123.91 3.44 2 -6 -1 128.35 4.16 -2 6 0 4.26 0.87 -2 6 0 5.99 0.65 2 -6 0 4.87 0.85 2 -6 0 4.69 0.74 2 -6 0 4.95 0.95 -2 6 -1 94.18 3.55 -2 6 -1 98.92 2.62 2 -6 1 97.52 3.39 2 -6 1 101.02 2.82 2 -6 1 107.75 3.82 -2 6 -2 100.40 3.73 -2 6 -2 104.36 2.92 2 -6 2 107.89 3.68 2 -6 2 114.64 2.82 2 -6 2 121.03 4.07 -2 6 -3 180.75 5.11 -2 6 -3 188.18 4.18 2 -6 3 192.12 5.03 2 -6 3 215.09 3.57 2 -6 3 221.20 5.52 -2 6 -4 201.80 5.53 -2 6 -4 201.63 4.60 2 -6 4 221.19 5.56 2 -6 4 254.69 5.97 -2 6 -5 20.75 1.89 -2 6 -5 20.35 1.61 2 -6 5 24.29 1.98 2 -6 5 27.85 2.06 -2 6 -6 0.08 0.39 -2 6 -6 0.51 0.43 2 -6 6 1.08 0.62 2 -6 6 0.61 0.55 -2 6 -7 77.19 3.73 -2 6 -7 71.81 3.23 2 -6 7 82.34 3.77 2 -6 7 98.41 3.88 -2 6 -8 12.75 1.67 -2 6 -8 11.63 1.47 2 -6 8 14.12 1.72 2 -6 8 15.92 1.70 -2 6 -9 1.26 0.72 -2 6 -9 1.79 0.79 2 -6 9 1.60 0.80 2 -6 9 1.47 0.73 -2 6 -10 2.62 0.99 -2 6 -10 1.64 0.79 2 -6 10 1.65 0.83 2 -6 10 1.98 0.86 -2 6 -11 7.52 1.52 -2 6 -11 6.43 1.35 2 -6 11 8.05 1.56 2 -6 11 8.43 1.43 -2 6 -12 0.34 0.62 -2 6 -12 0.42 0.61 2 -6 12 0.89 0.77 2 -6 12 0.90 0.80 -2 6 -13 15.36 2.13 -2 6 -13 13.08 1.93 2 -6 13 15.66 2.16 2 -6 13 14.32 1.85 -2 5 17 14.54 2.05 2 -5 -17 11.53 1.80 -2 5 16 14.77 1.97 2 -5 -16 11.02 1.37 2 -5 -16 14.18 1.88 -2 5 15 7.36 1.12 -2 5 15 7.50 1.46 2 -5 -15 5.75 1.01 2 -5 -15 7.74 1.41 -2 5 14 13.50 1.42 -2 5 14 12.76 1.73 2 -5 -14 12.25 1.36 2 -5 -14 10.23 1.52 -2 5 13 10.53 1.24 -2 5 13 10.66 1.56 2 -5 -13 9.55 1.19 2 -5 -13 8.97 1.41 -2 5 12 5.57 0.94 -2 5 12 4.63 1.09 2 -5 -12 4.15 0.82 2 -5 -12 4.09 1.02 -2 5 11 6.72 0.97 -2 5 11 6.51 1.18 2 -5 -11 5.63 0.90 2 -5 -11 5.43 1.10 -2 5 10 2.59 0.69 -2 5 10 2.50 0.82 2 -5 -10 2.40 0.67 2 -5 -10 2.60 0.84 -2 5 9 757.25 8.90 -2 5 9 765.25 10.85 2 -5 -9 661.79 8.13 2 -5 -9 693.04 10.28 -2 5 8 135.39 3.73 -2 5 8 136.25 4.46 2 -5 -8 116.21 3.36 2 -5 -8 125.06 4.30 -2 5 7 35.70 1.92 -2 5 7 34.21 2.20 2 -5 -7 30.90 1.74 2 -5 -7 35.36 2.27 -2 5 6 2.73 0.64 -2 5 6 3.05 0.75 2 -5 -6 2.65 0.60 2 -5 -6 2.42 0.73 -2 5 5 13.48 1.20 -2 5 5 12.96 1.31 2 -5 -5 10.98 1.06 2 -5 -5 10.85 1.27 -2 5 4 1.11 0.46 -2 5 4 1.34 0.55 2 -5 -4 0.58 0.37 2 -5 -4 0.75 0.46 -2 5 3 47.71 2.21 -2 5 3 47.69 2.23 2 -5 -3 44.83 2.07 2 -5 -3 46.94 2.44 -2 5 2 5.55 0.84 -2 5 2 6.20 0.84 2 -5 -2 6.32 0.86 2 -5 -2 5.42 0.92 -2 5 1 36.59 2.00 -2 5 1 34.29 1.75 2 -5 -1 34.87 1.90 2 -5 -1 35.15 2.09 -2 5 0 101.86 3.37 -2 5 0 107.87 2.92 -2 5 0 101.49 2.26 2 -5 0 99.91 3.24 2 -5 0 111.74 3.65 -2 5 -1 4.68 0.84 -2 5 -1 3.98 0.58 2 -5 1 3.44 0.73 2 -5 1 5.77 0.93 -2 5 -2 14.74 1.41 2 -5 2 15.36 1.39 2 -5 2 13.71 0.96 2 -5 2 14.52 1.39 -2 5 -3 42.79 2.37 2 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10.19 1.62 2 -4 -15 8.86 1.26 2 -4 -15 10.43 1.56 -2 4 14 0.86 0.48 -2 4 14 0.71 0.65 2 -4 -14 0.22 0.39 2 -4 -14 0.50 0.52 -2 4 13 7.38 1.00 -2 4 13 7.16 1.29 2 -4 -13 6.14 1.01 2 -4 -13 6.52 1.22 -2 4 12 6.56 0.93 -2 4 12 4.89 1.08 2 -4 -12 5.67 0.93 2 -4 -12 4.48 1.04 -2 4 11 0.07 0.28 -2 4 11 -0.15 0.33 2 -4 -11 0.02 0.26 2 -4 -11 0.09 0.38 -2 4 10 15.42 1.25 -2 4 10 14.77 1.60 2 -4 -10 12.97 1.26 2 -4 -10 13.27 1.54 -2 4 9 152.26 3.70 -2 4 9 144.37 4.61 2 -4 -9 129.51 3.69 2 -4 -9 133.38 4.41 -2 4 8 3.45 0.66 -2 4 8 3.51 0.83 2 -4 -8 3.38 0.69 2 -4 -8 3.52 0.84 -2 4 7 41.41 1.88 -2 4 7 43.52 2.40 2 -4 -7 35.80 1.88 2 -4 -7 36.40 2.22 -2 4 6 1.78 0.51 -2 4 6 1.87 0.65 2 -4 -6 1.53 0.52 2 -4 -6 1.96 0.68 -2 4 5 7.81 0.85 -2 4 5 7.05 0.96 2 -4 -5 6.60 0.85 2 -4 -5 6.94 1.00 -2 4 4 147.60 3.49 -2 4 4 144.15 3.86 2 -4 -4 136.72 3.52 2 -4 -4 134.77 3.95 -2 4 3 81.93 2.64 -2 4 3 75.25 2.69 2 -4 -3 70.90 2.55 2 -4 -3 73.79 2.89 -2 4 2 78.67 2.63 -2 4 2 76.82 2.61 2 -4 -2 69.02 2.54 2 -4 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-2 15 27.08 2.32 -2 -2 15 24.71 2.39 2 2 -15 27.68 2.50 2 2 -15 31.67 2.37 -2 -2 14 3.42 0.98 -2 -2 14 3.61 1.10 2 2 -14 3.45 1.05 2 2 -14 2.65 0.86 -2 -2 13 10.33 1.41 -2 -2 13 10.98 1.55 2 2 -13 10.97 1.54 2 2 -13 12.60 1.45 -2 -2 12 3.25 0.90 -2 -2 12 1.93 0.81 2 2 -12 1.90 0.81 2 2 -12 2.44 0.78 -2 -2 11 34.59 2.32 -2 -2 11 31.74 2.33 2 2 -11 36.14 2.46 2 2 -11 35.44 2.14 -2 -2 10 59.38 2.93 -2 -2 10 56.22 2.95 2 2 -10 59.43 3.00 2 2 -10 65.87 2.77 -2 -2 9 106.63 3.78 -2 -2 9 106.06 3.87 2 2 -9 104.14 3.82 2 2 -9 125.54 3.64 -2 -2 8 33.83 2.11 -2 -2 8 34.31 2.15 2 2 -8 37.47 2.24 2 2 -8 39.45 1.98 -2 -2 7 25.84 1.78 -2 -2 7 26.47 1.82 2 2 -7 25.05 1.78 2 2 -7 29.35 1.66 -2 -2 6 156.94 4.18 -2 -2 6 162.43 4.21 2 2 -6 153.02 4.15 2 2 -6 175.02 3.81 -2 -2 5 117.03 3.51 -2 -2 5 105.04 3.25 2 2 -5 107.13 3.36 2 2 -5 117.90 3.03 -2 -2 4 6.41 0.87 -2 -2 4 7.67 0.90 2 2 -4 7.12 0.90 2 2 -4 6.53 0.74 -2 -2 3 2.05 0.55 -2 -2 3 1.81 0.48 2 2 -3 1.42 0.50 2 2 -3 1.46 0.42 -2 -2 2 46.04 2.03 -2 -2 2 40.81 1.75 2 2 -2 40.54 1.91 2 2 -2 42.23 1.73 -2 -2 1 133.12 1.82 -2 -2 1 123.12 3.19 -2 -2 1 109.16 2.68 2 2 -1 106.91 3.02 2 2 -1 118.85 2.87 -2 -2 0 1.99 0.32 -2 -2 0 2.27 0.53 -2 -2 0 2.10 0.41 2 2 0 1.36 0.46 2 2 0 1.86 0.46 -2 -2 -1 45.67 1.87 -2 -2 -1 41.00 1.44 2 2 1 42.90 1.89 2 2 1 49.42 1.50 2 2 1 42.43 1.78 -2 -2 -2 205.86 3.83 2 2 2 172.38 3.74 2 2 2 201.65 3.32 2 2 2 164.86 2.63 2 2 2 178.42 3.71 -2 -2 -3 1625.33 12.72 2 2 3 1405.58 11.98 2 2 3 1510.90 10.76 2 2 3 1317.09 6.67 2 2 3 1359.34 10.52 -2 -2 -4 622.43 6.42 2 2 4 522.59 6.62 2 2 4 565.48 6.46 2 2 4 521.77 3.68 2 2 4 508.21 6.67 -2 -2 -5 83.17 2.34 2 2 5 67.03 2.44 2 2 5 71.53 2.47 2 2 5 66.52 2.53 -2 -2 -6 62.91 2.02 2 2 6 51.35 2.20 2 2 6 54.65 2.29 2 2 6 52.07 2.33 -2 -2 -7 36.94 1.55 2 2 7 29.06 1.72 2 2 7 29.05 1.78 2 2 7 29.27 1.84 -2 -2 -8 2.08 0.47 2 2 8 2.12 0.62 2 2 8 1.73 0.62 2 2 8 2.14 0.67 -2 -2 -9 5.03 0.65 2 2 9 5.11 0.88 2 2 9 4.57 0.90 2 2 9 3.86 0.86 -2 -2 -10 6.47 0.74 2 2 10 5.98 0.95 2 2 10 5.30 1.00 2 2 10 4.54 0.96 -2 -2 -11 8.85 0.86 2 2 11 8.57 1.15 2 2 11 6.96 1.17 -2 -2 -12 52.30 1.91 2 2 12 46.78 2.58 2 2 12 40.78 2.64 -2 -2 -13 6.65 1.25 2 2 13 8.94 1.29 2 2 13 5.99 1.21 -2 -2 -14 10.93 1.59 2 2 14 11.59 1.48 2 2 14 9.02 1.49 -2 -2 -15 -0.15 0.49 2 2 15 0.22 0.50 2 2 15 0.02 0.49 -2 -2 -16 25.58 2.49 2 2 16 27.82 2.36 2 2 16 23.03 2.39 -2 -2 -17 1.54 0.91 2 2 17 2.09 0.94 2 2 17 0.79 0.75 -2 -2 -18 1.41 0.91 2 2 18 2.22 0.94 2 2 18 1.63 0.94 -2 -3 17 0.44 0.62 -2 -3 17 0.64 0.80 2 3 -17 1.06 0.77 2 3 -17 0.36 0.66 -2 -3 16 27.58 2.44 -2 -3 16 28.48 2.70 2 3 -16 29.47 2.74 2 3 -16 31.86 2.60 -2 -3 15 0.18 0.58 -2 -3 15 -0.11 0.51 2 3 -15 0.19 0.54 2 3 -15 -0.23 0.39 -2 -3 14 15.20 1.74 -2 -3 14 14.42 1.86 2 3 -14 17.41 2.00 2 3 -14 17.60 1.83 -2 -3 13 12.22 1.55 -2 -3 13 13.74 1.75 2 3 -13 13.48 1.73 2 3 -13 14.12 1.61 -2 -3 12 0.21 0.47 -2 -3 12 0.16 0.44 2 3 -12 0.98 0.61 2 3 -12 0.26 0.43 -2 -3 11 60.25 3.05 -2 -3 11 57.78 3.17 2 3 -11 63.80 3.32 2 3 -11 67.32 3.09 -2 -3 10 277.82 6.32 -2 -3 10 274.12 6.57 2 3 -10 274.19 6.57 2 3 -10 295.54 6.16 -2 -3 9 294.18 6.33 -2 -3 9 305.90 6.68 2 3 -9 294.84 6.57 2 3 -9 317.25 6.16 -2 -3 8 223.89 5.38 -2 -3 8 232.06 5.60 2 3 -8 214.35 5.41 2 3 -8 243.91 5.21 -2 -3 7 77.90 3.10 -2 -3 7 78.86 3.16 2 3 -7 71.94 3.04 2 3 -7 88.39 3.05 -2 -3 6 21.81 1.64 -2 -3 6 20.86 1.59 2 3 -6 21.59 1.65 2 3 -6 23.37 1.54 -2 -3 5 35.68 2.01 -2 -3 5 34.46 1.93 2 3 -5 34.38 1.98 2 3 -5 35.50 1.83 -2 -3 4 22.52 1.58 -2 -3 4 19.89 1.41 2 3 -4 19.42 1.46 2 3 -4 21.19 1.39 -2 -3 3 34.36 1.87 -2 -3 3 34.47 1.75 2 3 -3 30.79 1.75 2 3 -3 33.87 1.71 -2 -3 2 7.66 0.91 -2 -3 2 8.85 0.87 2 3 -2 6.97 0.86 2 3 -2 7.75 0.85 -2 -3 1 212.97 4.38 -2 -3 1 189.97 3.61 2 3 -1 177.18 3.92 2 3 -1 213.12 2.46 2 3 -1 189.39 3.91 -2 -3 0 86.50 2.75 -2 -3 0 75.06 2.13 2 3 0 69.48 2.42 2 3 0 89.36 1.85 2 3 0 75.90 2.49 -2 -3 -1 4.35 0.68 -2 -3 -1 6.49 0.62 2 3 1 3.78 0.64 2 3 1 4.83 0.53 2 3 1 4.34 0.69 -2 -3 -2 45.48 1.94 -2 -3 -2 34.78 1.23 2 3 2 35.59 1.71 2 3 2 41.31 1.55 2 3 2 35.05 1.76 -2 -3 -3 28.27 1.53 -2 -3 -3 22.17 0.87 2 3 3 24.57 1.44 2 3 3 26.94 1.37 2 3 3 21.36 1.43 -2 -3 -4 368.03 5.34 2 3 4 297.96 4.91 2 3 4 328.85 4.97 2 3 4 284.95 5.18 -2 -3 -5 226.90 4.18 2 3 5 177.64 3.84 2 3 5 193.57 4.06 2 3 5 177.02 4.22 -2 -3 -6 75.77 2.43 2 3 6 58.77 2.28 2 3 6 60.93 2.42 2 3 6 55.52 2.46 -2 -3 -7 0.93 0.40 2 3 7 0.85 0.43 2 3 7 0.55 0.37 2 3 7 0.48 0.39 -2 -3 -8 114.21 3.00 2 3 8 94.48 3.04 2 3 8 90.71 3.26 2 3 8 83.07 3.22 -2 -3 -9 129.94 3.22 2 3 9 109.51 3.38 2 3 9 105.02 3.67 2 3 9 89.76 3.47 -2 -3 -10 93.51 2.76 2 3 10 77.17 2.95 2 3 10 70.67 3.17 2 3 10 67.58 3.13 -2 -3 -11 109.47 3.03 2 3 11 98.79 3.44 2 3 11 80.60 3.52 2 3 11 79.44 3.52 -2 -3 -12 12.47 1.11 2 3 12 10.86 1.28 2 3 12 9.17 1.38 2 3 12 11.48 1.50 -2 -3 -13 0.45 0.36 2 3 13 0.44 0.45 2 3 13 0.57 0.60 2 3 13 0.49 0.47 -2 -3 -14 15.23 1.34 2 3 14 14.10 1.55 2 3 14 10.28 1.56 2 3 14 10.30 1.56 2 3 15 3.86 1.01 2 3 15 3.91 1.14 -2 -3 -16 0.15 0.54 2 3 16 0.45 0.56 2 3 16 0.08 0.52 -2 -3 -17 1.89 0.97 2 3 17 3.25 1.05 2 3 17 2.27 1.03 -2 -3 -18 11.13 1.88 2 3 18 10.67 1.63 2 3 18 11.55 1.89 -2 -4 16 45.90 3.07 -2 -4 16 44.35 3.39 2 4 -16 46.77 3.52 2 4 -16 46.16 3.24 -2 -4 15 1.32 0.76 -2 -4 15 1.18 0.87 2 4 -15 0.07 0.56 2 4 -15 0.58 0.72 -2 -4 14 7.07 1.31 -2 -4 14 7.69 1.50 2 4 -14 8.75 1.45 -2 -4 13 3.54 0.99 -2 -4 13 1.77 0.84 2 4 -13 4.59 1.19 2 4 -13 3.49 1.04 -2 -4 12 0.26 0.46 -2 -4 12 0.12 0.52 2 4 -12 0.16 0.44 2 4 -12 -0.01 0.39 -2 -4 11 10.41 1.41 -2 -4 11 11.59 1.58 2 4 -11 9.28 1.43 2 4 -11 10.26 1.38 -2 -4 10 91.03 3.70 -2 -4 10 100.55 4.11 2 4 -10 101.87 4.15 2 4 -10 101.36 3.85 -2 -4 9 19.27 1.74 -2 -4 9 17.82 1.77 2 4 -9 20.04 1.85 2 4 -9 19.19 1.70 -2 -4 8 72.55 3.16 -2 -4 8 74.42 3.30 2 4 -8 74.33 3.31 2 4 -8 78.57 3.18 -2 -4 7 1.41 0.64 -2 -4 7 1.32 0.61 2 4 -7 1.46 0.64 2 4 -7 2.05 0.67 -2 -4 6 61.17 2.75 -2 -4 6 64.38 2.82 2 4 -6 60.71 2.78 2 4 -6 63.72 2.70 -2 -4 5 21.72 1.65 -2 -4 5 21.09 1.58 2 4 -5 22.18 1.65 2 4 -5 24.03 1.64 -2 -4 4 30.47 1.88 -2 -4 4 32.04 1.84 2 4 -4 32.13 1.90 2 4 -4 