#------------------------------------------------------------------------------ #$Date: 2026-09-30 23:19:48 +0200 (Wed, 30 Sep 2026) $ #$Revision: 306933 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/35/2023584.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_2023584 loop_ _publ_author_name 'Wu, Eric' 'Watson, James D.' 'Tian, Ruoming' 'Bhadbhade, Mohan' 'Ball, Graham E.' _publ_section_title ; Synthesis and crystal structure of tetrakis(perfluorobenzonitrile)silver(I) tetrakis(perfluoro-tert-butoxy)aluminate(1−): a perfluorinated silver(I) nitrile cation with a perfluorinated weakly coordinating anion ; _journal_coeditor_code VU2025 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E Crystallographic Communications' _journal_page_first 1217 _journal_page_last 1220 _journal_paper_doi 10.1107/S205698902600976X _journal_volume 82 _journal_year 2026 _chemical_absolute_configuration ad _chemical_formula_iupac '[Ag (C7 F5 N)4] [Al (C4 F9 O)4]' _chemical_formula_moiety 'Ag C28 F20 N4 +, Al C16 F36 O4 -' _chemical_formula_sum 'C44 Ag Al F56 N4 O4' _chemical_formula_weight 1847.33 _chemical_name_systematic ; Tetrakis(perfluorobenzonitrile)silver(I) tetrakis(perfluoro-tert-butoxy)aluminate(1-) ; _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _audit_creation_method ; Olex2 1.5 (compiled 2026.04.10 svn.r48fbca5a for OlexSys, GUI svn.r7537) ; _cell_angle_alpha 90 _cell_angle_beta 98.493(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.3210(9) _cell_length_b 24.5685(16) _cell_length_c 17.8741(9) _cell_measurement_reflns_used 2527 _cell_measurement_temperature 120.00 _cell_measurement_theta_max 25.009 _cell_measurement_theta_min 2.644 _cell_volume 5785.6(6) _computing_cell_refinement ; SAINT V8.41 (Bruker, 2024) ; _computing_data_collection ; APEX6 (Bruker, 2024) ; _computing_data_reduction ; SAINT V8.41 (Bruker, 2024) ; _computing_molecular_graphics ; Olex2 1.5 (Dolomanov et al., 2009) ; _computing_publication_material ; Olex2 1.5 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 120.00 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device 'Bruker D8 Quest four-circle diffractometer' _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0654 _diffrn_reflns_av_unetI/netI 0.0753 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 72495 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.785 _diffrn_reflns_theta_min 1.969 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.594 _exptl_absorpt_correction_T_max 0.7451 _exptl_absorpt_correction_T_min 0.4498 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 2.121 _exptl_crystal_description plate _exptl_crystal_F_000 3552 _exptl_crystal_size_max 0.217 _exptl_crystal_size_mid 0.193 _exptl_crystal_size_min 0.122 _refine_diff_density_max 0.839 _refine_diff_density_min -0.539 _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.49(2) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.026 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 2063 _refine_ls_number_reflns 24108 _refine_ls_number_restraints 80 _refine_ls_restrained_S_all 1.030 _refine_ls_R_factor_all 0.0711 _refine_ls_R_factor_gt 0.0510 _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^)+(0.0681P)^2^+2.0284P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1254 _refine_ls_wR_factor_ref 0.1367 _reflns_number_gt 18810 _reflns_number_total 24108 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file vu2025.cif _cod_data_source_block I _cod_database_code 2023584 _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 0.882 _shelx_estimated_absorpt_t_max 0.931 _shelx_hkl_file ; -2 0 0 88.90 6.17 2 0 0 79.66 6.13 -3 0 0 20.80 1.93 3 0 0 19.41 1.90 5 0 0 26.88 2.58 -6 0 0 105.01 8.14 -7 0 0 1.15 1.17 7 0 0 -0.29 0.91 7 0 0 1.09 0.26 -8 0 0 145.59 12.56 8 0 0 185.84 11.76 -9 0 0 4.96 1.58 9 0 0 3.84 0.52 -10 0 0 10.28 2.25 10 0 0 11.93 1.01 -11 0 0 4.42 1.78 11 0 0 4.15 0.94 11 0 0 5.62 0.67 -12 0 0 6.34 0.82 -12 0 0 6.73 2.02 12 0 0 4.65 0.72 12 0 0 4.56 1.02 12 0 0 5.41 0.63 -13 0 0 0.40 1.50 13 0 0 0.42 0.33 13 0 0 0.49 0.41 13 0 0 -0.06 0.82 -14 0 0 5.58 2.21 14 0 0 3.15 0.96 14 0 0 5.49 0.78 14 0 0 4.19 0.57 -15 0 0 0.10 1.36 15 0 0 0.65 1.41 15 0 0 0.15 0.78 15 0 0 0.19 0.49 15 0 0 0.24 0.31 -16 0 0 1.88 1.60 16 0 0 1.16 0.68 16 0 0 -0.60 1.25 16 0 0 0.16 0.78 16 -1 0 0.59 0.76 16 -1 0 1.15 0.60 16 -1 0 -0.13 0.50 16 -1 0 -0.57 1.21 -16 1 0 0.15 1.40 15 -1 0 0.97 0.54 15 -1 0 0.89 0.37 15 -1 0 1.51 0.80 15 -1 0 0.45 1.37 -15 1 0 0.96 1.53 14 -1 0 4.30 0.73 14 -1 0 3.80 1.01 14 -1 0 4.04 0.58 14 -1 0 2.05 1.35 -14 1 0 3.42 1.78 13 -1 0 3.10 0.52 13 -1 0 1.79 0.83 13 -1 0 1.88 1.39 13 -1 0 5.37 0.70 -13 1 0 1.88 1.69 12 -1 0 10.85 1.11 12 -1 0 14.29 1.06 12 -1 0 11.24 1.44 -12 1 0 8.68 2.48 11 -1 0 17.24 1.37 11 -1 0 18.47 1.43 11 -1 0 14.52 1.63 -11 1 0 16.66 2.84 10 -1 0 3.08 0.53 10 -1 0 3.04 0.84 -10 1 0 3.46 1.64 9 -1 0 3.02 0.47 9 -1 0 3.76 0.74 -9 1 0 2.29 1.47 8 -1 0 20.69 1.70 -8 1 0 18.14 2.52 7 -1 0 8.57 1.68 -7 1 0 10.05 1.72 6 -1 0 63.93 4.48 -6 1 0 62.38 4.43 5 -1 0 145.86 10.33 -5 1 0 148.69 10.29 4 -1 0 199.03 14.51 -4 1 0 215.76 14.48 3 -1 0 123.05 8.40 -3 1 0 105.35 8.33 2 -1 0 6.73 0.51 2 -1 0 6.57 0.57 -2 1 0 6.71 0.51 -2 -1 0 5.28 0.82 2 1 0 4.98 0.77 -4 -1 0 162.81 13.08 4 1 0 198.30 12.68 -5 -1 0 120.77 10.26 5 1 0 155.49 9.76 -6 -1 0 52.32 4.90 6 1 0 65.10 4.24 -7 -1 0 12.90 1.96 7 1 0 15.30 1.14 -8 -1 0 27.92 3.07 8 1 0 30.32 2.18 -9 -1 0 3.79 1.49 9 1 0 3.71 0.49 -10 -1 0 2.89 0.59 -10 -1 0 3.17 1.56 10 1 0 3.18 0.51 -11 -1 0 17.10 1.53 -11 -1 0 19.84 2.74 11 1 0 18.07 1.47 -12 -1 0 10.82 2.48 -12 -1 0 12.87 1.13 12 1 0 6.85 1.26 12 1 0 10.35 1.01 -13 -1 0 4.39 0.74 -13 -1 0 4.29 1.78 13 1 0 3.24 0.98 13 1 0 4.62 0.54 13 1 0 3.52 0.66 -14 -1 0 5.72 2.17 14 1 0 3.68 0.54 14 1 0 4.61 1.06 14 1 0 5.22 0.76 -15 -1 0 0.70 1.38 15 1 0 0.70 0.53 15 1 0 0.83 0.32 15 1 0 0.94 0.86 -16 -1 0 0.46 1.38 16 1 0 1.23 0.91 16 1 0 -1.00 1.27 16 1 0 0.08 0.52 16 -2 0 -2.00 1.06 16 -2 0 0.36 0.36 16 -2 0 0.72 0.58 16 -2 0 -0.26 0.67 -16 2 0 0.06 1.49 15 -2 0 0.22 0.37 15 -2 0 0.17 1.36 15 -2 0 1.52 0.55 15 -2 0 0.89 0.74 -15 2 0 0.27 1.46 14 -2 0 4.12 0.73 14 -2 0 3.11 0.57 14 -2 0 1.72 1.26 14 -2 0 3.96 0.90 -14 2 0 1.85 1.61 13 -2 0 3.51 0.69 13 -2 0 3.77 1.55 13 -2 0 3.15 0.59 13 -2 0 4.71 1.01 -13 2 0 3.69 1.77 12 -2 0 0.40 1.27 12 -2 0 1.45 0.46 12 -2 0 1.79 0.43 12 -2 0 1.84 0.75 -12 2 0 1.53 1.51 11 -2 0 24.44 2.80 11 -2 0 33.48 2.28 11 -2 0 30.35 2.47 11 -2 0 30.43 2.21 -11 2 0 22.91 3.47 10 -2 0 0.14 0.32 10 -2 0 2.02 0.68 -10 2 0 0.91 1.45 9 -2 0 19.45 1.66 9 -2 0 17.99 1.46 8 -2 0 7.96 0.92 8 -2 0 9.31 0.75 -8 2 0 4.97 1.66 7 -2 0 60.68 4.34 7 -2 0 61.91 4.49 -7 2 0 59.83 4.28 6 -2 0 165.98 11.58 6 -2 0 160.06 11.69 -6 2 0 168.36 11.54 5 -2 0 3.39 1.16 5 -2 0 5.13 0.63 5 -2 0 6.04 0.50 -5 2 0 5.32 0.50 4 -2 0 55.88 3.86 4 -2 0 56.18 3.94 -4 2 0 51.81 3.86 3 -2 0 126.20 8.59 3 -2 0 109.55 8.67 3 -2 0 121.62 8.54 -3 2 0 129.33 8.54 2 -2 0 66.26 4.66 2 -2 0 70.43 4.59 2 -2 0 65.73 4.56 2 -2 0 60.11 4.78 -2 2 0 67.38 4.56 -2 2 0 67.35 4.59 -2 2 0 56.61 4.65 1 -2 0 95.53 6.73 1 -2 0 94.05 6.76 1 -2 0 95.37 6.73 1 -2 0 94.79 6.72 -1 2 0 108.04 6.84 -1 2 0 95.65 6.73 -1 2 0 93.72 6.76 -1 2 0 96.05 6.73 -1 2 0 92.23 6.72 -1 -2 0 91.95 6.69 1 2 0 94.57 6.70 1 2 0 97.18 6.61 -2 -2 0 70.71 5.20 2 2 0 73.36 5.25 2 2 0 71.01 5.02 -3 -2 0 120.39 8.70 -4 -2 0 51.15 4.02 -5 -2 0 5.93 0.53 -5 -2 0 5.93 1.22 5 2 0 5.13 0.50 6 2 0 180.87 12.68 -7 -2 0 57.36 4.99 7 2 0 59.56 4.19 -8 -2 0 9.83 0.86 -8 -2 0 9.25 1.68 8 2 0 8.52 0.79 -9 -2 0 16.12 2.41 -9 -2 0 22.21 1.63 9 2 0 20.56 1.56 -10 -2 0 0.66 0.48 -10 -2 0 0.59 1.16 10 2 0 0.66 0.32 -11 -2 0 33.71 2.46 -11 -2 0 31.90 3.57 11 2 0 29.26 2.38 -12 -2 0 2.21 0.60 -12 -2 0 0.11 1.26 12 2 0 1.25 0.41 -13 -2 0 3.64 0.73 -13 -2 0 5.36 2.06 13 2 0 3.33 0.47 13 2 0 2.98 0.57 13 2 0 0.64 0.83 -14 -2 0 5.49 1.87 -14 -2 0 4.17 0.77 14 2 0 2.78 0.47 14 2 0 3.83 0.68 14 2 0 2.49 0.96 -15 -2 0 3.24 1.72 15 2 0 1.14 0.55 15 2 0 0.90 0.29 15 2 0 -0.48 0.78 -16 -2 0 1.80 1.65 16 2 0 0.18 0.86 16 2 0 0.61 0.54 16 -3 0 2.24 1.49 16 -3 0 1.61 0.81 16 -3 0 2.58 0.75 16 -3 0 2.57 0.56 -16 3 0 2.27 2.04 15 -3 0 5.90 1.86 15 -3 0 7.66 1.03 15 -3 0 8.62 0.87 15 -3 0 10.44 1.30 -15 3 0 6.59 2.27 14 -3 0 5.53 0.95 14 -3 0 4.78 1.59 14 -3 0 4.14 0.65 14 -3 0 5.64 0.81 -14 3 0 3.35 1.82 13 -3 0 9.19 1.16 13 -3 0 7.84 1.71 13 -3 0 9.87 0.92 13 -3 0 9.29 1.03 -13 3 0 9.03 2.50 12 -3 0 3.62 0.84 12 -3 0 0.82 1.18 12 -3 0 2.77 0.51 12 -3 0 3.29 0.64 -12 3 0 2.39 1.87 11 -3 0 23.45 1.93 11 -3 0 27.16 2.00 11 -3 0 25.35 2.15 10 -3 0 15.93 1.49 10 -3 0 18.07 1.35 10 -3 0 16.73 1.30 10 -3 0 13.94 1.99 -10 3 0 11.02 2.41 9 -3 0 116.13 8.44 9 -3 0 117.11 8.30 9 -3 0 122.62 8.32 -9 3 0 113.52 8.22 8 -3 0 10.48 1.05 8 -3 0 11.66 1.53 8 -3 0 10.66 0.90 -8 3 0 10.01 0.82 7 -3 0 127.60 8.77 7 -3 0 119.30 8.86 7 -3 0 115.04 9.11 -7 3 0 131.71 8.72 6 -3 0 29.50 2.67 6 -3 0 33.01 2.33 6 -3 0 33.42 2.45 -6 3 0 30.57 2.33 5 -3 0 78.13 5.42 5 -3 0 72.12 5.60 5 -3 0 74.29 5.34 -5 3 0 76.81 5.34 4 -3 0 61.62 4.46 4 -3 0 60.90 4.66 4 -3 0 66.27 4.51 -4 3 0 63.34 4.46 3 -3 0 199.90 14.96 3 -3 0 210.38 14.65 3 -3 0 217.05 14.68 3 -3 0 207.63 14.78 -3 3 0 204.34 14.69 -3 3 0 217.94 14.65 2 -3 0 117.95 8.39 2 -3 0 121.91 8.41 2 -3 0 117.23 8.47 2 -3 0 122.42 8.41 2 -3 0 129.19 8.60 -2 3 0 118.19 8.39 -2 3 0 122.91 8.41 -2 3 0 112.47 8.62 -2 3 0 116.29 8.48 1 -3 0 74.88 5.17 1 -3 0 75.40 5.20 1 -3 0 72.25 5.17 -1 3 0 70.25 5.15 -1 3 0 74.96 5.20 -1 3 0 73.15 5.17 -1 3 0 74.26 5.17 0 -3 0 0.11 0.16 0 -3 0 0.06 0.05 0 -3 0 0.06 0.11 0 -3 0 -0.05 0.06 0 3 0 0.10 0.14 0 3 0 -0.02 0.06 -1 -3 0 70.49 4.92 1 3 0 69.06 5.02 1 3 0 70.81 4.92 -2 -3 0 124.18 8.82 2 3 0 123.24 8.83 -3 -3 0 228.59 16.06 3 3 0 226.62 16.13 3 3 0 224.55 15.82 -4 -3 0 64.04 4.50 -4 -3 0 60.43 4.15 4 3 0 50.27 4.52 -5 -3 0 77.96 5.69 -5 -3 0 83.48 6.16 -6 -3 0 30.95 2.97 -6 -3 0 34.52 2.41 6 3 0 32.33 2.38 -7 -3 0 141.46 9.51 -7 -3 0 131.25 10.14 7 3 0 130.98 9.48 -8 -3 0 12.39 1.03 -8 -3 0 12.57 1.78 8 3 0 10.70 0.95 -9 -3 0 125.92 9.66 -9 -3 0 128.66 8.78 9 3 0 116.73 8.73 -10 -3 0 16.98 1.46 -10 -3 0 19.76 2.46 10 3 0 16.14 1.37 -11 -3 0 28.78 3.23 -11 -3 0 23.61 1.96 11 3 0 23.18 1.88 -12 -3 0 3.55 0.69 -12 -3 0 2.52 1.62 12 3 0 2.66 0.52 -13 -3 0 9.15 1.04 -13 -3 0 9.34 2.08 13 3 0 8.93 0.94 -14 -3 0 4.88 1.81 -14 -3 0 3.95 0.79 14 3 0 4.00 0.69 14 3 0 3.98 1.14 14 3 0 4.02 0.49 -15 -3 0 8.71 2.35 15 3 0 8.07 0.69 15 3 0 10.45 1.01 15 3 0 4.46 1.28 -16 -3 0 1.75 1.66 16 3 0 1.73 0.61 16 3 0 0.90 0.94 16 -4 0 6.39 1.08 16 -4 0 6.35 0.99 16 -4 0 6.57 1.80 16 -4 0 7.76 0.83 -16 4 0 4.94 2.37 15 -4 0 5.99 1.74 15 -4 0 7.94 1.20 15 -4 0 6.83 1.01 15 -4 0 8.95 0.87 -15 4 0 6.29 2.53 14 -4 0 11.47 2.03 14 -4 0 11.00 1.10 14 -4 0 11.11 1.30 14 -4 0 9.16 0.97 -14 4 0 5.30 2.16 13 -4 0 11.31 2.05 13 -4 0 13.09 1.32 13 -4 0 12.35 1.10 13 -4 0 12.35 1.19 -13 4 0 7.35 2.53 12 -4 0 5.67 0.68 12 -4 0 3.94 0.92 12 -4 0 4.39 1.41 12 -4 0 5.73 0.77 -12 4 0 3.58 1.78 11 -4 0 22.47 1.97 11 -4 0 22.96 2.46 11 -4 0 21.40 1.79 11 -4 0 22.58 1.76 10 -4 0 7.26 0.90 10 -4 0 11.68 0.93 10 -4 0 11.18 1.10 10 -4 0 10.51 1.71 -10 4 0 9.09 0.80 9 -4 0 20.99 1.75 9 -4 0 20.81 2.25 9 -4 0 26.66 1.76 9 -4 0 23.15 1.88 -9 4 0 21.24 1.67 8 -4 0 12.77 1.72 8 -4 0 14.70 1.20 8 -4 0 15.07 1.31 8 -4 0 13.31 1.19 -8 4 0 15.87 1.13 7 -4 0 21.92 2.17 7 -4 0 23.95 1.77 7 -4 0 25.28 1.78 7 -4 0 18.99 2.66 7 -4 0 24.46 1.87 6 -4 0 27.70 1.94 6 -4 0 25.46 2.22 6 -4 0 27.13 1.87 6 -4 0 23.06 2.61 6 -4 0 24.61 1.85 -6 4 0 21.47 1.84 5 -4 0 27.56 2.73 5 -4 0 30.32 2.43 5 -4 0 31.07 2.20 5 -4 0 28.81 2.16 5 -4 0 28.90 2.15 -5 4 0 29.67 2.14 4 -4 0 25.09 1.94 4 -4 0 23.75 2.08 4 -4 0 26.12 2.34 4 -4 0 24.69 1.92 4 -4 0 28.59 1.92 -4 4 0 29.55 1.91 -4 4 0 25.09 1.98 3 -4 0 57.67 4.11 3 -4 0 56.53 4.09 3 -4 0 60.66 4.39 3 -4 0 57.46 4.21 3 -4 0 62.93 4.11 -3 4 0 58.75 4.12 -3 4 0 55.58 4.08 -3 4 0 52.83 4.22 2 -4 0 166.19 11.73 2 -4 0 157.36 11.65 2 -4 0 167.74 11.68 2 -4 0 170.45 11.68 -2 4 0 169.20 11.68 -2 4 0 183.94 11.91 -2 4 0 155.12 11.65 -2 4 0 164.29 11.75 1 -4 0 246.13 18.05 -1 4 0 254.25 18.68 -1 4 0 234.57 17.75 0 -4 0 83.60 6.22 0 -4 0 86.69 6.20 0 -4 0 89.77 6.43 0 -4 0 96.44 6.28 0 4 0 93.15 6.42 0 4 0 87.20 6.23 0 4 0 84.81 6.22 -1 -4 0 166.46 12.71 1 4 0 194.20 12.73 -2 -4 0 166.79 11.48 2 4 0 157.18 11.45 2 4 0 160.35 11.28 -3 -4 0 56.78 4.15 3 4 0 51.37 3.91 3 4 0 58.09 4.21 -4 -4 0 31.40 2.42 4 4 0 27.18 2.07 4 4 0 28.53 2.52 -5 -4 0 30.62 2.42 -5 -4 0 25.59 1.97 5 4 0 24.07 2.52 -6 -4 0 20.71 2.16 -6 -4 0 22.85 1.68 -7 -4 0 23.51 2.34 -7 -4 0 21.90 1.73 7 4 0 22.87 1.69 -8 -4 0 14.07 1.26 -8 -4 0 16.66 2.04 8 4 0 15.95 1.20 -9 -4 0 24.63 2.76 -9 -4 0 22.62 1.89 9 4 0 25.71 1.84 -10 -4 0 9.67 1.83 -10 -4 0 10.63 1.03 10 4 0 10.49 0.92 -11 -4 0 26.06 2.98 -11 -4 0 20.26 1.75 11 4 0 20.08 1.66 -12 -4 0 5.69 0.85 -12 -4 0 6.43 1.81 12 4 0 7.03 0.73 -13 -4 0 11.42 1.18 -13 -4 0 13.05 2.29 13 4 0 11.85 1.11 -14 -4 0 12.59 2.29 -14 -4 0 9.99 1.41 14 4 0 9.89 1.04 14 4 0 10.21 0.85 -15 -4 0 9.87 2.37 15 4 0 8.17 0.97 -16 -4 0 10.63 2.43 16 4 0 6.47 0.94 16 4 0 4.26 1.35 16 -5 0 2.68 2.52 16 -5 0 2.51 0.69 16 -5 0 0.61 0.72 16 -5 0 2.28 0.55 -16 5 0 0.62 1.63 15 -5 0 0.79 0.71 15 -5 0 1.57 0.49 15 -5 0 1.52 1.26 15 -5 0 1.02 0.57 -15 5 0 1.49 1.87 14 -5 0 1.90 0.79 14 -5 0 1.24 0.48 14 -5 0 2.13 0.58 14 -5 0 1.49 1.21 -14 5 0 2.20 1.73 13 -5 0 1.14 0.65 13 -5 0 0.30 1.09 13 -5 0 1.81 0.57 13 -5 0 2.20 0.49 -13 5 0 0.83 1.73 12 -5 0 8.65 0.86 12 -5 0 8.99 1.05 12 -5 0 8.51 0.94 12 -5 0 6.65 1.75 -12 5 0 4.36 1.97 11 -5 0 3.20 0.77 11 -5 0 2.09 0.47 11 -5 0 1.71 1.11 11 -5 0 2.81 0.58 -11 5 0 0.69 1.33 -11 5 0 1.85 0.42 10 -5 0 24.85 2.05 10 -5 0 23.75 2.50 10 -5 0 24.00 1.95 10 -5 0 24.84 1.92 -10 5 0 25.39 1.85 9 -5 0 10.27 1.54 9 -5 0 12.81 1.05 9 -5 0 12.00 1.03 9 -5 0 11.77 1.14 -9 5 0 11.53 0.95 8 -5 0 13.37 1.57 8 -5 0 12.76 1.08 8 -5 0 12.03 1.06 8 -5 0 13.35 1.19 -8 5 0 12.58 1.00 7 -5 0 7.32 0.71 7 -5 0 7.01 0.70 7 -5 0 7.83 1.16 7 -5 0 6.76 0.80 7 -5 0 7.99 1.54 -7 5 0 8.06 0.71 6 -5 0 41.38 3.13 6 -5 0 43.14 3.18 6 -5 0 45.30 3.46 6 -5 0 44.46 3.15 6 -5 0 43.40 3.83 -6 5 0 42.48 3.12 5 -5 0 17.06 1.23 5 -5 0 15.70 1.77 5 -5 0 15.10 1.52 5 -5 0 14.98 1.20 5 -5 0 15.55 1.26 -5 5 0 14.59 1.30 -5 5 0 15.49 1.19 4 -5 0 4.78 0.48 4 -5 0 5.49 0.69 4 -5 0 5.79 0.50 4 -5 0 5.25 0.51 4 -5 0 4.66 0.94 -4 5 0 4.72 0.46 -4 5 0 4.70 1.10 -4 5 0 4.26 0.71 -4 5 0 5.16 0.54 3 -5 0 3.50 0.36 3 -5 0 3.11 0.70 3 -5 0 3.89 0.39 3 -5 0 4.22 0.40 3 -5 0 3.00 0.53 -3 5 0 2.99 0.54 -3 5 0 2.65 0.72 -3 5 0 3.26 0.33 -3 5 0 3.56 0.37 2 -5 0 12.23 0.95 2 -5 0 12.27 0.96 2 -5 0 13.13 1.02 -2 5 0 11.74 0.91 -2 5 0 13.45 1.24 -2 5 0 11.98 0.94 -2 5 0 12.44 1.05 -2 5 0 11.43 0.95 1 -5 0 168.86 11.51 1 -5 0 161.76 11.48 1 -5 0 166.09 11.48 -1 5 0 161.06 11.48 -1 5 0 163.88 11.51 -1 5 0 161.35 11.48 0 -5 0 0.00 0.12 0 -5 0 0.12 0.17 0 -5 0 -0.06 0.35 0 -5 0 0.15 0.30 0 5 0 0.03 0.18 0 5 0 0.18 0.20 0 5 0 0.12 0.34 -1 -5 0 161.15 11.39 1 5 0 164.20 11.39 1 5 0 158.32 11.50 1 5 0 162.23 11.37 1 5 0 168.53 11.70 2 5 0 11.40 1.10 2 5 0 11.89 0.88 -3 -5 0 2.23 0.55 3 5 0 2.51 0.58 3 5 0 3.05 0.28 -4 -5 0 3.64 0.71 4 5 0 4.68 0.44 4 5 0 3.54 0.84 -5 -5 0 13.62 1.44 5 5 0 12.37 1.65 -6 -5 0 42.50 3.56 -7 -5 0 8.06 1.22 -7 -5 0 5.47 0.66 -8 -5 0 8.87 0.93 -8 -5 0 13.29 1.64 8 5 0 10.87 0.88 -9 -5 0 11.66 1.72 -9 -5 0 9.04 0.97 9 5 0 11.92 0.92 -10 -5 0 26.17 2.80 -10 -5 0 21.34 1.89 10 5 0 25.68 1.84 -11 -5 0 3.71 1.42 -11 -5 0 1.80 0.57 11 5 0 1.30 0.38 -12 -5 0 5.72 0.85 -12 -5 0 8.96 1.89 12 5 0 8.23 0.79 -13 -5 0 2.19 1.47 13 5 0 2.90 0.55 -14 -5 0 0.70 1.40 14 5 0 1.50 0.28 14 5 0 1.14 0.46 -15 -5 0 2.49 1.62 15 5 0 1.55 0.56 -16 -5 0 4.09 1.83 16 5 0 0.60 1.10 16 5 0 1.40 0.53 16 -6 0 -0.51 0.67 16 -6 0 -0.10 0.44 -16 6 0 0.26 1.64 15 -6 0 2.85 0.81 15 -6 0 1.83 1.28 15 -6 0 2.54 0.58 15 -6 0 2.54 0.71 -15 6 0 1.74 1.97 14 -6 0 2.98 1.38 14 -6 0 1.13 0.48 14 -6 0 1.49 0.68 14 -6 0 0.58 0.51 -14 6 0 0.43 1.53 13 -6 0 0.10 0.56 13 -6 0 1.20 1.25 13 -6 0 0.82 0.47 13 -6 0 0.42 0.42 -13 6 0 -0.10 1.57 12 -6 0 0.38 0.45 12 -6 0 1.38 1.15 12 -6 0 0.73 0.63 12 -6 0 0.39 0.40 -12 6 0 0.30 1.60 11 -6 0 19.93 1.70 11 -6 0 20.13 2.25 11 -6 0 17.25 1.58 11 -6 0 19.07 1.56 -11 6 0 18.61 1.47 10 -6 0 86.66 6.60 10 -6 0 83.32 6.07 10 -6 0 81.82 6.05 10 -6 0 89.98 6.17 -10 6 0 81.51 5.98 9 -6 0 2.19 0.47 9 -6 0 2.91 0.52 9 -6 0 3.18 0.65 9 -6 0 2.39 0.99 -9 6 0 1.55 1.34 -9 6 0 2.77 0.40 8 -6 0 40.25 3.05 8 -6 0 40.63 3.45 8 -6 0 42.73 3.13 8 -6 0 44.18 3.06 -8 6 0 39.42 3.04 7 -6 0 4.24 0.52 7 -6 0 4.05 0.90 7 -6 0 3.46 0.50 7 -6 0 3.56 1.45 7 -6 0 3.82 0.59 -7 6 0 1.80 1.08 -7 6 0 4.47 0.49 6 -6 0 16.03 1.57 6 -6 0 15.24 1.27 6 -6 0 17.20 1.33 6 -6 0 15.42 1.25 6 -6 0 18.20 2.20 -6 6 0 15.66 1.23 -6 6 0 13.95 1.36 5 -6 0 155.61 10.54 5 -6 0 157.20 10.57 5 -6 0 146.36 10.74 5 -6 0 153.41 10.58 -5 6 0 140.79 10.60 -5 6 0 145.54 10.52 4 -6 0 504.75 34.74 -4 6 0 512.90 34.64 -4 6 0 468.46 34.77 3 -6 0 72.32 5.10 3 -6 0 71.44 5.11 3 -6 0 69.96 5.17 -3 6 0 70.62 5.22 -3 6 0 77.33 5.45 -3 6 0 70.75 5.06 -3 6 0 70.14 5.09 2 -6 0 428.51 32.76 -2 6 0 454.79 31.85 -2 6 0 423.83 32.85 1 -6 0 9.06 0.77 1 -6 0 9.64 0.78 -1 6 0 10.28 0.78 -1 6 0 10.13 0.77 -1 6 0 9.06 0.82 0 -6 0 21.33 1.45 0 -6 0 20.43 1.78 0 -6 0 21.18 1.58 0 -6 0 18.72 1.48 0 6 0 20.54 1.50 0 6 0 20.49 1.78 0 6 0 18.26 1.48 -1 -6 0 8.48 0.73 -1 -6 0 7.77 0.92 -1 -6 0 11.21 1.15 1 6 0 8.62 0.73 1 6 0 10.45 0.72 1 6 0 9.74 1.10 1 6 0 9.92 0.88 2 6 0 414.41 27.13 2 6 0 355.87 27.13 -3 -6 0 69.44 5.17 3 6 0 68.70 5.16 3 6 0 69.77 4.89 -4 -6 0 514.87 34.99 4 6 0 497.23 34.65 4 6 0 523.42 35.05 4 6 0 451.85 34.67 -5 -6 0 148.05 10.79 5 6 0 145.98 10.39 5 6 0 153.37 10.41 5 6 0 145.07 10.93 -6 -6 0 16.06 1.67 6 6 0 13.87 2.02 -7 -6 0 3.93 0.96 -8 -6 0 44.42 3.85 -9 -6 0 2.74 1.12 9 6 0 3.05 0.43 -10 -6 0 95.51 7.24 10 6 0 83.15 6.30 -11 -6 0 21.37 2.58 11 6 0 18.94 1.56 -12 -6 0 1.04 1.27 12 6 0 -0.08 0.30 -13 -6 0 2.16 1.35 13 6 0 0.76 0.25 13 6 0 0.48 0.38 -14 -6 0 1.74 1.44 14 6 0 0.60 0.42 14 6 0 0.62 0.25 -15 -6 0 2.87 1.69 15 6 0 2.12 0.54 -16 -6 0 0.71 1.47 16 6 0 0.18 0.46 16 -7 0 1.93 0.59 16 -7 0 2.65 1.56 -16 7 0 0.59 1.97 15 -7 0 1.63 0.74 15 -7 0 1.05 0.49 15 -7 0 1.58 1.34 15 -7 0 2.26 0.64 -15 7 0 -0.04 1.57 14 -7 0 9.49 1.02 14 -7 0 11.25 1.15 14 -7 0 8.62 1.17 14 -7 0 12.00 2.03 13 -7 0 0.53 0.45 13 -7 0 1.26 1.13 13 -7 0 0.86 0.57 13 -7 0 0.06 0.62 -13 7 0 0.65 1.65 12 -7 0 2.43 0.63 12 -7 0 2.64 0.69 12 -7 0 2.29 0.54 12 -7 0 0.47 1.03 -12 7 0 0.64 1.62 -12 7 0 1.97 0.48 11 -7 0 8.19 0.88 11 -7 0 7.61 0.97 11 -7 0 7.32 1.71 11 -7 0 7.50 0.91 -11 7 0 4.11 1.91 -11 7 0 8.85 0.78 10 -7 0 22.82 2.37 10 -7 0 21.35 1.79 10 -7 0 22.53 1.88 10 -7 0 23.65 1.82 -10 7 0 21.84 1.71 9 -7 0 17.60 1.49 9 -7 0 17.14 1.99 9 -7 0 16.04 1.41 9 -7 0 17.53 1.42 8 -7 0 15.60 1.24 8 -7 0 14.66 1.29 8 -7 0 14.23 1.71 8 -7 0 15.12 1.25 -8 7 0 14.04 1.21 7 -7 0 62.55 4.54 7 -7 0 61.20 4.49 7 -7 0 63.78 4.80 7 -7 0 64.24 4.49 -7 7 0 59.92 4.46 6 -7 0 9.38 0.88 6 -7 0 10.01 0.82 6 -7 0 10.77 1.43 6 -7 0 10.13 0.84 6 -7 0 8.29 1.15 -6 7 0 8.28 0.77 -6 7 0 6.03 1.59 -6 7 0 7.66 0.90 5 -7 0 17.51 1.41 5 -7 0 18.41 1.40 5 -7 0 18.16 1.44 5 -7 0 17.87 1.60 5 -7 0 20.06 1.91 -5 7 0 16.22 1.71 -5 7 0 17.91 1.46 -5 7 0 17.36 1.36 4 -7 0 51.57 3.77 4 -7 0 52.60 3.87 4 -7 0 51.49 3.76 -4 7 0 50.13 3.92 -4 7 0 48.97 4.22 -4 7 0 51.59 3.75 -4 7 0 56.75 3.71 3 -7 0 204.58 13.64 3 -7 0 191.27 13.62 3 -7 0 192.27 13.69 -3 7 0 189.30 13.57 -3 7 0 204.39 13.95 -3 7 0 191.95 13.72 -3 7 0 184.04 13.61 2 -7 0 26.00 1.96 2 -7 0 26.03 1.97 2 -7 0 26.28 2.01 -2 7 0 27.15 1.96 -2 7 0 26.67 1.91 -2 7 0 26.05 2.02 -2 7 0 27.38 1.96 1 -7 0 316.50 22.21 -1 7 0 319.43 22.24 -1 7 0 316.62 22.21 0 -7 0 0.47 0.31 0 -7 0 0.27 0.39 0 -7 0 0.59 0.19 0 -7 0 0.35 0.14 0 7 0 0.32 0.21 0 7 0 0.36 0.18 0 7 0 -0.01 0.38 -1 -7 0 320.10 23.05 1 7 0 319.40 22.63 1 7 0 333.06 22.78 -2 -7 0 26.31 1.88 2 7 0 22.79 2.12 2 7 0 23.66 2.08 2 7 0 28.21 2.40 2 7 0 26.95 1.87 2 7 0 26.79 1.88 3 7 0 180.02 12.65 3 7 0 164.00 12.76 3 7 0 184.18 12.38 -4 -7 0 60.86 4.60 4 7 0 57.14 4.23 4 7 0 61.19 4.62 -5 -7 0 15.83 1.67 5 7 0 16.92 2.32 5 7 0 16.93 1.23 5 7 0 15.64 1.28 -6 -7 0 7.00 1.13 6 7 0 6.55 1.39 6 7 0 9.88 0.73 6 7 0 7.95 0.68 -7 -7 0 67.67 5.27 7 7 0 64.98 4.69 -8 -7 0 13.22 1.67 -9 -7 0 14.79 1.90 9 7 0 14.55 1.18 -10 -7 0 25.06 2.67 10 7 0 22.20 1.78 -11 -7 0 10.45 1.98 11 7 0 8.19 0.76 11 7 0 9.12 0.84 -12 -7 0 1.30 1.19 12 7 0 1.40 0.40 12 7 0 1.04 0.27 -13 -7 0 0.19 1.09 13 7 0 0.82 0.23 13 7 0 0.36 0.37 -14 -7 0 9.26 2.03 14 7 0 7.69 0.89 -15 -7 0 0.97 1.41 15 7 0 0.92 0.44 -16 -7 0 1.31 1.56 16 7 0 2.29 0.62 16 -8 0 1.04 0.54 16 -8 0 1.11 0.76 16 -8 0 2.10 1.42 -16 8 0 0.95 1.73 15 -8 0 2.57 0.82 15 -8 0 3.44 1.58 15 -8 0 3.56 0.70 -15 8 0 2.21 1.88 14 -8 0 0.52 1.13 14 -8 0 0.33 0.70 14 -8 0 0.47 0.46 -14 8 0 -0.04 1.69 13 -8 0 5.92 1.58 13 -8 0 5.36 0.74 13 -8 0 3.75 0.77 13 -8 0 4.88 0.87 -13 8 0 4.19 0.62 -13 8 0 2.69 1.89 12 -8 0 2.55 0.58 12 -8 0 2.10 0.68 12 -8 0 1.49 0.53 12 -8 0 4.76 1.45 -12 8 0 1.36 1.58 -12 8 0 2.14 0.52 11 -8 0 12.87 1.97 11 -8 0 10.63 1.16 11 -8 0 14.74 1.25 11 -8 0 12.52 1.30 -11 8 0 13.28 1.11 10 -8 0 0.06 0.38 10 -8 0 -0.55 0.85 10 -8 0 -0.39 0.35 10 -8 0 0.83 0.52 -10 8 0 -0.46 1.26 -10 8 0 -0.05 0.32 9 -8 0 11.75 1.07 9 -8 0 12.88 1.67 9 -8 0 12.44 1.15 9 -8 0 10.43 1.07 8 -8 0 14.21 1.23 8 -8 0 14.64 1.61 8 -8 0 14.36 1.28 8 -8 0 15.26 1.23 -8 8 0 13.90 1.19 7 -8 0 52.96 3.64 7 -8 0 51.35 3.67 7 -8 0 49.44 3.61 7 -8 0 50.01 3.90 -7 8 0 44.96 3.58 6 -8 0 29.33 2.29 6 -8 0 25.97 2.00 6 -8 0 26.60 2.03 6 -8 0 27.02 2.07 -6 8 0 25.21 1.97 5 -8 0 21.44 1.78 5 -8 0 24.37 1.78 5 -8 0 23.96 1.94 -5 8 0 23.39 1.80 -5 8 0 22.08 2.01 -5 8 0 24.23 1.71 -5 8 0 19.68 2.43 4 -8 0 203.12 13.56 4 -8 0 197.81 13.45 4 -8 0 189.87 13.46 -4 8 0 190.56 13.92 -4 8 0 184.10 13.39 -4 8 0 181.38 13.59 -4 8 0 191.29 13.44 3 -8 0 73.66 5.49 3 -8 0 79.47 5.58 3 -8 0 77.31 5.51 -3 8 0 75.94 5.49 -3 8 0 75.95 5.44 -3 8 0 80.58 5.84 -3 8 0 76.80 5.60 -2 8 0 460.23 32.12 1 -8 0 38.89 2.85 1 -8 0 35.09 2.83 1 -8 0 42.84 3.23 -1 8 0 40.43 2.85 -1 8 0 40.52 2.85 -1 8 0 38.91 2.89 0 -8 0 264.70 18.38 0 -8 0 264.32 18.69 0 -8 0 263.81 18.24 0 -8 0 249.62 18.29 0 8 0 269.12 18.67 0 8 0 253.19 18.29 0 8 0 264.64 18.30 -1 -8 0 34.71 2.79 -1 -8 0 45.61 3.31 1 8 0 38.00 2.76 1 8 0 37.91 2.80 1 8 0 39.67 2.93 1 8 0 42.09 3.24 2 8 0 452.62 33.00 2 8 0 485.71 33.34 2 8 0 471.85 32.78 3 8 0 74.17 4.91 3 8 0 65.97 5.29 3 8 0 66.47 5.18 -4 -8 0 185.95 12.98 4 8 0 165.99 13.15 4 8 0 182.48 12.58 4 8 0 181.04 12.95 -5 -8 0 24.98 2.20 5 8 0 24.29 1.74 5 8 0 24.61 2.47 5 8 0 20.80 1.79 -6 -8 0 25.24 2.46 6 8 0 26.64 1.96 6 8 0 27.98 1.99 -7 -8 0 41.33 3.69 7 8 0 46.49 3.18 -8 -8 0 16.77 1.89 8 8 0 14.04 1.15 -9 -8 0 8.65 1.45 9 8 0 8.43 0.73 -10 -8 0 1.02 1.03 10 8 0 0.57 0.30 10 8 0 0.01 0.24 10 8 0 0.32 0.19 -11 -8 0 11.89 2.05 11 8 0 9.36 1.01 11 8 0 13.61 0.97 -12 -8 0 3.04 1.46 12 8 0 2.92 0.51 12 8 0 2.75 0.38 -13 -8 0 5.73 1.83 13 8 0 4.58 0.62 13 8 0 3.99 0.43 -14 -8 0 0.50 1.15 14 8 0 0.39 0.38 -15 -8 0 3.21 1.74 15 8 0 2.75 0.57 -16 -8 0 2.97 1.74 16 8 0 1.00 0.59 15 -9 0 0.35 0.66 15 -9 0 -0.80 1.91 15 -9 0 -0.05 0.47 -15 9 0 0.34 1.91 14 -9 0 2.05 0.80 14 -9 0 2.08 0.57 14 -9 0 1.62 1.18 -14 9 0 0.00 1.80 13 -9 0 1.29 1.15 13 -9 0 2.11 0.56 13 -9 0 1.66 0.74 -13 9 0 2.63 0.56 -13 9 0 1.67 1.86 12 -9 0 0.26 0.45 12 -9 0 0.10 0.40 12 -9 0 -0.50 0.91 12 -9 0 0.06 0.53 -12 9 0 0.69 0.40 -12 9 0 0.49 1.50 11 -9 0 26.40 1.89 11 -9 0 24.38 2.01 11 -9 0 21.37 1.86 11 -9 0 25.27 2.50 -11 9 0 19.64 1.75 10 -9 0 1.21 0.58 10 -9 0 0.64 0.44 10 -9 0 1.55 0.47 10 -9 0 -0.56 0.81 -10 9 0 0.47 1.30 -10 9 0 1.04 0.38 9 -9 0 12.94 1.32 9 -9 0 14.47 1.27 9 -9 0 13.67 1.70 9 -9 0 16.61 1.29 8 -9 0 11.48 1.11 8 -9 0 11.92 1.16 8 -9 0 12.68 1.47 8 -9 0 13.85 1.12 -8 9 0 12.70 1.08 7 -9 0 58.98 4.61 7 -9 0 63.88 4.59 7 -9 0 68.33 4.87 -7 9 0 62.60 4.53 6 -9 0 51.05 3.82 6 -9 0 53.64 3.99 6 -9 0 53.13 3.80 -6 9 0 50.49 3.74 5 -9 0 18.29 1.45 5 -9 0 18.59 1.57 5 -9 0 16.82 1.42 -5 9 0 16.99 1.35 -5 9 0 17.81 1.71 -5 9 0 19.00 1.43 -5 9 0 15.22 2.08 4 -9 0 3.88 0.51 4 -9 0 3.63 0.54 4 -9 0 3.41 0.69 -4 9 0 3.14 0.71 -4 9 0 3.37 0.43 -4 9 0 3.13 0.51 -4 9 0 4.92 1.15 3 -9 0 272.22 18.97 3 -9 0 275.78 19.04 3 -9 0 274.67 18.99 -3 9 0 256.33 18.96 -3 9 0 271.12 18.91 -3 9 0 272.76 19.07 2 -9 0 3.49 0.48 2 -9 0 3.79 0.46 -2 9 0 3.98 0.49 -2 9 0 3.53 0.39 -2 9 0 4.17 0.48 -2 9 0 4.06 0.57 1 -9 0 92.94 7.13 1 -9 0 96.19 6.74 1 -9 0 93.78 6.74 -1 9 0 91.53 6.73 -1 9 0 100.27 6.80 -1 9 0 94.72 6.73 0 -9 0 0.33 0.15 0 -9 0 0.45 0.24 0 -9 0 0.32 0.34 0 -9 0 0.00 0.52 0 9 0 0.39 0.21 0 9 0 -0.24 0.44 0 9 0 0.53 0.26 -1 -9 0 92.41 6.59 -1 -9 0 91.69 7.07 1 9 0 92.59 6.59 1 9 0 87.96 6.54 1 9 0 100.40 6.73 1 9 0 93.77 7.05 -2 -9 0 2.52 0.67 -2 -9 0 4.39 0.44 2 9 0 2.83 0.84 2 9 0 4.15 0.41 2 9 0 3.90 0.76 2 9 0 3.90 0.41 3 9 0 240.66 19.24 3 9 0 290.33 19.67 3 9 0 272.24 18.92 3 9 0 269.28 18.93 3 9 0 281.46 19.24 4 9 0 3.16 0.79 4 9 0 3.09 0.39 4 9 0 2.93 1.17 -5 -9 0 15.99 1.68 5 9 0 16.66 1.20 5 9 0 14.33 1.30 5 9 0 14.83 1.69 -6 -9 0 50.07 4.07 6 9 0 49.92 3.56 6 9 0 48.96 3.59 -7 -9 0 61.90 5.05 7 9 0 61.42 4.48 7 9 0 64.89 4.49 -8 -9 0 12.95 1.71 8 9 0 12.06 0.99 -9 -9 0 14.38 1.90 9 9 0 15.59 1.19 -10 -9 0 0.85 1.00 10 9 0 0.85 0.29 10 9 0 1.02 0.34 -11 -9 0 23.96 2.71 11 9 0 22.59 1.77 11 9 0 22.43 1.71 -12 -9 0 0.43 1.00 12 9 0 0.80 0.33 12 9 0 -0.06 0.23 -13 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93.01 6.66 -5 10 0 86.95 7.22 -5 10 0 93.14 6.59 4 -10 0 17.26 1.32 4 -10 0 16.35 1.42 4 -10 0 15.81 1.33 -4 10 0 15.21 1.47 -4 10 0 15.26 1.23 -4 10 0 17.62 1.81 -4 10 0 15.04 1.30 3 -10 0 75.63 5.28 3 -10 0 74.94 5.36 3 -10 0 71.84 5.28 -3 10 0 73.96 5.27 -3 10 0 72.59 5.20 -3 10 0 71.80 5.37 2 -10 0 21.13 1.55 2 -10 0 17.62 1.51 -2 10 0 19.87 1.53 -2 10 0 19.64 1.45 -2 10 0 18.58 1.58 -2 10 0 19.80 1.52 1 -10 0 42.54 3.52 1 -10 0 43.25 3.16 1 -10 0 38.27 3.06 -1 10 0 43.07 3.07 -1 10 0 41.58 3.07 -1 10 0 43.38 3.13 0 -10 0 8.20 0.93 0 -10 0 8.98 0.81 0 -10 0 10.19 0.74 0 -10 0 7.98 1.27 0 10 0 10.39 0.84 0 10 0 9.45 0.81 0 10 0 8.63 1.23 -1 -10 0 38.28 3.02 -1 -10 0 45.43 3.61 1 10 0 45.42 3.58 1 10 0 45.64 3.19 1 10 0 39.38 2.97 1 10 0 40.45 3.02 -2 -10 0 16.28 1.38 2 10 0 19.14 1.35 2 10 0 17.42 1.64 2 10 0 17.52 1.37 2 10 0 19.12 1.99 -3 -10 0 70.74 5.16 3 10 0 76.87 5.97 3 10 0 74.47 5.17 3 10 0 66.80 5.47 3 10 0 72.77 5.56 3 10 0 75.40 5.17 4 10 0 15.86 1.19 4 10 0 16.67 1.21 4 10 0 12.35 1.56 4 10 0 16.30 2.05 4 10 0 14.38 1.84 5 10 0 82.26 7.07 5 10 0 94.41 6.36 -6 -10 0 18.55 1.96 6 10 0 19.29 1.38 6 10 0 16.21 1.44 -7 -10 0 6.08 1.12 7 10 0 6.46 0.65 7 10 0 6.49 0.60 -8 -10 0 4.27 1.19 8 10 0 4.42 0.50 -9 -10 0 0.08 0.78 9 10 0 1.00 0.29 -10 -10 0 43.30 3.78 10 10 0 34.05 2.87 10 10 0 41.25 2.85 -11 -10 0 4.10 1.55 11 10 0 4.45 0.50 11 10 0 4.24 0.58 11 10 0 4.46 0.47 -12 -10 0 11.04 1.93 12 10 0 10.19 0.96 12 10 0 10.48 0.87 -13 -10 0 2.55 1.33 13 10 0 1.87 0.33 13 10 0 2.06 0.46 -14 -10 0 3.58 1.65 14 10 0 4.13 0.63 -15 -10 0 8.30 2.07 15 10 0 7.87 0.90 15 -11 0 0.64 0.81 15 -11 0 0.26 0.54 15 -11 0 0.48 1.22 -15 11 0 -0.60 1.84 14 -11 0 2.31 1.33 14 -11 0 2.58 0.66 14 -11 0 3.05 0.84 -14 11 0 2.64 0.63 -14 11 0 0.61 1.95 13 -11 0 13.75 1.26 13 -11 0 10.36 1.35 13 -11 0 14.25 2.04 -13 11 0 12.70 1.16 12 -11 0 8.58 1.53 12 -11 0 7.19 0.91 12 -11 0 7.10 1.00 -12 11 0 2.48 2.05 -12 11 0 6.26 0.77 11 -11 0 8.88 1.14 11 -11 0 7.35 1.61 11 -11 0 7.96 0.95 -11 11 0 8.37 0.87 10 -11 0 8.59 0.97 10 -11 0 8.16 1.10 10 -11 0 9.16 1.59 9 -11 0 11.38 1.57 9 -11 0 12.20 1.18 9 -11 0 10.14 1.10 8 -11 0 12.04 1.11 8 -11 0 12.22 1.21 8 -11 0 11.02 1.46 -8 11 0 12.17 1.06 7 -11 0 6.65 0.72 7 -11 0 6.82 0.78 7 -11 0 6.87 0.98 -7 11 0 3.57 1.51 -7 11 0 6.05 0.64 6 -11 0 0.91 0.53 6 -11 0 1.02 0.43 6 -11 0 0.76 0.36 -6 11 0 1.46 0.33 -6 11 0 1.75 1.03 5 -11 0 111.78 7.89 5 -11 0 112.00 7.86 5 -11 0 109.86 7.97 -5 11 0 107.43 8.45 -5 11 0 109.26 7.78 4 -11 0 14.01 1.31 4 -11 0 14.81 1.27 4 -11 0 15.25 1.37 -4 11 0 15.65 1.74 -4 11 0 16.27 1.20 3 -11 0 21.62 1.70 3 -11 0 23.79 1.82 3 -11 0 23.41 1.75 -3 11 0 20.27 1.68 -3 11 0 21.82 1.81 -3 11 0 20.09 1.63 2 -11 0 26.74 2.37 2 -11 0 23.49 1.80 2 -11 0 21.61 1.78 -2 11 0 22.73 1.86 -2 11 0 21.97 1.79 -2 11 0 23.43 1.79 1 -11 0 25.97 2.58 1 -11 0 30.74 2.22 1 -11 0 26.57 2.09 -1 11 0 26.88 2.10 -1 11 0 28.62 2.17 -1 11 0 26.29 2.10 0 -11 0 1.86 0.59 0 -11 0 1.21 0.76 0 -11 0 1.50 0.27 0 -11 0 1.01 0.33 0 11 0 1.47 0.76 0 11 0 1.39 0.37 0 11 0 1.09 0.34 -1 -11 0 23.87 2.51 -1 -11 0 22.34 2.22 -1 -11 0 28.55 2.00 1 11 0 28.79 2.17 1 11 0 27.98 1.99 1 11 0 23.62 2.50 -2 -11 0 23.79 1.75 2 11 0 25.06 1.76 2 11 0 22.21 2.00 2 11 0 20.29 2.31 2 11 0 22.26 1.71 -3 -11 0 18.72 1.56 3 11 0 22.36 1.57 3 11 0 19.70 1.98 3 11 0 20.70 1.57 3 11 0 20.61 2.31 3 11 0 20.01 1.95 4 11 0 14.05 1.87 4 11 0 14.77 1.21 4 11 0 15.34 1.61 4 11 0 18.03 2.16 4 11 0 14.76 1.19 5 11 0 108.96 7.74 5 11 0 107.52 8.45 5 11 0 109.35 7.70 6 11 0 0.79 0.26 6 11 0 0.82 1.25 6 11 0 0.97 0.44 -7 -11 0 5.70 1.14 7 11 0 6.20 0.67 7 11 0 6.57 0.61 -8 -11 0 11.78 1.72 8 11 0 11.78 1.03 8 11 0 13.27 1.02 -9 -11 0 13.66 1.81 9 11 0 11.52 1.00 -10 -11 0 8.95 1.62 10 11 0 8.71 0.79 -11 -11 0 8.78 1.70 11 11 0 9.63 0.85 11 11 0 8.14 0.78 -12 -11 0 8.39 1.88 12 11 0 7.08 0.68 12 11 0 7.46 0.77 -13 -11 0 13.94 2.34 13 11 0 12.04 1.03 13 11 0 12.79 1.12 -14 -11 0 3.49 1.67 14 11 0 2.44 0.50 -15 -11 0 0.76 1.31 15 11 0 0.24 0.44 15 -12 0 2.52 0.69 -15 12 0 0.25 1.68 14 -12 0 4.71 0.95 14 -12 0 5.63 1.52 14 -12 0 6.24 0.87 -14 12 0 0.22 1.87 -14 12 0 4.05 0.72 13 -12 0 2.72 0.81 13 -12 0 2.50 1.19 13 -12 0 2.85 0.69 -13 12 0 1.48 2.00 -13 12 0 3.14 0.62 12 -12 0 10.70 1.79 12 -12 0 9.38 1.23 12 -12 0 9.05 1.03 -12 12 0 4.85 2.21 -12 12 0 10.06 0.96 11 -12 0 2.93 1.12 11 -12 0 4.68 0.86 11 -12 0 5.32 0.77 -11 12 0 5.15 0.66 -11 12 0 1.20 1.58 10 -12 0 6.05 0.86 10 -12 0 7.36 0.98 10 -12 0 6.11 1.30 9 -12 0 62.76 4.76 9 -12 0 60.95 4.67 9 -12 0 67.78 5.06 8 -12 0 16.36 1.55 8 -12 0 19.14 1.85 8 -12 0 17.23 1.52 -8 12 0 18.08 1.44 7 -12 0 3.95 0.65 7 -12 0 4.18 0.66 7 -12 0 3.88 0.83 -7 12 0 2.12 1.27 -7 12 0 3.90 0.53 6 -12 0 137.25 9.69 6 -12 0 133.74 9.82 6 -12 0 135.49 9.72 -6 12 0 137.71 9.61 5 -12 0 9.30 1.03 5 -12 0 8.83 0.90 5 -12 0 10.30 0.99 -5 12 0 9.68 0.83 -5 12 0 9.52 1.57 4 -12 0 52.24 3.98 4 -12 0 56.00 4.09 4 -12 0 55.38 4.02 -4 12 0 59.64 4.52 -4 12 0 50.00 3.90 3 -12 0 207.16 14.39 3 -12 0 202.72 14.37 -3 12 0 201.39 14.29 2 -12 0 74.75 5.33 2 -12 0 70.37 5.33 2 -12 0 80.13 5.95 -2 12 0 78.75 5.43 -2 12 0 71.27 5.32 -2 12 0 71.48 5.33 1 -12 0 95.77 7.12 1 -12 0 99.98 6.66 1 -12 0 92.17 6.43 1 -12 0 86.53 6.52 -1 12 0 93.05 6.61 -1 12 0 85.75 6.52 -1 12 0 87.42 6.53 0 -12 0 147.24 10.68 0 -12 0 151.05 10.43 0 -12 0 150.75 10.52 0 -12 0 150.84 11.14 0 12 0 142.18 10.52 0 12 0 151.39 10.52 -1 -12 0 94.65 7.33 -1 -12 0 96.25 6.67 1 12 0 87.03 7.21 1 12 0 92.24 6.66 1 12 0 95.81 6.82 -2 -12 0 76.43 5.32 2 12 0 70.26 5.27 2 12 0 75.16 5.54 2 12 0 75.82 5.32 2 12 0 74.48 5.99 -3 -12 0 209.63 14.88 3 12 0 211.33 15.71 3 12 0 217.32 15.30 3 12 0 209.73 14.88 3 12 0 222.62 15.23 3 12 0 200.78 14.86 4 12 0 54.05 3.97 4 12 0 64.98 5.08 4 12 0 53.22 3.96 4 12 0 53.18 4.51 5 12 0 9.76 0.87 5 12 0 8.66 1.67 5 12 0 8.05 1.72 5 12 0 9.14 0.81 6 12 0 136.30 9.29 6 12 0 137.83 10.28 6 12 0 122.28 9.37 7 12 0 3.36 1.66 7 12 0 3.56 0.61 7 12 0 4.47 0.50 -8 -12 0 16.66 1.99 8 12 0 18.38 1.34 8 12 0 16.60 1.35 8 12 0 12.17 2.32 -9 -12 0 62.60 5.29 9 12 0 61.96 4.47 -10 -12 0 8.12 1.55 10 12 0 6.47 0.68 -11 -12 0 4.50 1.55 11 12 0 3.89 0.51 11 12 0 4.49 0.58 -12 -12 0 9.21 1.90 12 12 0 12.67 0.96 12 12 0 11.11 1.04 -13 -12 0 3.57 1.55 13 12 0 2.98 0.53 13 12 0 1.70 0.38 -14 -12 0 5.61 1.94 14 12 0 4.84 0.68 -15 -12 0 2.56 1.51 15 12 0 2.82 0.60 15 -13 0 1.31 0.64 15 -13 0 0.71 1.13 15 -13 0 -0.06 0.79 -15 13 0 0.02 1.92 14 -13 0 11.05 1.45 14 -13 0 13.36 1.91 14 -13 0 10.39 1.20 -14 13 0 10.46 1.32 13 -13 0 2.54 0.69 13 -13 0 3.43 1.34 13 -13 0 4.26 1.01 -13 13 0 0.22 1.83 -13 13 0 3.86 0.68 12 -13 0 3.75 0.86 12 -13 0 4.29 0.76 12 -13 0 3.42 1.18 -12 13 0 0.73 1.61 -12 13 0 2.66 0.62 11 -13 0 0.51 0.47 11 -13 0 -0.19 0.90 11 -13 0 0.54 0.66 -11 13 0 0.45 1.63 10 -13 0 2.88 0.62 10 -13 0 3.52 1.12 10 -13 0 3.82 0.89 -10 13 0 0.31 1.44 9 -13 0 17.18 1.71 9 -13 0 21.92 2.03 9 -13 0 19.61 1.69 8 -13 0 16.36 1.65 8 -13 0 16.53 1.45 8 -13 0 14.20 1.35 -8 13 0 14.64 1.28 7 -13 0 1.99 0.51 7 -13 0 2.39 0.69 7 -13 0 1.90 0.62 -7 13 0 1.72 1.34 -7 13 0 2.20 0.45 6 -13 0 111.77 7.70 6 -13 0 107.68 7.66 6 -13 0 112.23 7.80 -6 13 0 98.03 8.38 -6 13 0 103.28 7.55 5 -13 0 6.35 0.75 5 -13 0 5.08 0.68 5 -13 0 6.45 0.83 -5 13 0 5.78 1.25 -5 13 0 5.65 0.60 4 -13 0 15.00 1.39 4 -13 0 14.94 1.32 4 -13 0 14.66 1.30 -4 13 0 14.89 1.19 -4 13 0 15.79 1.77 3 -13 0 80.83 5.95 3 -13 0 80.98 5.92 -3 13 0 84.54 5.84 2 -13 0 70.76 5.29 2 -13 0 75.29 5.29 2 -13 0 78.94 5.94 -2 13 0 69.74 5.27 1 -13 0 7.74 0.64 1 -13 0 7.31 0.77 1 -13 0 10.09 1.44 1 -13 0 8.31 0.93 -1 13 0 6.87 0.76 -1 13 0 8.04 0.84 0 -13 0 -0.34 0.25 0 -13 0 0.02 0.18 0 -13 0 -0.03 0.69 0 -13 0 -0.05 0.48 0 13 0 -0.23 0.29 0 13 0 0.15 0.30 -1 -13 0 6.35 1.05 -1 -13 0 7.17 0.74 -1 -13 0 8.02 1.43 1 13 0 8.39 0.78 1 13 0 8.11 0.77 1 13 0 8.38 1.37 -2 -13 0 78.25 5.31 2 13 0 69.63 5.99 2 13 0 80.01 5.55 2 13 0 68.63 5.24 2 13 0 72.55 5.30 -3 -13 0 92.07 6.07 3 13 0 83.19 6.91 3 13 0 79.53 6.02 3 13 0 81.61 6.05 3 13 0 87.62 6.38 4 13 0 15.21 1.29 4 13 0 16.97 2.26 4 13 0 16.78 1.90 4 13 0 16.51 1.29 5 13 0 6.54 1.58 5 13 0 5.90 0.62 5 13 0 6.20 0.68 5 13 0 6.14 1.60 6 13 0 114.34 8.08 6 13 0 114.26 9.34 6 13 0 112.89 9.03 7 13 0 2.22 1.49 7 13 0 2.68 0.62 7 13 0 