#------------------------------------------------------------------------------ #$Date: 2022-09-23 03:06:10 +0100 (Fri, 23 Sep 2022) $ #$Revision: 278103 $ #$URL: svn://www.crystallography.net/cod/cif/2/24/41/2244175.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_2244175 loop_ _publ_author_name 'Naeem, Marilyn' 'Bauer, Barbara E.' 'Chadeayne, Andrew R.' 'Golen, James A.' 'Manke, David R.' _publ_section_title ; The methanol and ethanol solvates of 4-glutarato-N,N-diisopropyltryptamine ; _journal_coeditor_code ZN2023 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first ; ; _journal_paper_doi 10.1107/S2056989022009094 _journal_volume 78 _journal_year 2022 _chemical_formula_iupac 'C21 H30 N2 O4, C2 H6 O' _chemical_formula_moiety 'C21 H30 N2 O4, C2 H6 O' _chemical_formula_sum 'C23 H36 N2 O5' _chemical_formula_weight 420.54 _chemical_name_systematic '5-[(3-{2-[Bis(propan-2-yl)azaniumyl]ethyl}-1H-indol-4-yl)oxy]-5-oxopentanoate ethanol monosolvate' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _audit_creation_method ; Olex2 1.5 (compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498) ; _cell_angle_alpha 90 _cell_angle_beta 90.749(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.0087(12) _cell_length_b 13.7968(17) _cell_length_c 21.878(3) _cell_measurement_reflns_used 7678 _cell_measurement_temperature 297(2) _cell_measurement_theta_max 24.91 _cell_measurement_theta_min 2.54 _cell_volume 2417.2(6) _computing_cell_refinement ; SAINT (Bruker, 2021) ; _computing_data_collection ; APEX4 (Bruker, 2021) ; _computing_data_reduction ; SAINT (Bruker, 2021) ; _computing_molecular_graphics ; OLEX2 (Dolomanov et al., 2009) ; _computing_publication_material ; publCIF (Westrip, 2010) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2014 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 297.15 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker D8 Venture CMOS' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0550 _diffrn_reflns_av_unetI/netI 0.0260 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 37412 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.428 _diffrn_reflns_theta_min 2.543 _diffrn_source_current 30.0 _diffrn_source_power 1.5 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.081 _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.6921 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2021) ; _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.156 _exptl_crystal_description block _exptl_crystal_F_000 912 _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.27 _exptl_crystal_size_min 0.22 _refine_diff_density_max 0.352 _refine_diff_density_min -0.460 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 313 _refine_ls_number_reflns 4461 _refine_ls_number_restraints 46 _refine_ls_restrained_S_all 1.058 _refine_ls_R_factor_all 0.0902 _refine_ls_R_factor_gt 0.0597 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0772P)^2^+1.2353P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1540 _refine_ls_wR_factor_ref 0.1760 _reflns_number_gt 3038 _reflns_number_total 4461 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file zn2023sup1.cif _cod_data_source_block II _cod_original_cell_volume 2417.2(5) _cod_database_code 2244175 _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 0.976 _shelx_estimated_absorpt_t_max 0.982 _shelx_hkl_file ; 1 0 0 5374.06 133.59 2 0 0 5217.18 130.49 -2 0 0 5029.90 129.19 -3 0 0 29.10 2.50 3 0 0 25.90 2.40 3 0 0 28.40 2.50 -3 0 0 24.70 2.20 4 0 0 198.78 6.00 -4 0 0 195.98 5.90 -4 0 0 197.98 5.90 4 0 0 193.68 5.80 -5 0 0 0.60 2.30 -5 0 0 2.40 2.50 5 0 0 2.00 2.40 5 0 0 -0.60 2.40 6 0 0 25.60 3.70 -6 0 0 24.90 3.40 -6 0 0 14.90 3.20 6 0 0 19.20 3.50 -7 0 0 68.89 5.50 7 0 0 68.09 5.80 7 0 0 61.69 5.60 -7 0 0 63.09 5.40 -8 0 0 2.10 3.50 -8 0 0 -2.00 3.20 8 0 0 1.10 3.80 8 0 0 2.70 3.70 9 0 0 -4.70 4.00 9 0 0 2.60 4.00 -9 0 0 -2.90 3.90 -9 0 0 -2.40 3.30 -1 -1 0 205.78 4.40 1 -1 0 203.08 4.50 1 1 0 204.88 4.40 -1 1 0 199.08 4.50 2 -1 0 1567.44 30.20 2 -1 0 1573.04 30.20 -2 -1 0 1545.15 30.10 -2 -1 0 1520.65 30.10 2 1 0 1537.95 30.10 -2 1 0 1559.94 30.20 -2 1 0 1572.74 30.20 2 1 0 1523.15 30.10 -3 -1 0 602.04 12.90 3 -1 0 627.74 13.00 -3 -1 0 621.24 12.90 3 -1 0 614.24 13.00 -3 1 0 602.44 12.90 3 1 0 610.14 12.90 3 1 0 601.94 12.90 4 -1 0 9.90 2.50 4 -1 0 6.10 2.30 -4 -1 0 6.30 2.40 -4 -1 0 7.90 2.30 4 1 0 13.00 2.70 -4 1 0 13.80 2.50 4 1 0 10.00 2.40 -4 1 0 9.00 2.40 5 -1 0 20.60 3.00 5 -1 0 17.10 2.80 -5 -1 0 15.80 2.90 -5 -1 0 14.00 2.60 5 1 0 19.00 2.90 -5 1 0 21.10 2.80 -5 1 0 15.30 2.70 5 1 0 24.00 2.90 -6 -1 0 135.19 6.00 -6 -1 0 136.49 5.80 6 -1 0 142.59 6.10 6 -1 0 144.09 6.10 -6 1 0 146.49 6.10 -6 1 0 142.19 6.00 6 1 0 131.49 6.10 6 1 0 145.59 6.10 -7 -1 0 56.29 5.40 7 -1 0 59.19 5.50 -7 -1 0 35.20 3.90 7 -1 0 43.90 4.40 -7 1 0 39.60 4.10 7 1 0 52.59 4.90 -7 1 0 57.79 5.40 7 1 0 62.19 5.40 -8 -1 0 20.00 4.30 8 -1 0 31.40 4.80 8 -1 0 21.30 4.50 -8 1 0 18.70 4.00 -8 1 0 20.30 3.90 8 1 0 16.00 4.20 8 1 0 