30.76 1.80 -2 -4 3 18.09 1.43 -2 -4 3 20.05 1.40 2 4 -3 14.83 1.28 2 4 -3 19.02 1.40 -2 -4 2 16.35 1.35 -2 -4 2 15.67 1.18 2 4 -2 12.96 1.16 2 4 -2 16.63 0.73 2 4 -2 15.85 1.27 -2 -4 1 403.35 6.32 -2 -4 1 386.21 5.35 2 4 -1 337.23 5.49 2 4 -1 408.87 3.89 2 4 -1 354.15 5.73 -2 -4 0 51.30 2.25 -2 -4 0 45.94 1.75 2 4 0 40.84 1.89 2 4 0 50.06 1.51 2 4 0 46.74 2.10 -2 -4 -1 27.57 1.64 -2 -4 -1 22.46 1.15 2 4 1 21.05 1.36 2 4 1 24.51 1.17 2 4 1 21.49 1.46 -2 -4 -2 543.55 7.05 -2 -4 -2 454.88 4.62 2 4 2 420.58 5.77 2 4 2 505.10 5.55 2 4 2 429.09 6.38 -2 -4 -3 411.89 6.10 -2 -4 -3 331.49 3.52 2 4 3 315.83 4.97 2 4 3 374.88 5.12 2 4 3 315.98 5.56 -2 -4 -4 218.58 4.43 -2 -4 -4 159.58 2.05 2 4 4 165.73 3.60 2 4 4 187.40 3.85 2 4 4 156.87 4.01 -2 -4 -5 86.04 2.80 2 4 5 62.94 2.26 2 4 5 72.46 2.55 2 4 5 64.10 2.65 -2 -4 -6 108.18 3.14 2 4 6 83.74 2.64 2 4 6 88.92 2.97 2 4 6 80.07 3.02 -2 -4 -7 35.17 1.83 2 4 7 27.20 1.56 2 4 7 26.50 1.74 2 4 7 22.89 1.71 -2 -4 -8 90.18 2.91 2 4 8 69.22 2.52 2 4 8 69.16 2.90 2 4 8 60.97 2.81 -2 -4 -9 0.16 0.29 2 4 9 0.34 0.35 2 4 9 0.18 0.39 2 4 9 0.25 0.36 -2 -4 -10 4.06 0.75 2 4 10 3.04 0.71 2 4 10 5.04 1.00 2 4 10 1.78 0.67 -2 -4 -11 37.09 1.96 2 4 11 31.57 1.90 2 4 11 33.22 2.32 2 4 11 24.67 2.02 -2 -4 -12 69.60 2.69 2 4 12 59.75 2.68 2 4 12 47.49 2.86 2 4 12 46.16 2.83 -2 -4 -13 33.81 1.94 2 4 13 31.96 2.07 2 4 13 27.08 2.30 2 4 13 23.09 2.13 -2 -4 -14 242.38 5.12 2 4 14 211.48 5.35 2 4 14 180.88 5.91 2 4 14 180.50 5.87 -2 -4 -15 24.71 1.74 2 4 15 22.48 1.90 2 4 15 20.18 2.18 2 4 15 20.09 2.13 2 4 16 1.62 0.78 2 4 16 0.80 0.61 2 4 16 1.00 0.75 2 4 17 0.85 0.65 2 4 17 0.99 0.80 2 4 17 -0.04 0.51 2 4 18 11.99 1.61 2 4 18 10.34 1.80 -2 -5 15 6.93 1.37 -2 -5 15 9.01 1.70 2 5 -15 9.01 1.71 2 5 -15 7.67 1.53 -2 -5 14 2.95 1.00 -2 -5 14 2.69 1.09 2 5 -14 3.83 1.23 2 5 -14 4.34 1.21 -2 -5 13 4.82 1.14 -2 -5 13 4.88 1.30 2 5 -13 6.57 1.36 2 5 -13 6.11 1.30 -2 -5 12 13.00 1.61 -2 -5 12 13.20 1.78 2 5 -12 13.49 1.77 2 5 -12 15.13 1.77 -2 -5 11 0.03 0.39 -2 -5 11 -0.09 0.43 2 5 -11 0.44 0.49 2 5 -11 -0.17 0.36 -2 -5 10 50.62 2.84 -2 -5 10 49.21 3.00 2 5 -10 48.21 2.96 2 5 -10 49.06 2.87 -2 -5 9 432.10 7.97 -2 -5 9 438.84 8.48 2 5 -9 420.87 8.31 2 5 -9 451.45 8.24 -2 -5 8 13.08 1.47 -2 -5 8 10.81 1.41 2 5 -8 9.43 1.34 2 5 -8 11.95 0.85 2 5 -8 11.75 1.41 -2 -5 7 0.05 0.35 -2 -5 7 -0.10 0.36 2 5 -7 0.28 0.39 2 5 -7 -0.08 0.18 2 5 -7 -0.13 0.29 -2 -5 6 43.90 2.43 -2 -5 6 44.93 2.47 2 5 -6 39.41 2.33 2 5 -6 44.08 1.28 2 5 -6 44.55 2.42 -2 -5 5 2.06 0.69 -2 -5 5 2.21 0.72 2 5 -5 2.27 0.70 2 5 -5 1.98 0.35 2 5 -5 2.08 0.67 -2 -5 4 3.83 0.80 -2 -5 4 3.37 0.75 2 5 -4 3.61 0.77 2 5 -4 4.08 0.44 2 5 -4 3.79 0.78 -2 -5 3 83.04 3.12 -2 -5 3 84.14 2.94 2 5 -3 74.02 2.83 2 5 -3 83.44 1.82 2 5 -3 76.95 2.95 -2 -5 2 19.48 1.53 -2 -5 2 20.44 1.42 2 5 -2 17.49 1.37 2 5 -2 19.49 0.94 2 5 -2 15.75 1.36 -2 -5 1 58.10 2.55 -2 -5 1 55.55 2.17 2 5 -1 47.35 2.13 2 5 -1 58.64 1.71 2 5 -1 54.88 2.44 -2 -5 0 356.75 6.17 -2 -5 0 327.87 4.91 2 5 0 276.16 4.92 2 5 0 330.86 4.26 2 5 0 296.05 5.57 -2 -5 -1 12.29 1.21 -2 -5 -1 10.48 0.88 2 5 1 9.27 0.94 2 5 1 11.01 0.87 2 5 1 9.65 1.07 -2 -5 -2 4.72 0.80 -2 -5 -2 4.80 0.59 2 5 2 3.37 0.62 2 5 2 3.64 0.59 2 5 2 4.26 0.77 -2 -5 -3 27.35 1.73 -2 -5 -3 24.46 1.09 2 5 3 20.05 1.30 2 5 3 25.69 1.44 2 5 3 20.93 1.56 -2 -5 -4 1.09 0.49 -2 -5 -4 1.22 0.30 2 5 4 1.24 0.44 2 5 4 1.36 0.48 2 5 4 1.02 0.49 -2 -5 -5 15.72 1.35 2 5 5 11.58 1.00 2 5 5 12.83 1.15 2 5 5 11.42 1.21 -2 -5 -6 255.50 5.15 2 5 6 186.83 3.81 2 5 6 200.45 4.56 2 5 6 172.03 4.56 -2 -5 -7 25.52 1.69 2 5 7 21.76 1.36 2 5 7 19.79 1.55 2 5 7 16.87 1.53 -2 -5 -8 9.97 1.14 2 5 8 7.36 0.86 2 5 8 7.35 1.05 2 5 8 5.78 1.01 -2 -5 -9 44.77 2.26 2 5 9 34.34 1.78 2 5 9 28.35 2.01 2 5 9 30.07 2.12 -2 -5 -10 79.20 3.01 2 5 10 66.22 2.52 2 5 10 63.57 3.07 2 5 10 58.42 3.00 -2 -5 -11 1.65 0.64 2 5 11 1.69 0.58 2 5 11 1.32 0.69 2 5 11 1.19 0.65 -2 -5 -12 108.03 3.61 2 5 12 91.82 3.17 2 5 12 83.94 3.81 2 5 12 75.37 3.62 -2 -5 -13 30.14 1.99 2 5 13 24.38 1.77 2 5 13 21.37 2.07 2 5 13 20.96 2.06 -2 -5 -14 79.92 3.21 2 5 14 69.74 2.98 2 5 14 59.79 3.50 2 5 14 54.94 3.31 -2 -5 -15 0.00 0.41 2 5 15 -0.09 0.35 2 5 15 -0.44 0.43 2 5 15 0.02 0.52 -2 -5 -16 3.57 0.95 2 5 16 5.14 1.07 2 5 16 4.41 1.31 2 5 16 2.51 1.05 2 5 17 5.04 1.43 2 5 17 6.29 1.44 2 5 18 4.84 1.48 2 5 18 4.20 1.31 -2 -6 15 10.95 1.64 -2 -6 15 11.97 1.99 2 6 -15 9.74 1.81 2 6 -15 10.76 1.85 -2 -6 14 1.11 0.78 -2 -6 14 0.21 0.62 2 6 -14 1.93 0.98 2 6 -14 1.41 0.91 -2 -6 13 23.77 2.18 -2 -6 13 24.12 2.46 2 6 -13 24.91 2.51 2 6 -13 24.95 2.42 -2 -6 12 0.80 0.66 -2 -6 12 1.30 0.79 2 6 -12 1.15 0.70 2 6 -12 0.95 0.68 -2 -6 11 1.38 0.74 -2 -6 11 1.60 0.82 2 6 -11 1.55 0.83 2 6 -11 2.73 0.98 -2 -6 10 15.35 1.68 -2 -6 10 15.02 1.81 2 6 -10 15.11 1.80 2 6 -10 17.40 1.87 -2 -6 9 25.26 2.07 -2 -6 9 23.06 2.12 2 6 -9 20.38 2.00 2 6 -9 24.96 2.13 -2 -6 8 24.08 1.99 -2 -6 8 26.49 2.18 2 6 -8 21.66 1.96 