1.72 0.39 8 13 0 11.80 2.29 8 13 0 15.13 1.18 8 13 0 13.68 1.20 -9 -13 0 21.03 2.34 9 13 0 14.09 2.52 9 13 0 19.23 1.50 9 13 0 19.25 1.51 -10 -13 0 4.79 1.33 10 13 0 1.32 1.39 10 13 0 2.50 0.48 -11 -13 0 0.29 0.88 11 13 0 0.65 0.34 11 13 0 0.02 0.28 -12 -13 0 4.68 1.48 12 13 0 4.68 0.53 12 13 0 3.27 0.56 12 13 0 2.75 0.49 -13 -13 0 2.78 1.39 13 13 0 1.88 0.38 13 13 0 2.87 0.52 -14 -13 0 9.33 2.23 14 13 0 10.83 1.01 -15 -13 0 -0.24 1.15 15 13 0 0.35 0.50 14 -14 0 3.48 0.97 14 -14 0 3.83 1.39 14 -14 0 3.77 0.81 -14 14 0 3.67 0.72 -14 14 0 1.39 1.89 13 -14 0 5.51 1.08 13 -14 0 3.13 1.34 13 -14 0 3.95 0.85 -13 14 0 0.75 2.04 -13 14 0 4.51 0.74 12 -14 0 2.60 0.71 12 -14 0 3.50 0.86 12 -14 0 2.34 1.05 -12 14 0 3.68 0.65 -12 14 0 0.35 1.84 11 -14 0 14.21 1.80 11 -14 0 14.69 1.39 11 -14 0 13.49 1.47 10 -14 0 1.69 0.61 10 -14 0 1.66 0.68 10 -14 0 1.54 0.92 -10 14 0 -0.85 1.63 9 -14 0 16.30 1.52 9 -14 0 13.57 1.39 9 -14 0 14.51 1.68 8 -14 0 36.38 2.85 8 -14 0 36.05 2.78 8 -14 0 35.51 2.99 -8 14 0 34.43 2.67 7 -14 0 2.93 0.64 7 -14 0 2.58 0.80 7 -14 0 3.48 0.67 -7 14 0 2.36 0.48 -7 14 0 1.33 1.25 6 -14 0 33.59 2.74 6 -14 0 36.35 2.62 6 -14 0 33.50 2.64 -6 14 0 33.46 2.50 -6 14 0 31.24 3.32 5 -14 0 54.54 4.02 5 -14 0 48.52 3.91 5 -14 0 53.79 3.90 -5 14 0 51.55 3.80 -5 14 0 55.14 4.58 4 -14 0 135.52 9.73 4 -14 0 135.22 9.70 -4 14 0 133.51 9.60 -4 14 0 140.45 10.23 3 -14 0 19.60 1.59 3 -14 0 20.35 1.60 3 -14 0 17.45 2.18 -3 14 0 18.37 1.45 2 -14 0 43.09 3.93 2 -14 0 41.62 3.33 -2 14 0 48.31 3.24 1 -14 0 34.97 2.52 1 -14 0 34.74 2.66 1 -14 0 35.30 3.19 1 -14 0 31.10 2.37 -1 14 0 30.90 2.48 0 -14 0 31.59 2.49 0 -14 0 34.32 3.22 0 -14 0 34.14 2.39 0 -14 0 31.71 2.71 0 14 0 33.73 2.50 -1 -14 0 26.07 2.54 -1 -14 0 33.97 3.08 1 14 0 31.16 2.98 1 14 0 32.72 2.32 -2 -14 0 38.93 2.93 2 14 0 45.04 3.77 2 14 0 38.56 2.92 2 14 0 38.68 2.86 -3 -14 0 19.11 1.48 3 14 0 19.23 1.83 3 14 0 18.17 1.42 3 14 0 16.83 1.44 3 14 0 17.97 2.24 4 14 0 156.77 10.28 4 14 0 129.78 9.70 4 14 0 140.23 10.80 4 14 0 127.48 9.70 5 14 0 60.09 4.68 5 14 0 50.70 3.84 5 14 0 50.17 3.86 5 14 0 55.26 5.02 6 14 0 35.37 3.83 6 14 0 31.83 2.53 6 14 0 38.76 3.58 7 14 0 3.76 1.66 7 14 0 1.54 1.44 7 14 0 2.95 0.48 7 14 0 3.27 0.70 8 14 0 31.14 2.40 8 14 0 32.23 2.36 8 14 0 29.18 3.68 9 14 0 13.21 1.08 9 14 0 10.65 2.44 9 14 0 11.46 1.06 10 14 0 1.13 0.37 10 14 0 -0.23 1.46 -11 -14 0 14.20 2.07 11 14 0 8.78 2.30 11 14 0 12.76 1.08 -12 -14 0 2.14 1.28 12 14 0 2.56 0.48 12 14 0 1.70 1.44 12 14 0 2.86 0.53 12 14 0 4.12 0.54 -13 -14 0 3.77 1.54 13 14 0 4.38 0.62 13 14 0 1.44 1.54 13 14 0 4.87 0.54 -14 -14 0 4.73 1.84 14 14 0 3.24 0.58 14 14 0 1.83 1.60 14 -15 0 0.39 0.86 14 -15 0 1.76 0.69 14 -15 0 -0.16 1.67 -14 15 0 1.55 0.57 -14 15 0 0.61 2.08 13 -15 0 1.89 1.21 13 -15 0 1.76 0.79 13 -15 0 3.09 0.73 -13 15 0 2.69 0.67 -13 15 0 -0.41 1.54 12 -15 0 2.30 1.15 12 -15 0 0.79 0.57 12 -15 0 1.68 0.79 -12 15 0 0.12 1.72 -12 15 0 1.65 0.54 11 -15 0 13.50 1.81 11 -15 0 12.46 1.30 11 -15 0 12.34 1.40 10 -15 0 1.42 0.93 10 -15 0 1.73 0.74 10 -15 0 1.60 0.61 -10 15 0 0.46 1.40 9 -15 0 40.39 3.12 9 -15 0 39.93 3.19 9 -15 0 40.42 3.41 8 -15 0 18.03 1.90 8 -15 0 17.80 1.69 8 -15 0 19.30 1.64 -8 15 0 19.54 1.54 7 -15 0 18.90 1.77 7 -15 0 21.42 1.88 7 -15 0 18.29 1.67 -7 15 0 17.38 2.69 -7 15 0 21.55 1.59 6 -15 0 12.97 1.21 6 -15 0 13.72 1.27 6 -15 0 13.89 1.42 -6 15 0 12.72 2.08 -6 15 0 12.23 1.09 5 -15 0 45.92 3.48 5 -15 0 46.59 3.60 5 -15 0 46.81 3.54 -5 15 0 44.68 3.37 -5 15 0 48.25 4.17 4 -15 0 2.31 0.56 4 -15 0 1.62 0.45 -4 15 0 1.70 0.90 -4 15 0 1.25 0.31 3 -15 0 221.22 15.45 3 -15 0 224.87 15.44 3 -15 0 221.68 16.19 -3 15 0 207.42 15.32 2 -15 0 22.67 1.81 2 -15 0 23.57 1.96 2 -15 0 18.58 2.37 -2 15 0 22.89 1.69 1 -15 0 61.57 5.26 1 -15 0 59.81 4.42 1 -15 0 62.63 4.72 1 -15 0 66.75 4.58 0 -15 0 -0.53 0.53 0 -15 0 -0.37 0.27 0 -15 0 0.11 0.55 0 -15 0 -0.21 0.20 -1 -15 0 58.00 5.05 -1 -15 0 62.35 4.28 -1 -15 0 49.48 4.51 1 15 0 59.66 4.26 1 15 0 64.87 5.04 -2 -15 0 23.52 1.81 2 15 0 26.44 2.08 2 15 0 21.34 1.79 2 15 0 17.72 2.38 -3 -15 0 212.92 15.50 3 15 0 213.70 16.42 3 15 0 211.30 15.49 3 15 0 215.03 15.45 3 15 0 247.03 15.86 4 15 0 3.73 1.10 4 15 0 2.04 0.46 4 15 0 2.61 1.20 4 15 0 2.99 0.46 5 15 0 53.78 4.22 5 15 0 44.23 3.44 5 15 0 49.04 4.66 5 15 0 44.93 3.47 6 15 0 11.59 1.05 6 15 0 12.85 2.23 6 15 0 13.15 2.06 7 15 0 18.43 1.49 7 15 0 16.75 1.65 7 15 0 24.52 2.99 7 15 0 18.97 2.82 8 15 0 18.13 1.42 8 15 0 16.17 1.50 8 15 0 18.51 2.74 9 15 0 36.66 2.72 9 15 0 36.94 2.72 9 15 0 33.62 3.92 10 15 0 1.56 0.41 10 15 0 0.18 1.59 11 15 0 12.20 1.02 11 15 0 7.56 2.28 12 15 0 0.67 1.41 12 15 0 1.32 0.39 12 15 0 1.37 0.55 13 15 0 1.68 1.58 13 15 0 3.11 0.55 13 15 0 3.87 0.56 14 15 0 1.05 0.40 14 15 0 -0.57 1.43 14 -16 0 0.67 1.21 14 -16 0 0.16 0.62 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30.41 3.21 -3 -4 10 29.98 2.43 2 4 -10 26.44 2.14 2 4 -10 22.76 2.08 -2 -4 10 25.64 2.74 1 4 -10 82.37 5.98 1 4 -10 79.68 5.85 1 4 -10 72.14 5.69 -1 -4 10 79.64 5.56 -1 -4 10 85.64 6.55 0 4 -10 11.45 1.22 0 4 -10 12.28 0.91 0 4 -10 8.99 1.45 0 4 -10 10.35 1.25 0 -4 10 11.92 0.91 0 -4 10 15.13 2.03 -1 4 -10 43.69 3.29 -1 4 -10 43.66 3.55 -1 4 -10 46.32 3.55 1 -4 10 48.39 3.29 -2 4 -10 26.09 2.43 -2 4 -10 25.89 2.45 2 -4 10 33.45 2.35 2 -4 10 30.64 2.21 -3 4 -10 4.78 0.93 3 -4 10 8.32 1.34 3 -4 10 8.26 0.79 3 -4 10 6.93 0.93 -4 4 -10 3.19 0.82 4 -4 10 2.76 0.91 4 -4 10 4.50 0.55 4 -4 10 5.17 0.69 5 -4 10 45.17 3.16 5 -4 10 41.93 3.08 5 -4 10 34.10 3.47 6 -4 10 5.67 1.41 6 -4 10 7.75 0.94 6 -4 10 5.75 0.90 7 -4 10 27.73 2.32 7 -4 10 25.70 2.25 8 -4 10 13.14 1.47 8 -4 10 15.84 1.65 9 -4 10 25.57 2.34 9 -4 10 21.95 1.96 9 -4 10 24.03 2.18 -10 4 -10 0.49 1.56 10 -4 10 1.98 0.61 10 -4 10 2.06 0.99 10 -4 10 1.38 0.76 -11 4 -10 6.14 2.58 11 -4 10 10.63 1.26 11 -4 10 8.30 1.06 11 -4 10 9.37 1.58 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-2 21 -0.40 0.97 -6 -2 21 1.84 0.94 -5 -2 21 1.79 0.92 -4 -2 21 1.78 0.92 -4 -2 21 0.73 1.50 -3 -2 21 10.82 2.46 -3 -2 21 6.15 1.27 -2 -2 21 1.26 0.91 -2 -2 21 2.06 1.75 -1 -2 21 -0.03 1.38 0 2 -21 0.55 0.87 0 -2 21 0.11 1.53 -1 2 -21 0.72 1.04 1 -2 21 1.01 1.69 1 -2 21 1.08 0.36 -2 2 -21 1.79 1.28 2 -2 21 0.83 0.43 2 -2 21 -1.26 1.33 -3 2 -21 1.52 1.34 3 -2 21 0.19 0.50 3 -2 21 0.28 1.77 -8 -1 21 1.87 0.99 -7 -1 21 1.50 0.92 -6 -1 21 3.53 1.00 -5 -1 21 0.53 0.87 -4 -1 21 3.82 1.85 -4 -1 21 3.17 1.05 -3 -1 21 2.10 1.70 -3 -1 21 4.78 1.14 -2 -1 21 7.22 1.28 -2 -1 21 8.40 2.31 -1 -1 21 1.37 1.46 0 1 -21 1.31 0.81 0 -1 21 -0.02 1.40 -1 1 -21 0.70 0.84 1 -1 21 0.54 1.51 1 -1 21 0.50 0.33 -2 1 -21 0.55 1.04 2 -1 21 0.65 0.44 2 -1 21 1.68 1.86 -3 1 -21 1.01 1.28 3 -1 21 -0.54 0.46 3 -1 21 -0.35 1.52 -8 0 21 1.54 0.84 -7 0 21 1.73 0.93 -6 0 21 3.03 1.00 -5 0 21 1.33 0.82 -4 0 21 1.69 0.92 -3 0 21 0.94 1.41 -3 0 21 -0.21 0.79 -2 0 21 0.48 1.32 -2 0 21 1.85 0.89 -1 0 21 14.15 2.73 0 0 -21 1.42 0.72 0 0 21 0.97 1.48 -1 0 -21 1.13 0.80 1 0 21 -0.47 1.41 1 0 21 0.65 0.36 -2 0 -21 0.20 0.92 2 0 21 -1.64 1.17 2 0 21 -0.41 0.40 -3 0 -21 0.64 1.06 3 0 21 -0.02 0.52 3 0 21 0.82 2.68 -8 1 21 0.23 0.82 -7 1 21 0.65 0.74 -6 1 21 3.88 1.10 -5 1 21 0.98 0.85 -4 1 21 3.28 0.99 -3 1 21 3.37 1.69 -3 1 21 6.26 1.19 -2 1 21 7.97 1.25 -2 1 21 4.88 1.94 -1 1 21 1.40 1.55 0 1 21 0.56 0.28 0 1 21 -0.85 1.30 -1 -1 -21 0.14 0.65 1 1 21 -0.24 0.33 1 1 21 -0.94 1.29 -2 -1 -21 1.29 0.89 2 1 21 1.63 1.75 2 1 21 0.43 0.46 -3 -1 -21 0.06 0.89 3 1 21 -0.26 0.51 3 1 21 -0.86 1.47 -8 2 21 2.38 0.93 -7 2 21 1.64 0.87 -6 2 21 1.48 0.82 -5 2 21 1.52 0.89 -4 2 21 1.26 0.85 -3 2 21 7.45 2.07 -3 2 21 4.77 1.14 -2 2 21 -0.24 1.27 -2 2 21 1.57 0.89 -1 2 21 0.23 1.40 0 2 21 0.38 0.27 0 2 21 -0.29 1.32 -1 -2 -21 2.03 0.83 1 2 21 1.30 1.51 1 2 21 1.24 0.43 -2 -2 -21 0.95 0.82 2 2 21 1.65 0.56 2 2 21 1.93 1.61 -3 -2 -21 0.83 0.92 3 2 21 0.44 1.57 3 2 21 1.46 0.65 -8 3 21 1.28 0.84 -7 3 21 0.64 0.80 -6 3 21 0.44 0.77 -5 3 21 0.87 0.82 -4 3 21 0.15 0.78 -3 3 21 3.08 1.29 -2 3 21 1.31 0.81 -2 3 21 2.41 1.47 -1 3 21 -0.29 1.14 0 3 21 2.09 0.42 0 3 21 1.33 1.45 -1 -3 -21 0.50 0.95 1 3 21 -0.34 1.24 1 3 21 -0.18 0.43 -2 -3 -21 3.10 1.03 2 3 21 2.30 0.67 2 3 21 1.41 1.63 -3 -3 -21 0.47 0.84 3 3 21 0.24 1.62 3 3 21 -0.66 0.60 -8 4 21 1.60 0.84 -7 4 21 2.09 0.87 -6 4 21 -0.86 0.70 -5 4 21 1.23 0.80 -4 4 21 3.47 0.94 -3 4 21 4.34 1.07 -2 4 21 7.51 1.24 -2 4 21 10.76 2.14 -1 4 21 2.87 1.50 0 4 21 0.20 0.38 0 4 21 0.08 1.15 1 4 21 0.98 1.36 1 4 21 -0.36 0.51 -2 -4 -21 0.87 0.76 2 4 21 0.25 0.64 2 4 21 -0.99 1.18 -3 -4 -21 1.54 0.99 3 4 21 1.67 1.72 3 4 21 0.50 0.73 -7 5 21 1.44 0.80 -6 5 21 -0.53 0.68 -5 5 21 0.48 0.77 -4 5 21 0.26 0.76 -3 5 21 5.81 1.10 -2 5 21 4.52 1.53 -2 5 21 4.72 1.05 -1 5 21 4.76 0.52 -1 5 21 4.88 1.66 0 5 21 7.84 2.00 0 5 21 7.37 0.86 1 5 21 -0.65 0.57 1 5 21 1.32 1.35 2 5 21 -1.04 0.64 2 5 21 0.90 1.46 -3 -5 -21 0.92 0.85 3 5 21 1.04 1.54 3 5 21 -0.78 0.72 -7 6 21 0.97 0.82 -6 6 21 1.62 0.81 -5 6 21 2.31 0.88 -4 6 21 -0.08 0.67 -3 6 21 2.25 0.85 -2 6 21 1.83 0.81 -1 6 21 3.25 1.41 -1 6 21 1.81 0.50 0 6 21 1.56 1.32 1 6 21 0.74 1.28 2 6 21 0.71 1.26 3 6 21 3.38 1.87 -7 7 21 0.35 0.78 -6 7 21 1.29 0.78 -5 7 21 1.75 0.81 -4 7 21 0.87 0.76 -3 7 21 4.72 1.02 -2 7 21 0.34 0.73 -1 7 21 0.91 0.77 -1 7 21 1.94 1.18 0 7 21 0.56 1.16 1 7 21 0.81 1.24 2 7 21 0.41 1.29 -6 8 21 0.56 0.72 -5 8 21 -0.10 0.68 -4 8 21 3.17 0.88 -3 8 21 4.10 0.95 -2 8 21 2.68 0.89 -1 8 21 0.78 1.63 -1 8 21 1.33 0.77 0 8 21 1.65 1.11 1 8 21 -0.01 1.11 2 8 21 -0.02 1.17 -6 9 21 3.03 0.91 -5 9 21 0.23 0.70 -4 9 21 2.13 0.80 -3 9 21 1.91 0.79 -2 9 21 1.91 0.83 -1 9 21 0.51 0.69 0 9 21 1.81 1.11 1 9 21 -0.44 0.91 -5 10 21 -0.45 0.68 -4 10 21 1.07 0.74 -3 10 21 0.24 0.68 -2 10 21 0.48 0.70 -1 10 21 0.62 0.69 -3 11 21 -0.33 0.63 -2 11 21 2.39 0.82 -1 11 21 2.72 0.81 3 7 -22 1.22 1.20 -4 -6 22 1.84 0.91 -3 -6 22 1.56 0.98 2 6 -22 2.06 1.23 -2 -6 22 1.26 0.86 1 6 -22 -0.61 0.96 -1 -6 22 -1.04 0.84 -5 -5 22 2.91 1.03 -4 -5 22 2.12 1.63 -4 -5 22 1.01 1.79 -3 -5 22 -0.67 1.55 2 5 -22 -0.65 0.83 -2 -5 22 -2.09 1.24 1 5 -22 1.87 1.01 -1 -5 22 1.27 2.18 -1 -5 22 0.80 1.01 0 5 -22 -0.88 0.89 -4 -4 22 1.89 2.30 -4 -4 22 2.85 1.14 -3 -4 22 0.39 0.80 -2 -4 22 1.96 1.32 -2 -4 22 0.80 1.97 -1 -4 22 0.16 1.78 0 4 -22 1.61 0.92 0 -4 22 0.59 1.76 -5 -3 22 0.53 0.80 -4 -3 22 1.27 0.84 -4 -3 22 1.56 1.75 -3 -3 22 4.36 2.15 -3 -3 22 6.48 1.19 -2 -3 22 1.12 1.77 -2 -3 22 0.27 0.84 -1 -3 22 5.40 3.87 0 -3 22 -0.91 1.54 1 -3 22 7.63 2.60 -6 -2 22 3.76 1.09 -5 -2 22 -0.21 0.75 -4 -2 22 -0.56 1.35 -4 -2 22 0.91 0.81 -3 -2 22 -0.67 1.33 -3 -2 22 1.45 0.86 -2 -2 22 3.14 1.97 -2 -2 22 5.28 1.20 -1 -2 22 -0.41 1.52 0 -2 22 0.57 2.04 1 -2 22 -1.26 1.50 -6 -1 22 0.90 0.90 -5 -1 22 0.83 0.89 -4 -1 22 -0.50 0.72 -3 -1 22 2.42 1.78 -3 -1 22 4.15 1.08 -2 -1 22 1.45 1.38 -2 -1 22 0.46 1.47 -1 -1 22 1.25 1.70 0 -1 22 -0.25 1.49 1 -1 22 0.57 3.04 -6 0 22 3.70 1.09 -5 0 22 4.91 1.20 -4 0 22 2.17 1.02 -3 0 22 3.15 1.05 -3 0 22 3.51 1.84 -2 0 22 8.57 2.48 -2 0 22 11.52 1.51 -1 0 22 1.61 1.67 0 0 22 0.87 1.75 1 0 22 0.03 1.54 -6 1 22 1.66 0.86 -5 1 22 1.76 0.96 -4 1 22 -0.23 0.83 -3 1 22 3.31 1.05 -3 1 22 2.76 1.79 -2 1 22 0.15 0.81 -2 1 22 -0.18 1.33 -1 1 22 1.04 1.54 0 1 22 1.15 1.56 1 1 22 0.33 1.63 -6 2 22 4.28 1.13 -5 2 22 0.37 0.77 -4 2 22 1.06 0.84 -3 2 22 0.62 1.39 -3 2 22 2.57 0.96 -2 2 22 4.18 1.85 -2 2 22 5.56 1.19 -1 2 22 -2.32 1.04 0 2 22 0.50 1.43 1 2 22 -0.83 1.11 -5 3 22 1.37 0.89 -4 3 22 2.19 0.94 -3 3 22 9.63 1.30 -2 3 22 0.72 1.34 -2 3 22 1.44 0.87 -1 3 22 7.86 2.13 0 3 22 0.90 1.41 1 3 22 6.34 2.19 1 3 22 6.03 0.76 -5 4 22 0.60 0.79 -4 4 22 2.42 0.92 -3 4 22 -0.37 0.75 -2 4 22 0.56 1.26 -2 4 22 0.51 0.81 -1 4 22 1.12 1.34 -1 4 22 1.34 0.87 0 4 22 0.74 1.35 -5 5 22 1.64 0.85 -4 5 22 1.01 0.84 -3 5 22 1.06 0.85 -2 5 22 0.85 1.26 -2 5 22 0.48 0.80 -1 5 22 2.12 1.36 -1 5 22 3.56 1.01 0 5 22 -1.56 1.00 -4 6 22 2.62 0.93 -3 6 22 0.51 0.76 -2 6 22 2.82 0.93 -1 6 22 1.15 1.26 -1 6 22 0.61 0.79 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 29243 _shelx_res_file ; TITL Eric_Au_1_a.res in P2(1) eric_au_1_a.res created by SHELXL-2019/3 at 11:35:51 on 07-Sep-2026 REM Old TITL Eric_Au_1 in P2(1) REM SHELXT solution in P2(1): R1 0.125, Rweak 0.040, Alpha 0.008 REM 1.584 for 14 systematic absences, Orientation as input REM Flack x = 0.494 ( 0.009 ) from 7147 Parsons' quotients REM Formula found by SHELXT: C91 Ag2 Al2 F103 N9 O13 CELL 0.71073 13.321 24.5685 17.8741 90 98.493 90 ZERR 4 0.0009 0.0016 0.0009 0 0.003 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC Ag Al C F N O UNIT 4 4 176 224 16 16 RIGU 0.01 0.01 F19B F20B F21B C18B SADI F19B C18B F19C C18C SADI F20B C18B F20C C18C SADI F21B C18B F21C C18C SADI F23B C22B F23C C22C SADI F24B C22B F24C C22C SADI F25B C22B F25C C22C SADI F27B C26B F27C C26C SADI F28B C26B F28C C26C SADI F29B C26B F29C C26C SADI O16B C17B O16B C17C SADI C17B C18B C17C C18C SADI C17B C22B C17C C22C SADI C17B C26B C17C C26C SADI 0.04 F19B F20B F19C F20C SADI 0.04 F19B F21B F19C F21C SADI 0.04 F19B C17B F19C C17C SADI 0.04 F20B F21B F20C F21C SADI 0.04 F20B C17B F20C C17C SADI 0.04 F21B C17B F21C C17C SADI 0.04 F23B F24B F23C F24C SADI 0.04 F23B F25B F23C F25C SADI 0.04 F23B C17B F23C C17C SADI 0.04 F24B F25B F24C F25C SADI 0.04 F24B C17B F24C C17C SADI 0.04 F25B C17B F25C C17C SADI 0.04 F27B F28B F27C F28C SADI 0.04 F27B F29B F27C F29C SADI 0.04 F27B C17B F27C C17C SADI 0.04 F28B F29B F28C F29C SADI 0.04 F28B C17B F28C C17C SADI 0.04 F29B C17B F29C C17C SADI 0.04 O16B C18B O16B C18C SADI 0.04 O16B C22B O16B C22C SADI 0.04 O16B C26B O16B C26C SADI 0.04 C18B C22B C18C C22C SADI 0.04 C18B C26B C18C C26C SADI 0.04 C22B C26B C22C C26C EADP C26C C26B EADP C17B C17C EADP C18C C18B EADP F21B F21C EADP F25C F25B ISOR 0.005 0.01 F28C F27B F27C EADP C22C C22B ISOR 0.005 0.01 F49A L.S. 5 PLAN 10 SIZE 0.122 0.193 0.217 TEMP -153.15 CONF LIST 6 MORE -1 fmap 2 acta TWIN -1 0 0 0 -1 0 0 0 -1 2 OMIT -8 0 4 OMIT -6 -4 7 OMIT -6 -1 -2 OMIT -6 -1 1 OMIT -6 1 1 OMIT -5 2 2 OMIT -4 0 2 OMIT -3 -1 0 OMIT -3 0 11 OMIT -3 3 2 OMIT -2 -7 -1 OMIT -2 -1 -4 OMIT -2 -1 2 OMIT -2 1 2 OMIT -2 2 2 OMIT -2 7 6 OMIT -1 -4 0 OMIT 0 -8 1 OMIT 0 8 1 OMIT 1 0 5 OMIT 1 1 0 OMIT 1 3 2 OMIT 2 -1 -2 OMIT 2 0 0 OMIT 2 0 1 OMIT 2 1 4 OMIT 3 -1 0 OMIT 3 0 0 OMIT 3 0 3 OMIT 3 0 5 OMIT 3 1 0 OMIT 4 0 2 OMIT 4 0 4 OMIT 4 0 6 OMIT 4 2 2 OMIT 4 2 3 OMIT 5 0 1 OMIT 5 0 7 OMIT 5 4 4 OMIT 6 -1 2 OMIT 6 0 0 OMIT 6 1 2 REM REM REM WGHT 0.068100 2.028400 BASF 0.49447 FVAR 0.08477 AG01 1 -0.265592 0.124135 0.182601 11.00000 0.03751 0.04287 = 0.04582 -0.00710 0.00091 0.00092 AG02 1 -0.753343 0.285045 0.681246 11.00000 0.03835 0.04105 = 0.04586 0.00928 0.00223 0.00227 AL1A 2 -0.132515 -0.185743 0.944052 11.00000 0.02565 0.02210 = 0.02061 -0.00138 0.00105 0.00388 AL1B 2 -0.364060 0.085741 0.573250 11.00000 0.02440 0.02072 = 0.02050 -0.00105 -0.00238 0.00086 F5B 4 -0.454115 -0.047931 0.759860 11.00000 0.05415 0.03479 = 0.05059 0.01084 0.00487 -0.00323 F6B 4 -0.488283 -0.034058 0.640918 11.00000 0.06404 0.03162 = 0.04516 -0.00292 -0.01600 -0.00071 F7B 4 -0.333871 -0.039066 0.692317 11.00000 0.05274 0.04019 = 0.05340 0.00638 0.00979 0.01595 F9B 4 -0.537629 0.111866 0.739854 11.00000 0.05366 0.04319 = 0.05361 -0.00922 0.02276 0.01168 F10B 4 -0.602998 0.033128 0.712035 11.00000 0.02966 0.05579 = 0.06139 0.00258 0.00338 -0.00253 F11B 4 -0.515523 0.046460 0.821307 11.00000 0.06457 0.06922 = 0.03696 0.00305 0.02831 -0.00317 F13B 4 -0.339511 0.107315 0.798251 11.00000 0.06078 0.05109 = 0.03441 -0.00758 0.00000 -0.01304 F14B 4 -0.246764 0.057018 0.737913 11.00000 0.02729 0.06721 = 0.04217 0.00620 -0.00409 -0.00095 F15B 4 -0.313012 0.023057 0.830343 11.00000 0.06285 0.06144 = 0.02959 0.01678 -0.01221 -0.01318 PART 1 F19B 4 -0.634800 0.054180 0.557664 10.75000 0.04260 0.05936 = 0.03399 0.00724 0.00340 -0.00922 F20B 4 -0.547076 0.010957 0.486765 10.75000 0.04077 0.03613 = 0.07014 0.01136 0.00857 0.00926 F21B 4 -0.694338 0.042166 0.441678 10.75000 0.04483 0.03459 = 0.03939 0.01390 -0.01233 -0.01329 F23B 4 -0.589496 0.201384 0.466901 10.75000 0.05059 0.02993 = 0.13116 0.01816 0.00531 0.00564 F24B 4 -0.588228 0.160494 0.572255 10.75000 0.06382 0.05677 = 0.07087 -0.02803 0.01250 0.00448 F25B 4 -0.714062 0.148294 0.483679 10.75000 0.03105 0.04310 = 0.09044 0.01314 0.01708 0.00463 F27B 4 -0.492220 0.146579 0.365539 10.75000 0.04404 0.09283 = 0.03948 0.02821 -0.00758 -0.02583 F28B 4 -0.534255 0.061887 0.354245 10.75000 0.09003 0.09122 = 0.03624 -0.01660 0.01881 0.00005 F29B 4 -0.648400 0.124064 0.346751 10.75000 0.04029 0.07771 = 0.04614 0.03450 -0.02087 -0.01204 PART 0 F33B 4 -0.131881 -0.005148 0.622196 11.00000 0.06450 0.07685 = 0.04527 -0.01032 -0.02191 0.02151 F34B 4 -0.085440 -0.047135 0.526879 11.00000 0.03978 0.05334 = 0.07995 -0.00271 0.01780 0.01845 F35B 4 -0.211387 -0.076300 0.576765 11.00000 0.06055 0.03873 = 0.06574 0.01837 0.02426 0.01572 F37B 4 -0.342718 0.000087 0.385959 11.00000 0.10490 0.07325 = 0.04160 -0.01940 -0.02744 0.03660 F38B 