20.70 4.20 9 -1 0 -3.10 4.20 -9 -1 0 -3.30 3.80 -9 -1 0 1.80 3.70 9 -1 0 2.70 4.30 9 1 0 4.30 4.20 9 1 0 10.00 4.40 -9 1 0 5.10 3.60 -9 1 0 -4.00 4.00 0 -2 0 681.43 13.10 0 -2 0 699.73 13.20 0 2 0 632.84 13.10 0 2 0 698.43 13.20 1 -2 0 4230.98 104.59 1 2 0 4314.97 102.49 -1 2 0 4153.78 103.69 2 -2 0 3357.06 99.89 -2 2 0 3553.74 102.19 2 2 0 3422.76 97.79 -3 -2 0 360.16 8.20 3 -2 0 352.16 8.30 3 -2 0 363.46 8.40 -3 -2 0 341.87 8.20 3 2 0 345.07 8.20 -3 2 0 353.96 8.30 3 2 0 350.36 8.20 -3 2 0 355.46 8.30 4 -2 0 358.86 8.90 -4 -2 0 367.16 8.70 4 -2 0 343.77 8.70 -4 -2 0 350.66 8.60 -4 2 0 361.46 8.70 4 2 0 344.87 8.60 4 2 0 356.46 8.70 -4 2 0 343.27 8.70 -5 -2 0 2.70 2.50 5 -2 0 3.00 2.80 5 -2 0 2.90 2.50 -5 -2 0 2.40 2.20 5 2 0 0.10 2.40 5 2 0 3.50 2.40 -5 2 0 4.20 2.50 -5 2 0 5.00 2.40 -6 -2 0 86.89 4.90 6 -2 0 113.59 5.90 -6 -2 0 85.59 5.40 6 -2 0 107.79 5.70 6 2 0 84.59 5.30 6 2 0 93.19 5.40 -6 2 0 102.99 5.40 -6 2 0 96.79 5.30 -7 -2 0 25.80 4.00 7 -2 0 36.20 4.30 7 -2 0 27.10 4.20 -7 2 0 33.40 4.20 -7 2 0 23.80 3.80 7 2 0 24.60 4.20 7 2 0 31.50 5.00 8 -2 0 14.10 4.50 8 -2 0 12.20 4.00 -8 -2 0 16.80 4.60 8 2 0 11.00 4.00 -8 2 0 17.20 4.10 -8 2 0 12.80 4.20 8 2 0 7.30 3.80 9 -2 0 1.20 8.00 -9 -2 0 -1.20 3.70 9 -2 0 -4.40 4.20 -9 2 0 -1.20 3.50 9 2 0 5.40 6.30 9 2 0 2.10 4.00 -9 2 0 -1.20 4.00 0 -3 0 2.60 1.40 0 -3 0 1.70 1.00 0 -3 0 2.60 1.30 0 3 0 1.00 1.50 0 3 0 -0.20 1.30 0 3 0 1.60 1.00 1 -3 0 6.20 1.50 -1 -3 0 3.30 1.30 -1 -3 0 3.70 1.40 1 -3 0 4.70 0.90 1 3 0 3.70 1.40 -1 3 0 2.40 1.50 1 3 0 3.50 1.40 -1 3 0 5.50 1.50 2 -3 0 502.75 11.00 -2 -3 0 513.15 10.80 -2 -3 0 532.65 10.90 2 -3 0 521.75 11.00 -2 3 0 516.65 11.10 -2 3 0 521.75 11.00 2 3 0 532.35 10.80 2 3 0 504.65 11.00 3 -3 0 242.68 6.40 3 -3 0 246.18 6.50 -3 -3 0 239.88 6.30 -3 -3 0 239.38 6.20 -3 3 0 247.08 6.50 3 3 0 244.88 6.30 -3 3 0 242.28 6.50 3 3 0 245.08 6.30 -4 -3 0 87.19 4.10 -4 -3 0 78.39 4.00 4 -3 0 89.69 4.30 4 -3 0 84.69 4.40 -4 3 0 86.19 4.30 4 3 0 84.69 4.00 4 3 0 86.19 4.10 -4 3 0 89.99 4.20 5 -3 0 90.49 4.90 -5 -3 0 85.79 4.40 -5 -3 0 93.09 4.60 5 -3 0 79.89 4.70 -5 3 0 96.09 4.80 -5 3 0 86.59 4.70 5 3 0 89.19 4.60 5 3 0 82.29 4.50 6 -3 0 21.00 3.60 6 -3 0 18.30 3.60 -6 -3 0 16.60 3.40 -6 -3 0 14.40 2.90 6 3 0 12.70 3.30 -6 3 0 23.90 3.50 6 3 0 21.10 3.70 -6 3 0 14.70 3.30 7 -3 0 5.20 3.90 -7 -3 0 5.40 3.60 7 -3 0 1.60 3.40 7 3 0 1.40 3.20 7 3 0 3.00 5.40 -7 3 0 1.50 3.60 -7 3 0 2.30 3.20 -8 -3 0 2.70 6.40 8 -3 0 -3.80 3.70 8 -3 0 2.40 3.80 8 3 0 3.60 3.70 -8 3 0 0.50 3.50 -8 3 0 -3.70 3.40 8 3 0 -2.00 3.60 9 -3 0 -1.10 4.10 -9 -3 0 2.40 4.20 9 -3 0 2.30 4.60 -9 3 0 1.40 4.20 9 3 0 -4.60 4.20 9 3 0 -6.10 5.70 -9 3 0 1.20 4.10 0 -4 0 28.30 2.10 0 -4 0 25.20 2.20 0 -4 0 22.00 1.80 0 4 0 28.90 2.10 0 4 0 26.50 2.20 0 4 0 22.40 1.70 -1 -4 0 2399.96 46.10 -2 -4 0 2.90 1.70 2 -4 0 -1.20 1.70 2 -4 0 2.90 1.80 2 -4 0 1.40 1.10 -2 -4 0 -1.00 1.50 -2 4 0 1.00 1.70 2 4 0 1.50 1.70 2 4 0 1.80 1.50 -2 4 0 -0.30 1.60 3 -4 0 89.59 3.90 -3 -4 0 94.19 3.80 3 -4 0 93.09 4.10 -3 -4 0 93.39 3.90 -3 4 0 91.19 4.10 3 4 0 83.49 3.70 3 4 0 91.59 3.80 -3 4 0 92.79 4.00 4 -4 0 2.20 2.40 -4 -4 0 0.00 2.10 4 -4 0 1.60 2.30 -4 -4 0 1.80 2.10 -4 4 0 -0.70 2.20 4 4 0 1.30 2.10 -4 4 0 -0.70 2.30 4 4 0 2.40 2.30 -5 -4 0 8.10 2.40 5 -4 0 11.70 3.20 5 -4 0 8.30 3.00 -5 -4 0 7.60 2.60 -5 4 0 6.60 2.60 -5 4 0 11.40 2.80 5 4 0 7.80 2.50 5 4 0 12.70 2.60 -6 -4 0 1.40 2.80 6 -4 0 6.20 3.20 -6 -4 0 3.90 3.00 6 -4 0 4.50 3.30 6 4 0 0.00 2.90 -6 4 0 5.00 3.00 6 4 0 9.70 3.20 -6 4 0 2.50 2.90 -7 -4 0 22.50 3.90 7 -4 0 25.50 4.40 7 -4 0 20.30 4.00 7 4 0 24.00 4.10 -7 4 0 25.50 4.20 -7 4 0 22.00 3.90 8 -4 0 11.00 4.20 8 -4 0 12.70 4.30 -8 -4 0 25.90 6.70 -8 4 0 8.60 3.70 -8 4 0 8.40 3.60 8 4 0 18.20 4.20 8 4 0 17.10 4.40 -9 -4 0 9.60 4.10 9 -4 0 7.80 5.70 9 -4 0 -1.30 4.30 9 4 0 -0.80 4.40 9 4 0 -3.10 3.80 -9 4 0 2.10 5.40 -9 4 0 -3.30 4.00 0 -5 0 -0.30 1.50 0 -5 0 0.10 1.30 0 5 0 -0.10 1.50 0 5 0 -0.30 1.00 0 5 0 0.40 1.50 -1 -5 0 566.04 11.80 1 -5 0 567.74 12.00 1 -5 0 571.64 11.30 1 -5 0 571.74 12.00 1 5 0 572.84 11.90 -1 5 0 586.54 12.00 -1 5 0 571.24 12.00 -1 5 0 564.44 11.30 1 5 0 560.24 11.90 1 5 0 570.24 11.80 -2 -5 0 252.87 6.40 -2 -5 0 261.17 6.40 2 -5 0 255.17 7.40 2 -5 0 256.47 6.60 2 -5 0 267.37 5.90 -2 5 0 259.67 6.60 2 5 0 269.27 6.50 -2 5 0 254.77 6.60 2 5 0 269.57 6.50 -3 -5 0 1.90 2.00 -3 -5 0 -0.90 1.80 3 -5 0 -0.70 2.00 3 -5 0 2.00 2.30 3 -5 0 -0.10 1.40 -3 5 0 -1.90 2.20 3 5 0 -1.80 1.80 3 5 0 1.20 1.90 -3 5 0 -1.90 1.90 4 -5 0 13.10 2.70 -4 -5 0 11.60 2.30 4 -5 0 10.60 2.60 -4 -5 0 8.70 2.30 4 5 0 11.50 2.40 -4 5 0 10.30 2.50 4 5 0 7.70 2.40 -4 5 0 11.00 2.60 5 -5 0 0.20 2.80 -5 -5 0 -0.70 2.20 -5 -5 0 0.30 2.50 -5 5 0 2.80 2.80 -5 5 0 -2.30 2.60 5 5 0 2.60 2.50 5 5 0 2.20 2.60 6 -5 0 35.40 4.10 -6 -5 0 35.90 3.90 6 -5 0 27.80 3.80 -6 -5 0 34.70 3.70 6 5 0 41.90 4.20 6 5 0 30.20 4.10 -6 5 0 33.10 4.10 -6 5 0 20.70 3.50 7 -5 0 14.90 3.90 -7 -5 0 8.90 3.60 7 -5 0 11.40 3.70 7 5 0 8.50 3.70 7 5 0 16.70 3.70 -7 5 0 13.20 3.60 -7 5 0 11.60 