2 6 -8 23.80 2.03 -2 -6 7 143.79 4.57 -2 -6 7 154.60 4.89 2 6 -7 141.81 4.65 2 6 -7 147.76 2.84 2 6 -7 152.23 4.80 -2 -6 6 85.38 3.48 -2 -6 6 92.63 3.65 2 6 -6 81.43 3.42 2 6 -6 87.99 2.16 2 6 -6 93.54 3.68 -2 -6 5 0.05 0.35 -2 -6 5 0.00 0.32 2 6 -5 0.17 0.34 2 6 -5 -0.27 0.17 2 6 -5 -0.02 0.34 -2 -6 4 49.17 2.57 -2 -6 4 50.34 2.51 2 6 -4 43.81 2.34 2 6 -4 48.69 1.62 2 6 -4 44.80 2.47 -2 -6 3 156.82 4.47 -2 -6 3 159.69 4.24 2 6 -3 134.88 3.92 2 6 -3 151.47 2.88 2 6 -3 144.46 4.29 -2 -6 2 11.26 1.26 -2 -6 2 11.71 1.17 2 6 -2 10.63 1.13 2 6 -2 11.60 0.87 2 6 -2 9.42 1.17 -2 -6 1 80.23 3.14 -2 -6 1 83.67 2.82 2 6 -1 66.28 2.58 2 6 -1 76.68 2.20 2 6 -1 70.08 2.93 -2 -6 0 0.83 0.46 -2 -6 0 1.53 0.50 2 6 0 1.08 0.45 2 6 0 0.90 0.35 2 6 0 0.99 0.50 -2 -6 -1 91.08 3.30 -2 -6 -1 83.15 2.52 2 6 1 70.34 2.48 2 6 1 82.69 2.47 2 6 1 72.20 2.94 -2 -6 -2 35.97 2.09 -2 -6 -2 32.48 1.49 2 6 2 26.24 1.50 2 6 2 32.05 1.63 2 6 2 26.42 1.81 -2 -6 -3 0.66 0.48 -2 -6 -3 1.13 0.37 2 6 3 1.06 0.43 2 6 3 0.74 0.40 2 6 3 0.51 0.38 -2 -6 -4 0.50 0.40 -2 -6 -4 0.04 0.17 2 6 4 -0.04 0.20 2 6 4 0.05 0.23 2 6 4 0.24 0.33 -2 -6 -5 10.52 1.21 -2 -6 -5 8.77 0.62 2 6 5 7.72 0.83 2 6 5 8.77 1.03 2 6 5 7.93 1.10 -2 -6 -6 2.87 0.76 2 6 6 3.02 0.60 2 6 6 2.68 0.70 2 6 6 1.42 0.60 -2 -6 -7 21.18 1.67 2 6 7 14.48 1.09 2 6 7 14.05 1.38 2 6 7 14.10 1.45 -2 -6 -8 2.16 0.73 2 6 8 1.86 0.53 2 6 8 1.20 0.59 2 6 8 1.01 0.55 -2 -6 -9 0.33 0.45 2 6 9 -0.07 0.23 2 6 9 0.05 0.39 2 6 9 -0.24 0.27 -2 -6 -10 1.65 0.67 2 6 10 0.81 0.41 2 6 10 1.70 0.74 2 6 10 1.07 0.61 -2 -6 -11 6.83 1.09 2 6 11 6.23 0.86 2 6 11 5.05 1.09 2 6 11 5.30 1.13 -2 -6 -12 18.60 1.67 2 6 12 14.76 1.27 2 6 12 12.96 1.65 2 6 12 11.68 1.56 -2 -6 -13 54.31 2.80 2 6 13 45.65 2.22 2 6 13 40.48 2.83 2 6 13 37.68 2.70 -2 -6 -14 19.71 1.80 2 6 14 18.14 2.14 2 6 14 14.93 1.91 2 6 14 12.66 1.74 -2 -6 -15 158.65 4.87 2 6 15 121.88 5.16 2 6 15 106.35 4.73 -2 -6 -16 106.26 4.06 2 6 16 75.73 4.23 2 6 16 72.87 4.06 -2 -6 -17 3.97 1.09 2 6 17 3.39 1.26 2 6 17 2.12 1.00 2 6 18 28.00 2.88 2 6 18 25.78 2.66 -2 -7 14 1.12 0.79 -2 -7 14 1.12 0.91 2 7 -14 1.58 0.98 2 7 -14 0.62 0.76 -2 -7 13 25.14 2.29 -2 -7 13 25.33 2.61 2 7 -13 23.14 2.50 2 7 -13 27.31 2.63 -2 -7 12 0.66 0.63 -2 -7 12 0.66 0.74 2 7 -12 0.51 0.66 2 7 -12 0.10 0.56 -2 -7 11 1.19 0.73 -2 -7 11 0.95 0.73 2 7 -11 0.90 0.74 2 7 -11 1.54 0.82 -2 -7 10 40.02 2.68 -2 -7 10 43.61 3.06 2 7 -10 42.89 2.98 2 7 -10 42.61 2.96 -2 -7 9 0.74 0.60 -2 -7 9 1.68 0.85 2 7 -9 1.32 0.74 2 7 -9 0.87 0.63 -2 -7 8 96.77 3.96 -2 -7 8 103.04 4.31 2 7 -8 93.52 4.06 2 7 -8 101.25 4.25 -2 -7 7 0.35 0.51 -2 -7 7 0.51 0.56 2 7 -7 0.71 0.56 2 7 -7 0.42 0.33 2 7 -7 0.41 0.49 -2 -7 6 -0.16 0.35 -2 -7 6 0.48 0.50 2 7 -6 0.32 0.42 2 7 -6 0.16 0.28 2 7 -6 0.25 0.48 -2 -7 5 2.12 0.79 -2 -7 5 1.82 0.73 2 7 -5 1.69 0.67 2 7 -5 1.90 0.51 2 7 -5 2.19 0.77 -2 -7 4 9.53 1.26 -2 -7 4 12.29 1.40 2 7 -4 9.07 1.18 2 7 -4 10.24 0.91 2 7 -4 10.35 1.34 -2 -7 3 0.39 0.45 -2 -7 3 0.90 0.47 2 7 -3 0.29 0.41 2 7 -3 1.06 0.41 2 7 -3 0.62 0.47 -2 -7 2 7.09 1.09 -2 -7 2 7.90 1.06 2 7 -2 6.91 0.98 2 7 -2 7.74 0.82 2 7 -2 8.00 1.16 -2 -7 1 20.41 1.72 -2 -7 1 20.11 1.52 2 7 -1 16.14 1.36 2 7 -1 17.74 1.21 2 7 -1 15.96 1.55 -2 -7 0 111.48 3.87 -2 -7 0 110.71 3.29 2 7 0 87.21 2.92 2 7 0 96.99 2.82 2 7 0 86.48 3.41 -2 -7 -1 4.97 0.94 -2 -7 -1 5.43 0.80 2 7 1 3.87 0.70 2 7 1 4.42 0.71 2 7 1 4.55 0.90 -2 -7 -2 124.42 4.04 -2 -7 -2 118.14 3.07 2 7 2 89.53 2.75 2 7 2 104.66 3.11 2 7 2 92.07 3.49 -2 -7 -3 14.11 1.45 -2 -7 -3 12.87 1.00 2 7 3 10.55 0.98 2 7 3 12.09 1.15 2 7 3 9.65 1.21 -2 -7 -4 1.15 0.60 -2 -7 -4 0.65 0.31 2 7 4 0.40 0.31 2 7 4 0.62 0.39 2 7 4 0.62 0.46 -2 -7 -5 26.80 1.94 -2 -7 -5 23.07 1.13 2 7 5 19.30 1.23 2 7 5 21.51 1.61 2 7 5 19.56 1.70 -2 -7 -6 171.30 4.80 -2 -7 -6 147.21 2.49 2 7 6 126.95 2.99 2 7 6 139.18 4.13 2 7 6 118.71 4.09 -2 -7 -7 6.19 1.07 2 7 7 4.43 0.65 2 7 7 3.64 0.85 2 7 7 3.69 0.89 -2 -7 -8 3.97 0.94 2 7 8 1.74 0.51 2 7 8 1.83 0.71 2 7 8 1.43 0.65 -2 -7 -9 6.38 1.10 2 7 9 4.13 0.67 2 7 9 4.84 1.03 2 7 9 3.56 0.92 -2 -7 -10 72.87 3.29 2 7 10 65.21 2.24 2 7 10 55.81 3.04 2 7 10 50.60 2.92 -2 -7 -11 5.81 1.11 2 7 11 4.11 1.07 2 7 11 3.61 1.00 -2 -7 -12 2.26 0.85 2 7 12 0.86 0.62 2 7 12 1.48 0.79 -2 -7 -13 40.58 2.59 2 7 13 28.60 2.48 2 7 13 27.14 2.38 -2 -7 -14 29.14 2.26 2 7 14 23.69 2.35 2 7 14 17.75 2.03 -2 -7 -15 36.54 2.55 2 7 15 25.93 2.54 2 7 15 24.55 2.39 -2 -7 -16 6.89 1.31 2 7 16 4.35 1.36 2 7 16 2.85 1.06 -2 -7 -17 3.19 1.06 2 7 17 2.06 1.04 2 7 17 2.47 1.09 -2 -8 13 -0.21 0.53 -2 -8 13 0.69 0.79 2 8 -13 0.76 0.80 -2 -8 12 99.48 4.40 -2 -8 12 106.80 5.16 2 8 -12 91.56 4.74 2 8 -12 106.09 5.08 -2 -8 11 1.24 0.76 -2 -8 11 1.51 0.91 2 8 -11 0.99 0.77 2 8 -11 1.55 0.89 -2 -8 10 0.32 0.55 -2 -8 10 0.67 0.68 2 8 -10 0.83 0.64 2 8 -10 -0.21 0.49 -2 -8 9 20.96 2.02 -2 -8 9 23.23 2.31 2 8 -9 21.67 2.17 2 8 -9 21.77 2.22 -2 -8 8 0.19 0.47 -2 -8 8 0.43 0.61 2 8 -8 0.24 0.45 2 8 -8 