4 -0.237697 -0.066405 0.413877 11.00000 0.07371 0.04690 = 0.05679 -0.02431 0.01116 0.01580 F39B 4 -0.371123 -0.058536 0.467920 11.00000 0.04911 0.04641 = 0.09957 -0.03132 0.00746 -0.01005 F41B 4 -0.128143 0.027730 0.415418 11.00000 0.11062 0.05002 = 0.08704 -0.00227 0.07809 0.00976 F42B 4 -0.107986 0.071377 0.520586 11.00000 0.04951 0.04573 = 0.09369 -0.01829 0.03150 -0.01521 F43B 4 -0.238029 0.087625 0.437700 11.00000 0.10457 0.03647 = 0.05781 0.01570 0.03813 0.01536 F47B 4 -0.240523 0.271380 0.534620 11.00000 0.09187 0.03300 = 0.05485 -0.00042 0.01865 -0.01436 F48B 4 -0.272059 0.197530 0.471764 11.00000 0.09869 0.03952 = 0.03707 0.00409 -0.00248 -0.00372 F49B 4 -0.387438 0.231148 0.527404 11.00000 0.05686 0.03986 = 0.09740 0.00603 -0.00536 0.01332 F51B 4 -0.100565 0.241106 0.651319 11.00000 0.06262 0.05928 = 0.09211 -0.02241 -0.00923 -0.02875 F52B 4 -0.091714 0.188355 0.556538 11.00000 0.05072 0.06042 = 0.09540 -0.00469 0.02671 -0.00979 F53B 4 -0.090920 0.154920 0.667298 11.00000 0.05645 0.06998 = 0.08373 0.02157 -0.02532 -0.01101 F55B 4 -0.242322 0.194914 0.737811 11.00000 0.13912 0.08346 = 0.03684 -0.01207 0.01119 -0.05097 F56B 4 -0.390254 0.194894 0.670884 11.00000 0.07745 0.04954 = 0.09266 -0.02313 0.04620 -0.01311 F57B 4 -0.294717 0.265650 0.673355 11.00000 0.13783 0.03720 = 0.07241 -0.02650 0.04946 -0.02044 O2B 6 -0.424939 0.068522 0.648481 11.00000 0.02966 0.02799 = 0.02161 0.00179 0.00376 0.00890 O16B 6 -0.454838 0.108263 0.501332 11.00000 0.02940 0.04173 = 0.02745 0.00902 -0.00414 0.00173 O30B 6 -0.305842 0.027745 0.546473 11.00000 0.02931 0.02955 = 0.03352 -0.00497 0.01155 0.00164 O44B 6 -0.273769 0.134925 0.593379 11.00000 0.03608 0.03065 = 0.02889 -0.00553 0.00261 -0.00604 C3B 3 -0.423792 0.041548 0.714390 11.00000 0.03085 0.03202 = 0.01990 0.00130 0.00558 0.00284 C4B 3 -0.425796 -0.020570 0.702394 11.00000 0.03335 0.03746 = 0.03231 0.00792 -0.00652 0.00133 C8B 3 -0.521391 0.057819 0.747817 11.00000 0.05006 0.04545 = 0.02370 0.00090 0.00688 -0.00131 C12B 3 -0.328903 0.057219 0.770976 11.00000 0.03666 0.04227 = 0.02545 0.00321 -0.00585 -0.00118 PART 1 C17B 3 -0.554660 0.105996 0.470882 10.75000 0.02612 0.03638 = 0.01812 0.00845 -0.00234 0.00412 C18B 3 -0.608017 0.052342 0.487295 10.75000 0.03248 0.04067 = 0.03004 0.00796 -0.01273 -0.00532 C22B 3 -0.610840 0.155312 0.497147 10.75000 0.03725 0.03941 = 0.07511 -0.01053 -0.00143 0.00075 C26B 3 -0.560254 0.110027 0.383340 10.75000 0.03716 0.07539 = 0.03594 0.01135 -0.00613 -0.00392 PART 0 C31B 3 -0.239618 0.005427 0.504853 11.00000 0.03182 0.02677 = 0.02630 -0.00398 0.00726 0.00715 C32B 3 -0.165779 -0.031451 0.558786 11.00000 0.03865 0.04284 = 0.03631 -0.00113 0.00378 0.00763 C36B 3 -0.298796 -0.031410 0.443605 11.00000 0.05127 0.03394 = 0.04396 -0.01505 0.00385 0.01281 C40B 3 -0.179021 0.048671 0.469050 11.00000 0.05759 0.03962 = 0.05257 -0.00528 0.03447 0.01016 C45B 3 -0.248451 0.188171 0.605708 11.00000 0.04661 0.02835 = 0.03527 -0.00524 0.00115 -0.00828 C46B 3 -0.287288 0.222055 0.533079 11.00000 0.06044 0.02591 = 0.04666 0.00408 0.00729 0.00126 C50B 3 -0.132400 0.193439 0.620662 11.00000 0.05472 0.04063 = 0.06410 -0.00658 -0.01086 -0.01174 C54B 3 -0.297189 0.211893 0.671590 11.00000 0.08823 0.03863 = 0.06911 -0.01637 0.03477 -0.01976 F00S 4 -0.336504 0.419858 0.224632 11.00000 0.05529 0.04533 = 0.04016 -0.00932 0.00514 -0.00961 F1 4 -0.715385 0.138793 0.914300 11.00000 0.03152 0.05975 = 0.06208 0.00329 0.00001 -0.00724 F1A 4 -0.398913 0.077953 1.033199 11.00000 0.07817 0.05205 = 0.03679 0.00039 -0.01481 0.02362 F1B 4 -0.870496 -0.058687 0.607568 11.00000 0.04927 0.05161 = 0.07707 -0.02718 0.01682 -0.00152 F1C 4 -1.172196 0.562116 0.704322 11.00000 0.04883 0.07830 = 0.05266 -0.02416 -0.01455 0.02847 F1D 4 -0.321647 0.391294 0.372864 11.00000 0.04768 0.07266 = 0.04124 0.01084 0.01442 -0.00181 F1E 4 0.112146 0.332070 0.522282 11.00000 0.07228 0.03862 = 0.05686 0.00217 -0.02125 -0.01324 F1F 4 -0.368281 0.469643 0.088620 11.00000 0.04850 0.04243 = 0.06710 0.01463 0.01105 -0.01190 F1G 4 -0.685144 -0.151583 0.203161 11.00000 0.06027 0.07185 = 0.06094 0.01913 0.00289 -0.02105 F1H 4 0.190112 0.035944 -0.116382 11.00000 0.05852 0.04452 = 0.04433 -0.01020 0.02239 0.00046 F2 4 -0.603476 0.072417 1.015310 11.00000 0.07477 0.04722 = 0.05684 0.01220 0.00843 -0.01538 F2A 4 -0.305045 0.151782 0.955554 11.00000 0.03440 0.08355 = 0.04513 -0.00463 -0.00018 0.00624 F2B 4 -0.819281 -0.006499 0.739357 11.00000 0.05366 0.04287 = 0.04576 0.00121 0.00523 0.00159 F2C 4 -1.249422 0.461126 0.669658 11.00000 0.02771 0.08639 = 0.03922 0.00605 -0.00311 -0.00027 F2D 4 -0.493013 0.338045 0.314214 11.00000 0.07323 0.08326 = 0.02629 -0.00177 0.00261 -0.00692 F2E 4 -0.088074 0.352614 0.490870 11.00000 0.07723 0.03416 = 0.04950 0.00122 0.00266 0.00560 F2G 4 -0.764431 -0.052233 0.173653 11.00000 0.03089 0.08810 = 0.04016 0.00187 0.00418 -0.00135 F2H 4 0.227040 0.014315 0.032616 11.00000 0.02882 0.09927 = 0.05016 -0.00017 0.00638 0.01606 F3A 4 -0.415913 0.217025 0.853368 11.00000 0.04985 0.06172 = 0.03906 0.00383 0.01154 -0.00175 F3B 4 -0.807948 0.103274 0.741872 11.00000 0.05440 0.04709 = 0.03303 -0.00482 0.00355 -0.01111 F3C 4 -1.122063 0.376188 0.668256 11.00000 0.05860 0.04790 = 0.05778 0.01452 -0.00239 -0.01150 F3D 4 -0.625182 0.304593 0.406565 11.00000 0.06137 0.06960 = 0.04056 -0.00626 0.00255 -0.02096 F3E 4 -0.204777 0.290747 0.385474 11.00000 0.04337 0.05837 = 0.04757 0.00964 0.00281 0.00803 F3F 4 -0.328088 0.309971 0.231915 11.00000 0.04994 0.05017 = 0.03132 0.00858 -0.00072 -0.00092 F3G 4 -0.640616 0.036100 0.180641 11.00000 0.05007 0.05518 = 0.04606 -0.00192 -0.00567 0.01384 F3H 4 0.082536 0.036709 0.122409 11.00000 0.04117 0.09638 = 0.03716 0.01184 0.00772 0.02465 F5A 4 0.027800 -0.090834 0.960828 11.00000 0.04976 0.04773 = 0.03638 -0.01039 0.01190 -0.01133 F5C 4 -0.842838 0.491774 0.740572 11.00000 0.02711 0.07031 = 0.04996 0.00305 -0.00364 0.00045 F5D 4 -0.409027 0.374795 0.616356 11.00000 0.05423 0.07424 = 0.02879 -0.00939 0.00288 -0.01121 F5E 4 0.078746 0.185614 0.354895 11.00000 0.06156 0.04314 = 0.04490 0.00019 0.00750 0.00917 F5F 4 -0.385035 0.301290 -0.032789 11.00000 0.05712 0.06913 = 0.03237 -0.01314 0.00503 0.01318 F5G 4 -0.357503 -0.077496 0.245497 11.00000 0.02977 0.07283 = 0.04787 -0.01304 -0.00004 0.01226 F5H 4 -0.138742 0.092168 -0.091220 11.00000 0.05954 0.05954 = 0.05299 -0.01285 -0.02088 0.02813 F6A 4 0.122706 -0.068187 0.878534 11.00000 0.03658 0.05133 = 0.06105 0.00147 0.01664 -0.00900 F6C 4 -0.969492 0.577244 0.737459 11.00000 0.06579 0.05402 = 0.07071 -0.01699 -0.01657 -0.00258 F6D 4 -0.279581 0.410130 0.522248 11.00000 0.04476 0.08395 = 0.04622 -0.00770 0.00114 -0.01886 F6E 4 0.196662 0.250881 0.453705 11.00000 0.04272 0.05688 = 0.08158 0.00637 -0.01975 -0.00485 F6F 4 -0.387944 0.411448 -0.040098 11.00000 0.04605 0.06874 = 0.03708 0.02024 0.00813 0.00138 F6G 4 -0.482429 -0.165291 0.238667 11.00000 0.05951 0.05381 = 0.05748 0.01186 -0.00382 0.00856 F6H 4 0.007647 0.073455 -0.179561 11.00000 0.07801 0.06134 = 0.03016 0.00047 0.00010 0.01468 F7A 4 0.130647 -0.149787 0.923751 11.00000 0.03209 0.06532 = 0.07161 0.01829 -0.00439 0.00624 F9A 4 0.053706 -0.210053 0.805508 11.00000 0.05458 0.07080 = 0.07978 -0.02385 0.01491 0.02208 F10A 4 -0.034800 -0.163486 0.713675 11.00000 0.07083 0.09106 = 0.03320 -0.02159 0.01646 -0.00231 F11A 4 0.116155 -0.137543 0.762281 11.00000 0.04322 0.11270 = 0.06741 -0.02759 0.03107 -0.01302 F13A 4 -0.158242 -0.090719 0.756922 11.00000 0.02842 0.07259 = 0.05620 0.02284 -0.00239 0.00062 F14A 4 -0.015297 -0.049942 0.755734 11.00000 0.04811 0.09319 = 0.07619 0.04785 0.01060 -0.01246 F15A 4 -0.091546 -0.041047 0.852546 11.00000 0.05728 0.03487 = 0.08174 0.00108 0.01247 -0.00037 F18 4 -0.905021 0.107332 0.478241 11.00000 0.07313 0.10653 = 0.03992 0.01314 0.00309 -0.04560 F19A 4 -0.436907 -0.242256 0.838935 11.00000 0.03744 0.06413 = 0.07715 -0.01274 -0.00347 -0.00809 F20 4 -0.908410 -0.002762 0.476160 11.00000 0.06789 0.10746 = 0.03715 -0.02757 0.01930 -0.03501 F20A 4 -0.406017 -0.329500 0.833242 11.00000 0.07774 0.04965 = 0.07763 -0.02198 -0.00214 -0.03255 F21A 4 -0.381935 -0.287363 0.939551 11.00000 0.07796 0.07631 = 0.04841 0.00869 0.00807 -0.04241 F23A 4 -0.217894 -0.348839 0.925533 11.00000 0.13943 0.03419 = 0.07498 0.01022 -0.02935 0.00770 F24A 4 -0.213097 -0.352415 0.803329 11.00000 0.09831 0.06053 = 0.10540 -0.05915 -0.02525 0.02196 F25A 4 -0.101014 -0.308178 0.877472 11.00000 0.06473 0.07269 = 0.08974 -0.03806 -0.01907 0.02892 F27A 4 -0.294493 -0.192534 0.773839 11.00000 0.06818 0.03846 = 0.03924 0.00581 -0.01069 -0.01332 F28A 4 -0.171321 -0.246432 0.755395 11.00000 0.07500 0.09736 = 0.05311 -0.03423 0.02434 -0.02195 F29A 4 -0.328534 -0.270914 0.723740 11.00000 0.12031 0.06489 = 0.03582 -0.00327 -0.02071 -0.03504 F33A 4 -0.333643 -0.193732 1.048592 11.00000 0.06661 0.03864 = 0.05101 0.00888 0.02540 -0.00526 F34A 4 -0.265786 -0.141845 1.136631 11.00000 0.06217 0.06684 = 0.03141 0.00744 0.00734 0.01639 F35A 4 -0.412725 -0.121508 1.074632 11.00000 0.03700 0.06907 = 0.04199 0.00511 0.02114 0.00555 F37A 4 -0.401975 -0.143996 0.919574 11.00000 0.02964 0.04261 = 0.05352 -0.00957 0.00107 -0.00354 F38A 4 -0.405232 -0.057887 0.945243 11.00000 0.03722 0.04779 = 0.04604 0.00242 0.00699 0.02177 F39A 4 -0.293479 -0.090027 0.880980 11.00000 0.03433 0.05462 = 0.03046 0.01032 0.00515 0.00308 F41A 4 -0.147231 -0.059415 1.096400 11.00000 0.04662 0.04707 = 0.05302 -0.02206 -0.01001 0.00977 F42A 4 -0.208039 -0.021118 0.991977 11.00000 0.06628 0.02863 = 0.07300 -0.00154 0.02034 -0.01262 F43A 4 -0.299576 -0.029672 1.081809 11.00000 0.05510 0.03836 = 0.05919 -0.01520 0.01835 0.01548 F47A 4 0.099920 -0.201479 1.188057 11.00000 0.06704 0.07794 = 0.03479 -0.00709 -0.01565 0.01611 F48A 4 -0.044011 -0.165649 1.150413 11.00000 0.10189 0.09685 = 0.06056 -0.03604 -0.02067 0.04769 F49A 4 0.082758 -0.147033 1.096292 11.00000 0.18151 0.05602 = 0.05723 0.00256 -0.03128 -0.04500 F51A 4 0.180492 -0.232898 1.047525 11.00000 0.03607 0.07962 = 0.15455 0.02326 0.01076 0.00925 F52A 4 0.146276 -0.293619 1.118616 11.00000 0.10788 0.11135 = 0.06028 -0.00444 -0.03077 0.08247 F53A 4 0.088211 -0.300428 1.003021 11.00000 0.05503 0.07283 = 0.05579 -0.01977 -0.00567 0.03297 F55A 4 -0.077459 -0.317541 1.063217 11.00000 0.07583 0.06616 = 0.09096 -0.00255 0.01762 -0.02156 F56A 4 -0.035668 -0.285781 1.171299 11.00000 0.11579 0.08705 = 0.06388 0.04302 -0.01276 -0.00883 F57A 4 -0.158157 -0.250659 1.092751 11.00000 0.06547 0.08274 = 0.09694 0.04073 0.02767 0.01506 O2A 6 -0.088397 -0.158582 0.866137 11.00000 0.02830 0.03396 = 0.02384 -0.00399 -0.00225 0.00160 O16A 6 -0.227685 -0.231738 0.910547 11.00000 0.03595 0.02439 = 0.02826 -0.00415 -0.00177 -0.00183 O30A 6 -0.183425 -0.137235 0.997319 11.00000 0.02342 0.02926 = 0.02915 -0.00685 0.00468 0.00302 O44A 6 -0.029608 -0.213564 1.000386 11.00000 0.03258 0.03514 = 0.02317 -0.00401 -0.00377 0.01365 N1A 5 -0.674317 0.238293 0.780389 11.00000 0.04354 0.04382 = 0.03835 0.00310 -0.00271 0.00795 N1B 5 -0.845232 0.211883 0.617288 11.00000 0.03880 0.05498 = 0.06748 0.01114 -0.00661 -0.01913 N1C 5 -0.858140 0.351609 0.699818 11.00000 0.05665 0.05836 = 0.03745 0.01197 0.00067 0.02185 N1D 5 -0.643194 0.306789 0.601781 11.00000 0.05009 0.04023 = 0.03886 0.00346 0.01076 -0.00916 N1E 5 -0.177065 0.176277 0.274586 11.00000 0.05834 0.05378 = 0.04403 -0.00575 0.00094 -0.01357 N1F 5 -0.343961 0.199559 0.113249 11.00000 0.05084 0.04875 = 0.04242 -0.00484 0.00331 0.02118 N1G 5 -0.377584 0.062639 0.211666 11.00000 0.04662 0.06164 = 0.04168 -0.00173 0.00670 0.00033 N1H 5 -0.159351 0.090663 0.104700 11.00000 0.03649 0.03532 = 0.05958 -0.00071 0.00492 0.00183 C1 3 -0.454289 0.111685 0.984103 11.00000 0.04981 0.03687 = 0.02780 -0.00384 -0.00733 0.01381 C1C 3 -1.110797 0.519459 0.703210 11.00000 0.03641 0.05267 = 0.02622 -0.00858 0.00096 0.01574 C1D 3 -0.384823 0.373533 0.417903 11.00000 0.04664 0.03919 = 0.02773 0.00791 0.00920 0.00938 C1E 3 0.055032 0.301515 0.473250 11.00000 0.05760 0.03527 = 0.03436 0.00925 -0.01213 -0.01611 C1F 3 -0.363459 0.416101 0.091747 11.00000 0.02410 0.04014 = 0.04561 0.01346 0.00661 -0.00165 C1G 3 -0.624299 -0.108724 0.206280 11.00000 0.03918 0.06919 = 0.02726 0.00576 0.00366 -0.01468 C1H 3 0.119202 0.045091 -0.072984 11.00000 0.03040 0.03000 = 0.04178 -0.01133 0.00957 -0.00342 C2 3 -0.613845 0.141454 0.924084 11.00000 0.03038 0.03594 = 0.04209 -0.01042 0.00775 -0.00657 C2A 3 -0.406097 0.148243 0.944078 11.00000 0.03785 0.05169 = 0.03387 -0.00980 0.00216 0.00761 C2B 3 -0.839430 0.022002 0.676032 11.00000 0.02524 0.04607 = 0.03327 -0.00849 0.00310 -0.00195 C2C 3 -1.150366 0.468446 0.684830 11.00000 0.03102 0.05210 = 0.01964 0.00507 0.00340 0.00595 C2D 3 -0.471163 0.346572 0.389121 11.00000 0.04003 0.04284 = 0.02826 0.00010 -0.00128 0.00398 C2E 3 -0.047343 0.312561 0.455729 11.00000 0.06093 0.03049 = 0.03173 0.00844 0.00947 -0.00329 C2F 3 -0.349470 0.390429 0.162528 11.00000 0.02735 0.04546 = 0.03119 -0.00923 -0.00056 -0.00422 C2G 3 -0.664522 -0.057882 0.193112 11.00000 0.03506 0.07823 = 0.01924 0.00390 0.00413 0.00490 C2H 3 0.136776 0.035233 0.003897 11.00000 0.02871 0.04613 = 0.03550 -0.00391 0.00168 -0.00222 C3 3 -0.558606 0.108103 0.974078 11.00000 0.05732 0.02897 = 0.02934 -0.00635 0.00756 -0.00448 C3A 3 -0.018139 -0.127257 0.838010 11.00000 0.01811 0.04768 = 0.02394 0.00164 0.00394 0.00051 C3C 3 -1.083604 0.425470 0.685735 11.00000 0.04088 0.04607 = 0.03003 0.00934 -0.00316 0.00022 C3D 3 -0.538774 0.329146 0.436299 11.00000 0.05273 0.03423 = 0.03317 -0.00300 0.00203 -0.00835 C3E 3 -0.107397 0.280538 0.404010 11.00000 0.03926 0.03999 = 0.03001 0.00684 -0.00228 0.00223 C3F 3 -0.344511 0.334333 0.165524 11.00000 0.02781 0.04115 = 0.03000 0.00941 0.00606 -0.00121 C3G 3 -0.601146 -0.012834 0.193916 11.00000 0.03901 0.05211 = 0.01879 0.00403 0.00383 0.00761 C3H 3 0.065514 0.046516 0.047974 11.00000 0.02999 0.03863 = 0.03531 0.00260 0.00200 -0.00183 C4 3 -0.865308 -0.005395 0.608051 11.00000 0.02737 0.04237 = 0.04711 -0.01154 0.01048 -0.00512 C4A 3 0.067465 -0.107655 0.901295 11.00000 0.03709 0.03883 = 0.04464 -0.00060 0.00362 0.00255 C4C 3 -0.980183 0.432038 0.703191 11.00000 0.03419 0.04451 = 0.02593 0.01099 0.00402 0.00337 C4D 3 -0.517843 0.337488 0.513678 11.00000 0.04205 0.02477 = 0.03327 0.00157 0.01361 0.00512 C4E 3 -0.065438 0.236409 0.370628 11.00000 0.04213 0.03172 = 0.02926 0.00845 0.00395 -0.00697 C4F 3 -0.358428 0.303844 0.099305 11.00000 0.02228 0.04290 = 0.03576 -0.00176 0.00552 0.00330 C4G 3 -0.496947 -0.019152 0.213253 11.00000 0.04112 0.05800 = 0.01893 -0.00496 0.00821 0.00503 C4H 3 -0.029922 0.065820 0.017502 11.00000 0.02748 0.02418 = 0.03966 -0.00373 -0.00193 -0.00452 C5 3 -0.881993 0.079312 0.542551 11.00000 0.04399 0.07613 = 0.02779 0.00929 0.00090 -0.02679 C5C 3 -0.943219 0.484401 0.721944 11.00000 0.02927 0.05597 = 0.02277 0.00600 0.00388 0.00067 C5D 3 -0.429150 0.365597 0.542587 11.00000 0.04658 0.04190 = 0.02637 -0.00248 0.00677 -0.00331 C5E 3 0.037850 0.226644 0.387976 11.00000 0.04254 0.03699 = 0.03237 0.00848 -0.00211 0.00249 C5F 3 -0.371893 0.329542 0.029874 11.00000 0.02581 0.04934 = 0.03789 -0.00018 -0.00430 0.00800 C5G 3 -0.457394 -0.070604 0.227985 11.00000 0.02529 0.06058 = 0.02368 -0.00442 0.00576 0.00557 C5H 3 -0.049177 0.074621 -0.061482 11.00000 0.03505 0.02318 = 0.04083 -0.00955 -0.00574 -0.00071 C05L 3 -0.348893 0.245372 0.105047 11.00000 0.02730 0.04621 = 0.04257 -0.00164 0.00413 0.00836 C6 3 -0.885365 0.024308 0.541061 11.00000 0.02976 0.08230 = 0.04065 -0.02301 0.01569 -0.02414 C6C 3 -1.007330 0.527038 0.722121 11.00000 0.03507 0.05344 = 0.03276 -0.00823 -0.00545 0.00117 C6D 3 -0.362595 0.382760 0.495173 11.00000 0.03831 0.04035 = 0.04076 -0.00112 0.00791 -0.00132 C6E 3 0.098569 0.258659 0.439781 11.00000 0.05148 0.03132 = 0.04431 0.00996 -0.00948 -0.00723 C6F 3 -0.374934 0.386167 0.027096 11.00000 0.02579 0.06452 = 0.02961 0.01581 0.00289 -0.00141 C6G 3 -0.519833 -0.115718 0.224022 11.00000 0.03827 0.04511 = 0.03270 0.00787 0.00460 0.00662 C6H 3 0.022833 0.065267 -0.105823 11.00000 0.06702 0.02620 = 0.02937 -0.00112 0.00014 -0.00428 C7 3 -0.462175 0.181991 0.894132 11.00000 0.03078 0.04166 = 0.02285 -0.00631 0.00821 0.00295 C7A 3 -0.625635 0.212000 0.825718 11.00000 0.03807 0.03346 = 0.03768 -0.00184 0.00911 -0.00046 C7B 3 -0.852929 0.166367 0.613776 11.00000 0.03449 0.05637 = 0.04562 0.01226 0.00723 -0.01223 C7C 3 -0.912384 0.388093 0.702181 11.00000 0.04118 0.05511 = 0.03878 0.00934 0.01187 -0.00022 C7D 3 -0.587623 0.320244 0.562118 11.00000 0.04758 0.03097 = 0.03301 0.00487 -0.00278 0.00238 C7E 3 -0.127107 0.201985 0.317307 11.00000 0.05015 0.04218 = 0.02657 0.00979 0.00390 -0.00174 C7G 3 -0.430356 0.026722 0.212376 11.00000 0.03581 0.06183 = 0.02203 -0.01177 0.00650 -0.00364 C7H 3 -0.104181 0.079080 0.064538 11.00000 0.02237 0.03264 = 0.04567 -0.00492 -0.00191 -0.00051 C8 3 -0.568058 0.179359 0.880746 11.00000 0.03168 