3.60 -8 -5 0 4.40 4.40 8 -5 0 5.30 4.50 8 -5 0 -6.80 3.90 -8 -5 0 4.00 3.50 -8 5 0 -0.70 3.60 8 5 0 3.00 3.50 -8 5 0 3.70 4.10 8 5 0 -0.60 3.60 -9 -5 0 -2.90 3.90 9 -5 0 2.30 4.80 9 -5 0 4.10 7.20 9 5 0 -4.40 3.80 9 5 0 -7.50 4.20 -9 5 0 -2.70 3.80 0 -6 0 1305.77 25.70 0 -6 0 1267.97 25.70 0 6 0 1329.67 25.40 0 6 0 1303.47 25.70 0 6 0 1291.17 25.70 1 -6 0 28.10 2.70 1 -6 0 27.40 1.70 -1 -6 0 26.90 2.20 1 -6 0 28.70 2.80 -1 -6 0 26.60 2.60 1 6 0 29.40 2.70 -1 6 0 27.30 2.30 1 6 0 31.70 2.80 -1 6 0 25.70 1.70 1 6 0 25.40 2.60 -1 6 0 31.20 2.80 -2 -6 0 30.00 2.50 2 -6 0 22.30 2.30 2 -6 0 24.80 1.90 -2 -6 0 33.10 2.50 2 -6 0 30.60 2.90 2 6 0 28.20 2.70 2 6 0 31.20 2.50 -2 6 0 33.60 2.80 -2 6 0 27.40 2.50 3 -6 0 224.68 6.50 -3 -6 0 224.38 6.30 -3 -6 0 225.78 6.20 3 -6 0 232.98 6.60 3 -6 0 239.08 5.70 -3 6 0 229.78 6.60 -3 6 0 225.48 6.40 3 6 0 220.68 6.20 4 -6 0 18.00 2.80 -4 -6 0 15.50 2.40 4 -6 0 10.80 2.00 4 -6 0 16.40 2.80 -4 -6 0 14.80 2.40 -4 6 0 18.10 3.00 4 6 0 18.00 2.50 4 6 0 16.20 2.60 -4 6 0 13.70 2.80 5 -6 0 -2.60 2.70 5 -6 0 2.90 2.80 -5 -6 0 2.30 2.50 -5 -6 0 1.50 2.50 -5 6 0 1.10 2.70 5 6 0 -1.40 2.40 -5 6 0 -0.50 2.70 5 6 0 1.60 2.70 6 -6 0 3.50 3.30 6 -6 0 2.90 3.50 -6 -6 0 -0.70 3.00 -6 -6 0 -3.80 2.90 6 6 0 -6.00 3.00 -6 6 0 8.80 3.30 6 6 0 0.70 2.90 -6 6 0 0.30 3.10 -7 -6 0 7.80 3.70 7 -6 0 16.00 4.50 7 -6 0 10.10 3.80 7 6 0 16.40 3.90 -7 6 0 11.20 3.70 7 6 0 8.90 3.60 -7 6 0 14.50 3.60 8 -6 0 10.60 4.20 8 -6 0 14.80 4.50 -8 -6 0 11.20 3.50 -8 -6 0 16.50 4.90 8 6 0 16.00 4.00 -8 6 0 14.40 5.80 8 6 0 16.80 4.30 -8 6 0 13.40 4.00 -9 -6 0 1.20 4.20 9 -6 0 11.20 4.40 9 6 0 1.00 4.20 9 6 0 3.80 4.10 -9 6 0 -2.20 3.80 0 -7 0 -0.60 1.80 0 -7 0 0.50 1.70 0 7 0 1.50 1.80 0 7 0 -0.90 1.70 0 7 0 1.10 1.20 -1 -7 0 157.98 4.70 1 -7 0 144.89 3.80 1 -7 0 153.08 4.80 1 -7 0 146.29 4.90 -1 -7 0 151.38 4.60 -1 7 0 145.19 4.70 -1 7 0 149.39 4.80 1 7 0 156.68 4.60 -1 7 0 146.79 3.70 1 7 0 150.18 4.60 1 7 0 152.18 4.70 -2 -7 0 53.59 3.30 2 -7 0 46.00 3.40 2 -7 0 45.40 3.50 2 -7 0 50.49 2.20 -2 -7 0 51.89 3.30 -2 7 0 49.10 3.40 2 7 0 51.59 3.20 -2 7 0 51.29 3.40 2 7 0 61.29 3.40 2 7 0 61.09 3.80 -3 -7 0 35.50 4.10 3 -7 0 38.00 3.10 3 -7 0 34.90 2.40 -3 -7 0 32.80 3.10 3 -7 0 27.60 3.00 3 7 0 37.70 3.40 3 7 0 32.20 2.90 -3 7 0 29.90 2.90 -3 7 0 34.10 2.90 4 -7 0 -0.10 2.50 -4 -7 0 2.20 2.80 4 -7 0 -1.60 2.60 4 -7 0 1.60 1.70 -4 -7 0 0.60 2.50 4 7 0 3.60 2.40 -4 7 0 -2.50 2.40 4 7 0 1.50 2.30 -4 7 0 -0.20 2.60 -5 -7 0 26.90 3.20 5 -7 0 27.50 3.80 -5 -7 0 27.20 3.30 5 -7 0 24.40 3.60 5 -7 0 20.50 2.60 5 7 0 27.40 3.50 5 7 0 20.20 3.10 -5 7 0 22.30 5.70 -5 7 0 22.00 3.30 -6 -7 0 104.79 5.70 6 -7 0 106.99 6.20 6 -7 0 105.39 5.30 -6 -7 0 109.39 5.80 -6 7 0 114.09 6.30 6 7 0 110.79 5.80 -6 7 0 107.09 6.00 6 7 0 111.29 5.80 7 -7 0 -3.90 4.00 -7 -7 0 -4.00 3.20 -7 -7 0 0.80 3.30 7 -7 0 4.60 3.90 7 7 0 0.50 3.20 -7 7 0 4.00 3.60 -7 7 0 2.90 3.30 7 7 0 3.80 3.50 -8 -7 0 4.70 3.90 8 -7 0 8.20 4.20 8 -7 0 3.80 4.30 -8 -7 0 7.30 5.00 -8 7 0 2.40 4.00 8 7 0 1.90 3.70 8 7 0 12.50 4.00 -8 7 0 0.60 3.70 0 -8 0 354.06 8.60 0 -8 0 361.76 8.80 0 8 0 366.76 8.10 0 8 0 358.46 8.60 0 8 0 371.06 8.70 1 -8 0 41.20 3.30 -1 -8 0 32.00 3.00 1 -8 0 37.00 3.10 -1 -8 0 34.90 3.10 1 -8 0 34.10 2.10 -1 8 0 29.50 2.00 1 8 0 30.10 2.90 -1 8 0 31.10 3.10 -1 8 0 31.30 3.10 1 8 0 32.90 3.00 1 8 0 37.10 3.00 -2 -8 0 294.37 7.50 2 -8 0 289.57 7.60 2 -8 0 290.57 6.40 2 -8 0 280.77 7.60 -2 -8 0 293.27 7.40 2 8 0 284.37 7.40 -2 8 0 284.07 7.60 2 8 0 295.67 7.50 -2 8 0 290.67 7.60 2 8 0 290.87 7.80 3 -8 0 23.10 3.00 3 -8 0 30.00 3.30 3 -8 0 25.00 2.30 -3 -8 0 26.60 2.80 -3 -8 0 26.30 2.90 -3 8 0 24.40 2.80 3 8 0 21.30 3.00 3 8 0 27.00 2.90 3 8 0 29.90 2.90 -3 8 0 35.60 3.20 4 -8 0 -2.00 2.40 4 -8 0 1.30 1.80 4 -8 0 -6.10 2.60 -4 -8 0 1.60 2.30 -4 -8 0 2.20 2.60 4 8 0 0.20 3.40 -4 8 0 0.50 2.60 4 8 0 -1.90 2.50 4 8 0 0.00 2.50 -4 8 0 0.70 2.40 -5 -8 0 11.20 2.80 5 -8 0 8.60 2.30 5 -8 0 12.30 3.50 -5 -8 0 15.10 3.10 5 -8 0 9.40 3.30 5 8 0 14.20 3.30 -5 8 0 11.00 3.10 -5 8 0 9.20 3.40 -6 -8 0 -1.50 2.10 6 -8 0 2.50 3.50 6 -8 0 0.80 2.40 -6 -8 0 9.00 3.30 6 -8 0 -2.40 3.50 6 8 0 4.40 3.10 -6 8 0 3.40 3.60 6 8 0 2.60 3.20 -6 8 0 1.10 3.10 7 -8 0 7.90 2.90 -7 -8 0 5.10 3.90 7 -8 0 6.70 3.80 -7 -8 0 5.50 3.70 7 -8 0 24.00 8.50 7 8 0 8.10 4.20 7 8 0 1.10 3.20 -7 8 0 12.70 3.70 -7 8 0 16.60 3.90 8 -8 0 1.20 4.10 8 -8 0 -0.80 3.00 8 8 0 3.60 3.90 -8 8 0 2.40 4.00 8 8 0 1.00 5.40 -8 8 0 -2.40 3.60 0 -9 0 1.50 2.00 0 -9 0 1.80 2.10 0 9 0 2.30 2.00 0 9 0 0.40 1.40 0 9 0 0.30 2.00 -1 -9 0 21.70 2.50 1 -9 0 24.90 2.80 1 -9 0 25.60 2.80 -1 -9 0 17.40 2.30 -1 9 0 18.60 2.50 1 9 0 21.50 2.40 -1 9 0 22.70 2.50 1 9 0 22.70 2.20 1 9 0 22.50 2.50 -2 -9 0 101.59 4.40 2 -9 0 96.09 6.90 2 -9 0 104.69 4.70 -2 -9 0 97.89 4.30 2 -9 0 107.19 3.20 -2 9 0 95.69 4.50 2 9 0 104.69 4.50 2 9 0 96.29 4.50 -2 9 0 94.99 4.60 2 9 0 98.69 4.30 -3 -9 0 30.80 3.00 3 -9 0 30.60 2.30 3 -9 0 34.70 3.40 -3 -9 0 39.80 3.40 3 -9 0 41.70 3.60 3 9 0 33.50 3.40 -3 9 0 32.50 3.30 3 9 0 29.60 