0.39 0.58 -2 -8 7 -0.12 0.41 -2 -8 7 0.15 0.52 2 8 -7 -0.32 0.32 2 8 -7 0.05 0.40 2 8 -7 0.53 0.54 -2 -8 6 43.31 2.71 -2 -8 6 46.31 2.86 2 8 -6 36.03 2.45 2 8 -6 39.89 1.89 2 8 -6 38.80 2.70 -2 -8 5 42.31 2.65 -2 -8 5 43.11 2.67 2 8 -5 38.61 2.45 2 8 -5 41.95 1.93 2 8 -5 38.52 2.62 -2 -8 4 12.81 1.52 -2 -8 4 12.50 1.48 2 8 -4 9.76 1.28 2 8 -4 12.05 1.09 2 8 -4 11.61 1.50 -2 -8 3 5.44 1.07 -2 -8 3 6.07 1.08 2 8 -3 3.55 0.82 2 8 -3 5.07 0.77 2 8 -3 3.94 0.97 -2 -8 2 6.10 1.10 -2 -8 2 5.34 0.96 2 8 -2 4.97 0.90 2 8 -2 5.00 0.77 2 8 -2 3.27 0.88 -2 -8 1 9.36 1.31 -2 -8 1 10.30 1.21 2 8 -1 7.32 1.00 2 8 -1 8.70 0.99 2 8 -1 9.02 1.29 -2 -8 0 163.06 4.91 -2 -8 0 163.33 4.26 2 8 0 125.71 3.58 2 8 0 143.58 3.72 2 8 0 132.13 4.44 -2 -8 -1 138.45 4.51 -2 -8 -1 138.14 3.77 2 8 1 104.30 3.14 2 8 1 120.92 3.49 2 8 1 109.15 4.02 -2 -8 -2 96.85 3.79 -2 -8 -2 92.58 2.95 2 8 2 69.99 2.48 2 8 2 81.74 2.96 2 8 2 74.29 3.32 -2 -8 -3 18.88 1.76 -2 -8 -3 18.42 1.31 2 8 3 13.95 1.12 2 8 3 17.10 1.45 2 8 3 15.66 1.60 -2 -8 -4 4.58 1.01 -2 -8 -4 4.92 0.72 2 8 4 3.58 0.63 2 8 4 4.02 0.84 2 8 4 2.98 0.85 -2 -8 -5 53.14 2.85 -2 -8 -5 48.63 1.83 2 8 5 37.64 1.66 2 8 5 42.59 2.34 2 8 5 33.49 2.29 -2 -8 -6 44.22 2.63 -2 -8 -6 39.54 1.54 2 8 6 33.68 1.53 2 8 6 36.87 2.27 2 8 6 30.76 2.22 -2 -8 -7 2.38 0.87 -2 -8 -7 1.52 0.45 2 8 7 1.52 0.47 2 8 7 3.09 0.83 2 8 7 1.28 0.66 -2 -8 -8 19.58 1.85 2 8 8 17.00 1.70 2 8 8 12.64 1.53 -2 -8 -9 24.80 2.06 2 8 9 21.77 1.95 2 8 9 19.96 1.91 -2 -8 -10 0.51 0.52 2 8 10 0.61 0.54 2 8 10 0.02 0.42 -2 -8 -11 27.05 2.21 2 8 11 20.26 2.03 2 8 11 17.35 1.88 -2 -8 -12 1.91 0.84 2 8 12 1.00 0.75 2 8 12 1.25 0.77 -2 -8 -13 46.91 2.95 2 8 13 33.57 2.73 2 8 13 29.35 2.50 -2 -8 -14 55.19 3.23 2 8 14 43.16 3.16 2 8 14 36.67 2.84 -2 -8 -15 1.41 0.80 2 8 15 0.10 0.64 2 8 15 0.42 0.58 -2 -8 -16 3.85 1.21 2 8 16 3.27 1.29 2 8 16 2.42 1.06 -2 -9 11 6.00 1.33 -2 -9 11 7.17 1.65 2 9 -11 5.52 1.43 2 9 -11 5.35 1.45 -2 -9 10 2.29 0.94 -2 -9 10 0.57 0.77 2 9 -10 1.50 0.91 2 9 -10 0.73 0.72 -2 -9 9 -0.13 0.46 -2 -9 9 -0.01 0.47 2 9 -9 0.20 0.49 2 9 -9 -0.20 0.48 -2 -9 8 1.46 0.82 -2 -9 8 0.01 0.52 2 9 -8 -0.09 0.43 2 9 -8 0.17 0.53 -2 -9 7 56.66 3.24 -2 -9 7 60.32 3.52 2 9 -7 52.85 3.17 2 9 -7 54.34 3.39 -2 -9 6 0.25 0.46 -2 -9 6 0.48 0.58 2 9 -6 0.28 0.54 2 9 -6 0.35 0.38 2 9 -6 -0.02 0.40 -2 -9 5 8.74 1.39 -2 -9 5 11.23 1.56 2 9 -5 8.00 1.28 2 9 -5 7.06 0.97 2 9 -5 7.48 1.36 -2 -9 4 36.33 2.55 -2 -9 4 34.45 2.46 2 9 -4 26.92 2.05 2 9 -4 33.82 1.91 2 9 -4 33.60 2.56 -2 -9 3 25.83 2.15 -2 -9 3 24.59 2.03 2 9 -3 21.02 1.76 2 9 -3 20.65 1.52 2 9 -3 20.83 2.01 -2 -9 2 3.40 0.95 -2 -9 2 3.67 0.92 2 9 -2 2.19 0.72 2 9 -2 2.75 0.70 2 9 -2 2.68 0.91 -2 -9 1 3.27 0.94 -2 -9 1 4.22 0.94 2 9 -1 3.74 0.82 2 9 -1 3.14 0.75 2 9 -1 2.72 0.87 -2 -9 0 9.05 1.35 -2 -9 0 9.79 1.21 2 9 0 7.25 0.99 2 9 0 7.56 1.03 2 9 0 6.95 1.21 -2 -9 -1 2.24 0.82 -2 -9 -1 2.30 0.75 2 9 1 1.23 0.55 2 9 1 2.24 0.70 2 9 1 0.89 0.60 -2 -9 -2 53.33 2.99 -2 -9 -2 56.13 2.50 2 9 2 41.14 1.96 2 9 2 47.66 2.44 2 9 2 42.46 2.68 -2 -9 -3 184.75 5.49 -2 -9 -3 174.21 4.18 2 9 3 130.34 3.27 2 9 3 149.44 4.35 2 9 3 136.29 4.70 -2 -9 -4 57.21 3.12 -2 -9 -4 51.90 2.22 2 9 4 38.62 1.74 2 9 4 44.49 2.47 2 9 4 38.67 2.54 -2 -9 -5 0.90 0.63 -2 -9 -5 0.40 0.37 2 9 5 0.02 0.29 2 9 5 0.07 0.41 2 9 5 0.14 0.41 -2 -9 -6 108.91 4.30 -2 -9 -6 97.94 2.71 2 9 6 81.40 3.49 2 9 6 68.58 3.40 -2 -9 -7 11.24 1.52 2 9 7 7.59 1.25 2 9 7 6.96 1.25 -2 -9 -8 3.00 1.00 2 9 8 2.82 0.90 2 9 8 1.86 0.80 -2 -9 -9 44.46 2.87 2 9 9 32.97 2.46 2 9 9 27.51 2.28 -2 -9 -10 8.50 1.43 2 9 10 5.60 1.18 2 9 10 4.79 1.14 -2 -9 -11 9.16 1.49 2 9 11 5.05 1.23 2 9 11 6.46 1.30 -2 -9 -12 12.19 1.69 2 9 12 10.66 1.65 2 9 12 8.72 1.49 -2 -9 -13 21.39 2.17 2 9 13 13.79 1.92 2 9 13 11.87 1.76 -2 -9 -14 36.31 2.81 2 9 14 29.47 2.72 2 9 14 25.32 2.48 -2 -9 -15 77.82 4.07 2 9 15 58.26 3.87 2 9 15 52.39 3.52 -2 -9 -16 104.70 4.74 2 9 16 77.29 4.53 2 9 16 67.83 4.06 -2 -10 10 1.26 0.83 -2 -10 10 1.84 1.02 2 10 -10 1.26 0.83 2 10 -10 0.76 0.80 -2 -10 9 1.07 0.73 -2 -10 9 0.31 0.70 2 10 -9 0.24 0.66 2 10 -9 0.13 0.63 -2 -10 8 16.12 1.95 -2 -10 8 20.46 2.31 2 10 -8 17.91 2.06 2 10 -8 19.12 2.25 -2 -10 7 1.38 0.80 -2 -10 7 1.30 0.87 2 10 -7 0.70 0.65 2 10 -7 1.49 0.87 -2 -10 6 34.94 2.69 -2 -10 6 37.85 2.90 2 10 -6 31.87 2.48 2 10 -6 31.10 2.69 -2 -10 5 16.53 1.88 -2 -10 5 16.52 1.95 2 10 -5 11.03 1.50 2 10 -5 14.27 1.42 2 10 -5 15.03 1.90 -2 -10 4 1.89 0.85 -2 -10 4 1.87 0.88 2 10 -4 1.90 0.74 2 10 -4 2.74 0.79 2 10 -4 0.94 0.66 -2 -10 3 0.04 0.42 -2 -10 3 -0.12 0.39 2 10 -3 0.06 0.37 2 10 -3 0.10 0.38 2 10 -3 -0.02 0.46 -2 -10 2 41.94 2.82 -2 -10 2 47.16 2.82 2 10 -2 38.15 2.30 2 10 -2 38.55 2.24 2 10 -2 38.47 2.77 -2 -10 1 23.30 2.14 -2 -10 1 26.35 2.07 2 10 -1 18.54 1.59 2 10 -1 19.53 1.64 2 10 -1 20.82 2.05 -2 -10 0 10.20 1.50 -2 -10 0 9.69 1.30 2 10 0 6.51 0.99 2 10 0 8.08 1.14 2 10 0 6.28 1.23 -2 -10 -1 40.23 2.75 -2 -10 -1 41.72 2.41 