0.03402 = 0.03209 -0.00917 0.00026 0.00777 C8A 3 0.030923 -0.158366 0.779894 11.00000 0.03337 0.06374 = 0.05162 -0.00735 0.01310 -0.00216 C9 3 -0.855700 0.107509 0.609891 11.00000 0.03202 0.04148 = 0.03749 0.00490 0.00189 -0.01195 C12 3 -0.835157 0.077509 0.676854 11.00000 0.03077 0.04788 = 0.02795 -0.00451 0.00605 -0.00732 C12A 3 -0.071444 -0.075560 0.801983 11.00000 0.04045 0.04644 = 0.05790 0.00776 0.01468 -0.00453 C17A 3 -0.262599 -0.268073 0.856629 11.00000 0.04824 0.02695 = 0.03242 -0.00727 -0.00481 -0.00678 C18A 3 -0.372118 -0.282087 0.865716 11.00000 0.07313 0.04244 = 0.04253 -0.00806 0.00072 -0.02277 C22A 3 -0.197234 -0.319255 0.864063 11.00000 0.07802 0.05222 = 0.07611 -0.02945 -0.01482 0.01619 C26A 3 -0.263408 -0.243515 0.776454 11.00000 0.06654 0.05568 = 0.02694 -0.01483 -0.00178 -0.00927 C31A 3 -0.266566 -0.109922 1.011715 11.00000 0.02051 0.02715 = 0.03202 -0.00374 0.00514 0.00636 C32A 3 -0.322354 -0.142628 1.067523 11.00000 0.04152 0.04603 = 0.04296 -0.01155 0.01629 0.00174 C36A 3 -0.342685 -0.100410 0.938112 11.00000 0.03058 0.03740 = 0.03145 0.00187 0.00389 0.00323 C40A 3 -0.232100 -0.055139 1.047117 11.00000 0.03574 0.03131 = 0.05628 -0.01172 0.00414 0.00400 C45A 3 0.012796 -0.232707 1.068696 11.00000 0.03941 0.03279 = 0.02686 -0.00031 -0.00493 0.01188 C46A 3 0.041116 -0.185543 1.126165 11.00000 0.06909 0.05350 = 0.04111 -0.01544 -0.01393 0.02140 C50A 3 0.108315 -0.265908 1.056749 11.00000 0.04075 0.04651 = 0.05266 0.01328 -0.00816 0.02064 C54A 3 -0.062016 -0.270634 1.102032 11.00000 0.06212 0.04458 = 0.05722 0.02330 0.02583 0.02738 PART 2 C17C 3 -0.543998 0.109348 0.458397 10.25000 0.02612 0.03638 = 0.01812 0.00845 -0.00234 0.00412 C26C 3 -0.533812 0.133650 0.380573 10.25000 0.03716 0.07539 = 0.03594 0.01135 -0.00613 -0.00392 F29C 4 -0.609626 0.121291 0.327743 10.25000 0.06818 0.14739 = 0.03889 0.02405 -0.02990 -0.02114 F27C 4 -0.529003 0.188431 0.384466 10.25000 0.07429 0.06513 = 0.07903 0.01110 -0.01913 -0.00398 F28C 4 -0.448479 0.115302 0.354657 10.25000 0.08506 0.07849 = 0.04759 -0.01226 0.01348 0.02235 F21C 4 -0.684132 0.053852 0.427390 10.25000 0.04483 0.03459 = 0.03939 0.01390 -0.01233 -0.01329 C18C 3 -0.583196 0.050414 0.447283 10.25000 0.03248 0.04067 = 0.03004 0.00796 -0.01273 -0.00532 F20C 4 -0.545820 0.025134 0.393627 10.25000 0.10633 0.05978 = 0.05172 -0.01847 -0.01172 -0.00804 F19C 4 -0.559675 0.020719 0.510692 10.25000 0.06166 0.05275 = 0.08652 0.03349 -0.00191 0.00352 C22C 3 -0.616910 0.142773 0.500021 10.25000 0.03725 0.03941 = 0.07511 -0.01053 -0.00143 0.00075 F23C 4 -0.574834 0.187838 0.528750 10.25000 0.03562 0.03910 = 0.12514 0.00022 -0.01241 0.00366 F25C 4 -0.698391 0.157343 0.447389 10.25000 0.03105 0.04310 = 0.09044 0.01314 0.01708 0.00463 F24C 4 -0.637164 0.111704 0.558831 10.25000 0.04619 0.12863 = 0.12609 -0.08319 0.04935 -0.01875 HKLF 4 REM Eric_Au_1_a.res in P2(1) REM wR2 = 0.1367, GooF = S = 1.026, Restrained GooF = 1.030 for all data REM R1 = 0.0510 for 18810 Fo > 4sig(Fo) and 0.0711 for all 24108 data REM 2063 parameters refined using 80 restraints END WGHT 0.0681 2.0287 REM Highest difference peak 0.839, deepest hole -0.539, 1-sigma level 0.079 Q1 1 -0.1045 -0.2265 1.1419 11.00000 0.05 0.84 Q2 1 0.1595 -0.2422 0.9868 11.00000 0.05 0.83 Q3 1 -0.0028 -0.1415 1.1130 11.00000 0.05 0.78 Q4 1 -0.0137 -0.0925 0.7159 11.00000 0.05 0.75 Q5 1 0.1633 -0.1602 1.0897 11.00000 0.05 0.73 Q6 1 -0.1162 -0.2839 1.0605 11.00000 0.05 0.58 Q7 1 0.1223 -0.1885 0.8999 11.00000 0.05 0.57 Q8 1 0.1246 -0.1716 0.7914 11.00000 0.05 0.48 Q9 1 -0.1579 0.1690 0.7360 11.00000 0.05 0.48 Q10 1 0.0209 -0.2369 0.8344 11.00000 0.05 0.46 ; _shelx_res_checksum 54396 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ag Ag01 -0.26559(5) 0.12413(3) 0.18260(4) 0.04260(17) Uani d 1 . . Ag Ag02 -0.75334(5) 0.28504(3) 0.68125(4) 0.04215(17) Uani d 1 . . Al Al1A -0.13251(16) -0.18574(8) 0.94405(12) 0.0230(4) Uani d 1 . . Al Al1B -0.36406(15) 0.08574(8) 0.57325(12) 0.0224(4) Uani d 1 . . F F5B -0.4541(4) -0.0479(2) 0.7599(3) 0.0468(12) Uani d 1 . . F F6B -0.4883(4) -0.03406(19) 0.6409(3) 0.0494(13) Uani d 1 . . F F7B -0.3339(4) -0.0391(2) 0.6923(3) 0.0486(12) Uani d 1 . . F F9B -0.5376(4) 0.1119(2) 0.7399(3) 0.0487(13) Uani d 1 . . F F10B -0.6030(4) 0.0331(2) 0.7120(3) 0.0493(13) Uani d 1 . . F F11B -0.5155(4) 0.0465(2) 0.8213(3) 0.0548(14) Uani d 1 . . F F13B -0.3395(4) 0.1073(2) 0.7983(3) 0.0495(13) Uani d 1 . . F F14B -0.2468(3) 0.0570(2) 0.7379(3) 0.0465(12) Uani d 1 . . F F15B -0.3130(4) 0.0231(2) 0.8303(3) 0.0532(13) Uani d 1 . . F F19B -0.6348(5) 0.0542(3) 0.5577(4) 0.0455(16) Uani d 0.75 A 1 F F20B -0.5471(14) 0.0110(6) 0.4868(8) 0.049(3) Uani d 0.75 A 1 F F21B -0.6943(6) 0.0422(4) 0.4417(6) 0.041(2) Uani d 0.75 A 1 F F23B -0.5895(6) 0.2014(3) 0.4669(7) 0.071(3) Uani d 0.75 A 1 F F24B -0.5882(7) 0.1605(4) 0.5723(5) 0.064(2) Uani d 0.75 A 1 F F25B -0.7141(5) 0.1483(3) 0.4837(5) 0.054(2) Uani d 0.75 A 1 F F27B -0.4922(6) 0.1466(4) 0.3655(4) 0.060(2) Uani d 0.75 A 1 F F28B -0.5343(7) 0.0619(4) 0.3542(5) 0.072(2) Uani d 0.75 A 1 F F29B -0.6484(7) 0.1241(5) 0.3468(6) 0.057(3) Uani d 0.75 A 1 F F33B -0.1319(5) -0.0051(3) 0.6222(3) 0.0652(17) Uani d 1 . . F F34B -0.0854(4) -0.0471(2) 0.5269(4) 0.0568(15) Uani d 1 . . F F35B -0.2114(4) -0.0763(2) 0.5768(3) 0.0535(14) Uani d 1 . . F F37B -0.3427(6) 0.0001(3) 0.3860(3) 0.077(2) Uani d 1 . . F F38B -0.2377(5) -0.0664(2) 0.4139(3) 0.0590(15) Uani d 1 . . F F39B -0.3711(4) -0.0585(2) 0.4679(4) 0.0654(17) Uani d 1 . . F F41B -0.1281(6) 0.0277(2) 0.4154(4) 0.076(2) Uani d 1 . . F F42B -0.1080(4) 0.0714(2) 0.5206(4) 0.0609(16) Uani d 1 . . F F43B -0.2380(5) 0.0876(2) 0.4377(3) 0.0636(17) Uani d 1 . . F F47B -0.2405(5) 0.2714(2) 0.5346(3) 0.0591(15) Uani d 1 . . F F48B -0.2721(5) 0.1975(2) 0.4718(3) 0.0597(15) Uani d 1 . . F F49B -0.3874(5) 0.2311(2) 0.5274(4) 0.0664(17) Uani d 1 . . F F51B -0.1006(5) 0.2411(3) 0.6513(4) 0.0734(19) Uani d 1 . . F F52B -0.0917(5) 0.1884(3) 0.5565(4) 0.0672(18) Uani d 1 . . F F53B -0.0909(5) 0.1549(3) 0.6673(4) 0.074(2) Uani d 1 . . F F55B -0.2423(7) 0.1949(3) 0.7378(3) 0.087(2) Uani d 1 . . F F56B -0.3903(5) 0.1949(2) 0.6709(4) 0.0698(18) Uani d 1 . . F F57B -0.2947(7) 0.2656(2) 0.6734(4) 0.079(2) Uani d 1 . . O O2B -0.4249(4) 0.0685(2) 0.6485(3) 0.0264(11) Uani d 1 . . O O16B -0.4548(4) 0.1083(2) 0.5013(3) 0.0337(12) Uani d 1 . . O O30B -0.3058(4) 0.0277(2) 0.5465(3) 0.0301(11) Uani d 1 . . O O44B -0.2738(4) 0.1349(2) 0.5934(3) 0.0321(12) Uani d 1 . . C C3B -0.4238(5) 0.0415(3) 0.7144(4) 0.0274(15) Uani d 1 . . C C4B -0.4258(6) -0.0206(3) 0.7024(5) 0.0355(18) Uani d 1 . . C C8B -0.5214(7) 0.0578(4) 0.7478(4) 0.0396(19) Uani d 1 . . C C12B -0.3289(6) 0.0572(3) 0.7710(4) 0.0358(17) Uani d 1 . . C C17B -0.5547(7) 0.1060(4) 0.4709(5) 0.0274(19) Uani d 0.75 A 1 C C18B -0.6080(8) 0.0523(5) 0.4873(6) 0.036(2) Uani d 0.75 A 1 C C22B -0.6108(9) 0.1553(5) 0.4971(9) 0.052(3) Uani d 0.75 A 1 C C26B -0.5603(10) 0.1100(6) 0.3833(7) 0.051(4) Uani d 0.75 A 1 C C31B -0.2396(6) 0.0054(3) 0.5049(4) 0.0280(15) Uani d 1 . . C C32B -0.1658(6) -0.0315(4) 0.5588(5) 0.0394(18) Uani d 1 . . C C36B -0.2988(7) -0.0314(4) 0.4436(5) 0.043(2) Uani d 1 . . C C40B -0.1790(8) 0.0487(4) 0.4691(5) 0.047(2) Uani d 1 . . C C45B -0.2485(6) 0.1882(3) 0.6057(5) 0.0372(18) Uani d 1 . . C C46B -0.2873(7) 0.2221(3) 0.5331(5) 0.044(2) Uani d 1 . . C C50B -0.1324(8) 0.1934(4) 0.6207(7) 0.055(3) Uani d 1 . . C C54B -0.2972(10) 0.2119(4) 0.6716(7) 0.063(3) Uani d 1 . . F F00S -0.3365(4) 0.4199(2) 0.2246(3) 0.0471(12) Uani d 1 . . F F1 -0.7154(4) 0.1388(2) 0.9143(3) 0.0518(13) Uani d 1 . . F F1A -0.3989(5) 0.0780(2) 1.0332(3) 0.0580(16) Uani d 1 . . F F1B -0.8705(4) -0.0587(2) 0.6076(4) 0.0586(15) Uani d 1 . . F F1C -1.1722(4) 0.5621(3) 0.7043(3) 0.0621(17) Uani d 1 . . F F1D -0.3216(4) 0.3913(2) 0.3729(3) 0.0531(14) Uani d 1 . . F F1E 0.1121(5) 0.3321(2) 0.5223(3) 0.0590(15) Uani d 1 . . F F1F -0.3683(4) 0.4696(2) 0.0886(3) 0.0524(14) Uani d 1 . . F F1G -0.6851(5) -0.1516(3) 0.2032(4) 0.0650(17) Uani d 1 . . F F1H 0.1901(4) 0.0359(2) -0.1164(3) 0.0476(13) Uani d 1 . . F F2 -0.6035(5) 0.0724(2) 1.0153(3) 0.0597(15) Uani d 1 . . F F2A -0.3050(4) 0.1518(3) 0.9556(3) 0.0550(14) Uani d 1 . . F F2B -0.8193(4) -0.0065(2) 0.7394(3) 0.0476(12) Uani d 1 . . F F2C -1.2494(3) 0.4611(3) 0.6697(3) 0.0519(14) Uani d 1 . . F F2D -0.4930(5) 0.3380(3) 0.3142(3) 0.0614(16) Uani d 1 . . F F2E -0.0881(5) 0.3526(2) 0.4909(3) 0.0543(14) Uani d 1 . . F F2G -0.7644(4) -0.0522(3) 0.1737(3) 0.0532(14) Uani d 1 . . F F2H 0.2270(4) 0.0143(3) 0.0326(3) 0.0594(16) Uani d 1 . . F F3A -0.4159(4) 0.2170(2) 0.8534(3) 0.0497(13) Uani d 1 . . F F3B -0.8079(4) 0.1033(2) 0.7419(3) 0.0451(12) Uani d 1 . . F F3C -1.1221(4) 0.3762(2) 0.6683(3) 0.0559(14) Uani d 1 . . F F3D -0.6252(4) 0.3046(3) 0.4066(3) 0.0577(15) Uani d 1 . . F F3E -0.2048(4) 0.2907(2) 0.3855(3) 0.0502(12) Uani d 1 . . F F3F -0.3281(4) 0.3100(2) 0.2319(3) 0.0445(12) Uani d 1 . . F F3G -0.6406(4) 0.0361(2) 0.1806(3) 0.0517(13) Uani d 1 . . F F3H 0.0825(4) 0.0367(3) 0.1224(3) 0.0580(16) Uani d 1 . . F F5A 0.0278(4) -0.0908(2) 0.9608(3) 0.0441(11) Uani d 1 . . F F5C -0.8428(4) 0.4918(3) 0.7406(3) 0.0501(13) Uani d 1 . . F F5D -0.4090(4) 0.3748(2) 0.6164(3) 0.0527(14) Uani d 1 . . F F5E 0.0787(4) 0.1856(2) 0.3549(3) 0.0499(13) Uani d 1 . . F F5F -0.3850(4) 0.3013(2) -0.0328(3) 0.0530(14) Uani d 1 . . F F5G -0.3575(4) -0.0775(2) 0.2455(3) 0.0507(14) Uani d 1 . . F F5H -0.1387(4) 0.0922(2) -0.0912(3) 0.0603(16) Uani d 1 . . F F6A 0.1227(4) -0.0682(2) 0.8785(3) 0.0487(12) Uani d 1 . . F F6C -0.9695(5) 0.5772(3) 0.7375(4) 0.0662(17) Uani d 1 . . F F6D -0.2796(4) 0.4101(3) 0.5222(3) 0.0589(15) Uani d 1 . . F F6E 0.1967(4) 0.2509(3) 0.4537(4) 0.0633(16) Uani d 1 . . F F6F -0.3879(4) 0.4114(2) -0.0401(3) 0.0504(13) Uani d 1 . . F F6G -0.4824(4) -0.1653(2) 0.2387(3) 0.0582(15) Uani d 1 . . F F6H 0.0076(5) 0.0735(2) -0.1796(3) 0.0573(15) Uani d 1 . . F F7A 0.1306(4) -0.1498(2) 0.9238(3) 0.0576(15) Uani d 1 . . F F9A 0.0537(4) -0.2101(3) 0.8055(4) 0.0679(17) Uani d 1 . . F F10A -0.0348(5) -0.1635(3) 0.7137(3) 0.0641(16) Uani d 1 . . F F11A 0.1162(4) -0.1375(3) 0.7623(4) 0.0721(19) Uani d 1 . . F F13A -0.1582(4) -0.0907(2) 0.7569(3) 0.0533(14) Uani d 1 . . F F14A -0.0153(4) -0.0499(3) 0.7557(4) 0.072(2) Uani d 1 . . F F15A -0.0915(4) -0.0410(2) 0.8525(4) 0.0577(14) Uani d 1 . . F F18 -0.9050(5) 0.1073(3) 0.4782(3) 0.074(2) Uani d 1 . . F F19A -0.4369(4) -0.2423(3) 0.8389(4) 0.0608(16) Uani d 1 . . F F20 -0.9084(5) -0.0028(3) 0.4762(3) 0.0697(19) Uani d 1 . . F F20A -0.4060(5) -0.3295(3) 0.8332(4) 0.0697(18) Uani d 1 . . F F21A -0.3819(5) -0.2874(3) 0.9396(3) 0.0677(18) Uani d 1 . . F F23A -0.2179(7) -0.3488(2) 0.9255(4) 0.087(2) Uani d 1 . . F F24A -0.2131(6) -0.3524(3) 0.8033(5) 0.092(3) Uani d 1 . . F F25A -0.1010(5) -0.3082(3) 0.8775(4) 0.079(2) Uani d 1 . . F F27A -0.2945(4) -0.1925(2) 0.7738(3) 0.0505(13) Uani d 1 . . F F28A -0.1713(5) -0.2464(3) 0.7554(3) 0.0737(19) Uani d 1 . . F F29A -0.3285(6) -0.2709(3) 0.7237(3) 0.077(2) Uani d 1 . . F F33A -0.3336(4) -0.1937(2) 1.0486(3) 0.0504(13) Uani d 1 . . F F34A -0.2658(4) -0.1418(2) 1.1366(3) 0.0534(13) Uani d 1 . . F F35A -0.4127(4) -0.1215(2) 1.0746(3) 0.0478(13) Uani d 1 . . F F37A -0.4020(3) -0.1440(2) 0.9196(3) 0.0424(11) Uani d 1 . . F F38A -0.4052(4) -0.0579(2) 0.9452(3) 0.0436(12) Uani d 1 . . F F39A -0.2935(3) -0.0900(2) 0.8810(2) 0.0398(11) Uani d 1 . . F F41A -0.1472(4) -0.0594(2) 1.0964(3) 0.0507(13) Uani d 1 . . F F42A -0.2080(4) -0.02112(19) 0.9920(3) 0.0550(14) Uani d 1 . . F F43A -0.2996(4) -0.0297(2) 1.0818(3) 0.0499(13) Uani d 1 . . F F47A 0.0999(5) -0.2015(3) 1.1881(3) 0.0623(16) Uani d 1 . . F F48A -0.0440(6) -0.1656(3) 1.1504(4) 0.090(2) Uani d 1 . . F F49A 0.0828(8) -0.1470(3) 1.0963(4) 0.103(3) Uani d 1 . . F F51A 0.1805(5) -0.2329(3) 1.0475(5) 0.090(3) Uani d 1 . . F F52A 0.1463(6) -0.2936(3) 1.1186(4) 0.098(3) Uani d 1 . . F F53A 0.0882(4) -0.3004(3) 1.0030(3) 0.0626(17) Uani d 1 . . F F55A -0.0775(5) -0.3175(3) 1.0632(4) 0.0771(19) Uani d 1 . . F F56A -0.0357(6) -0.2858(3) 1.1713(4) 0.092(2) Uani d 1 . . F F57A -0.1582(5) -0.2507(3) 1.0928(4) 0.080(2) Uani d 1 . . O O2A -0.0884(4) -0.1586(2) 0.8661(3) 0.0293(11) Uani d 1 . . O O16A -0.2277(4) -0.2317(2) 0.9105(3) 0.0302(11) Uani d 1 . . O O30A -0.1834(3) -0.1372(2) 0.9973(3) 0.0272(10) Uani d 1 . . O O44A -0.0296(4) -0.2136(2) 1.0004(3) 0.0311(11) Uani d 1 . . N N1A -0.6743(6) 0.2383(3) 0.7804(4) 0.0428(17) Uani d 1 . . N N1B -0.8452(6) 0.2119(4) 0.6173(5) 0.055(2) Uani d 1 . . N N1C -0.8581(6) 0.3516(4) 0.6998(4) 0.051(2) Uani d 1 . . N N1D -0.6432(6) 0.3068(3) 0.6018(4) 0.0426(17) Uani d 1 . . N N1E -0.1771(7) 0.1763(4) 0.2746(5) 0.053(2) Uani d 1 . . N N1F -0.3440(6) 0.1996(3) 0.1132(5) 0.0477(19) Uani d 1 . . N N1G -0.3776(6) 0.0626(4) 0.2117(4) 0.0500(19) Uani d 1 . . N N1H -0.1594(6) 0.0907(3) 0.1047(5) 0.0440(18) Uani d 1 . . C C1 -0.4543(7) 0.1117(3) 0.9841(5) 0.039(2) Uani d 1 . . C C1C -1.1108(6) 0.5195(4) 0.7032(5) 0.039(2) Uani d 1 . . C C1D -0.3848(7) 0.3735(4) 0.4179(5) 0.0375(19) Uani d 1 . . C C1E 0.0550(7) 0.3015(4) 0.4732(5) 0.044(2) Uani d 1 . . C C1F -0.3635(6) 0.4161(4) 0.0917(5) 0.0365(19) Uani d 1 . . C C1G -0.6243(7) -0.1087(4) 0.2063(5) 0.045(2) Uani d 1 . . C C1H 0.1192(6) 0.0451(3) -0.0730(5) 0.0336(18) Uani d 1 . . C C2 -0.6138(6) 0.1415(3) 0.9241(5) 0.0359(18) Uani d 1 . . C C2A -0.4061(7) 0.1482(4) 0.9441(5) 0.041(2) Uani d 1 . . C C2B -0.8394(6) 0.0220(4) 0.6760(5) 0.0350(18) Uani d 1 . . C C2C -1.1504(6) 0.4684(4) 0.6848(4) 0.0343(18) Uani d 1 . . C C2D -0.4712(7) 0.3466(4) 0.3891(5) 0.0377(19) Uani d 1 . . C C2E -0.0473(7) 0.3126(3) 0.4557(5) 0.041(2) Uani d 1 . . C C2F -0.3495(6) 0.3904(4) 0.1625(5) 0.0352(18) Uani d 1 . . C C2G -0.6645(7) -0.0579(5) 0.1931(5) 0.044(2) Uani d 1 . . C C2H 0.1368(6) 0.0352(4) 0.0039(5) 0.0371(18) Uani d 1 . . C C3 -0.5586(7) 0.1081(3) 0.9741(5) 0.0384(19) Uani d 1 . . C C3A -0.0181(5) -0.1273(3) 0.8380(4) 0.0298(16) Uani d 1 . . C C3C -1.0836(7) 0.4255(4) 0.6857(5) 0.040(2) Uani d 1 . . C C3D -0.5388(7) 0.3291(4) 0.4363(5) 0.040(2) Uani d 1 . . C C3E -0.1074(6) 0.2805(4) 0.4040(4) 0.0372(18) Uani d 1 . . C C3F -0.3445(6) 0.3343(4) 0.1655(4) 0.0328(17) Uani d 1 . . C C3G -0.6011(6) -0.0128(4) 0.1939(4) 0.0367(19) Uani d 1 . . C C3H 0.0655(6) 0.0465(3) 0.0480(5) 0.0349(18) Uani d 1 . . C C4 -0.8653(6) -0.0054(4) 0.6081(5) 0.0384(19) Uani d 1 . . C C4A 0.0675(6) -0.1077(4) 0.9013(5) 0.0404(19) Uani d 1 . . C C4C -0.9802(6) 0.4320(4) 0.7032(4) 0.0349(18) Uani d 1 . . C C4D -0.5178(6) 0.3375(3) 0.5137(5) 0.0326(17) Uani d 1 . . C C4E -0.0654(6) 0.2364(3) 0.3706(5) 0.0345(18) Uani d 1 . . C C4F -0.3584(6) 0.3038(4) 0.0993(5) 0.0335(18) Uani d 1 . . C C4G -0.4969(6) -0.0192(4) 0.2133(4) 0.039(2) Uani d 1 . . C C4H -0.0299(6) 0.0658(3) 0.0175(5) 0.0311(17) Uani d 1 . . C C5 -0.8820(7) 0.0793(5) 0.5426(5) 0.050(2) Uani d 1 . . C C5C -0.9432(6) 0.4844(4) 0.7219(4) 0.0360(18) Uani d 1 . . C C5D -0.4292(7) 0.3656(4) 0.5426(5) 0.0381(19) Uani d 1 . . C C5E 0.0379(7) 0.2266(4) 0.3880(5) 0.0381(19) Uani d 1 . . C C5F -0.3719(6) 0.3295(4) 0.0299(5) 0.0386(19) Uani d 1 . . C C5G -0.4574(6) -0.0706(4) 0.2280(4) 0.0363(19) Uani d 1 . . C C5H -0.0492(6) 0.0746(3) -0.0615(5) 0.0342(18) Uani d 1 . . C C05L -0.3489(6) 0.2454(4) 0.1050(5) 0.0388(19) Uani d 1 . . C C6 -0.8854(7) 0.0243(5) 0.5411(5) 0.050(3) Uani d 1 . . C C6C -1.0073(6) 0.5270(4) 0.7221(5) 0.041(2) Uani d 1 . . C C6D -0.3626(7) 0.3828(4) 0.4952(5) 0.0396(19) Uani d 1 . . C C6E 0.0986(7) 0.2587(4) 0.4398(5) 0.044(2) Uani d 1 . . C C6F -0.3749(6) 0.3862(4) 0.0271(5) 0.040(2) Uani d 1 . . C C6G -0.5198(6) -0.1157(4) 0.2240(5) 0.0388(19) Uani d 1 . . C C6H 0.0228(8) 0.0653(3) -0.1058(5) 0.042(2) Uani d 1 . . C C7 -0.4622(6) 0.1820(3) 0.8941(4) 0.0313(17) Uani d 1 . . C C7A -0.6256(6) 0.2120(3) 0.8257(5) 0.0360(18) Uani d 1 . . C C7B -0.8529(7) 0.1664(4) 0.6138(5) 0.045(2) Uani d 1 . . C C7C -0.9124(7) 0.3881(4) 0.7022(5) 0.044(2) Uani d 1 . . C C7D -0.5876(7) 0.3202(3) 0.5621(5) 0.0381(19) Uani d 1 . . C C7E -0.1271(7) 0.2020(4) 0.3173(5) 0.0398(19) Uani d 1 . . C C7G -0.4304(6) 0.0267(4) 0.2124(4) 0.040(2) Uani d 1 . . C C7H -0.1042(6) 0.0791(3) 0.0645(5) 0.0343(18) Uani d 1 . . C C8 -0.5681(6) 0.1794(3) 0.8807(5) 0.0330(17) Uani d 1 . . C C8A 0.0309(7) -0.1584(4) 0.7799(6) 0.049(2) Uani d 1 . . C C9 -0.8557(6) 0.1075(4) 0.6099(5) 0.0373(19) Uani d 1 . . C C12 -0.8352(6) 0.0775(4) 0.6769(5) 0.0354(18) Uani d 1 . . C C12A -0.0714(7) -0.0756(4) 0.8020(6) 0.048(2) Uani d 1 . . C C17A -0.2626(7) -0.2681(3) 0.8566(5) 0.0370(18) Uani d 1 . . C C18A -0.3721(9) -0.2821(4) 0.8657(6) 0.053(3) Uani d 1 . . C C22A -0.1972(10) -0.3193(5) 0.8641(7) 0.071(4) Uani d 1 . . C C26A -0.2634(8) -0.2435(4) 0.7765(5) 0.051(2) Uani d 1 . . C C31A -0.2666(5) -0.1099(3) 1.0117(4) 0.0264(15) Uani d 1 . . C C32A -0.3224(7) -0.1426(4) 1.0675(5) 0.042(2) Uani d 1 . . C C36A -0.3427(6) -0.1004(3) 