3.30 3 9 0 31.30 3.00 -3 9 0 38.20 3.70 4 -9 0 117.89 6.00 4 -9 0 101.99 5.60 -4 -9 0 121.69 5.40 -4 -9 0 126.79 5.20 4 9 0 115.59 6.20 4 9 0 121.99 5.30 4 9 0 132.99 5.40 -4 9 0 117.29 7.00 -4 9 0 115.39 5.90 5 -9 0 232.28 8.30 5 -9 0 235.48 6.70 -5 -9 0 233.88 7.50 -5 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5.30 2 10 0 122.09 5.20 3 -10 0 9.20 2.80 -3 -10 0 8.80 2.80 3 -10 0 5.40 3.00 -3 -10 0 2.60 2.50 3 -10 0 7.70 1.50 3 10 0 4.10 2.90 -3 10 0 5.50 2.70 3 10 0 10.10 2.80 3 10 0 13.80 2.80 4 -10 0 -1.30 1.60 -4 -10 0 2.60 2.70 -4 -10 0 -0.70 3.00 4 -10 0 2.70 3.40 4 10 0 0.00 2.70 4 10 0 -3.90 2.70 4 10 0 -0.90 3.10 -4 10 0 2.20 3.10 -4 10 0 -0.40 3.10 -5 -10 0 0.90 2.10 -5 -10 0 9.90 3.20 5 -10 0 7.60 2.10 5 -10 0 5.80 3.70 5 10 0 4.90 3.00 5 10 0 3.70 3.00 5 10 0 -2.00 3.30 -5 10 0 0.70 3.20 -5 10 0 2.60 3.20 6 -10 0 24.10 4.40 6 -10 0 16.10 2.70 -6 -10 0 19.00 4.10 6 -10 0 12.90 4.60 -6 -10 0 17.20 3.50 6 10 0 25.20 4.00 -6 10 0 18.10 3.80 -6 10 0 27.30 4.20 6 10 0 27.30 4.10 7 -10 0 6.20 6.50 -7 -10 0 0.00 3.30 7 -10 0 -1.20 3.80 -7 -10 0 -0.90 3.30 7 -10 0 0.30 2.60 -7 10 0 -3.70 3.60 7 10 0 -0.10 3.50 -7 10 0 4.70 3.70 7 10 0 -6.20 4.10 0 -11 0 2.60 2.60 0 -11 0 -0.40 2.30 0 11 0 -0.50 1.50 0 11 0 3.30 2.40 0 11 0 4.60 2.60 -1 -11 0 77.59 4.40 1 -11 0 78.89 4.50 -1 -11 0 83.59 4.70 1 -11 0 88.09 4.80 1 11 0 89.39 4.60 -1 11 0 78.79 3.00 -1 11 0 84.99 4.60 -1 11 0 92.29 4.70 1 11 0 79.79 4.60 1 11 0 82.89 4.10 -2 -11 0 83.89 4.80 2 -11 0 75.69 4.90 2 -11 0 80.79 4.90 -2 -11 0 73.99 4.40 -2 11 0 78.09 4.70 2 11 0 75.29 4.60 -2 11 0 72.49 4.80 2 11 0 77.99 4.90 2 11 0 76.19 4.50 -3 -11 0 -4.50 2.70 3 -11 0 -1.70 2.80 -3 -11 0 7.90 2.70 3 -11 0 -2.90 2.50 3 -11 0 -0.50 1.30 3 11 0 -1.30 2.80 -3 11 0 -1.80 2.70 3 11 0 -5.10 2.60 3 11 0 -4.60 2.50 -3 11 0 1.70 3.00 -4 -11 0 25.70 3.50 4 -11 0 22.40 4.20 4 -11 0 19.10 1.90 -4 -11 0 22.80 3.60 4 11 0 19.40 3.50 -4 11 0 15.10 3.60 -4 11 0 18.70 3.60 4 11 0 17.70 3.40 4 11 0 14.00 3.50 -5 -11 0 10.00 3.50 5 -11 0 13.20 2.10 5 -11 0 8.00 4.10 -5 11 0 8.80 3.40 5 11 0 11.10 3.20 5 11 0 13.20 3.40 -5 11 0 5.00 3.30 5 11 0 9.20 3.80 -6 -11 0 3.50 3.40 6 -11 0 4.50 2.20 -6 -11 0 -1.90 3.30 6 -11 0 7.20 4.40 6 -11 0 1.30 3.60 -6 11 0 4.90 3.50 6 11 0 -11.90 5.50 6 11 0 0.90 3.40 -6 11 0 2.30 3.40 6 11 0 -0.20 3.30 7 -11 0 3.40 4.40 -7 -11 0 5.00 3.90 7 -11 0 0.30 2.50 -7 11 0 2.00 3.60 7 11 0 -2.90 3.30 -7 11 0 -2.20 3.90 7 11 0 -1.10 3.60 0 -12 0 23.60 3.40 0 -12 0 27.60 3.20 0 12 0 23.80 2.20 0 12 0 27.00 3.40 0 12 0 24.40 3.10 -1 -12 0 -1.90 2.30 1 -12 0 0.40 2.50 1 -12 0 -2.00 2.60 -1 12 0 -1.60 2.70 1 12 0 -0.30 1.90 -1 12 0 -0.80 1.30 -1 12 0 2.40 2.70 1 12 0 7.90 2.80 1 12 0 2.40 2.70 -2 -12 0 3.30 2.70 -2 -12 0 4.10 2.80 2 -12 0 -1.80 2.80 2 -12 0 9.10 3.30 2 12 0 2.80 2.90 -2 12 0 1.80 2.70 2 12 0 5.70 2.40 -2 12 0 3.20 2.70 2 12 0 3.10 2.60 3 -12 0 51.69 4.60 -3 -12 0 54.39 4.40 -3 -12 0 45.50 4.50 3 12 0 52.89 4.70 3 12 0 48.30 4.70 -3 12 0 53.19 4.80 -3 12 0 56.49 4.70 3 12 0 45.20 4.80 4 -12 0 21.80 2.10 4 -12 0 19.10 3.70 -4 -12 0 27.50 3.90 -4 12 0 21.80 3.80 -4 12 0 20.70 4.00 4 12 0 29.00 3.80 4 12 0 21.00 3.50 4 12 0 18.70 3.70 5 -12 0 3.00 2.50 -5 -12 0 -0.20 3.30 -5 -12 0 -0.10 3.80 5 -12 0 2.30 3.60 5 -12 0 -2.50 3.20 -5 12 0 -1.60 3.30 5 12 0 0.10 3.10 5 12 0 3.10 3.30 5 12 0 -10.50 3.30 -5 12 0 0.50 3.10 6 -12 0 1.30 3.90 -6 -12 0 -2.70 3.20 -6 -12 0 5.60 3.20 6 -12 0 2.10 2.10 -6 12 0 4.80 4.20 6 12 0 3.60 3.40 -6 12 0 -1.30 3.70 6 12 0 5.80 3.60 0 -13 0 -4.00 2.50 0 -13 0 1.70 3.00 0 13 0 1.10 1.60 0 13 0 -1.30 2.80 0 13 0 3.50 2.80 -1 -13 0 13.70 2.90 1 -13 0 26.50 3.60 -1 13 0 15.30 3.10 1 13 0 21.70 3.50 -1 13 0 19.50 1.70 1 13 0 21.50 2.50 -1 13 0 12.50 3.10 1 13 0 30.40 3.70 2 -13 0 6.50 3.30 -2 -13 0 2.90 1.80 -2 -13 0 4.60 3.20 -2 13 0 2.50 3.00 2 13 0 3.20 3.00 2 13 0 3.30 2.90 2 13 0 3.50 2.40 -2 13 0 1.40 2.80 3 -13 0 24.40 3.80 -3 -13 0 35.20 4.10 3 -13 0 16.40 3.80 3 13 0 28.70 3.60 3 13 0 28.90 3.70 -3 13 0 23.90 3.80 3 13 0 29.70 3.60 -3 13 0 28.10 3.80 -4 -13 0 -2.90 3.00 4 -13 0 -0.20 3.30 -4 13 0 1.90 3.10 -4 13 0 0.30 3.40 4 13 0 -0.30 2.90 4 13 0 5.30 3.20 4 13 0 -5.80 3.00 -5 -13 0 4.10 3.20 -5 -13 0 0.40 3.50 5 -13 0 2.20 4.00 5 -13 0 2.60 1.30 -5 13 0 3.90 3.90 5 13 0 1.40 3.40 5 13 0 6.10 3.30 5 13 0 -4.30 3.30 -5 13 0 -0.60 3.70 6 -13 0 7.80 4.60 -6 -13 0 0.60 3.60 6 13 0 -3.30 3.80 -6 13 0 -0.50 3.60 6 13 0 2.40 3.70 -6 13 0 3.60 3.60 6 13 0 3.30 5.10 0 -14 0 11.30 3.40 0 14 0 9.20 3.20 0 14 0 4.50 2.80 1 -14 0 6.80 3.20 1 -14 0 1.80 2.80 1 14 0 4.30 2.10 -1 14 0 1.10 3.10 -1 14 0 4.30 1.40 -1 14 0 2.00 2.80 1 14 0 6.80 3.10 1 14 0 -1.30 2.90 2 -14 0 15.70 5.80 -2 -14 0 16.40 3.10 2 -14 0 24.20 3.90 -2 -14 0 18.60 3.50 -2 14 0 10.60 3.30 2 14 0 20.90 3.70 2 14 0 15.10 3.40 -2 14 0 29.50 4.60 2 14 0 17.80 2.80 -3 -14 0 1.90 2.90 3 -14 0 0.30 3.10 3 -14 0 5.10 3.50 -3 -14 0 1.00 3.20 -3 14 0 -0.80 3.30 3 14 0 2.90 2.90 3 14 0 2.50 3.00 3 14 0 3.60 2.90 -3 14 0 0.80 3.20 4 -14 0 -0.30 6.50 -4 -14 0 -0.50 3.20 -4 -14 0 7.90 3.30 4 -14 0 -4.50 3.40 4 14 0 -3.20 2.90 4 14 0 -3.90 3.00 -4 14 0 2.80 3.60 -4 14 0 -1.50 3.50 4 14 0 1.20 3.00 -5 -14 0 -2.90 3.40 5 -14 0 6.00 3.90 5 14 0 -6.90 3.80 -5 14 0 0.90 3.40 5 14 0 -12.90 5.90 -5 14 0 4.50 4.00 5 14 0 -3.60 3.30 0 -15 0 -3.40 2.90 0 -15 0 -6.30 3.10 0 15 0 1.10 2.90 0 15 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6.40 2.40 5 -5 -3 8.40 3.00 5 -5 -3 4.10 2.40 -5 -5 3 4.50 3.90 5 5 -3 5.00 2.40 5 5 -3 5.40 2.50 -5 5 3 6.50 2.70 -4 -5 3 -0.80 1.90 4 -5 -3 -1.70 2.30 -4 -5 3 1.40 2.00 4 -5 -3 0.00 1.90 4 -5 -3 -0.50 2.30 -4 5 3 2.10 2.20 4 5 -3 -0.40 1.90 4 5 -3 -2.70 1.90 -4 5 3 -2.60 2.10 -3 -5 3 145.59 4.40 3 -5 -3 137.49 5.10 3 -5 -3 141.29 4.70 -3 -5 3 143.29 4.30 3 -5 -3 131.39 5.00 3 5 -3 142.49 4.30 -3 5 3 137.29 5.00 -3 5 3 145.89 5.00 3 5 -3 146.79 4.40 -2 -5 3 40.90 2.40 2 -5 -3 44.00 3.40 2 -5 -3 41.00 2.70 -2 -5 3 38.20 2.40 2 -5 -3 37.40 3.10 2 5 -3 40.30 2.40 -2 5 3 47.20 3.20 -2 5 3 32.70 3.10 2 5 -3 36.90 2.50 1 -5 -3 11.40 2.10 1 -5 -3 9.60 2.10 1 -5 -3 9.00 1.60 -1 -5 3 11.20 1.40 -1 5 3 10.60 1.50 1 5 -3 10.90 1.50 1 5 -3 13.10 1.30 -1 5 3 11.50 2.00 -1 5 3 10.60 2.10 0 -5 -3 897.71 18.20 0 -5 3 906.41 17.70 0 -5 -3 900.51 18.10 0 -5 3 883.21 17.70 0 -5 -3 890.41 18.20 0 5 -3 900.41 17.70 0 5 3 893.21 18.20 0 5 3 896.11 18.20 0 5 -3 889.41 17.70 0 5 3 907.31 18.10 1 -5 3 1804.92 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1.40 3.50 7 -5 3 -0.30 3.70 7 5 3 -0.10 3.40 7 5 3 2.40 3.50 -7 5 -3 -5.20 3.20 -7 5 -3 3.60 3.50 8 -5 3 -1.20 4.10 -8 -5 -3 0.50 3.20 -8 -5 -3 4.70 4.30 8 -5 3 7.40 4.30 8 5 3 -0.50 3.80 -8 5 -3 2.90 3.90 -8 5 -3 0.80 3.80 8 5 3 2.20 3.90 8 5 3 -1.00 4.10 -9 -5 -3 9.80 4.60 9 -5 3 0.70 5.20 9 5 3 -4.90 3.80 -9 5 -3 1.10 4.40 9 5 3 0.90 4.40 -9 5 -3 -0.10 3.90 -8 -6 3 -1.00 3.60 8 -6 -3 1.20 3.50 8 -6 -3 1.20 6.20 -8 -6 3 1.20 3.50 8 -6 -3 0.00 3.80 -8 6 3 0.60 3.60 8 6 -3 -0.70 3.30 -8 6 3 7.30 3.70 7 -6 -3 -0.30 3.50 -7 -6 3 -4.10 3.20 7 -6 -3 5.40 3.30 7 -6 -3 1.00 3.60 7 6 -3 2.10 3.20 7 6 -3 6.70 3.50 -7 6 3 6.80 3.40 -7 6 3 -4.10 3.10 6 -6 -3 1.30 3.20 -6 -6 3 0.70 2.70 6 -6 -3 0.30 2.70 6 -6 -3 -1.30 3.20 -6 -6 3 1.50 2.90 -6 6 3 -0.50 3.30 6 6 -3 -0.20 2.70 6 6 -3 -1.00 2.70 -6 6 3 2.60 3.20 -5 -6 3 64.69 4.20 5 -6 -3 64.49 5.00 -5 -6 3 62.19 4.00 5 -6 -3 57.89 4.30 5 -6 -3 57.59 4.70 5 6 -3 55.59 4.10 -5 6 3 58.49 4.80 5 6 -3 60.29 4.00 -5 6 3 59.89 4.70 4 -6 -3 42.90 3.60 -4 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-3.20 3.10 -8 -6 -3 1.00 3.90 8 -6 3 1.00 3.90 8 -6 3 -0.80 4.00 8 6 3 -6.90 4.10 8 6 3 -1.40 3.80 -8 6 -3 2.80 3.90 8 6 3 4.30 3.70 -8 6 -3 3.10 3.60 -8 -7 3 8.00 3.80 -8 -7 3 4.70 3.60 8 -7 -3 7.50 3.40 8 -7 -3 6.80 4.00 8 -7 -3 15.50 4.50 8 7 -3 16.70 4.90 -8 7 3 1.70 3.40 8 7 -3 2.30 3.20 -8 7 3 4.30 3.70 7 -7 -3 9.60 4.00 7 -7 -3 11.70 3.20 7 -7 -3 19.80 4.70 -7 -7 3 10.40 3.50 7 7 -3 15.90 3.60 -7 7 3 7.20 3.60 -7 7 3 12.90 3.90 7 7 -3 10.30 3.30 6 -7 -3 5.20 3.50 6 -7 -3 6.90 2.90 6 -7 -3 2.40 3.40 -6 -7 3 10.90 3.00 -6 -7 3 3.80 2.80 6 7 -3 6.30 2.90 6 7 -3 2.00 2.70 -6 7 3 3.70 3.30 -6 7 3 5.30 3.30 5 -7 -3 24.00 3.70 -5 -7 3 26.60 3.00 5 -7 -3 15.10 3.30 5 -7 -3 24.50 3.00 -5 -7 3 20.90 2.90 5 7 -3 25.60 3.10 -5 7 3 31.30 3.90 5 7 -3 26.40 2.90 -5 7 3 22.90 3.40 4 -7 -3 184.78 5.80 4 -7 -3 185.98 6.60 4 -7 -3 158.78 8.90 -4 -7 3 192.28 5.80 -4 -7 3 193.58 5.70 -4 7 3 180.18 6.50 4 7 -3 183.28 5.80 -4 7 3 191.48 6.50 4 7 -3 183.78 5.70 3 -7 -3 12.40 2.50 -3 -7 3 14.20 2.10 3 -7 -3 14.00 2.10 -3 -7 3 14.20 2.20 3 -7 -3 11.40 2.70 -3 7 3 15.20 2.60 -3 7 3 13.70 2.70 3 7 -3 14.10 2.10 3 7 -3 11.30 2.10 2 -7 -3 46.70 3.90 2 -7 -3 50.29 3.70 -2 -7 3 43.70 2.80 -2 -7 3 46.20 2.90 2 -7 -3 49.50 3.70 2 7 -3 41.30 2.80 -2 7 3 40.20 2.80 2 7 -3 41.70 2.90 -2 7 3 49.60 3.50 -2 7 3 39.40 3.50 1 -7 -3 2049.29 39.50 1 -7 -3 2052.39 39.90 1 -7 -3 1981.60 39.90 -1 -7 3 1988.60 39.20 -1 7 3 2051.89 39.90 -1 7 3 2008.00 39.90 1 7 -3 1985.10 39.20 -1 7 3 2049.49 39.50 1 7 -3 2037.90 39.30 0 -7 3 4.90 1.60 0 -7 3 2.70 1.60 0 -7 -3 9.20 2.00 0 -7 -3 4.00 2.20 0 -7 -3 3.00 1.90 0 7 -3 3.10 1.60 0 7 3 4.30 1.70 0 7 3 8.10 2.10 0 7 3 1.90 1.90 0 7 -3 3.40 1.00 0 7 -3 2.00 1.60 -1 -7 -3 161.28 5.40 1 -7 3 160.18 4.80 -1 -7 -3 189.38 5.50 -1 -7 -3 167.18 5.30 1 -7 3 173.68 4.80 1 7 3 167.98 5.30 1 7 3 164.38 5.30 -1 7 -3 162.68 4.80 1 7 3 168.78 5.30 -2 -7 -3 94.99 4.30 2 -7 3 91.49 3.90 2 -7 3 92.09 4.00 -2 -7 -3 87.79 4.10 2 7 3 89.49 4.20 -2 7 -3 91.59 4.00 2 7 3 103.29 4.50 2 7 3 94.59 4.20 -2 7 -3 91.19 3.90 3 -7 3 58.79 3.80 -3 -7 -3 61.49 3.80 3 -7 3 60.49 3.90 -3 -7 -3 68.59 4.10 3 -7 3 59.69 2.20 3 7 3 63.59 4.00 -3 7 -3 58.39 3.80 -3 7 -3 62.19 3.70 3 7 3 66.39 3.90 3 7 3 67.09 4.50 -4 -7 -3 1.40 2.30 4 -7 3 -1.10 2.50 4 -7 3 7.70 2.50 -4 -7 -3 5.50 2.70 4 7 3 0.20 3.70 -4 7 -3 3.00 2.50 4 7 3 5.10 2.50 -4 7 -3 3.70 2.40 5 -7 3 34.50 3.80 -5 -7 -3 37.60 3.60 5 -7 3 37.70 3.70 -5 -7 -3 47.60 4.70 -5 7 -3 42.90 4.00 -5 7 -3 26.50 6.00 5 7 3 34.90 5.20 5 7 