2 10 1 28.18 1.75 2 10 1 33.03 2.17 2 10 1 31.00 2.44 -2 -10 -2 109.56 4.46 -2 -10 -2 105.86 3.66 2 10 2 77.78 2.71 2 10 2 93.37 3.61 2 10 2 76.50 3.73 -2 -10 -3 254.53 6.78 -2 -10 -3 245.56 5.34 2 10 3 208.50 5.46 2 10 3 186.76 5.75 -2 -10 -4 50.05 3.08 -2 -10 -4 47.43 2.31 2 10 4 43.40 2.59 2 10 4 36.58 2.61 -2 -10 -5 31.88 2.52 -2 -10 -5 30.64 1.81 2 10 5 25.63 2.07 2 10 5 23.97 2.15 -2 -10 -6 3.60 1.09 -2 -10 -6 3.36 0.73 2 10 6 3.37 0.95 2 10 6 2.21 0.83 -2 -10 -7 22.29 2.16 2 10 7 16.19 1.76 2 10 7 14.29 1.74 -2 -10 -8 3.46 1.09 2 10 8 2.23 0.85 2 10 8 2.68 0.94 -2 -10 -9 4.54 1.18 2 10 9 4.69 1.15 2 10 9 3.24 1.02 -2 -10 -10 16.12 1.95 2 10 10 13.64 1.78 2 10 10 11.92 1.66 -2 -10 -11 38.40 2.91 2 10 11 32.03 2.66 2 10 11 24.91 2.35 -2 -10 -12 94.68 4.50 2 10 12 66.65 3.90 2 10 12 61.94 3.65 -2 -10 -13 14.47 1.95 2 10 13 13.48 1.95 2 10 13 10.28 1.68 -2 -10 -14 2.34 1.08 2 10 14 1.24 0.89 2 10 14 0.59 0.69 -2 -10 -15 21.28 2.39 2 10 15 12.98 2.08 2 10 15 14.01 2.00 -2 -11 8 0.08 0.59 -2 -11 8 0.37 0.70 2 11 -8 0.28 0.58 2 11 -8 0.13 0.63 -2 -11 7 4.39 1.26 -2 -11 7 3.19 1.19 2 11 -7 3.85 1.19 2 11 -7 3.33 1.28 -2 -11 6 2.23 1.01 -2 -11 6 3.10 1.15 2 11 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4.37 0.98 2 11 6 3.53 1.01 2 11 6 2.69 0.99 -2 -11 -7 1.63 0.87 2 11 7 0.69 0.62 2 11 7 0.52 0.60 -2 -11 -8 1.03 0.77 2 11 8 0.89 0.65 2 11 8 0.67 0.56 -2 -11 -9 20.92 2.27 2 11 9 16.39 1.99 2 11 9 11.52 1.72 -2 -11 -10 5.11 1.37 2 11 10 2.91 1.09 2 11 10 3.06 1.11 -2 -11 -11 45.51 3.33 2 11 11 34.76 2.92 2 11 11 27.60 2.53 -2 -11 -12 21.22 2.41 2 11 12 15.12 2.10 2 11 12 13.02 1.88 -2 -11 -13 0.29 0.77 2 11 13 0.84 0.80 2 11 13 0.74 0.82 -2 -12 5 12.99 1.91 -2 -12 5 15.69 2.12 2 12 -5 12.47 1.70 2 12 -5 14.14 2.10 -2 -12 4 1.73 0.91 -2 -12 4 3.75 1.30 2 12 -4 2.42 0.89 2 12 -4 3.30 0.98 2 12 -4 1.48 0.92 -2 -12 3 6.24 1.41 -2 -12 3 4.00 1.29 2 12 -3 4.25 1.04 2 12 -3 5.22 1.13 2 12 -3 3.47 1.25 -2 -12 2 4.47 1.29 -2 -12 2 4.59 1.26 2 12 -2 3.36 1.00 2 12 -2 3.82 1.24 -2 -12 1 12.23 1.82 -2 -12 1 12.44 1.72 2 12 -1 10.80 1.46 2 12 -1 8.08 1.56 -2 -12 0 4.50 1.29 -2 -12 0 3.32 1.08 2 12 0 3.94 1.07 2 12 0 3.11 1.11 -2 -12 -1 1.78 0.89 2 12 1 1.86 0.84 2 12 1 1.22 0.85 -2 -12 -2 204.86 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13.20 1.25 3 3 7 12.11 1.44 3 3 7 12.31 1.49 -3 -3 -8 1.94 0.71 -3 -3 -8 1.35 0.55 3 3 8 1.30 0.63 3 3 8 1.28 0.65 -3 -3 -9 1.37 0.66 -3 -3 -9 1.06 0.48 3 3 9 1.14 0.64 3 3 9 1.18 0.69 -3 -3 -10 8.91 1.35 -3 -3 -10 8.99 1.02 3 3 10 9.39 1.35 3 3 10 7.13 1.28 -3 -3 -11 18.08 1.91 -3 -3 -11 20.79 1.73 3 3 11 20.92 1.94 3 3 11 17.69 1.97 -3 -3 -12 11.05 1.63 3 3 12 10.33 1.49 3 3 12 7.64 1.45 -3 -3 -13 2.62 1.02 3 3 13 3.61 1.08 3 3 13 2.48 1.02 -3 -3 -14 9.51 1.69 3 3 14 11.96 1.67 3 3 14 10.19 1.77 -3 -3 -15 59.55 3.85 3 3 15 57.51 3.46 3 3 15 54.99 3.73 -3 -3 -16 25.43 2.71 3 3 16 23.74 2.40 3 3 16 22.78 2.59 -3 -4 14 53.73 3.63 -3 -4 14 54.65 3.82 3 4 -14 57.88 3.93 3 4 -14 54.54 3.33 -3 -4 13 0.38 0.63 -3 -4 13 0.54 0.57 3 4 -13 -0.24 0.55 3 4 -13 0.44 0.57 -3 -4 12 0.46 0.63 -3 -4 12 0.56 0.67 3 4 -12 0.09 0.57 3 4 -12 0.35 0.54 -3 -4 11 7.89 1.49 -3 -4 11 7.63 1.48 3 4 -11 8.44 1.53 3 4 -11 8.76 1.38 -3 -4 10 16.37 1.93 -3 -4 10 12.82 1.74 3 4 -10 16.65 1.97 3 4 -10 15.47 1.67 -3 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0.60 -4 -8 -9 0.73 0.72 4 8 9 0.56 0.66 4 8 9 0.87 0.80 -4 -9 2 -0.13 0.61 -4 -9 2 0.93 0.65 4 9 -2 0.49 0.67 4 9 -2 0.42 0.66 -4 -9 1 -0.17 0.58 4 9 -1 0.22 0.59 4 9 -1 0.15 0.67 -4 -9 0 3.03 1.23 4 9 0 3.11 1.10 4 9 0 3.28 1.21 -4 -9 -1 -0.20 0.51 4 9 1 0.02 0.50 4 9 1 -0.05 0.59 -4 -9 -2 3.08 1.23 4 9 2 2.69 0.97 4 9 2 2.76 1.15 -4 -9 -3 13.27 2.00 4 9 3 11.32 1.67 4 9 3 11.05 1.91 -4 -9 -4 24.82 2.58 4 9 4 19.68 2.07 4 9 4 18.06 2.31 -4 -9 -5 104.91 5.02 4 9 5 82.89 3.90 4 9 5 86.50 4.71 -4 -9 -6 22.21 2.46 4 9 6 17.66 2.32 -4 -9 -7 0.32 0.66 4 9 7 0.11 0.64 4 9 7 -0.12 0.58 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 59044 _shelx_res_file ; TITL 021VMJ24.res in P-1 021VMJ24.res created by SHELXL-2019/3 at 12:01:41 on 28-Feb-2024 CELL 0.71073 3.8047 11.0101 15.4968 79.5350 89.2230 82.8800 ZERR 2.00 0.0001 0.0004 0.0006 0.0010 0.0010 0.0010 LATT 1 SFAC C H N O F UNIT 28 24 4 4 4 LIST 4 TEMP -173.000 SIZE 0.210 0.281 0.349 ACTA DFIX 0.85 0.01 O1 H1 L.S. 10 FMAP 2 PLAN 10 HTAB EQIV $1 x+1, y, z HTAB O1 N1_$1 EQIV $2 x-1, y, z HTAB C2 O2_$2 EQIV $3 -x+1, -y+1, -z+1 HTAB C3 O2_$3 EQIV $4 -x+2, -y+1, -z+1 HTAB C9 O2_$4 EQIV $5 -x+2, -y, -z+1 HTAB C13 O1_$5 EQIV $6 x-1, y, z+1 HTAB C15 F2_$6 BOND $H CONF WGHT 0.058600 0.091200 FVAR 0.64428 F1 5 1.287246 0.354016 0.051854 11.00000 0.04362 0.01917 = 0.01753 -0.00076 0.00471 -0.00913 F2 5 1.316209 0.140575 -0.009331 11.00000 0.04175 0.02656 = 0.01447 -0.00799 0.00637 -0.00541 O1 4 1.036676 0.265349 0.770185 11.00000 0.03616 0.01463 = 0.01652 -0.00314 0.00396 0.00009 H1 2 1.149108 0.262464 