0.9381(4) 0.0332(16) Uani d 1 . . C C40A -0.2321(6) -0.0551(3) 1.0471(5) 0.041(2) Uani d 1 . . C C45A 0.0128(6) -0.2327(3) 1.0687(4) 0.0340(17) Uani d 1 . . C C46A 0.0411(9) -0.1855(5) 1.1262(6) 0.057(3) Uani d 1 . . C C50A 0.1083(7) -0.2659(4) 1.0567(6) 0.048(2) Uani d 1 . . C C54A -0.0620(8) -0.2706(4) 1.1020(6) 0.053(3) Uani d 1 . . C C17C -0.5440(16) 0.1093(10) 0.4584(13) 0.0274(19) Uani d 0.25 A 2 C C26C -0.534(2) 0.1336(14) 0.3806(15) 0.051(4) Uani d 0.25 A 2 F F29C -0.610(2) 0.121(2) 0.3277(17) 0.089(15) Uani d 0.25 A 2 F F27C -0.529(2) 0.1884(10) 0.3845(16) 0.076(7) Uani d 0.25 A 2 F F28C -0.448(2) 0.1153(12) 0.3547(13) 0.070(7) Uani d 0.25 A 2 F F21C -0.684(2) 0.0539(15) 0.427(2) 0.041(2) Uani d 0.25 A 2 C C18C -0.583(2) 0.0504(10) 0.4473(16) 0.036(2) Uani d 0.25 A 2 F F20C -0.546(2) 0.0251(11) 0.3936(14) 0.075(8) Uani d 0.25 A 2 F F19C -0.560(4) 0.0207(19) 0.511(2) 0.068(15) Uani d 0.25 A 2 C C22C -0.617(2) 0.1428(13) 0.5000(17) 0.052(3) Uani d 0.25 A 2 F F23C -0.5748(17) 0.1878(10) 0.529(2) 0.069(8) Uani d 0.25 A 2 F F25C -0.6984(17) 0.1573(11) 0.4474(15) 0.054(2) Uani d 0.25 A 2 F F24C -0.6372(18) 0.1117(12) 0.5588(15) 0.097(12) Uani d 0.25 A 2 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 Ag01 0.0375(3) 0.0429(4) 0.0458(4) 0.0009(3) 0.0009(3) -0.0071(3) Ag02 0.0384(3) 0.0410(4) 0.0459(4) 0.0023(3) 0.0022(3) 0.0093(3) Al1A 0.0256(10) 0.0221(10) 0.0206(10) 0.0039(8) 0.0010(8) -0.0014(8) Al1B 0.0244(10) 0.0207(10) 0.0205(10) 0.0009(8) -0.0024(8) -0.0010(8) F5B 0.054(3) 0.035(3) 0.051(3) -0.003(2) 0.005(2) 0.011(2) F6B 0.064(3) 0.032(2) 0.045(3) -0.001(2) -0.016(2) -0.003(2) F7B 0.053(3) 0.040(3) 0.053(3) 0.016(2) 0.010(2) 0.006(2) F9B 0.054(3) 0.043(3) 0.054(3) 0.012(2) 0.023(2) -0.009(2) F10B 0.030(2) 0.056(3) 0.061(3) -0.003(2) 0.003(2) 0.003(3) F11B 0.065(3) 0.069(4) 0.037(3) -0.003(3) 0.028(2) 0.003(3) F13B 0.061(3) 0.051(3) 0.034(3) -0.013(2) 0.000(2) -0.008(2) F14B 0.027(2) 0.067(3) 0.042(3) -0.001(2) -0.004(2) 0.006(2) F15B 0.063(3) 0.061(3) 0.030(2) -0.013(3) -0.012(2) 0.017(2) F19B 0.043(4) 0.059(4) 0.034(3) -0.009(3) 0.003(3) 0.007(3) F20B 0.041(5) 0.036(5) 0.070(7) 0.009(4) 0.009(5) 0.011(5) F21B 0.045(3) 0.035(5) 0.039(5) -0.013(3) -0.012(3) 0.014(3) F23B 0.051(5) 0.030(4) 0.131(9) 0.006(3) 0.005(5) 0.018(5) F24B 0.064(5) 0.057(5) 0.071(6) 0.004(4) 0.013(4) -0.028(5) F25B 0.031(3) 0.043(4) 0.090(7) 0.005(3) 0.017(4) 0.013(4) F27B 0.044(4) 0.093(7) 0.039(4) -0.026(4) -0.008(3) 0.028(4) F28B 0.090(6) 0.091(7) 0.036(4) 0.000(5) 0.019(4) -0.017(5) F29B 0.040(5) 0.078(6) 0.046(6) -0.012(5) -0.021(4) 0.034(5) F33B 0.065(4) 0.077(4) 0.045(3) 0.022(3) -0.022(3) -0.010(3) F34B 0.040(3) 0.053(3) 0.080(4) 0.018(2) 0.018(3) -0.003(3) F35B 0.061(3) 0.039(3) 0.066(3) 0.016(2) 0.024(3) 0.018(3) F37B 0.105(5) 0.073(4) 0.042(3) 0.037(4) -0.027(3) -0.019(3) F38B 0.074(4) 0.047(3) 0.057(3) 0.016(3) 0.011(3) -0.024(3) F39B 0.049(3) 0.046(3) 0.100(5) -0.010(3) 0.007(3) -0.031(3) F41B 0.111(5) 0.050(3) 0.087(5) 0.010(3) 0.078(4) -0.002(3) F42B 0.050(3) 0.046(3) 0.094(5) -0.015(2) 0.032(3) -0.018(3) F43B 0.105(5) 0.036(3) 0.058(4) 0.015(3) 0.038(3) 0.016(3) F47B 0.092(4) 0.033(3) 0.055(3) -0.014(3) 0.019(3) 0.000(2) F48B 0.099(5) 0.040(3) 0.037(3) -0.004(3) -0.002(3) 0.004(2) F49B 0.057(3) 0.040(3) 0.097(5) 0.013(2) -0.005(3) 0.006(3) F51B 0.063(4) 0.059(4) 0.092(5) -0.029(3) -0.009(3) -0.022(4) F52B 0.051(3) 0.060(4) 0.095(5) -0.010(3) 0.027(3) -0.005(3) F53B 0.056(4) 0.070(4) 0.084(5) -0.011(3) -0.025(3) 0.022(4) F55B 0.139(7) 0.083(5) 0.037(3) -0.051(5) 0.011(4) -0.012(3) F56B 0.077(4) 0.050(3) 0.093(5) -0.013(3) 0.046(4) -0.023(3) F57B 0.138(6) 0.037(3) 0.072(4) -0.020(3) 0.049(4) -0.027(3) O2B 0.030(2) 0.028(3) 0.022(2) 0.009(2) 0.004(2) 0.002(2) O16B 0.029(3) 0.042(3) 0.027(3) 0.002(2) -0.004(2) 0.009(2) O30B 0.029(3) 0.030(3) 0.034(3) 0.002(2) 0.012(2) -0.005(2) O44B 0.036(3) 0.031(3) 0.029(3) -0.006(2) 0.003(2) -0.006(2) C3B 0.031(4) 0.032(4) 0.020(3) 0.003(3) 0.006(3) 0.001(3) C4B 0.033(4) 0.037(4) 0.032(4) 0.001(3) -0.007(3) 0.008(3) C8B 0.050(5) 0.045(5) 0.024(4) -0.001(4) 0.007(3) 0.001(4) C12B 0.037(4) 0.042(4) 0.025(4) -0.001(3) -0.006(3) 0.003(3) C17B 0.026(4) 0.036(4) 0.018(4) 0.004(3) -0.002(3) 0.008(3) C18B 0.032(5) 0.041(5) 0.030(6) -0.005(4) -0.013(4) 0.008(5) C22B 0.037(5) 0.039(8) 0.075(8) 0.001(5) -0.001(5) -0.011(6) C26B 0.037(7) 0.075(11) 0.036(6) -0.004(6) -0.006(5) 0.011(7) C31B 0.032(4) 0.027(4) 0.026(4) 0.007(3) 0.007(3) -0.004(3) C32B 0.039(4) 0.043(5) 0.036(4) 0.008(4) 0.004(3) -0.001(4) C36B 0.051(5) 0.034(4) 0.044(5) 0.013(4) 0.004(4) -0.015(4) C40B 0.058(6) 0.040(5) 0.053(6) 0.010(4) 0.034(5) -0.005(4) C45B 0.047(5) 0.028(4) 0.035(4) -0.008(3) 0.001(4) -0.005(3) C46B 0.060(6) 0.026(4) 0.047(5) 0.001(4) 0.007(4) 0.004(4) C50B 0.055(6) 0.041(5) 0.064(7) -0.012(4) -0.011(5) -0.007(5) C54B 0.088(8) 0.039(5) 0.069(8) -0.020(5) 0.035(6) -0.016(5) F00S 0.055(3) 0.045(3) 0.040(3) -0.010(2) 0.005(2) -0.009(2) F1 0.032(2) 0.060(3) 0.062(3) -0.007(2) 0.000(2) 0.003(3) F1A 0.078(4) 0.052(3) 0.037(3) 0.024(3) -0.015(3) 0.000(2) F1B 0.049(3) 0.052(3) 0.077(4) -0.002(3) 0.017(3) -0.027(3) F1C 0.049(3) 0.078(4) 0.053(3) 0.028(3) -0.015(3) -0.024(3) F1D 0.048(3) 0.073(4) 0.041(3) -0.002(3) 0.014(2) 0.011(3) F1E 0.072(4) 0.039(3) 0.057(3) -0.013(3) -0.021(3) 0.002(3) F1F 0.048(3) 0.042(3) 0.067(4) -0.012(2) 0.011(3) 0.015(3) F1G 0.060(4) 0.072(4) 0.061(4) -0.021(3) 0.003(3) 0.019(3) F1H 0.059(3) 0.045(3) 0.044(3) 0.000(2) 0.022(2) -0.010(2) F2 0.075(4) 0.047(3) 0.057(4) -0.015(3) 0.008(3) 0.012(3) F2A 0.034(3) 0.084(4) 0.045(3) 0.006(3) 0.000(2) -0.005(3) F2B 0.054(3) 0.043(3) 0.046(3) 0.002(2) 0.005(2) 0.001(2) F2C 0.028(2) 0.086(4) 0.039(3) 0.000(2) -0.003(2) 0.006(3) F2D 0.073(4) 0.083(4) 0.026(3) -0.007(3) 0.003(3) -0.002(3) F2E 0.077(4) 0.034(3) 0.050(3) 0.006(3) 0.003(3) 0.001(2) F2G 0.031(3) 0.088(4) 0.040(3) -0.001(2) 0.004(2) 0.002(3) F2H 0.029(2) 0.099(5) 0.050(3) 0.016(3) 0.006(2) 0.000(3) F3A 0.050(3) 0.062(3) 0.039(3) -0.002(3) 0.012(2) 0.004(3) F3B 0.054(3) 0.047(3) 0.033(3) -0.011(2) 0.004(2) -0.005(2) F3C 0.059(3) 0.048(3) 0.058(3) -0.012(3) -0.002(3) 0.015(3) F3D 0.061(3) 0.070(4) 0.041(3) -0.021(3) 0.003(2) -0.006(3) F3E 0.043(3) 0.058(3) 0.048(3) 0.008(2) 0.003(2) 0.010(3) F3F 0.050(3) 0.050(3) 0.031(3) -0.001(2) -0.001(2) 0.009(2) F3G 0.050(3) 0.055(3) 0.046(3) 0.014(2) -0.006(2) -0.002(3) F3H 0.041(3) 0.096(5) 0.037(3) 0.025(3) 0.008(2) 0.012(3) F5A 0.050(3) 0.048(3) 0.036(3) -0.011(2) 0.012(2) -0.010(2) F5C 0.027(2) 0.070(4) 0.050(3) 0.000(2) -0.004(2) 0.003(3) F5D 0.054(3) 0.074(4) 0.029(3) -0.011(3) 0.003(2) -0.009(3) F5E 0.062(3) 0.043(3) 0.045(3) 0.009(2) 0.007(3) 0.000(2) F5F 0.057(3) 0.069(4) 0.032(3) 0.013(3) 0.005(2) -0.013(2) F5G 0.030(2) 0.073(4) 0.048(3) 0.012(2) 0.000(2) -0.013(3) F5H 0.060(3) 0.060(3) 0.053(3) 0.028(3) -0.021(3) -0.013(3) F6A 0.037(3) 0.051(3) 0.061(3) -0.009(2) 0.017(2) 0.001(3) F6C 0.066(4) 0.054(4) 0.071(4) -0.003(3) -0.017(3) -0.017(3) F6D 0.045(3) 0.084(4) 0.046(3) -0.019(3) 0.001(2) -0.008(3) F6E 0.043(3) 0.057(3) 0.082(4) -0.005(3) -0.020(3) 0.006(3) F6F 0.046(3) 0.069(4) 0.037(3) 0.001(3) 0.008(2) 0.020(3) F6G 0.060(3) 0.054(3) 0.057(4) 0.009(3) -0.004(3) 0.012(3) F6H 0.078(4) 0.061(4) 0.030(3) 0.015(3) 0.000(3) 0.000(3) F7A 0.032(3) 0.065(4) 0.072(4) 0.006(2) -0.004(3) 0.018(3) F9A 0.055(3) 0.071(4) 0.080(4) 0.022(3) 0.015(3) -0.024(4) F10A 0.071(4) 0.091(4) 0.033(3) -0.002(3) 0.016(3) -0.022(3) F11A 0.043(3) 0.113(5) 0.067(4) -0.013(3) 0.031(3) -0.028(4) F13A 0.028(2) 0.073(4) 0.056(3) 0.001(2) -0.002(2) 0.023(3) F14A 0.048(3) 0.093(5) 0.076(4) -0.012(3) 0.011(3) 0.048(4) F15A 0.057(3) 0.035(3) 0.082(4) 0.000(2) 0.012(3) 0.001(3) F18 0.073(4) 0.107(6) 0.040(3) -0.046(4) 0.003(3) 0.013(3) F19A 0.037(3) 0.064(4) 0.077(4) -0.008(3) -0.003(3) -0.013(3) F20 0.068(4) 0.107(5) 0.037(3) -0.035(4) 0.019(3) -0.028(3) F20A 0.078(4) 0.050(3) 0.078(4) -0.033(3) -0.002(3) -0.022(3) F21A 0.078(4) 0.076(4) 0.048(3) -0.042(3) 0.008(3) 0.009(3) F23A 0.139(7) 0.034(3) 0.075(5) 0.008(4) -0.029(4) 0.010(3) F24A 0.098(5) 0.061(4) 0.105(6) 0.022(4) -0.025(4) -0.059(4) F25A 0.065(4) 0.073(4) 0.090(5) 0.029(3) -0.019(4) -0.038(4) F27A 0.068(3) 0.038(3) 0.039(3) -0.013(2) -0.011(2) 0.006(2) F28A 0.075(4) 0.097(5) 0.053(4) -0.022(4) 0.024(3) -0.034(3) F29A 0.120(6) 0.065(4) 0.036(3) -0.035(4) -0.021(3) -0.003(3) F33A 0.067(3) 0.039(3) 0.051(3) -0.005(2) 0.025(3) 0.009(2) F34A 0.062(3) 0.067(4) 0.031(3) 0.016(3) 0.007(2) 0.007(2) F35A 0.037(3) 0.069(4) 0.042(3) 0.006(2) 0.021(2) 0.005(2) F37A 0.030(2) 0.043(3) 0.054(3) -0.0035(19) 0.001(2) -0.010(2) F38A 0.037(3) 0.048(3) 0.046(3) 0.022(2) 0.007(2) 0.002(2) F39A 0.034(2) 0.055(3) 0.030(2) 0.003(2) 0.0052(19) 0.010(2) F41A 0.047(3) 0.047(3) 0.053(3) 0.010(2) -0.010(2) -0.022(3) F42A 0.066(4) 0.029(2) 0.073(4) -0.013(2) 0.020(3) -0.002(2) F43A 0.055(3) 0.038(3) 0.059(3) 0.015(2) 0.018(3) -0.015(2) F47A 0.067(4) 0.078(4) 0.035(3) 0.016(3) -0.016(2) -0.007(3) F48A 0.102(5) 0.097(5) 0.061(4) 0.048(4) -0.021(4) -0.036(4) F49A 0.182(8) 0.056(4) 0.057(4) -0.045(5) -0.031(4) 0.003(3) F51A 0.036(3) 0.080(5) 0.155(8) 0.009(3) 0.011(4) 0.023(5) F52A 0.108(6) 0.111(6) 0.060(4) 0.082(5) -0.031(4) -0.004(4) F53A 0.055(3) 0.073(4) 0.056(3) 0.033(3) -0.006(3) -0.020(3) F55A 0.076(4) 0.066(4) 0.091(5) -0.022(3) 0.018(4) -0.003(4) F56A 0.116(6) 0.087(5) 0.064(4) -0.009(4) -0.013(4) 0.043(4) F57A 0.065(4) 0.083(5) 0.097(5) 0.015(3) 0.028(4) 0.041(4) O2A 0.028(3) 0.034(3) 0.024(3) 0.002(2) -0.002(2) -0.004(2) O16A 0.036(3) 0.024(3) 0.028(3) -0.002(2) -0.002(2) -0.004(2) O30A 0.023(2) 0.029(3) 0.029(3) 0.0030(19) 0.0047(19) -0.007(2) O44A 0.033(3) 0.035(3) 0.023(2) 0.014(2) -0.0038(19) -0.004(2) N1A 0.044(4) 0.044(4) 0.038(4) 0.008(3) -0.003(3) 0.003(3) N1B 0.039(4) 0.055(6) 0.067(6) -0.019(4) -0.007(4) 0.011(5) N1C 0.057(5) 0.058(5) 0.037(4) 0.022(4) 0.001(4) 0.012(4) N1D 0.050(4) 0.040(4) 0.039(4) -0.009(3) 0.011(3) 0.003(3) N1E 0.058(5) 0.054(5) 0.044(5) -0.014(4) 0.001(4) -0.006(4) N1F 0.051(5) 0.049(5) 0.042(4) 0.021(4) 0.003(3) -0.005(4) N1G 0.047(4) 0.062(5) 0.042(4) 0.000(4) 0.007(3) -0.002(4) N1H 0.036(4) 0.035(4) 0.060(5) 0.002(3) 0.005(4) -0.001(3) C1 0.050(5) 0.037(5) 0.028(4) 0.014(4) -0.007(3) -0.004(3) C1C 0.036(4) 0.053(5) 0.026(4) 0.016(4) 0.001(3) -0.009(4) C1D 0.047(5) 0.039(5) 0.028(4) 0.009(4) 0.009(4) 0.008(3) C1E 0.058(5) 0.035(5) 0.034(4) -0.016(4) -0.012(4) 0.009(4) C1F 0.024(4) 0.040(5) 0.046(5) -0.002(3) 0.007(3) 0.013(4) C1G 0.039(5) 0.069(7) 0.027(4) -0.015(4) 0.004(4) 0.006(4) C1H 0.030(4) 0.030(4) 0.042(5) -0.003(3) 0.010(3) -0.011(3) C2 0.030(4) 0.036(4) 0.042(5) -0.007(3) 0.008(3) -0.010(4) C2A 0.038(4) 0.052(5) 0.034(5) 0.008(4) 0.002(4) -0.010(4) C2B 0.025(4) 0.046(5) 0.033(4) -0.002(3) 0.003(3) -0.008(4) C2C 0.031(4) 0.052(5) 0.020(4) 0.006(3) 0.003(3) 0.005(3) C2D 0.040(4) 0.043(5) 0.028(4) 0.004(4) -0.001(3) 0.000(4) C2E 0.061(5) 0.030(4) 0.032(4) -0.003(4) 0.009(4) 0.008(4) C2F 0.027(4) 0.045(5) 0.031(4) -0.004(3) -0.001(3) -0.009(4) C2G 0.035(4) 0.078(7) 0.019(4) 0.005(4) 0.004(3) 0.004(4) C2H 0.029(4) 0.046(5) 0.035(4) -0.002(3) 0.002(3) -0.004(4) C3 0.057(5) 0.029(4) 0.029(4) -0.004(3) 0.008(4) -0.006(3) C3A 0.018(3) 0.048(5) 0.024(4) 0.001(3) 0.004(3) 0.002(3) C3C 0.041(5) 0.046(5) 0.030(4) 0.000(4) -0.003(3) 0.009(4) C3D 0.053(5) 0.034(4) 0.033(4) -0.008(4) 0.002(4) -0.003(4) C3E 0.039(4) 0.040(4) 0.030(4) 0.002(4) -0.002(3) 0.007(4) C3F 0.028(4) 0.041(4) 0.030(4) -0.001(3) 0.006(3) 0.009(3) C3G 0.039(4) 0.052(5) 0.019(4) 0.008(4) 0.004(3) 0.004(3) C3H 0.030(4) 0.039(5) 0.035(4) -0.002(3) 0.002(3) 0.003(4) C4 0.027(4) 0.042(5) 0.047(5) -0.005(3) 0.010(3) -0.012(4) C4A 0.037(4) 0.039(4) 0.045(5) 0.003(3) 0.004(4) -0.001(4) C4C 0.034(4) 0.045(5) 0.026(4) 0.003(3) 0.004(3) 0.011(3) C4D 0.042(4) 0.025(4) 0.033(4) 0.005(3) 0.014(3) 0.002(3) C4E 0.042(4) 0.032(4) 0.029(4) -0.007(3) 0.004(3) 0.008(3) C4F 0.022(3) 0.043(5) 0.036(4) 0.003(3) 0.006(3) -0.002(4) C4G 0.041(4) 0.058(6) 0.019(4) 0.005(4) 0.008(3) -0.005(4) C4H 0.027(4) 0.024(4) 0.040(4) -0.005(3) -0.002(3) -0.004(3) C5 0.044(5) 0.076(7) 0.028(4) -0.027(5) 0.001(4) 0.009(4) C5C 0.029(4) 0.056(5) 0.023(4) 0.001(4) 0.004(3) 0.006(4) C5D 0.047(5) 0.042(5) 0.026(4) -0.003(4) 0.007(4) -0.002(4) C5E 0.043(4) 0.037(5) 0.032(4) 0.002(4) -0.002(3) 0.008(4) C5F 0.026(4) 0.049(5) 0.038(5) 0.008(3) -0.004(3) 0.000(4) C5G 0.025(4) 0.061(6) 0.024(4) 0.006(4) 0.006(3) -0.004(4) C5H 0.035(4) 0.023(4) 0.041(5) -0.001(3) -0.006(3) -0.010(3) C05L 0.027(4) 0.046(5) 0.043(5) 0.008(4) 0.004(3) -0.002(4) C6 0.030(4) 0.082(7) 0.041(5) -0.024(4) 0.016(4) -0.023(5) C6C 0.035(4) 0.053(5) 0.033(4) 0.001(4) -0.005(3) -0.008(4) C6D 0.038(4) 0.040(5) 0.041(5) -0.001(4) 0.008(4) -0.001(4) C6E 0.051(5) 0.031(5) 0.044(5) -0.007(4) -0.009(4) 0.010(4) C6F 0.026(4) 0.065(6) 0.030(4) -0.001(4) 0.003(3) 0.016(4) C6G 0.038(4) 0.045(5) 0.033(4) 0.007(4) 0.005(4) 0.008(4) C6H 0.067(6) 0.026(4) 0.029(4) -0.004(4) 0.000(4) -0.001(3) C7 0.031(4) 0.042(5) 0.023(4) 0.003(3) 0.008(3) -0.006(3) C7A 0.038(4) 0.033(4) 0.038(5) 0.000(3) 0.009(4) -0.002(4) C7B 0.034(4) 0.056(6) 0.046(5) -0.012(4) 0.007(4) 0.012(5) C7C 0.041(5) 0.055(6) 0.039(5) 0.000(4) 0.012(4) 0.009(4) C7D 0.048(5) 0.031(4) 0.033(4) 0.002(4) -0.003(4) 0.005(3) C7E 0.050(5) 0.042(5) 0.027(4) -0.002(4) 0.004(4) 0.010(4) C7G 0.036(4) 0.062(6) 0.022(4) -0.004(4) 0.007(3) -0.012(4) C7H 0.022(3) 0.033(4) 0.046(5) -0.001(3) -0.002(3) -0.005(4) C8 0.032(4) 0.034(4) 0.032(4) 0.008(3) 0.000(3) -0.009(3) C8A 0.033(4) 0.064(6) 0.052(6) -0.002(4) 0.013(4) -0.007(5) C9 0.032(4) 0.041(5) 0.037(4) -0.012(3) 0.002(3) 0.005(4) C12 0.031(4) 0.048(5) 0.028(4) -0.007(3) 0.006(3) -0.005(4) C12A 0.040(5) 0.046(5) 0.058(6) -0.005(4) 0.015(4) 0.008(5) C17A 0.048(5) 0.027(4) 0.032(4) -0.007(3) -0.005(3) -0.007(3) C18A 0.073(7) 0.042(5) 0.043(5) -0.023(5) 0.001(5) -0.008(4) C22A 0.078(8) 0.052(7) 0.076(8) 0.016(6) -0.015(6) -0.029(6) C26A 0.067(6) 0.056(6) 0.027(4) -0.009(5) -0.002(4) -0.015(4) C31A 0.021(3) 0.027(4) 0.032(4) 0.006(3) 0.005(3) -0.004(3) C32A 0.042(5) 0.046(5) 0.043(5) 0.002(4) 0.016(4) -0.012(4) C36A 0.031(4) 0.037(4) 0.031(4) 0.003(3) 0.004(3) 0.002(3) C40A 0.036(4) 0.031(4) 0.056(5) 0.004(3) 0.004(4) -0.012(4) C45A 0.039(4) 0.033(4) 0.027(4) 0.012(3) -0.005(3) 0.000(3) C46A 0.069(7) 0.054(6) 0.041(5) 0.021(5) -0.014(5) -0.015(5) C50A 0.041(5) 0.047(5) 0.053(6) 0.021(4) -0.008(4) 0.013(4) C54A 0.062(6) 0.045(5) 0.057(6) 0.027(5) 0.026(5) 0.023(5) C17C 0.026(4) 0.036(4) 0.018(4) 0.004(3) -0.002(3) 0.008(3) C26C 0.037(7) 0.075(11) 0.036(6) -0.004(6) -0.006(5) 0.011(7) F29C 0.07(2) 0.15(3) 0.039(18) -0.02(3) -0.030(17) 0.02(2) F27C 0.074(12) 0.065(12) 0.079(13) -0.004(10) -0.019(10) 0.011(11) F28C 0.085(13) 0.078(13) 0.048(11) 0.022(11) 0.013(10) -0.012(10) F21C 0.045(3) 0.035(5) 0.039(5) -0.013(3) -0.012(3) 0.014(3) C18C 0.032(5) 0.041(5) 0.030(6) -0.005(4) -0.013(4) 0.008(5) F20C 0.11(2) 0.060(16) 0.052(15) -0.008(15) -0.012(14) -0.018(13) F19C 0.06(3) 0.05(3) 0.09(3) 0.004(18) 0.00(2) 0.03(2) C22C 0.037(5) 0.039(8) 0.075(8) 0.001(5) -0.001(5) -0.011(6) F23C 0.036(12) 0.039(15) 0.13(3) 0.004(11) -0.012(16) 0.000(18) F25C 0.031(3) 0.043(4) 0.090(7) 0.005(3) 0.017(4) 0.013(4) F24C 0.046(14) 0.13(3) 0.13(3) -0.019(15) 0.049(16) -0.08(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0033 0.0016 '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' 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' 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 N1E Ag01 N1F . . 94.5(3) ? N1E Ag01 N1H . . 110.0(3) ? N1G Ag01 N1E . . 120.3(3) ? N1G Ag01 N1F . . 113.0(3) ? N1G Ag01 N1H . . 113.2(3) ? N1H Ag01 N1F . . 103.1(3) ? N1A Ag02 N1B . . 98.1(3) ? N1A Ag02 N1D . . 110.3(3) ? N1C Ag02 N1A . . 119.7(3) ? N1C Ag02 N1B . . 110.0(3) ? N1C Ag02 N1D . . 113.9(3) ? N1D Ag02 N1B . . 102.3(3) ? O2A Al1A O16A . . 107.0(3) ? O2A Al1A O30A . . 112.8(3) ? O30A Al1A O16A . . 108.3(3) ? O44A Al1A O2A . . 106.8(3) ? O44A Al1A O16A . . 114.9(3) ? O44A Al1A O30A . . 107.2(3) ? O2B Al1B O30B . . 107.3(3) ? O16B Al1B O2B . . 107.6(3) ? O16B Al1B O30B . . 110.7(3) ? O44B Al1B O2B . . 114.1(3) ? O44B Al1B O16B . . 109.0(3) ? O44B Al1B O30B . . 108.2(3) ? C3B O2B Al1B . . 148.9(5) ? C17B O16B Al1B . . 145.3(5) ? C17C O16B Al1B . . 156.4(11) ? C31B O30B Al1B . . 147.7(5) ? C45B O44B Al1B . . 149.9(5) ? O2B C3B C4B . . 111.5(6) ? O2B C3B C8B . . 107.8(6) ? O2B C3B C12B . . 110.6(6) ? C4B C3B C8B . . 108.0(6) ? C4B C3B C12B . . 109.5(6) ? C12B C3B C8B . . 109.4(6) ? F5B C4B F7B . . 107.5(6) ? F5B C4B C3B . . 113.3(7) ? F6B C4B F5B . . 107.5(7) ? F6B C4B F7B . . 106.2(7) ? F6B C4B C3B . . 111.1(6) ? F7B C4B C3B . . 110.9(7) ? F9B C8B C3B . . 110.0(7) ? F10B C8B F9B . . 107.0(7) ? F10B C8B F11B . . 107.7(7) ? F10B C8B C3B . . 111.6(7) ? F11B C8B F9B . . 107.2(7) ? F11B C8B C3B . . 113.1(7) ? F13B C12B F15B . . 107.4(6) ? F13B C12B C3B . . 110.3(6) ? F14B C12B F13B . . 107.8(7) ? F14B C12B F15B . . 