3 39.90 3.90 5 7 3 33.40 4.00 6 -7 3 0.20 3.80 6 -7 3 2.00 2.70 -6 -7 -3 3.40 3.60 6 7 3 7.50 3.50 6 7 3 11.20 3.70 6 7 3 1.90 3.60 -6 7 -3 2.60 3.00 -6 7 -3 6.40 3.40 7 -7 3 4.40 3.70 7 -7 3 -5.60 3.50 -7 -7 -3 1.70 3.60 7 7 3 -1.20 4.70 7 7 3 5.00 3.70 -7 7 -3 -3.20 3.30 -7 7 -3 6.30 3.50 7 7 3 4.40 3.40 -8 -7 -3 3.10 3.80 8 -7 3 -3.00 4.20 -8 -7 -3 1.80 5.20 8 -7 3 3.00 4.10 8 7 3 8.70 4.80 8 7 3 -6.00 6.50 -8 7 -3 1.80 6.70 -8 7 -3 5.00 3.70 8 7 3 5.50 4.10 -8 -8 3 -0.90 3.70 8 -8 -3 7.20 4.20 8 -8 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4.50 1.50 2 8 -3 5.60 1.90 2 8 -3 5.90 1.80 -2 8 3 4.50 2.30 -2 8 3 2.80 2.40 -1 -8 3 32.50 2.70 1 -8 -3 36.50 3.50 -1 -8 3 36.40 2.70 1 -8 -3 38.70 3.40 1 -8 -3 32.00 3.40 1 8 -3 35.40 2.80 -1 8 3 38.30 3.40 1 8 -3 36.20 2.70 -1 8 3 36.70 3.50 -1 8 3 32.70 2.70 1 8 -3 28.50 2.70 0 -8 3 115.49 3.90 0 -8 -3 112.39 4.40 0 -8 -3 111.79 4.50 0 -8 3 109.39 3.90 0 -8 -3 117.19 4.30 0 8 3 119.79 4.10 0 8 -3 110.89 3.90 0 8 -3 111.49 3.10 0 8 -3 117.59 4.00 0 8 3 111.79 4.50 0 8 3 111.39 4.50 1 -8 3 5.10 1.90 1 -8 3 13.60 2.10 -1 -8 -3 9.20 2.20 -1 -8 -3 11.40 2.50 -1 8 -3 8.80 1.90 1 8 3 11.70 2.10 -1 8 -3 15.30 2.20 1 8 3 10.30 2.40 1 8 3 16.60 2.50 -2 -8 -3 83.79 4.30 -2 -8 -3 77.19 4.00 2 -8 3 78.09 3.90 2 -8 3 78.39 3.80 2 8 3 81.69 4.30 -2 8 -3 83.59 3.90 -2 8 -3 85.49 4.00 2 8 3 76.79 4.10 2 8 3 72.59 4.20 -3 -8 -3 16.70 2.90 3 -8 3 25.60 2.90 -3 -8 -3 14.00 4.10 3 -8 3 18.20 4.30 3 -8 3 18.70 1.20 -3 8 -3 23.90 2.90 3 8 3 21.00 3.10 3 8 3 27.30 3.20 3 8 3 29.80 3.10 -3 8 -3 23.90 3.00 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3.60 7 11 -3 12.30 3.50 7 11 -3 -4.00 5.60 7 11 -3 -3.20 4.20 6 -11 -3 26.70 4.90 6 -11 -3 16.30 4.20 -6 -11 3 11.60 3.50 -6 -11 3 14.30 3.40 6 -11 -3 19.90 3.00 -6 11 3 13.50 3.80 6 11 -3 21.90 3.50 6 11 -3 16.80 3.40 -6 11 3 13.90 3.80 5 -11 -3 0.90 4.00 5 -11 -3 -1.00 3.90 5 -11 -3 5.20 2.50 -5 -11 3 3.80 2.80 5 11 -3 7.50 3.00 5 11 -3 8.00 3.00 -5 11 3 5.40 3.40 5 11 -3 -2.40 3.20 -5 11 3 5.00 3.40 4 -11 -3 70.99 4.10 -4 -11 3 77.59 4.70 4 -11 -3 83.99 6.40 -4 -11 3 79.99 4.80 -4 11 3 63.09 5.40 4 11 -3 77.79 4.70 4 11 -3 72.99 4.70 4 11 -3 66.49 5.60 -4 11 3 69.89 5.50 3 -11 -3 -0.10 2.80 3 -11 -3 4.10 3.10 -3 -11 3 7.30 2.70 3 -11 -3 2.30 2.00 -3 -11 3 5.70 2.50 -3 11 3 6.30 2.80 3 11 -3 -0.30 2.60 3 11 -3 2.50 3.00 -3 11 3 6.40 3.00 3 11 -3 2.50 2.30 -2 -11 3 418.76 10.10 2 -11 -3 417.46 9.70 2 -11 -3 419.46 11.00 -2 -11 3 413.36 10.00 2 -11 -3 367.86 10.50 2 11 -3 420.16 10.10 2 11 -3 421.86 10.00 -2 11 3 399.86 9.50 2 11 -3 414.56 10.20 -2 11 3 438.36 11.00 -2 11 3 410.16 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3.10 -4 11 -3 4.50 3.10 5 -11 3 5.50 1.00 5 -11 3 8.90 3.80 -5 -11 -3 7.30 3.70 -5 -11 -3 4.20 3.20 5 11 3 11.40 3.40 -5 11 -3 7.30 3.20 5 11 3 7.80 3.70 5 11 3 3.10 4.50 -5 11 -3 12.60 3.70 -6 -11 -3 7.00 3.30 6 -11 3 5.50 2.00 6 -11 3 2.20 3.50 6 -11 3 3.10 3.90 -6 -11 -3 4.50 3.80 6 11 3 6.00 3.50 -6 11 -3 4.90 3.60 6 11 3 8.10 3.90 6 11 3 -5.50 3.70 -6 11 -3 -3.80 3.10 7 -11 3 2.40 4.20 7 -11 3 -1.90 2.20 -7 -11 -3 6.10 4.20 7 11 3 -0.50 3.80 7 11 3 -2.50 3.70 -7 11 -3 -0.30 3.80 -7 11 -3 -2.10 3.30 -6 -12 3 5.40 3.20 6 -12 -3 -0.10 2.50 6 -12 -3 2.10 4.10 -6 -12 3 1.90 3.00 -6 12 3 5.10 4.50 -6 12 3 1.00 7.60 6 12 -3 1.00 3.10 6 12 -3 -8.90 3.60 6 12 -3 4.30 3.20 5 -12 -3 2.90 3.60 -5 -12 3 -0.70 2.70 5 -12 -3 -0.60 2.20 -5 -12 3 -0.70 2.90 5 -12 -3 1.60 3.60 -5 12 3 1.30 3.60 5 12 -3 0.00 2.90 5 12 -3 -0.90 2.80 5 12 -3 -6.70 3.20 -5 12 3 -0.40 3.40 4 -12 -3 9.30 3.60 4 -12 -3 10.10 2.20 -4 -12 3 10.70 3.00 4 12 -3 1.40 3.00 -4 12 3 10.90 3.50 4 12 -3 13.20 2.90 4 12 -3 13.10 3.00 -4 12 3 9.30 3.30 -3 -12 3 3.40 3.10 -3 -12 3 7.60 2.70 3 -12 -3 3.10 2.00 3 -12 -3 -0.30 3.10 3 12 -3 -0.60 2.60 3 12 -3 5.50 2.60 -3 12 3 3.00 2.90 3 12 -3 5.50 2.60 -3 12 3 6.00 3.20 -2 -12 3 193.98 8.20 -2 -12 3 208.38 6.60 2 -12 -3 216.58 7.80 2 -12 -3 221.48 6.30 -2 12 3 202.18 5.90 2 12 -3 213.98 6.80 2 12 -3 220.58 6.60 2 12 -3 207.18 6.80 -2 12 3 205.18 7.40 1 -12 -3 141.59 5.50 -1 -12 3 155.68 5.60 1 -12 -3 150.08 6.40 1 12 -3 145.09 5.60 -1 12 3 143.49 5.00 -1 12 3 143.29 6.20 1 12 -3 151.38 4.90 -1 12 3 158.38 6.40 1 12 -3 139.49 7.90 0 -12 -3 29.00 3.70 0 -12 3 30.60 3.30 0 -12 3 30.60 3.00 0 -12 -3 28.00 3.40 0 12 3 21.50 2.60 0 12 3 29.90 3.60 0 12 -3 27.70 2.70 0 12 3 30.40 3.50 0 12 -3 26.70 3.10 1 -12 3 22.90 3.10 1 -12 3 21.10 3.00 -1 -12 -3 16.30 3.30 1 12 3 14.70 3.20 -1 12 -3 14.00 2.80 1 12 3 11.90 2.50 1 12 3 11.60 3.20 -1 12 -3 13.80 2.90 -2 -12 -3 -2.10 2.90 2 -12 3 5.00 2.80 -2 -12 -3 3.80 3.10 2 12 3 -2.10 2.70 2 12 3 2.50 2.60 -2 12 -3 6.00 2.90 -2 12 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6 -5 56.29 3.40 3 6 5 53.59 3.90 3 6 5 55.99 4.30 -3 6 -5 58.99 3.70 4 -6 5 9.30 1.80 -4 -6 -5 1.50 2.90 4 -6 5 5.90 2.60 4 6 5 4.10 2.60 4 6 5 3.10 2.80 -4 6 -5 2.60 2.40 4 6 5 5.60 3.50 -4 6 -5 5.30 2.40 5 -6 5 -0.20 2.70 -5 -6 -5 6.90 3.00 5 -6 5 -3.00 3.30 -5 -6 -5 -0.20 2.80 5 6 5 1.40 2.90 5 6 5 6.20 3.30 5 6 5 6.80 3.10 -5 6 -5 2.20 2.80 -5 6 -5 6.40 2.90 6 -6 5 0.40 3.50 -6 -6 -5 -2.10 2.50 -6 -6 -5 -1.50 3.50 6 -6 5 0.50 2.20 -6 6 -5 -2.20 3.10 6 6 5 1.00 3.40 -6 6 -5 1.80 3.00 6 6 5 -3.90 3.30 6 6 5 -5.20 2.50 -7 -6 -5 0.90 4.00 7 -6 5 -0.60 3.40 -7 -6 -5 0.20 3.50 7 -6 5 -1.90 4.00 -7 6 -5 2.20 3.70 -7 6 -5 -4.20 3.00 7 6 5 -3.70 3.60 7 6 5 -1.60 3.90 -8 -6 -5 2.10 3.50 8 -6 5 2.40 4.30 8 -6 5 2.80 4.10 8 -6 5 -2.30 3.80 -8 -6 -5 3.30 3.90 8 6 5 -1.30 4.00 -8 6 -5 1.20 3.50 -8 6 -5 1.30 3.50 8 6 5 -2.50 4.10 8 6 5 1.70 3.90 8 -7 -5 2.30 3.50 8 -7 -5 7.50 4.40 -8 -7 5 9.60 3.80 8 -7 -5 17.20 4.30 -8 -7 5 9.80 3.60 -8 7 5 10.50 3.90 8 7 -5 6.00 3.40 8 7 -5 6.90 3.60 -8 7 5 11.30 4.40 7 -7 -5 -0.20 3.10 -7 -7 5 7.40 3.30 7 -7 -5 -2.60 3.70 7 -7 -5 -2.00 3.50 -7 7 5 -0.20 3.30 7 7 -5 5.70 3.10 7 7 -5 6.30 3.30 -7 7 5 4.90 3.50 6 -7 -5 -5.90 3.30 -6 -7 5 -3.30 2.70 6 -7 -5 -1.00 3.30 6 -7 -5 2.20 2.80 -6 -7 5 1.10 2.70 6 7 -5 -2.70 2.60 6 7 -5 1.90 2.70 -6 7 5 2.40 3.30 -6 7 5 0.40 3.10 5 -7 -5 0.60 2.50 5 -7 -5 1.20 3.00 -5 -7 5 0.60 2.40 -5 -7 5 1.40 2.30 5 -7 -5 0.20 3.40 5 7 -5 3.90 2.40 -5 7 5 0.30 2.90 -5 7 5 -1.00 3.00 5 7 -5 4.90 2.30 -4 -7 5 32.50 2.70 -4 -7 5 35.50 3.20 4 -7 -5 32.50 3.00 4 -7 -5 31.40 3.50 4 -7 -5 23.40 4.60 4 7 -5 35.50 3.10 -4 7 5 33.20 3.40 -3 -7 5 20.20 2.10 3 -7 -5 23.30 3.00 3 -7 -5 20.50 2.40 -3 -7 5 23.60 2.10 3 -7 -5 23.70 3.10 -3 7 5 22.80 2.90 3 7 -5 23.40 2.00 -3 7 5 25.10 2.90 3 7 -5 28.40 2.30 -2 -7 5 2.60 1.40 2 -7 -5 0.70 2.10 2 -7 -5 3.60 1.90 2 -7 -5 0.40 2.30 -2 -7 5 5.20 1.50 -2 7 5 1.80 2.10 2 7 -5 0.70 1.30 2 7 -5 4.60 1.50 -2 7 5 2.50 2.20 -2 7 5 1.70 1.60 1 -7 -5 0.10 2.00 -1 -7 5 0.10 1.20 1 -7 -5 1.20 1.80 1 -7 -5 2.00 2.20 -1 7 5 0.70 2.00 -1 7 5 -1.20 2.10 -1 7 5 1.00 1.60 1 7 -5 1.40 1.40 1 7 -5 -0.50 1.20 0 -7 5 -1.50 1.30 0 -7 -5 3.60 2.00 0 -7 -5 -3.20 2.30 0 -7 -5 4.60 2.10 0 -7 5 1.20 1.30 0 7 5 1.20 2.00 0 7 -5 -1.10 1.30 0 7 -5 0.60 1.30 0 7 5 0.60 2.10 0 7 5 -1.10 1.60 -1 -7 -5 123.79 4.70 1 -7 5 130.19 4.10 1 -7 5 126.29 4.00 -1 -7 -5 139.39 5.20 -1 -7 -5 131.89 5.00 1 7 5 119.49 4.70 1 7 5 122.49 4.80 -1 7 -5 126.09 3.90 -1 7 -5 125.69 4.00 1 7 5 128.09 4.80 2 -7 5 30.40 2.90 -2 -7 -5 32.60 2.90 2 -7 5 33.30 3.00 -2 -7 -5 40.20 3.30 2 7 5 35.50 3.10 -2 7 -5 36.20 2.70 2 7 5 42.00 3.70 -2 7 -5 38.10 2.90 2 7 5 36.20 3.50 -3 -7 -5 62.69 4.00 3 -7 5 68.39 3.90 3 -7 5 63.29 1.90 -3 -7 -5 65.29 4.30 3 -7 5 61.89 1.90 3 -7 5 58.49 3.80 3 7 5 68.29 4.30 -3 7 -5 59.79 3.80 -3 7 -5 62.59 3.70 3 7 5 68.29 4.10 3 7 5 66.59 4.50 4 -7 5 2.90 2.40 -4 -7 -5 0.30 2.80 4 -7 5 0.60 1.40 4 -7 5 0.10 2.40 -4 -7 -5 -1.80 2.30 4 7 5 1.30 2.70 4 7 5 0.30 2.70 -4 7 -5 0.10 2.40 -4 7 -5 1.10 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2.90 6 8 -5 6.70 2.80 6 8 -5 6.40 2.90 -6 8 5 5.40 3.30 -6 8 5 3.10 3.20 -5 -8 5 0.90 2.30 5 -8 -5 1.50 3.10 5 -8 -5 -2.90 3.30 -5 -8 5 2.60 2.40 5 -8 -5 2.40 2.60 5 8 -5 -0.20 2.40 -5 8 5 3.80 3.00 -5 8 5 -0.20 3.10 -4 -8 5 88.19 4.10 4 -8 -5 89.39 4.80 4 -8 -5 98.69 5.50 4 -8 -5 94.99 5.40 -4 -8 5 97.59 4.90 4 8 -5 95.19 4.10 4 8 -5 93.69 4.20 -4 8 5 93.69 5.20 -4 8 5 86.79 5.20 3 -8 -5 28.70 5.40 -3 -8 5 23.70 2.30 3 -8 -5 18.20 2.50 -3 -8 5 25.20 2.30 -3 8 5 23.40 3.00 3 8 -5 25.20 2.20 3 8 -5 24.30 2.30 -3 8 5 26.20 3.20 2 -8 -5 1.90 2.40 2 -8 -5 -0.60 1.90 -2 -8 5 2.40 1.60 -2 -8 5 1.60 1.60 2 -8 -5 1.60 2.20 -2 8 5 -1.10 2.20 -2 8 5 -0.10 2.20 2 8 -5 1.80 1.40 -2 8 5 -1.50 1.70 2 8 -5 2.50 1.60 1 -8 -5 118.89 5.00 -1 -8 5 112.29 3.60 1 -8 -5 111.49 4.50 1 -8 -5 123.59 4.80 -1 8 5 115.59 4.80 1 8 -5 116.29 3.70 -1 8 5 114.79 4.40 -1 8 5 118.09 4.80 1 8 -5 113.79 3.60 0 -8 -5 129.79 5.10 0 -8 5 132.19 4.00 0 -8 -5 136.99 5.00 0 -8 -5 138.89 4.80 0 -8 5 129.49 3.90 0 8 -5 127.79 4.00 0 8 -5 126.79 3.30 0 8 5 135.89 4.90 0 8 5 130.99 5.00 0 8 -5 126.89 4.00 0 8 5 130.79 4.80 -1 -8 -5 139.69 5.30 1 -8 5 144.59 4.40 -1 -8 -5 135.89 5.10 -1 -8 -5 134.19 5.30 1 -8 5 140.99 4.40 -1 8 -5 141.69 4.40 1 8 5 133.89 5.00 -1 8 -5 139.39 4.30 1 8 5 138.89 5.10 1 8 5 147.39 5.20 2 -8 5 5.80 2.10 -2 -8 -5 4.70 2.60 -2 -8 -5 1.40 2.20 2 -8 5 11.20 2.20 2 8 5 4.30 2.40 -2 8 -5 6.10 2.00 2 8 5 6.70 2.40 2 8 5 4.80 2.40 -2 8 -5 4.40 2.00 -3 -8 -5 -0.50 2.20 3 -8 5 3.50 2.60 -3 -8 -5 6.10 2.70 3 -8 5 4.90 2.40 3 8 5 3.30 2.60 3 8 5 3.80 2.50 -3 8 -5 3.20 2.20 3 8 5 1.90 2.50 -3 8 -5 2.90 2.20 -4 -8 -5 0.90 3.00 -4 -8 -5 4.50 3.00 4 -8 5 5.70 2.90 4 -8 5 0.10 2.70 4 -8 5 2.20 1.20 -4 8 -5 2.50 2.50 -4 8 -5 -2.80 2.50 4 8 5 2.00 3.00 4 8 5 -0.70 3.00 4 8 5 5.50 3.10 -5 -8 -5 1.20 3.50 5 -8 5 -3.80 3.10 5 -8 5 -2.90 2.00 5 -8 5 -0.40 1.80 5 8 5 2.50 3.20 5 8 5 -2.40 3.20 -5 8 -5 -0.10 2.90 -5 8 -5 6.60 2.90 6 -8 5 3.30 3.40 -6 -8 -5 9.80 3.60 -6 8 -5 3.70 3.10 6 8 5 4.10 3.60 -6 8 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30.30 2.90 -3 -9 5 32.00 3.10 3 -9 -5 33.30 3.60 3 9 -5 31.90 2.60 3 9 -5 31.00 2.50 -3 9 5 39.00 3.80 -3 9 5 37.10 4.70 -2 -9 5 99.39 3.70 2 -9 -5 104.79 4.40 