0.722058 11.00000 -1.50000 O2 4 0.913893 0.469920 0.719959 11.00000 0.03861 0.01611 = 0.01782 -0.00082 0.00135 0.00055 N1 3 0.344317 0.250722 0.615060 11.00000 0.01975 0.01698 = 0.01547 -0.00499 -0.00114 -0.00033 N2 3 0.863307 0.150585 0.330598 11.00000 0.01944 0.01462 = 0.01435 -0.00408 -0.00025 -0.00153 C2 1 0.290782 0.352582 0.552490 11.00000 0.02122 0.01392 = 0.02003 -0.00627 -0.00027 0.00259 AFIX 43 H2 2 0.170570 0.426595 0.567636 11.00000 -1.20000 AFIX 0 C3 1 0.402374 0.355314 0.466563 11.00000 0.02194 0.01297 = 0.01763 -0.00183 -0.00143 0.00157 AFIX 43 H3 2 0.356878 0.429362 0.423999 11.00000 -1.20000 AFIX 0 C4 1 0.581958 0.247820 0.443797 11.00000 0.01459 0.01461 = 0.01503 -0.00428 -0.00223 -0.00102 C5 1 0.639191 0.141677 0.508780 11.00000 0.01845 0.01175 = 0.01911 -0.00448 -0.00074 0.00187 AFIX 43 H5 2 0.760800 0.066575 0.495690 11.00000 -1.20000 AFIX 0 C6 1 0.516374 0.147173 0.592697 11.00000 0.02212 0.01519 = 0.01714 -0.00122 -0.00176 0.00095 AFIX 43 H6 2 0.555773 0.074234 0.636467 11.00000 -1.20000 AFIX 0 C7 1 0.701682 0.248450 0.352831 11.00000 0.01824 0.01475 = 0.01521 -0.00245 -0.00210 -0.00038 AFIX 43 H7 2 0.657799 0.322648 0.310346 11.00000 -1.20000 AFIX 0 C8 1 0.976326 0.154140 0.242650 11.00000 0.01557 0.01496 = 0.01412 -0.00391 -0.00203 0.00120 C9 1 1.073472 0.261353 0.188809 11.00000 0.02014 0.01392 = 0.01573 -0.00491 -0.00194 0.00010 AFIX 43 H9 2 1.062252 0.337691 0.209691 11.00000 -1.20000 AFIX 0 C10 1 1.185539 0.253221 0.104911 11.00000 0.02177 0.01591 = 0.01574 -0.00029 -0.00138 -0.00335 C11 1 1.202263 0.142964 0.073504 11.00000 0.02250 0.02235 = 0.01200 -0.00582 0.00019 -0.00082 C12 1 1.108877 0.036753 0.125707 11.00000 0.02431 0.01583 = 0.01966 -0.00790 -0.00071 -0.00111 AFIX 43 H12 2 1.118976 -0.038866 0.103919 11.00000 -1.20000 AFIX 0 C13 1 0.999716 0.042749 0.210849 11.00000 0.02076 0.01383 = 0.01798 -0.00340 -0.00034 -0.00198 AFIX 43 H13 2 0.939981 -0.030190 0.248056 11.00000 -1.20000 AFIX 0 C14 1 0.893493 0.379146 0.776879 11.00000 0.02039 0.01626 = 0.01615 -0.00503 -0.00320 -0.00185 C15 1 0.713540 0.384548 0.863060 11.00000 0.02618 0.02199 = 0.01787 -0.00586 0.00256 -0.00279 AFIX 137 H15A 2 0.891114 0.385338 0.908111 11.00000 -1.20000 H15B 2 0.587614 0.311498 0.879896 11.00000 -1.20000 H15C 2 0.544320 0.460336 0.857478 11.00000 -1.20000 AFIX 0 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM 021VMJ24.res in P-1 REM wR2 = 0.1096, GooF = S = 1.060, Restrained GooF = 1.060 for all data REM R1 = 0.0375 for 2531 Fo > 4sig(Fo) and 0.0417 for all 2896 data REM 185 parameters refined using 1 restraints END WGHT 0.0586 0.0904 REM Instructions for potential hydrogen bonds HTAB O1 N1_$1 HTAB C2 O2_$2 HTAB C3 O2_$3 HTAB C9 O2_$4 HTAB C13 O1_$5 HTAB C15 F2_$6 REM Highest difference peak 0.385, deepest hole -0.277, 1-sigma level 0.051 Q1 1 0.8026 0.3793 0.8184 11.00000 0.05 0.39 Q2 1 0.6232 0.2469 0.3996 11.00000 0.05 0.36 Q3 1 0.5722 0.1427 0.5510 11.00000 0.05 0.33 Q4 1 1.0625 0.2574 0.1409 11.00000 0.05 0.32 Q5 1 0.9897 0.0990 0.2245 11.00000 0.05 0.30 Q6 1 0.4153 0.3547 0.5123 11.00000 0.05 0.28 Q7 1 0.2206 0.2418 0.6596 11.00000 0.05 0.28 Q8 1 0.9307 0.1555 0.2853 11.00000 0.05 0.27 Q9 1 0.5470 0.3071 0.4579 11.00000 0.05 0.27 Q10 1 1.1157 0.2022 0.0850 11.00000 0.05 0.26 ; _shelx_res_checksum 48207 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 F F1 1.2872(2) 0.35402(6) 0.05185(4) 0.0267(2) Uani d 1 . . F F2 1.3162(2) 0.14057(7) -0.00933(4) 0.0270(2) Uani d 1 . . O O1 1.0367(2) 0.26535(7) 0.77019(5) 0.0227(2) Uani d 1 . . H H1 1.149(4) 0.2625(16) 0.7221(8) 0.034 Uiso d 1 . . O O2 0.9139(2) 0.46992(8) 0.71996(5) 0.0248(2) Uani d 1 . . N N1 0.3443(2) 0.25072(9) 0.61506(6) 0.0173(2) Uani d 1 . . N N2 0.8633(2) 0.15059(9) 0.33060(6) 0.0160(2) Uani d 1 . . C C2 0.2908(3) 0.35258(10) 0.55249(7) 0.0184(2) Uani d 1 . . H H2 0.170570 0.426595 0.567636 0.022 Uiso calc 1 . . C C3 0.4024(3) 0.35531(10) 0.46656(7) 0.0179(2) Uani d 1 . . H H3 0.356878 0.429362 0.423999 0.022 Uiso calc 1 . . C C4 0.5820(3) 0.24782(10) 0.44380(7) 0.0146(2) Uani d 1 . . C C5 0.6392(3) 0.14168(10) 0.50878(7) 0.0165(2) Uani d 1 . . H H5 0.760800 0.066575 0.495690 0.020 Uiso calc 1 . . C C6 0.5164(3) 0.14717(11) 0.59270(7) 0.0186(2) Uani d 1 . . H H6 0.555773 0.074234 0.636467 0.022 Uiso calc 1 . . C C7 0.7017(3) 0.24845(10) 0.35283(7) 0.0162(2) Uani d 1 . . H H7 0.657799 0.322648 0.310346 0.019 Uiso calc 1 . . C C8 0.9763(3) 0.15414(10) 0.24265(7) 0.0150(2) Uani d 1 . . C C9 1.0735(3) 0.26135(10) 0.18881(7) 0.0165(2) Uani d 1 . . H H9 1.062252 0.337691 0.209691 0.020 Uiso calc 1 . . C C10 1.1855(3) 0.25322(11) 0.10491(7) 0.0180(2) Uani d 1 . . C C11 1.2023(3) 0.14296(11) 0.07350(7) 0.0188(2) Uani d 1 . . C C12 1.1089(3) 0.03675(11) 0.12571(7) 0.0195(2) Uani d 1 . . H H12 1.118976 -0.038866 0.103919 0.023 Uiso calc 1 . . C C13 0.9997(3) 0.04275(10) 0.21085(7) 0.0175(2) Uani d 1 . . H H13 0.939981 -0.030190 0.248056 