107.9(7) ? F14B C12B C3B . . 111.0(6) ? F15B C12B C3B . . 112.3(6) ? O16B C17B C18B . . 114.1(8) ? O16B C17B C22B . . 109.7(8) ? O16B C17B C26B . . 107.3(8) ? C18B C17B C26B . . 106.8(9) ? C22B C17B C18B . . 110.9(9) ? C22B C17B C26B . . 107.7(9) ? F19B C18B C17B . . 109.8(9) ? F20B C18B F19B . . 106.4(10) ? F20B C18B F21B . . 109.4(12) ? F20B C18B C17B . . 111.1(12) ? F21B C18B F19B . . 104.6(9) ? F21B C18B C17B . . 115.1(8) ? F23B C22B F24B . . 107.6(12) ? F23B C22B F25B . . 108.1(10) ? F23B C22B C17B . . 114.4(11) ? F24B C22B F25B . . 105.0(11) ? F24B C22B C17B . . 109.5(10) ? F25B C22B C17B . . 111.6(9) ? F27B C26B F28B . . 105.8(11) ? F27B C26B C17B . . 110.2(10) ? F28B C26B C17B . . 110.6(10) ? F29B C26B F27B . . 107.0(11) ? F29B C26B F28B . . 107.5(12) ? F29B C26B C17B . . 115.2(11) ? O30B C31B C32B . . 107.4(6) ? O30B C31B C36B . . 108.8(6) ? O30B C31B C40B . . 112.1(6) ? C36B C31B C32B . . 107.9(6) ? C40B C31B C32B . . 109.8(7) ? C40B C31B C36B . . 110.9(7) ? F33B C32B F34B . . 108.1(7) ? F33B C32B C31B . . 110.4(7) ? F34B C32B C31B . . 111.9(7) ? F35B C32B F33B . . 108.0(7) ? F35B C32B F34B . . 106.8(7) ? F35B C32B C31B . . 111.3(7) ? F37B C36B C31B . . 108.9(7) ? F38B C36B F37B . . 106.5(7) ? F38B C36B C31B . . 112.3(7) ? F39B C36B F37B . . 106.9(8) ? F39B C36B F38B . . 109.0(7) ? F39B C36B C31B . . 113.0(7) ? F41B C40B C31B . . 112.5(7) ? F42B C40B F41B . . 105.6(8) ? F42B C40B C31B . . 111.3(7) ? F43B C40B F41B . . 107.8(8) ? F43B C40B F42B . . 107.9(8) ? F43B C40B C31B . . 111.4(7) ? O44B C45B C46B . . 109.5(6) ? O44B C45B C50B . . 109.2(7) ? O44B C45B C54B . . 111.4(7) ? C50B C45B C46B . . 107.5(7) ? C50B C45B C54B . . 111.2(8) ? C54B C45B C46B . . 107.9(8) ? F47B C46B C45B . . 111.3(7) ? F48B C46B F47B . . 107.7(7) ? F48B C46B F49B . . 107.0(8) ? F48B C46B C45B . . 112.4(7) ? F49B C46B F47B . . 107.5(7) ? F49B C46B C45B . . 110.8(7) ? F51B C50B F52B . . 106.7(9) ? F51B C50B C45B . . 113.3(9) ? F52B C50B C45B . . 111.5(8) ? F53B C50B F51B . . 106.9(8) ? F53B C50B F52B . . 106.7(9) ? F53B C50B C45B . . 111.4(8) ? F55B C54B C45B . . 108.4(10) ? F56B C54B F55B . . 107.3(9) ? F56B C54B F57B . . 109.9(10) ? F56B C54B C45B . . 112.2(8) ? F57B C54B F55B . . 106.1(9) ? F57B C54B C45B . . 112.6(8) ? C3A O2A Al1A . . 148.3(5) ? C17A O16A Al1A . . 146.7(5) ? C31A O30A Al1A . . 148.0(5) ? C45A O44A Al1A . . 149.1(5) ? C7A N1A Ag02 . . 171.7(7) ? C7B N1B Ag02 . . 144.8(8) ? C7C N1C Ag02 . . 173.1(7) ? C7D N1D Ag02 . . 177.0(7) ? C7E N1E Ag01 . . 174.8(8) ? C05L N1F Ag01 . . 148.3(7) ? C7G N1G Ag01 . . 165.4(7) ? C7H N1H Ag01 . . 173.4(7) ? F1A C1 C2A . . 119.5(8) ? F1A C1 C3 . . 119.4(8) ? C2A C1 C3 . . 121.1(8) ? F1C C1C C2C . . 120.3(8) ? F1C C1C C6C . . 118.9(8) ? C2C C1C C6C . . 120.8(8) ? F1D C1D C2D . . 120.6(8) ? F1D C1D C6D . . 119.4(8) ? C2D C1D C6D . . 120.0(8) ? F1E C1E C2E . . 119.7(9) ? F1E C1E C6E . . 119.2(9) ? C6E C1E C2E . . 121.1(8) ? F1F C1F C2F . . 119.1(8) ? F1F C1F C6F . . 120.4(8) ? C6F C1F C2F . . 120.5(8) ? F1G C1G C2G . . 119.8(8) ? F1G C1G C6G . . 119.8(10) ? C2G C1G C6G . . 120.4(9) ? F1H C1H C2H . . 121.4(7) ? F1H C1H C6H . . 119.7(8) ? C2H C1H C6H . . 118.9(7) ? F1 C2 C3 . . 119.9(8) ? F1 C2 C8 . . 118.2(8) ? C3 C2 C8 . . 121.9(8) ? F2A C2A C1 . . 120.3(8) ? F2A C2A C7 . . 120.4(9) ? C7 C2A C1 . . 119.3(8) ? F2B C2B C4 . . 119.0(8) ? F2B C2B C12 . . 121.1(7) ? C12 C2B C4 . . 119.9(8) ? F2C C2C C1C . . 120.5(8) ? F2C C2C C3C . . 121.4(8) ? C3C C2C C1C . . 118.0(8) ? F2D C2D C1D . . 119.9(8) ? F2D C2D C3D . . 119.5(8) ? C1D C2D C3D . . 120.5(8) ? F2E C2E C1E . . 119.9(8) ? F2E C2E C3E . . 120.3(8) ? C3E C2E C1E . . 119.8(8) ? F00S C2F C1F . . 119.9(8) ? F00S C2F C3F . . 121.1(8) ? C3F C2F C1F . . 118.9(8) ? F2G C2G C1G . . 119.4(9) ? F2G C2G C3G . . 120.1(9) ? C1G C2G C3G . . 120.3(8) ? F2H C2H C1H . . 117.4(7) ? F2H C2H C3H . . 121.7(8) ? C3H C2H C1H . . 121.0(8) ? F2 C3 C1 . . 119.5(8) ? F2 C3 C2 . . 121.2(8) ? C2 C3 C1 . . 119.3(8) ? O2A C3A C4A . . 112.0(6) ? O2A C3A C8A . . 110.9(7) ? O2A C3A C12A . . 108.6(6) ? C8A C3A C4A . . 108.1(6) ? C8A C3A C12A . . 110.3(7) ? C12A C3A C4A . . 106.8(7) ? F3C C3C C2C . . 117.9(8) ? F3C C3C C4C . . 119.8(8) ? C4C C3C C2C . . 122.3(9) ? F3D C3D C2D . . 119.6(8) ? F3D C3D C4D . . 119.9(8) ? C4D C3D C2D . . 120.5(8) ? F3E C3E C2E . . 120.9(8) ? F3E C3E C4E . . 118.9(7) ? C2E C3E C4E . . 120.1(8) ? F3F C3F C2F . . 119.3(8) ? F3F C3F C4F . . 120.4(8) ? C2F C3F C4F . . 120.4(7) ? F3G C3G C2G . . 119.9(8) ? F3G C3G C4G . . 120.2(8) ? C4G C3G C2G . . 119.8(8) ? F3H C3H C2H . . 120.9(7) ? F3H C3H C4H . . 117.5(7) ? C2H C3H C4H . . 121.5(8) ? F1B C4 C2B . . 119.8(9) ? F1B C4 C6 . . 120.9(8) ? C2B C4 C6 . . 119.3(8) ? F5A C4A F7A . . 107.7(7) ? F5A C4A C3A . . 110.1(6) ? F6A C4A F5A . . 109.0(7) ? F6A C4A F7A . . 107.6(7) ? F6A C4A C3A . . 112.7(7) ? F7A C4A C3A . . 109.5(7) ? C3C C4C C5C . . 117.8(8) ? C3C C4C C7C . . 121.9(9) ? C5C C4C C7C . . 120.2(8) ? C3D C4D C5D . . 118.4(7) ? C3D C4D C7D . . 120.6(8) ? C5D C4D C7D . . 120.9(8) ? C3E C4E C7E . . 121.0(8) ? C5E C4E C3E . . 119.1(8) ? C5E C4E C7E . . 119.8(8) ? C3F C4F C05L . . 118.4(8) ? C5F C4F C3F . . 120.2(8) ? C5F C4F C05L . . 121.1(8) ? C3G C4G C7G . . 120.4(8) ? C5G C4G C3G . . 119.3(8) ? C5G C4G C7G . . 120.1(8) ? C3H C4H C5H . . 117.6(7) ? C3H C4H C7H . . 121.3(8) ? C5H C4H C7H . . 120.9(7) ? F18 C5 C6 . . 119.7(9) ? F18 C5 C9 . . 119.0(9) ? C6 C5 C9 . . 121.3(9) ? F5C C5C C4C . . 119.1(8) ? F5C C5C C6C . . 120.1(8) ? C6C C5C C4C . . 120.8(8) ? F5D C5D C4D . . 119.1(7) ? F5D C5D C6D . . 120.3(8) ? C6D C5D C4D . . 120.5(8) ? F5E C5E C4E . . 119.4(8) ? F5E C5E C6E . . 119.6(8) ? C6E C5E C4E . . 121.0(8) ? F5F C5F C4F . . 120.7(8) ? F5F C5F C6F . . 120.0(8) ? C4F C5F C6F . . 119.2(8) ? F5G C5G C4G . . 120.1(8) ? F5G C5G C6G . . 118.9(8) ? C4G C5G C6G . . 121.0(7) ? F5H C5H C4H . . 118.5(8) ? F5H C5H C6H . . 120.2(8) ? C6H C5H C4H . . 121.3(8) ? N1F C05L C4F . . 176.0(10) ? F20 C6 C4 . . 118.5(10) ? F20 C6 C5 . . 121.2(10) ? C5 C6 C4 . . 120.3(8) ? F6C C6C C1C . . 120.2(8) ? F6C C6C C5C . . 119.5(8) ? C5C C6C C1C . . 120.2(9) ? F6D C6D C1D . . 119.4(8) ? F6D C6D C5D . . 120.6(8) ? C5D C6D C1D . . 120.0(8) ? F6E C6E C1E . . 120.1(8) ? F6E C6E C5E . . 120.9(9) ? C1E C6E C5E . . 118.9(9) ? F6F C6F C1F . . 119.6(8) ? F6F C6F C5F . . 119.6(8) ? C1F C6F C5F . . 120.7(8) ? F6G C6G C1G . . 119.5(8) ? F6G C6G C5G . . 121.4(8) ? C5G C6G C1G . . 119.1(8) ? F6H C6H C1H . . 117.5(8) ? F6H C6H C5H . . 122.9(9) ? C5H C6H C1H . . 119.6(8) ? F3A C7 C2A . . 119.9(8) ? F3A C7 C8 . . 118.2(7) ? C2A C7 C8 . . 121.8(8) ? N1A C7A C8 . . 178.9(10) ? N1B C7B C9 . . 176.3(10) ? N1C C7C C4C . . 178.4(11) ? N1D C7D C4D . . 179.2(10) ? N1E C7E C4E . . 178.0(10) ? N1G C7G C4G . . 179.7(10) ? N1H C7H C4H . . 176.4(9) ? C7 C8 C2 . . 116.4(7) ? C7 C8 C7A . . 121.8(8) ? C7A C8 C2 . . 121.8(7) ? F9A C8A F10A . . 106.6(8) ? F9A C8A C3A . . 109.6(8) ? F10A C8A C3A . . 110.7(7) ? F11A C8A F9A . . 106.4(8) ? F11A C8A F10A . . 106.9(8) ? F11A C8A C3A . . 116.1(8) ? C5 C9 C7B . . 122.8(8) ? C5 C9 C12 . . 118.1(8) ? C12 C9 C7B . . 119.0(8) ? F3B C12 C2B . . 119.5(8) ? F3B C12 C9 . . 119.5(8) ? C2B C12 C9 . . 121.0(8) ? F13A C12A C3A . . 108.6(7) ? F14A C12A F13A . . 105.3(8) ? F14A C12A C3A . . 112.1(7) ? F15A C12A F13A . . 110.3(8) ? F15A C12A F14A . . 108.2(8) ? F15A C12A C3A . . 112.1(8) ? O16A C17A C18A . . 107.9(7) ? O16A C17A C22A . . 110.6(7) ? O16A C17A C26A . . 111.0(7) ? C18A C17A C26A . . 108.0(8) ? C22A C17A C18A . . 110.3(8) ? C22A C17A C26A . . 109.1(8) ? F19A C18A F20A . . 108.6(8) ? F19A C18A F21A . . 105.5(9) ? F19A C18A C17A . . 111.7(8) ? F20A C18A F21A . . 105.2(8) ? F20A C18A C17A . . 114.3(9) ? F21A C18A C17A . . 110.9(8) ? F23A C22A C17A . . 109.0(10) ? F24A C22A F23A . . 107.3(10) ? F24A C22A C17A . . 114.1(9) ? F25A C22A F23A . . 105.7(10) ? F25A C22A F24A . . 108.0(10) ? F25A C22A C17A . . 112.3(9) ? F27A C26A F28A . . 109.7(9) ? F27A C26A F29A . . 106.3(8) ? F27A C26A C17A . . 111.2(7) ? F28A C26A F29A . . 107.2(8) ? F28A C26A C17A . . 110.9(8) ? F29A C26A C17A . . 111.3(8) ? O30A C31A C32A . . 110.4(6) ? O30A C31A C36A . . 111.3(6) ? O30A C31A C40A . . 108.1(6) ? C32A C31A C36A . . 107.9(6) ? C40A C31A C32A . . 109.4(7) ? C40A C31A C36A . . 109.6(6) ? F33A C32A F34A . . 106.2(8) ? F33A C32A F35A . . 109.2(7) ? F33A C32A C31A . . 112.3(7) ? F34A C32A C31A . . 109.0(7) ? F35A C32A F34A . . 107.3(7) ? F35A C32A C31A . . 112.6(7) ? F37A C36A F38A . . 106.9(6) ? F37A C36A C31A . . 112.0(6) ? F38A C36A C31A . . 111.7(6) ? F39A C36A F37A . . 107.8(6) ? F39A C36A F38A . . 107.9(6) ? F39A C36A C31A . . 110.4(6) ? F41A C40A F42A . . 105.0(7) ? F41A C40A C31A . . 112.2(7) ? F42A C40A C31A . . 109.2(7) ? F43A C40A F41A . . 107.3(7) ? F43A C40A F42A . . 107.3(7) ? F43A C40A C31A . . 115.3(7) ? O44A C45A C46A . . 111.4(7) ? O44A C45A C50A . . 107.5(6) ? O44A C45A C54A . . 110.5(7) ? C50A C45A C46A . . 111.0(7) ? C54A C45A C46A . . 107.5(8) ? C54A C45A C50A . . 108.9(7) ? F47A C46A F48A . . 105.0(8) ? F47A C46A C45A . . 112.9(8) ? F48A C46A C45A . . 110.2(9) ? F49A C46A F47A . . 109.6(10) ? F49A C46A F48A . . 107.8(10) ? F49A C46A C45A . . 111.1(9) ? F51A C50A F52A . . 103.2(9) ? F51A C50A C45A . . 109.2(8) ? F52A C50A C45A . . 111.9(8) ? F53A C50A F51A . . 113.5(10) ? F53A C50A F52A . . 107.2(8) ? F53A C50A C45A . . 111.5(7) ? F55A C54A F57A . . 100.2(9) ? F55A C54A C45A . . 112.1(7) ? F56A C54A F55A . . 104.3(8) ? F56A C54A F57A . . 109.8(8) ? F56A C54A C45A . . 116.3(10) ? F57A C54A C45A . . 112.6(7) ? O16B C17C C26C . . 110.0(19) ? O16B C17C C18C . . 108.4(17) ? O16B C17C C22C . . 107.9(18) ? C26C C17C C18C . . 109(2) ? C26C C17C C22C . . 112.0(19) ? C18C C17C C22C . . 110(2) ? F29C C26C C17C . . 114(3) ? F29C C26C F27C . . 107(3) ? F29C C26C F28C . . 106(3) ? F27C C26C C17C . . 111(2) ? F27C C26C F28C . . 108(3) ? F28C C26C C17C . . 112(2) ? F21C C18C C17C . . 106(2) ? F21C C18C F19C . . 111(3) ? F20C C18C C17C . . 113(2) ? F20C C18C F21C . . 108(3) ? F20C C18C F19C . . 107(3) ? F19C C18C C17C . . 112(3) ? F23C C22C C17C . . 112(3) ? F23C C22C F25C . . 107(3) ? F23C C22C F24C . . 107(3) ? F25C C22C C17C . . 107(2) ? F24C C22C C17C . . 107(2) ? F24C C22C F25C . . 117(3) ? 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 Ag01 N1E . 2.272(8) ? Ag01 N1F . 2.383(8) ? Ag01 N1G . 2.238(9) ? Ag01 N1H . 2.280(8) ? Ag02 N1A . 2.240(7) ? Ag02 N1B . 2.371(9) ? Ag02 N1C . 2.207(8) ? Ag02 N1D . 2.252(7) ? Al1A O2A . 1.724(6) ? Al1A O16A . 1.737(5) ? Al1A O30A . 1.726(5) ? Al1A O44A . 1.718(5) ? Al1B O2B . 1.722(5) ? Al1B O16B . 1.721(5) ? Al1B O30B . 1.723(5) ? Al1B O44B . 1.705(5) ? F5B C4B . 1.328(10) ? F6B C4B . 1.319(9) ? F7B C4B . 1.343(10) ? F9B C8B . 1.349(10) ? F10B C8B . 1.324(10) ? F11B C8B . 1.334(9) ? F13B C12B . 1.339(10) ? F14B C12B . 1.318(10) ? F15B C12B . 1.345(9) ? F19B C18B . 1.358(14) ? F20B C18B . 1.302(18) ? F21B C18B . 1.331(12) ? F23B C22B . 1.304(16) ? F24B C22B . 1.338(17) ? F25B C22B . 1.371(13) ? F27B C26B . 1.347(16) ? F28B C26B . 1.357(16) ? F29B C26B . 1.303(14) ? F33B C32B . 1.325(10) ? F34B C32B . 1.341(10) ? F35B C32B . 1.321(10) ? F37B C36B . 1.351(11) ? F38B C36B . 1.346(10) ? F39B C36B . 1.298(12) ? F41B C40B . 1.355(9) ? F42B C40B . 1.341(12) ? F43B C40B . 1.311(11) ? F47B C46B . 1.361(10) ? F48B C46B . 1.293(11) ? F49B C46B . 1.342(11) ? F51B C50B . 1.335(11) ? F52B C50B . 1.344(13) ? F53B C50B . 1.327(12) ? F55B C54B . 1.361(15) ? F56B C54B . 1.306(13) ? F57B C54B . 1.321(11) ? O2B C3B . 1.350(8) ? O16B C17B . 1.362(10) ? O16B C17C . 1.32(2) ? O30B C31B . 1.351(8) ? O44B C45B . 1.361(9) ? C3B C4B . 1.541(11) ? C3B C8B . 1.561(11) ? C3B C12B . 1.546(10) ? C17B C18B . 1.546(14) ? C17B C22B . 1.534(14) ? C17B C26B . 1.559(14) ? C31B C32B . 1.561(11) ? C31B C36B . 1.544(11) ? C31B C40B . 1.531(12) ? C45B C46B . 1.564(12) ? C45B C50B . 1.535(13) ? C45B C54B . 1.541(13) ? F00S C2F . 1.315(9) ? F1 C2 . 1.340(9) ? F1A C1 . 1.345(9) ? F1B C4 . 1.311(11) ? F1C C1C . 1.331(10) ? F1D C1D . 1.322(10) ? F1E C1E . 1.309(10) ? F1F C1F . 1.318(10) ? F1G C1G . 1.325(11) ? F1H C1H . 1.327(9) ? F2 C3 . 1.341(10) ? F2A C2A . 1.334(10) ? F2B C2B . 1.324(10) ? F2C C2C . 1.320(9) ? F2D C2D . 1.344(10) ? F2E C2E . 1.326(10) ? F2G C2G . 1.332(10) ? F2H C2H . 1.338(10) ? F3A C7 . 1.336(10) ? F3B C12 . 1.326(9) ? F3C C3C . 1.334(11) ? F3D C3D . 1.338(10) ? F3E C3E . 1.315(9) ? F3F C3F . 1.318(9) ? F3G C3G . 1.320(10) ? F3H C3H . 1.338(10) ? F5A C4A . 1.322(10) ? F5C C5C . 1.342(9) ? F5D C5D . 1.326(10) ? F5E C5E . 1.326(10) ? F5F C5F . 1.307(10) ? F5G C5G . 1.332(9) ? F5H C5H . 1.306(9) ? F6A C4A . 1.317(10) ? F6C C6C . 1.345(11) ? F6D C6D . 1.323(10) ? F6E C6E . 1.308(11) ? F6F C6F . 1.340(10) ? F6G C6G . 1.327(10) ? F6H C6H . 1.319(10) ? F7A C4A . 1.357(10) ? F9A C8A . 1.369(12) ? F10A C8A . 1.370(11) ? F11A C8A . 1.325(11) ? F13A C12A . 1.360(11) ? F14A C12A . 1.350(10) ? F15A C12A . 1.296(12) ? F18 C5 . 1.336(11) ? F19A C18A . 1.345(13) ? F20 C6 . 1.333(11) ? F20A C18A . 1.349(11) ? F21A C18A . 1.352(12) ? F23A C22A . 1.379(16) ? F24A C22A . 1.349(12) ? F25A C22A . 1.298(14) ? F27A C26A . 1.318(11) ? F28A C26A . 1.337(12) ? F29A C26A . 1.361(10) ? F33A C32A . 1.303(10) ? F34A C32A . 1.349(10) ? F35A C32A . 1.334(10) ? F37A C36A . 1.343(9) ? F38A C36A . 1.354(9) ? F39A C36A . 1.317(9) ? F41A C40A . 1.331(10) ? F42A C40A . 1.366(11) ? F43A C40A . 1.322(10) ? F47A C46A . 1.317(11) ? F48A C46A . 1.363(13) ? F49A C46A . 1.255(14) ? F51A C50A . 1.287(12) ? F52A C50A . 1.333(11) ? F53A C50A . 1.280(12) ? F55A C54A . 1.345(13) ? F56A C54A . 1.291(11) ? F57A C54A . 1.359(11) ? O2A C3A . 1.364(9) ? O16A C17A . 1.345(9) ? O30A C31A . 1.352(8) ? O44A C45A . 1.352(9) ? N1A C7A . 1.157(11) ? N1B C7B . 1.124(13) ? N1C C7C . 1.156(12) ? N1D C7D . 1.147(11) ? N1E C7E . 1.129(12) ? N1F C05L . 1.136(12) ? N1G C7G . 1.129(12) ? N1H C7H . 1.137(11) ? C1 C2A . 1.366(13) ? C1 C3 . 1.377(13) ? C1C C2C . 1.380(13) ? C1C C6C . 1.382(12) ? C1D C2D . 1.361(13) ? C1D C6D . 1.388(12) ? C1E C2E . 1.380(13) ? C1E C6E . 1.380(14) ? C1F C2F . 1.401(12) ? C1F C6F . 1.359(13) ? C1G C2G . 1.366(15) ? C1G C6G . 1.391(12) ? C1H C2H . 1.381(12) ? C1H C6H . 1.420(12) ? C2 C3 . 1.348(12) ? C2 C8 . 1.407(12) ? C2A C7 . 1.358(12) ? C2B C4 . 1.387(12) ? C2B C12 . 1.365(12) ? C2C C3C . 1.379(12) ? C2D C3D . 1.389(13) ? C2E C3E . 1.377(12) ? C2F C3F . 1.380(12) ? C2G C3G . 1.391(14) ? C2H C3H . 1.349(12) ? C3A C4A . 1.559(11) ? C3A C8A . 1.514(12) ? C3A C12A . 1.548(12) ? C3C C4C . 1.376(12) ? C3D C4D . 1.385(12) ? C3E C4E . 1.394(12) ? C3F C4F . 1.390(12) ? C3G C4G . 1.389(12) ? C3H C4H . 1.390(11) ? C4 C6 . 1.394(14) ? C4C C5C . 1.400(13) ? C4C C7C . 1.409(13) ? C4D C5D . 1.400(12) ? C4D C7D . 1.425(12) ? C4E C5E . 1.386(12) ? C4E C7E . 1.438(12) ? C4F C5F . 1.380(12) ? C4F C05L . 1.444(13) ? C4G C5G . 1.380(13) ? C4G C7G . 1.436(13) ? C4H C5H . 1.414(12) ? C4H C7H . 1.427(12) ? C5 C6 . 1.352(15) ? C5 C9 . 1.388(13) ? C5C C6C . 1.352(13) ? C5D C6D . 1.380(12) ? C5E C6E . 1.382(12) ? C5F C6F . 1.392(13) ? C5G C6G . 1.381(13) ? C5H C6H . 1.351(13) ? C7 C8 . 1.397(11) ? C7A C8 . 1.406(12) ? C7B C9 . 1.448(14) ? C9 C12 . 1.398(12) ? C17A C18A . 1.531(14) ? C17A C22A . 1.524(14) ? C17A C26A . 1.553(13) ? C31A C32A . 1.553(12) ? C31A C36A . 1.555(10) ? C31A C40A . 1.529(11) ? C45A C46A . 1.557(12) ? C45A C50A . 1.552(11) ? C45A C54A . 1.547(13) ? C17C C26C . 1.54(3) ? C17C C18C . 1.54(2) ? C17C C22C . 1.54(2) ? C26C F29C . 1.31(3) ? C26C F27C . 1.35(3) ? C26C F28C . 1.37(3) ? F21C C18C . 1.34(2) ? C18C F20C . 1.30(3) ? C18C F19C . 1.35(3) ? C22C F23C . 1.31(3) ? C22C F25C . 1.37(2) ? C22C F24C . 1.36(3) ? 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 Al1A O2A C3A C4A . . . . 5.1(12) ? Al1A O2A C3A C8A . . . . 125.9(9) ? Al1A O2A C3A C12A . . . . -112.7(9) ? Al1A O16A C17A C18A . . . . -168.2(7) ? Al1A O16A C17A C22A . . . . 71.1(12) ? Al1A O16A C17A C26A . . . . -50.1(13) ? Al1A O30A C31A C32A . . . . 86.1(10) ? Al1A O30A C31A C36A . . . . -33.7(12) ? Al1A O30A C31A C40A . . . . -154.2(8) ? Al1A O44A C45A C46A . . . . -74.4(13) ? Al1A O44A C45A C50A . . . . 163.8(8) ? Al1A O44A C45A C54A . . . . 45.1(13) ? Al1B O2B C3B C4B . . . . -68.1(11) ? Al1B O2B C3B C8B . . . . 173.5(7) ? Al1B O2B C3B C12B . . . . 53.9(12) ? Al1B O16B C17B C18B . . . . -27.7(15) ? Al1B O16B C17B C22B . . . . 97.4(12) ? Al1B O16B C17B C26B . . . . -145.9(9) ? Al1B O16B C17C C26C . . . . -155(2) ? Al1B O16B C17C C18C . . . . -36(4) ? Al1B O16B C17C C22C . . . . 83(3) ? Al1B O30B C31B C32B . . . . 129.5(8) ? Al1B O30B C31B C36B . . . . -114.0(9) ? Al1B O30B C31B C40B . . . . 8.9(13) ? Al1B O44B C45B C46B . . . . -61.8(13) ? Al1B O44B C45B C50B . . . . -179.2(8) ? Al1B O44B C45B C54B . . . . 57.5(14) ? O2B Al1B O16B C17B . . . . -25.1(11) ? O2B Al1B O16B C17C . . . . -37(3) ? O2B Al1B O30B C31B . . . . -168.7(9) ? O2B Al1B O44B C45B . . . . -76.1(11) ? O2B C3B C4B F5B . . . . -161.6(6) ? O2B C3B C4B F6B . . . . -40.4(9) ? O2B C3B C4B F7B . . . . 