0.021 Uiso calc 1 . . C C14 0.8935(3) 0.37915(10) 0.77688(7) 0.0173(2) Uani d 1 . . C C15 0.7135(3) 0.38455(11) 0.86306(8) 0.0218(3) Uani d 1 . . H H15A 0.891114 0.385338 0.908111 0.026 Uiso calc 1 . . H H15B 0.587614 0.311498 0.879896 0.026 Uiso calc 1 . . H H15C 0.544320 0.460336 0.857478 0.026 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 F1 0.0436(5) 0.0192(4) 0.0175(3) -0.0091(3) 0.0047(3) -0.0008(3) F2 0.0417(4) 0.0266(4) 0.0145(3) -0.0054(3) 0.0064(3) -0.0080(3) O1 0.0362(5) 0.0146(4) 0.0165(4) 0.0001(3) 0.0040(3) -0.0031(3) O2 0.0386(5) 0.0161(4) 0.0178(4) 0.0005(3) 0.0014(4) -0.0008(3) N1 0.0198(5) 0.0170(5) 0.0155(4) -0.0003(4) -0.0011(4) -0.0050(4) N2 0.0194(5) 0.0146(5) 0.0143(4) -0.0015(3) -0.0002(4) -0.0041(3) C2 0.0212(6) 0.0139(5) 0.0200(5) 0.0026(4) -0.0003(4) -0.0063(4) C3 0.0219(5) 0.0130(5) 0.0176(5) 0.0016(4) -0.0014(4) -0.0018(4) C4 0.0146(5) 0.0146(5) 0.0150(5) -0.0010(4) -0.0022(4) -0.0043(4) C5 0.0184(5) 0.0117(5) 0.0191(5) 0.0019(4) -0.0007(4) -0.0045(4) C6 0.0221(6) 0.0152(5) 0.0171(5) 0.0010(4) -0.0018(4) -0.0012(4) C7 0.0182(5) 0.0147(5) 0.0152(5) -0.0004(4) -0.0021(4) -0.0024(4) C8 0.0156(5) 0.0150(5) 0.0141(5) 0.0012(4) -0.0020(4) -0.0039(4) C9 0.0201(5) 0.0139(5) 0.0157(5) 0.0001(4) -0.0019(4) -0.0049(4) C10 0.0218(5) 0.0159(5) 0.0157(5) -0.0033(4) -0.0014(4) -0.0003(4) C11 0.0225(6) 0.0223(6) 0.0120(5) -0.0008(4) 0.0002(4) -0.0058(4) C12 0.0243(6) 0.0158(5) 0.0197(5) -0.0011(4) -0.0007(4) -0.0079(4) C13 0.0208(5) 0.0138(5) 0.0180(5) -0.0020(4) -0.0003(4) -0.0034(4) C14 0.0204(5) 0.0163(5) 0.0161(5) -0.0019(4) -0.0032(4) -0.0050(4) C15 0.0262(6) 0.0220(6) 0.0179(5) -0.0028(5) 0.0026(5) -0.0059(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C14 O1 H1 . . 113.1(11) ? C2 N1 C6 . . 117.64(9) ? C7 N2 C8 . . 119.44(9) yes N1 C2 C3 . . 123.21(10) ? N1 C2 H2 . . 118.4 ? C3 C2 H2 . . 118.4 ? C2 C3 C4 . . 118.93(10) ? C2 C3 H3 . . 120.5 ? C4 C3 H3 . . 120.5 ? C3 C4 C5 . . 118.06(10) ? C3 C4 C7 . . 119.85(10) ? C5 C4 C7 . . 122.09(10) ? C6 C5 C4 . . 119.10(10) ? C6 C5 H5 . . 120.4 ? C4 C5 H5 . . 120.4 ? N1 C6 C5 . . 123.06(10) ? N1 C6 H6 . . 118.5 ? C5 C6 H6 . . 118.5 ? N2 C7 C4 . . 120.72(10) yes N2 C7 H7 . . 119.6 ? C4 C7 H7 . . 119.6 ? C13 C8 C9 . . 119.71(10) ? C13 C8 N2 . . 116.81(10) ? C9 C8 N2 . . 123.45(10) ? C10 C9 C8 . . 118.37(10) ? C10 C9 H9 . . 120.8 ? C8 C9 H9 . . 120.8 ? F1 C10 C9 . . 119.95(10) ? F1 C10 C11 . . 118.55(10) ? C9 C10 C11 . . 121.49(10) ? F2 C11 C12 . . 120.40(10) ? F2 C11 C10 . . 118.78(10) ? C12 C11 C10 . . 120.81(10) ? C11 C12 C13 . . 118.52(10) ? C11 C12 H12 . . 120.7 ? C13 C12 H12 . . 120.7 ? C12 C13 C8 . . 121.07(10) ? C12 C13 H13 . . 119.5 ? C8 C13 H13 . . 119.5 ? O2 C14 O1 . . 123.43(10) yes O2 C14 C15 . . 123.74(10) yes O1 C14 C15 . . 112.80(9) yes C14 C15 H15A . . 109.5 ? C14 C15 H15B . . 109.5 ? H15A C15 H15B . . 109.5 ? C14 C15 H15C . . 109.5 ? H15A C15 H15C . . 109.5 ? H15B C15 H15C . . 109.5 ? 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 F1 C10 . 1.3504(13) ? F2 C11 . 1.3531(12) ? O1 C14 . 1.3243(14) yes O1 H1 . 0.858(9) ? O2 C14 . 1.2166(14) yes N1 C2 . 1.3391(14) ? N1 C6 . 1.3419(15) ? N2 C7 . 1.2739(15) yes N2 C8 . 1.4188(13) yes C2 C3 . 1.3884(15) ? C2 H2 . 0.9500 ? C3 C4 . 1.3917(15) ? C3 H3 . 0.9500 ? C4 C5 . 1.3938(15) ? C4 C7 . 1.4746(14) ? C5 C6 . 1.3850(15) ? C5 H5 . 0.9500 ? C6 H6 . 0.9500 ? C7 H7 . 0.9500 ? C8 C13 . 1.3951(16) ? C8 C9 . 1.4029(15) ? C9 C10 . 1.3777(15) ? C9 H9 . 0.9500 ? C10 C11 . 1.3818(17) ? C11 C12 . 1.3783(16) ? C12 C13 . 1.3884(15) ? C12 H12 . 0.9500 ? C13 H13 . 0.9500 ? C14 C15 . 1.5000(15) ? C15 H15A . 0.9800 ? C15 H15B . 0.9800 ? C15 H15C . 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 O1 H1 N1 1_655 0.858(9) 1.827(9) 2.6819(12) 173.6(17) yes C2 H2 O2 1_455 0.95 2.64 3.3344(14) 130.1 yes C3 H3 O2 2_666 0.95 2.48 3.3174(14) 147.1 yes C9 H9 O2 2_766 0.95 2.56 3.5088(14) 173.2 yes C13 H13 O1 2_756 0.95 2.65 3.3713(14) 133.6 yes C15 H15B F2 1_456 0.98 2.61 3.5224(14) 154.9 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag C6 N1 C2 C3 . . . . 0.39(17) ? N1 C2 C3 C4 . . . . -0.65(17) ? C2 C3 C4 C5 . . . . 0.43(16) ? C2 C3 C4 C7 . . . . 179.76(10) ? C3 C4 C5 C6 . . . . 0.00(16) ? C7 C4 C5 C6 . . . . -179.31(10) ? C2 N1 C6 C5 . . . . 0.08(17) ? C4 C5 C6 N1 . . . . -0.27(17) ? C8 N2 C7 C4 . . . . -179.80(9) ? C3 C4 C7 N2 . . . . -179.29(10) yes C5 C4 C7 N2 . . . . 0.01(17) yes C7 N2 C8 C13 . . . . -151.63(11) yes C7 N2 C8 C9 . . . . 30.40(16) yes C13 C8 C9 C10 . . . . 0.87(16) ? N2 C8 C9 C10 . . . . 178.78(10) ? C8 C9 C10 F1 . . . . -178.78(10) ? C8 C9 C10 C11 . . . . 0.20(17) ? F1 C10 C11 F2 . . . . -0.67(17) ? C9 C10 C11 F2 . . . . -179.67(10) ? F1 C10 C11 C12 . . . . 178.57(10) ? C9 C10 C11 C12 . . . . -0.43(18) ? F2 C11 C12 C13 . . . . 178.80(10) ? C10 C11 C12 C13 . . . . -0.42(18) ? C11 C12 C13 C8 . . . . 1.50(17) ? C9 C8 C13 C12 . . . . -1.74(17) ? N2 C8 C13 C12 . . . . -179.79(10) ?