77.5(8) ? O2B C3B C8B F9B . . . . -42.4(8) ? O2B C3B C8B F10B . . . . 76.1(8) ? O2B C3B C8B F11B . . . . -162.2(7) ? O2B C3B C12B F13B . . . . 73.9(8) ? O2B C3B C12B F14B . . . . -45.5(9) ? O2B C3B C12B F15B . . . . -166.4(6) ? O16B Al1B O2B C3B . . . . 161.5(9) ? O16B Al1B O30B C31B . . . . 74.2(10) ? O16B Al1B O44B C45B . . . . 44.1(11) ? O16B C17B C18B F19B . . . . 81.0(10) ? O16B C17B C18B F20B . . . . -36.4(14) ? O16B C17B C18B F21B . . . . -161.4(10) ? O16B C17B C22B F23B . . . . 71.7(13) ? O16B C17B C22B F24B . . . . -49.2(12) ? O16B C17B C22B F25B . . . . -165.1(10) ? O16B C17B C26B F27B . . . . -39.9(13) ? O16B C17B C26B F28B . . . . 76.7(12) ? O16B C17B C26B F29B . . . . -161.1(11) ? O16B C17C C26C F29C . . . . 160(3) ? O16B C17C C26C F27C . . . . -79(3) ? O16B C17C C26C F28C . . . . 41(3) ? O16B C17C C18C F21C . . . . 159(2) ? O16B C17C C18C F20C . . . . -83(3) ? O16B C17C C18C F19C . . . . 38(3) ? O16B C17C C22C F23C . . . . 45(3) ? O16B C17C C22C F25C . . . . 163(2) ? O16B C17C C22C F24C . . . . -72(3) ? O30B Al1B O2B C3B . . . . 42.3(10) ? O30B Al1B O16B C17B . . . . 91.9(10) ? O30B Al1B O16B C17C . . . . 80(3) ? O30B Al1B O44B C45B . . . . 164.6(10) ? O30B C31B C32B F33B . . . . -47.4(9) ? O30B C31B C32B F34B . . . . -167.9(6) ? O30B C31B C32B F35B . . . . 72.6(8) ? O30B C31B C36B F37B . . . . 79.7(9) ? O30B C31B C36B F38B . . . . -162.7(7) ? O30B C31B C36B F39B . . . . -38.9(9) ? O30B C31B C40B F41B . . . . -167.4(7) ? O30B C31B C40B F42B . . . . 74.4(9) ? O30B C31B C40B F43B . . . . -46.2(10) ? O44B Al1B O2B C3B . . . . -77.5(10) ? O44B Al1B O16B C17B . . . . -149.3(10) ? O44B Al1B O16B C17C . . . . -161(3) ? O44B Al1B O30B C31B . . . . -45.2(10) ? O44B C45B C46B F47B . . . . -163.0(7) ? O44B C45B C46B F48B . . . . -42.1(10) ? O44B C45B C46B F49B . . . . 77.5(9) ? O44B C45B C50B F51B . . . . -164.5(8) ? O44B C45B C50B F52B . . . . 75.1(9) ? O44B C45B C50B F53B . . . . -43.9(11) ? O44B C45B C54B F55B . . . . 78.2(9) ? O44B C45B C54B F56B . . . . -40.1(12) ? O44B C45B C54B F57B . . . . -164.7(9) ? C4B C3B C8B F9B . . . . -163.1(6) ? C4B C3B C8B F10B . . . . -44.5(8) ? C4B C3B C8B F11B . . . . 77.2(8) ? C4B C3B C12B F13B . . . . -162.8(6) ? C4B C3B C12B F14B . . . . 77.7(8) ? C4B C3B C12B F15B . . . . -43.1(9) ? C8B C3B C4B F5B . . . . -43.3(8) ? C8B C3B C4B F6B . . . . 77.8(8) ? C8B C3B C4B F7B . . . . -164.3(6) ? C8B C3B C12B F13B . . . . -44.7(8) ? C8B C3B C12B F14B . . . . -164.1(7) ? C8B C3B C12B F15B . . . . 75.0(8) ? C12B C3B C4B F5B . . . . 75.7(8) ? C12B C3B C4B F6B . . . . -163.1(6) ? C12B C3B C4B F7B . . . . -45.2(8) ? C12B C3B C8B F9B . . . . 77.8(8) ? C12B C3B C8B F10B . . . . -163.6(7) ? C12B C3B C8B F11B . . . . -41.9(9) ? C18B C17B C22B F23B . . . . -161.3(11) ? C18B C17B C22B F24B . . . . 77.7(11) ? C18B C17B C22B F25B . . . . -38.2(14) ? C18B C17B C26B F27B . . . . -162.7(10) ? C18B C17B C26B F28B . . . . -46.1(12) ? C18B C17B C26B F29B . . . . 76.1(14) ? C22B C17B C18B F19B . . . . -43.5(11) ? C22B C17B C18B F20B . . . . -160.9(11) ? C22B C17B C18B F21B . . . . 74.1(14) ? C22B C17B C26B F27B . . . . 78.1(12) ? C22B C17B C26B F28B . . . . -165.2(10) ? C22B C17B C26B F29B . . . . -43.1(16) ? C26B C17B C18B F19B . . . . -160.6(8) ? C26B C17B C18B F20B . . . . 82.0(12) ? C26B C17B C18B F21B . . . . -43.0(14) ? C26B C17B C22B F23B . . . . -44.8(14) ? C26B C17B C22B F24B . . . . -165.7(10) ? C26B C17B C22B F25B . . . . 78.4(13) ? C32B C31B C36B F37B . . . . -164.2(7) ? C32B C31B C36B F38B . . . . -46.5(10) ? C32B C31B C36B F39B . . . . 77.3(8) ? C32B C31B C40B F41B . . . . 73.4(10) ? C32B C31B C40B F42B . . . . -44.8(9) ? C32B C31B C40B F43B . . . . -165.4(7) ? C36B C31B C32B F33B . . . . -164.5(7) ? C36B C31B C32B F34B . . . . 75.0(9) ? C36B C31B C32B F35B . . . . -44.4(9) ? C36B C31B C40B F41B . . . . -45.6(10) ? C36B C31B C40B F42B . . . . -163.8(6) ? C36B C31B C40B F43B . . . . 75.6(9) ? C40B C31B C32B F33B . . . . 74.7(8) ? C40B C31B C32B F34B . . . . -45.9(9) ? C40B C31B C32B F35B . . . . -165.3(7) ? C40B C31B C36B F37B . . . . -44.0(9) ? C40B C31B C36B F38B . . . . 73.6(9) ? C40B C31B C36B F39B . . . . -162.6(7) ? C46B C45B C50B F51B . . . . 76.9(10) ? C46B C45B C50B F52B . . . . -43.6(10) ? C46B C45B C50B F53B . . . . -162.6(8) ? C46B C45B C54B F55B . . . . -161.6(7) ? C46B C45B C54B F56B . . . . 80.1(10) ? C46B C45B C54B F57B . . . . -44.5(12) ? C50B C45B C46B F47B . . . . -44.5(9) ? C50B C45B C46B F48B . . . . 76.4(9) ? C50B C45B C46B F49B . . . . -164.0(7) ? C50B C45B C54B F55B . . . . -43.9(10) ? C50B C45B C54B F56B . . . . -162.2(9) ? C50B C45B C54B F57B . . . . 73.2(13) ? C54B C45B C46B F47B . . . . 75.6(9) ? C54B C45B C46B F48B . . . . -163.6(8) ? C54B C45B C46B F49B . . . . -43.9(9) ? C54B C45B C50B F51B . . . . -41.1(12) ? C54B C45B C50B F52B . . . . -161.6(8) ? C54B C45B C50B F53B . . . . 79.4(10) ? F00S C2F C3F F3F . . . . 1.1(11) ? F00S C2F C3F C4F . . . . 180.0(7) ? F1 C2 C3 F2 . . . . -0.8(12) ? F1 C2 C3 C1 . . . . -179.3(7) ? F1 C2 C8 C7 . . . . 178.2(7) ? F1 C2 C8 C7A . . . . -3.1(12) ? F1A C1 C2A F2A . . . . -2.4(12) ? F1A C1 C2A C7 . . . . 179.5(7) ? F1A C1 C3 F2 . . . . 2.4(12) ? F1A C1 C3 C2 . . . . -179.1(7) ? F1B C4 C6 F20 . . . . -1.1(12) ? F1B C4 C6 C5 . . . . 178.5(8) ? F1C C1C C2C F2C . . . . -1.4(12) ? F1C C1C C2C C3C . . . . -178.9(7) ? F1C C1C C6C F6C . . . . -3.4(13) ? F1C C1C C6C C5C . . . . 179.6(8) ? F1D C1D C2D F2D . . . . -0.3(13) ? F1D C1D C2D C3D . . . . -178.4(8) ? F1D C1D C6D F6D . . . . 1.3(13) ? F1D C1D C6D C5D . . . . 178.4(8) ? F1E C1E C2E F2E . . . . -2.8(12) ? F1E C1E C2E C3E . . . . 179.8(8) ? F1E C1E C6E F6E . . . . -4.0(13) ? F1E C1E C6E C5E . . . . -179.9(8) ? F1F C1F C2F F00S . . . . -3.3(11) ? F1F C1F C2F C3F . . . . 180.0(7) ? F1F C1F C6F F6F . . . . 2.2(11) ? F1F C1F C6F C5F . . . . -178.8(7) ? F1G C1G C2G F2G . . . . -3.2(12) ? F1G C1G C2G C3G . . . . -178.0(8) ? F1G C1G C6G F6G . . . . -0.9(13) ? F1G C1G C6G C5G . . . . -179.2(8) ? F1H C1H C2H F2H . . . . -2.2(12) ? F1H C1H C2H C3H . . . . 177.6(8) ? F1H C1H C6H F6H . . . . 0.9(12) ? F1H C1H C6H C5H . . . . -179.9(7) ? F2A C2A C7 F3A . . . . 3.5(12) ? F2A C2A C7 C8 . . . . 180.0(7) ? F2B C2B C4 F1B . . . . 0.7(11) ? F2B C2B C4 C6 . . . . -179.2(7) ? F2B C2B C12 F3B . . . . 1.7(12) ? F2B C2B C12 C9 . . . . 179.5(7) ? F2C C2C C3C F3C . . . . 2.2(12) ? F2C C2C C3C C4C . . . . -178.4(7) ? F2D C2D C3D F3D . . . . -0.7(13) ? F2D C2D C3D C4D . . . . 180.0(8) ? F2E C2E C3E F3E . . . . 3.7(12) ? F2E C2E C3E C4E . . . . -176.1(7) ? F2G C2G C3G F3G . . . . 4.8(12) ? F2G C2G C3G C4G . . . . -179.1(7) ? F2H C2H C3H F3H . . . . -0.5(13) ? F2H C2H C3H C4H . . . . -176.9(8) ? F3A C7 C8 C2 . . . . 179.2(7) ? F3A C7 C8 C7A . . . . 0.5(11) ? F3C C3C C4C C5C . . . . -179.4(7) ? F3C C3C C4C C7C . . . . 1.0(13) ? F3D C3D C4D C5D . . . . -177.0(8) ? F3D C3D C4D C7D . . . . -0.1(13) ? F3E C3E C4E C5E . . . . 177.7(7) ? F3E C3E C4E C7E . . . . -0.6(12) ? F3F C3F C4F C5F . . . . -177.6(7) ? F3F C3F C4F C05L . . . . -3.4(11) ? F3G C3G C4G C5G . . . . 179.1(7) ? F3G C3G C4G C7G . . . . -5.6(11) ? F3H C3H C4H C5H . . . . -178.1(7) ? F3H C3H C4H C7H . . . . 5.2(12) ? F5C C5C C6C F6C . . . . 3.2(12) ? F5C C5C C6C C1C . . . . -179.8(7) ? F5D C5D C6D F6D . . . . -2.2(14) ? F5D C5D C6D C1D . . . . -179.2(8) ? F5E C5E C6E F6E . . . . 3.6(13) ? F5E C5E C6E C1E . . . . 179.4(8) ? F5F C5F C6F F6F . . . . -2.3(12) ? F5F C5F C6F C1F . . . . 178.7(7) ? F5G C5G C6G F6G . . . . 1.3(12) ? F5G C5G C6G C1G . . . . 179.5(7) ? F5H C5H C6H F6H . . . . 0.5(13) ? F5H C5H C6H C1H . . . . -178.7(7) ? F18 C5 C6 F20 . . . . 2.0(13) ? F18 C5 C6 C4 . . . . -177.5(8) ? F18 C5 C9 C7B . . . . 0.6(13) ? F18 C5 C9 C12 . . . . 177.9(8) ? O2A Al1A O16A C17A . . . . 32.5(10) ? O2A Al1A O30A C31A . . . . 92.4(9) ? O2A Al1A O44A C45A . . . . 162.8(10) ? O2A C3A C4A F5A . . . . -43.9(9) ? O2A C3A C4A F6A . . . . -165.9(6) ? O2A C3A C4A F7A . . . . 74.4(8) ? O2A C3A C8A F9A . . . . -43.6(9) ? O2A C3A C8A F10A . . . . 73.7(9) ? O2A C3A C8A F11A . . . . -164.2(8) ? O2A C3A C12A F13A . . . . -47.4(9) ? O2A C3A C12A F14A . . . . -163.4(7) ? O2A C3A C12A F15A . . . . 74.7(9) ? O16A Al1A O2A C3A . . . . -171.5(9) ? O16A Al1A O30A C31A . . . . -25.8(10) ? O16A Al1A O44A C45A . . . . -78.8(11) ? O16A C17A C18A F19A . . . . 76.5(9) ? O16A C17A C18A F20A . . . . -159.6(8) ? O16A C17A C18A F21A . . . . -40.9(10) ? O16A C17A C22A F23A . . . . 73.8(10) ? O16A C17A C22A F24A . . . . -166.3(10) ? O16A C17A C22A F25A . . . . -43.1(13) ? O16A C17A C26A F27A . . . . -40.6(10) ? O16A C17A C26A F28A . . . . 81.8(9) ? O16A C17A C26A F29A . . . . -158.9(8) ? O30A Al1A O2A C3A . . . . 69.7(9) ? O30A Al1A O16A C17A . . . . 154.3(9) ? O30A Al1A O44A C45A . . . . 41.6(11) ? O30A C31A C32A F33A . . . . -46.8(9) ? O30A C31A C32A F34A . . . . 70.6(8) ? O30A C31A C32A F35A . . . . -170.5(7) ? O30A C31A C36A F37A . . . . 82.6(7) ? O30A C31A C36A F38A . . . . -157.5(6) ? O30A C31A C36A F39A . . . . -37.4(9) ? O30A C31A C40A F41A . . . . -40.3(9) ? O30A C31A C40A F42A . . . . 75.7(8) ? O30A C31A C40A F43A . . . . -163.5(7) ? O44A Al1A O2A C3A . . . . -47.9(10) ? O44A Al1A O16A C17A . . . . -85.9(10) ? O44A Al1A O30A C31A . . . . -150.3(9) ? O44A C45A C46A F47A . . . . -167.5(8) ? O44A C45A C46A F48A . . . . 75.4(10) ? O44A C45A C46A F49A . . . . -43.9(11) ? O44A C45A C50A F51A . . . . 76.3(10) ? O44A C45A C50A F52A . . . . -170.0(8) ? O44A C45A C50A F53A . . . . -50.0(10) ? O44A C45A C54A F55A . . . . 69.0(9) ? O44A C45A C54A F56A . . . . -171.1(8) ? O44A C45A C54A F57A . . . . -43.1(11) ? C1 C2A C7 F3A . . . . -178.4(8) ? C1 C2A C7 C8 . . . . -1.9(12) ? C1C C2C C3C F3C . . . . 179.7(7) ? C1C C2C C3C C4C . . . . -0.9(12) ? C1D C2D C3D F3D . . . . 177.4(8) ? C1D C2D C3D C4D . . . . -2.0(14) ? C1E C2E C3E F3E . . . . -178.9(7) ? C1E C2E C3E C4E . . . . 1.4(12) ? C1F C2F C3F F3F . . . . 177.8(7) ? C1F C2F C3F C4F . . . . -3.3(11) ? C1G C2G C3G F3G . . . . 179.6(8) ? C1G C2G C3G C4G . . . . -4.4(12) ? C1H C2H C3H F3H . . . . 179.7(8) ? C1H C2H C3H C4H . . . . 3.3(13) ? C2A C1 C3 F2 . . . . -178.8(8) ? C2A C1 C3 C2 . . . . -0.3(12) ? C2A C7 C8 C2 . . . . 2.6(11) ? C2A C7 C8 C7A . . . . -176.0(8) ? C2B C4 C6 F20 . . . . 178.9(7) ? C2B C4 C6 C5 . . . . -1.6(12) ? C2C C1C C6C F6C . . . . 177.8(8) ? C2C C1C C6C C5C . . . . 0.8(13) ? C2C C3C C4C C5C . . . . 1.3(12) ? C2C C3C C4C C7C . . . . -178.4(8) ? C2D C1D C6D F6D . . . . -178.4(8) ? C2D C1D C6D C5D . . . . -1.4(13) ? C2D C3D C4D C5D . . . . 2.4(13) ? C2D C3D C4D C7D . . . . 179.2(8) ? C2E C1E C6E F6E . . . . 175.9(8) ? C2E C1E C6E C5E . . . . 0.0(13) ? C2E C3E C4E C5E . . . . -2.5(12) ? C2E C3E C4E C7E . . . . 179.1(7) ? C2F C1F C6F F6F . . . . -179.8(7) ? C2F C1F C6F C5F . . . . -0.7(12) ? C2F C3F C4F C5F . . . . 3.5(11) ? C2F C3F C4F C05L . . . . 177.8(7) ? C2G C1G C6G F6G . . . . 178.2(8) ? C2G C1G C6G C5G . . . . -0.1(13) ? C2G C3G C4G C5G . . . . 3.0(11) ? C2G C3G C4G C7G . . . . 178.3(7) ? C2H C1H C6H F6H . . . . -178.9(8) ? C2H C1H C6H C5H . . . . 0.3(12) ? C2H C3H C4H C5H . . . . -1.6(12) ? C2H C3H C4H C7H . . . . -178.3(8) ? C3 C1 C2A F2A . . . . 178.8(8) ? C3 C1 C2A C7 . . . . 0.7(13) ? C3 C2 C8 C7 . . . . -2.2(12) ? C3 C2 C8 C7A . . . . 176.5(8) ? C3C C4C C5C F5C . . . . 178.8(7) ? C3C C4C C5C C6C . . . . -0.6(12) ? C3D C4D C5D F5D . . . . 178.7(8) ? C3D C4D C5D C6D . . . . -2.3(13) ? C3E C4E C5E F5E . . . . -178.2(7) ? C3E C4E C5E C6E . . . . 2.5(12) ? C3F C4F C5F F5F . . . . 180.0(7) ? C3F C4F C5F C6F . . . . -2.3(11) ? C3G C4G C5G F5G . . . . 179.0(7) ? C3G C4G C5G C6G . . . . -0.2(12) ? C3H C4H C5H F5H . . . . 179.3(7) ? C3H C4H C5H C6H . . . . -0.8(12) ? C4 C2B C12 F3B . . . . -178.4(7) ? C4 C2B C12 C9 . . . . -0.5(12) ? C4A C3A C8A F9A . . . . 79.5(8) ? C4A C3A C8A F10A . . . . -163.1(7) ? C4A C3A C8A F11A . . . . -41.0(11) ? C4A C3A C12A F13A . . . . -168.4(7) ? C4A C3A C12A F14A . . . . 75.6(9) ? C4A C3A C12A F15A . . . . -46.3(9) ? C4C C5C C6C F6C . . . . -177.4(8) ? C4C C5C C6C C1C . . . . -0.4(13) ? C4D C5D C6D F6D . . . . 178.9(8) ? C4D C5D C6D C1D . . . . 1.8(14) ? C4E C5E C6E F6E . . . . -177.0(8) ? C4E C5E C6E C1E . . . . -1.2(13) ? C4F C5F C6F F6F . . . . 180.0(7) ? C4F C5F C6F C1F . . . . 0.9(12) ? C4G C5G C6G F6G . . . . -179.5(8) ? C4G C5G C6G C1G . . . . -1.2(12) ? C4H C5H C6H F6H . . . . -179.5(7) ? C4H C5H C6H C1H . . . . 1.4(12) ? C5 C9 C12 F3B . . . . 178.7(7) ? C5 C9 C12 C2B . . . . 0.9(12) ? C05L C4F C5F F5F . . . . 5.9(12) ? C05L C4F C5F C6F . . . . -176.4(7) ? C6 C5 C9 C7B . . . . -179.0(9) ? C6 C5 C9 C12 . . . . -1.6(13) ? C6C C1C C2C F2C . . . . 177.4(7) ? C6C C1C C2C C3C . . . . -0.2(12) ? C6D C1D C2D F2D . . . . 179.5(8) ? C6D C1D C2D C3D . . . . 1.4(13) ? C6E C1E C2E F2E . . . . 177.3(8) ? C6E C1E C2E C3E . . . . -0.1(13) ? C6F C1F C2F F00S . . . . 178.7(7) ? C6F C1F C2F C3F . . . . 1.9(11) ? C6G C1G C2G F2G . . . . 177.7(8) ? C6G C1G C2G C3G . . . . 2.9(13) ? C6H C1H C2H F2H . . . . 177.6(8) ? C6H C1H C2H C3H . . . . -2.6(13) ? C7B C9 C12 F3B . . . . -3.8(12) ? C7B C9 C12 C2B . . . . 178.3(8) ? C7C C4C C5C F5C . . . . -1.5(11) ? C7C C4C C5C C6C . . . . 179.1(8) ? C7D C4D C5D F5D . . . . 1.9(13) ? C7D C4D C5D C6D . . . . -179.2(8) ? C7E C4E C5E F5E . . . . 0.2(12) ? C7E C4E C5E C6E . . . . -179.1(8) ? C7G C4G C5G F5G . . . . 3.7(11) ? C7G C4G C5G C6G . . . . -175.5(8) ? C7H C4H C5H F5H . . . . -4.0(11) ? C7H C4H C5H C6H . . . . 176.0(8) ? C8 C2 C3 F2 . . . . 179.6(7) ? C8 C2 C3 C1 . . . . 1.1(12) ? C8A C3A C4A F5A . . . . -166.5(7) ? C8A C3A C4A F6A . . . . 71.6(9) ? C8A C3A C4A F7A . . . . -48.2(9) ? C8A C3A C12A F13A . . . . 74.3(8) ? C8A C3A C12A F14A . . . . -41.6(10) ? C8A C3A C12A F15A . . . . -163.5(7) ? C9 C5 C6 F20 . . . . -178.5(8) ? C9 C5 C6 C4 . . . . 2.0(14) ? C12 C2B C4 F1B . . . . -179.2(7) ? C12 C2B C4 C6 . . . . 0.9(12) ? C12A C3A C4A F5A . . . . 74.9(8) ? C12A C3A C4A F6A . . . . -47.1(9) ? C12A C3A C4A F7A . . . . -166.8(7) ? C12A C3A C8A F9A . . . . -164.0(7) ? C12A C3A C8A F10A . . . . -46.7(10) ? C12A C3A C8A F11A . . . . 75.4(10) ? C18A C17A C22A F23A . . . . -45.5(10) ? C18A C17A C22A F24A . . . . 74.4(13) ? C18A C17A C22A F25A . . . . -162.3(9) ? C18A C17A C26A F27A . . . . 77.4(9) ? C18A C17A C26A F28A . . . . -160.2(8) ? C18A C17A C26A F29A . . . . -40.9(11) ? C22A C17A C18A F19A . . . . -162.5(8) ? C22A C17A C18A F20A . . . . -38.7(11) ? C22A C17A C18A F21A . . . . 80.1(10) ? C22A C17A C26A F27A . . . . -162.8(8) ? C22A C17A C26A F28A . . . . -40.4(10) ? C22A C17A C26A F29A . . . . 78.9(10) ? C26A C17A C18A F19A . . . . -43.5(10) ? C26A C17A C18A F20A . . . . 80.4(10) ? C26A C17A C18A F21A . . . . -160.9(8) ? C26A C17A C22A F23A . . . . -163.9(8) ? C26A C17A C22A F24A . . . . -44.0(14) ? C26A C17A C22A F25A . . . . 79.3(11) ? C32A C31A C36A F37A . . . . -38.6(8) ? C32A C31A C36A F38A . . . . 81.3(8) ? C32A C31A C36A F39A . . . . -158.7(6) ? C32A C31A C40A F41A . . . . 80.0(8) ? C32A C31A C40A F42A . . . . -164.0(6) ? C32A C31A C40A F43A . . . . -43.2(10) ? C36A C31A C32A F33A . . . . 75.0(8) ? C36A C31A C32A F34A . . . . -167.6(6) ? C36A C31A C32A F35A . . . . -48.7(9) ? C36A C31A C40A F41A . . . . -161.9(7) ? C36A C31A C40A F42A . . . . -45.9(8) ? C36A C31A C40A F43A . . . . 74.9(9) ? C40A C31A C32A F33A . . . . -165.7(7) ? C40A C31A C32A F34A . . . . -48.3(8) ? C40A C31A C32A F35A . . . . 70.6(9) ? C40A C31A C36A F37A . . . . -157.7(6) ? C40A C31A C36A F38A . . . . -37.8(8) ? C40A C31A C36A F39A . . . . 82.2(8) ? C46A C45A C50A F51A . . . . -45.8(11) ? C46A C45A C50A F52A . . . . 67.9(11) ? C46A C45A C50A F53A . . . . -172.0(8) ? C46A C45A C54A F55A . . . . -169.2(7) ? C46A C45A C54A F56A . . . . -49.3(10) ? C46A C45A C54A F57A . . . . 78.7(10) ? C50A C45A C46A F47A . . . . -47.8(12) ? C50A C45A C46A F48A . . . . -164.8(8) ? C50A C45A C46A F49A . . . . 75.8(10) ? C50A C45A C54A F55A . . . . -48.9(10) ? C50A C45A C54A F56A . . . . 71.0(10) ? C50A C45A C54A F57A . . . . -160.9(8) ? C54A C45A C46A F47A . . . . 71.2(11) ? C54A C45A C46A F48A . . . . -45.8(10) ? C54A C45A C46A F49A . . . . -165.2(9) ? C54A C45A C50A F51A . . . . -164.0(8) ? C54A C45A C50A F52A . . . . -50.3(11) ? C54A C45A C50A F53A . . . . 69.8(10) ? C26C C17C C18C F21C . . . . -81(3) ? C26C C17C C18C F20C . . . . 37(3) ? C26C C17C C18C F19C . . . . 157(3) ? C26C C17C C22C F23C . . . . -76(3) ? C26C C17C C22C F25C . . . . 41(3) ? C26C C17C C22C F24C . . . . 167(2) ? C18C C17C C26C F29C . . . . 42(3) ? C18C C17C C26C F27C . . . . 162(2) ? C18C C17C C26C F28C . . . . -78(3) ? C18C C17C C22C F23C . . . . 163(3) ? C18C C17C C22C F25C . . . . -80(3) ? C18C C17C C22C F24C . . . . 46(3) ? C22C C17C C26C F29C . . . . -80(3) ? C22C C17C C26C F27C . . . . 41(3) ? C22C C17C C26C F28C . . . . 161(3) ? C22C C17C C18C F21C . . . . 41(3) ? C22C C17C C18C F20C . . . . 160(2) ? C22C C17C C18C F19C . . . . -80(3) ? loop_ _twin_individual_id _twin_individual_mass_fraction_refined 1 0.51(2) 2 0.49(2)