2 -9 -5 89.89 5.00 2 -9 -5 101.69 4.80 -2 -9 5 106.09 3.80 -2 9 5 94.99 4.70 -2 9 5 100.59 4.20 2 9 -5 95.29 3.60 -2 9 5 96.69 4.90 2 9 -5 101.09 3.80 1 -9 -5 119.69 4.70 1 -9 -5 126.99 5.30 -1 -9 5 125.49 4.10 -1 9 5 121.89 5.10 -1 9 5 126.99 5.30 -1 9 5 127.09 4.60 1 9 -5 127.69 4.10 1 9 -5 123.19 4.00 0 -9 -5 127.09 5.30 0 -9 5 119.19 4.00 0 -9 5 126.59 4.10 0 -9 -5 127.09 5.00 0 -9 -5 128.39 5.40 0 9 5 134.99 5.10 0 9 5 119.69 5.00 0 9 -5 117.19 3.20 0 9 -5 122.19 4.10 0 9 5 128.39 4.70 0 9 -5 118.09 4.10 -1 -9 -5 33.70 5.20 -1 -9 -5 30.70 3.30 1 -9 5 33.30 2.60 1 -9 5 36.70 2.70 -1 -9 -5 33.50 3.10 1 9 5 29.70 2.70 -1 9 -5 31.40 2.50 1 9 5 31.50 3.20 1 9 5 35.50 3.10 2 -9 5 37.20 3.20 2 -9 5 31.20 2.90 -2 -9 -5 33.30 3.10 -2 -9 -5 29.30 3.30 2 9 5 33.10 3.20 2 9 5 27.50 3.00 -2 9 -5 40.30 3.20 2 9 5 38.10 3.40 -2 9 -5 35.60 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12 -6 66.89 4.30 -2 12 6 78.39 5.50 -1 -12 6 2.40 2.10 1 -12 -6 8.20 2.90 1 -12 -6 7.10 3.30 -1 12 6 4.60 2.30 -1 12 6 3.50 3.00 1 12 -6 3.80 2.10 -1 12 6 7.50 3.20 1 12 -6 1.50 1.60 1 12 -6 5.00 2.30 0 -12 6 -1.40 2.10 0 -12 -6 5.20 2.90 0 -12 6 1.30 2.20 0 -12 -6 0.80 3.20 0 12 -6 0.00 2.10 0 12 6 3.50 2.90 0 12 6 -1.20 3.00 0 12 6 -1.40 2.20 0 12 -6 -1.20 2.30 1 -12 6 26.20 3.00 1 -12 6 30.40 3.10 -1 12 -6 22.50 2.90 -1 12 -6 27.10 3.60 1 12 6 30.60 4.10 1 12 6 33.80 4.00 2 -12 6 11.00 2.80 2 -12 6 10.70 2.80 -2 -12 -6 5.40 3.50 2 12 6 6.90 2.90 2 12 6 12.00 3.40 -2 12 -6 14.50 2.80 2 12 6 14.10 3.40 -2 12 -6 12.60 2.90 3 -12 6 3.60 2.80 3 -12 6 -1.80 2.00 -3 -12 -6 11.00 3.70 3 12 6 3.40 3.00 3 12 6 8.20 3.20 -3 12 -6 3.90 2.70 3 12 6 1.30 3.30 -3 12 -6 5.70 2.90 4 -12 6 6.90 3.40 -4 -12 -6 7.50 4.50 4 -12 6 8.10 3.40 -4 12 -6 4.80 3.00 -4 12 -6 5.00 3.00 4 12 6 2.20 3.40 4 12 6 5.70 3.70 4 12 6 8.60 3.50 -5 -12 -6 1.40 4.00 -5 -12 -6 0.90 3.30 5 -12 6 -1.90 3.30 5 -12 6 0.70 3.50 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4.20 -6 -2 -8 38.90 6.20 6 -2 8 47.80 5.10 6 -2 8 36.00 4.00 6 2 8 40.30 4.20 6 2 8 34.10 4.20 -6 2 -8 40.70 4.00 -6 2 -8 30.50 3.80 6 2 8 40.10 4.40 -7 -2 -8 41.00 4.70 7 -2 8 40.30 4.80 -7 -2 -8 44.40 4.70 7 -2 8 47.10 5.40 7 -2 8 54.99 5.80 7 2 8 53.29 5.20 -7 2 -8 36.20 4.30 -7 2 -8 38.20 4.30 7 2 8 43.60 4.80 -8 -2 -8 7.50 4.60 8 -2 8 5.20 4.00 -8 -2 -8 10.40 4.00 8 -2 8 -4.20 3.10 8 -2 8 2.90 4.30 -8 2 -8 0.90 3.50 8 2 8 6.20 6.50 -8 2 -8 6.80 3.80 8 2 8 3.00 4.10 8 2 8 -0.60 4.00 9 -2 8 -6.70 3.90 9 -2 8 -5.40 4.30 -9 -2 -8 8.70 6.20 -9 2 -8 4.10 3.80 9 2 8 0.80 4.70 -9 2 -8 -0.60 4.00 9 -3 -8 13.30 7.60 -9 -3 8 -0.60 3.50 9 -3 -8 2.40 4.00 9 -3 -8 4.40 4.30 9 3 -8 -2.50 4.00 9 3 -8 3.70 3.90 -9 3 8 1.80 4.10 8 -3 -8 1.40 3.80 8 -3 -8 6.40 4.30 8 -3 -8 -5.50 3.30 -8 -3 8 1.10 3.20 -8 -3 8 0.80 3.20 8 3 -8 2.10 3.50 -8 3 8 -2.70 3.00 -8 3 8 0.20 3.50 8 3 -8 2.10 3.30 7 -3 -8 21.40 4.00 -7 -3 8 16.30 3.40 7 -3 -8 14.60 3.90 7 -3 -8 16.50 4.20 -7 -3 8 7.10 2.30 7 3 -8 13.90 3.30 -7 3 8 15.50 3.60 7 3 -8 13.80 3.20 -6 -3 8 -0.40 2.60 -6 -3 8 5.20 2.60 6 -3 -8 0.50 3.10 6 -3 -8 -0.70 2.80 6 3 -8 5.80 2.80 -6 3 8 8.30 2.90 -6 3 8 8.20 2.60 6 3 -8 3.60 2.50 5 -3 -8 56.39 4.40 -5 -3 8 49.10 3.60 -5 -3 8 45.60 3.60 5 -3 -8 47.80 4.30 5 -3 -8 48.60 4.60 -5 3 8 57.59 4.30 5 3 -8 46.80 3.60 5 3 -8 47.80 3.50 -5 3 8 47.30 3.90 -4 -3 8 10.30 1.90 4 -3 -8 11.80 2.50 4 -3 -8 16.70 2.80 4 -3 -8 6.20 2.40 -4 -3 8 10.70 2.00 -4 3 8 18.90 2.70 4 3 -8 9.70 1.90 -4 3 8 8.10 2.20 4 3 -8 11.40 1.90 -3 -3 8 129.89 3.80 3 -3 -8 138.89 4.70 3 -3 -8 131.39 4.70 3 -3 -8 132.09 5.10 -3 -3 8 131.49 3.90 -3 3 8 127.49 4.70 -3 3 8 132.59 4.60 3 3 -8 128.49 3.70 3 3 -8 128.79 3.70 2 -3 -8 63.09 3.40 -2 -3 8 66.59 2.10 2 -3 -8 61.59 3.40 2 -3 -8 64.59 4.10 2 3 -8 67.99 1.90 2 3 -8 62.19 2.00 -2 3 8 58.19 5.10 -2 3 8 63.89 3.90 2 3 -8 72.79 3.80 -2 3 8 59.49 3.30 1 -3 -8 113.49 4.60 1 -3 -8 121.79 4.10 1 -3 -8 115.29 4.10 -1 3 8 115.89 4.10 -1 3 8 115.59 4.00 1 3 -8 114.59 4.80 -1 3 8 117.59 4.30 0 -3 -8 540.65 11.70 0 -3 -8 548.55 11.70 0 -3 8 544.75 10.60 0 -3 8 550.84 11.50 0 -3 -8 545.15 12.10 0 3 8 537.15 11.70 0 3 -8 547.95 10.60 0 3 -8 528.95 10.60 0 3 -8 542.55 11.50 0 3 8 548.75 12.20 0 3 8 550.94 11.70 1 -3 8 239.88 5.50 1 -3 8 242.18 5.80 -1 -3 -8 234.08 6.70 -1 -3 -8 233.68 6.30 1 -3 8 234.68 5.50 -1 -3 -8 242.28 6.40 -1 3 -8 244.68 5.60 -1 3 -8 234.38 5.80 1 3 8 242.08 6.70 1 3 8 239.68 6.40 1 3 8 246.88 6.30 -1 3 -8 240.78 5.50 2 -3 8 65.79 3.20 -2 -3 -8 74.99 3.80 -2 -3 -8 68.89 4.00 2 -3 8 64.49 3.00 2 -3 8 58.89 3.20 -2 -3 -8 64.99 3.60 2 3 8 68.59 3.90 -2 3 -8 64.99 3.10 -2 3 -8 75.39 3.30 2 3 8 65.29 4.00 -2 3 -8 67.59 3.10 -3 -3 -8 78.29 4.80 -3 -3 -8 65.19 4.10 -3 -3 -8 72.89 4.20 3 -3 8 65.49 3.70 3 -3 8 69.69 3.70 3 -3 8 75.19 3.40 -3 3 -8 70.99 3.70 3 3 8 73.59 3.90 3 3 8 69.79 4.40 3 3 8 67.29 4.10 -3 3 -8 69.99 3.60 4 -3 8 178.48 5.80 -4 -3 -8 175.68 6.10 4 -3 8 173.58 5.90 -4 -3 -8 171.98 6.10 4 -3 8 168.78 5.50 4 3 8 178.18 6.20 4 3 8 168.98 6.10 4 3 8 163.18 6.10 -4 3 -8 166.38 5.80 -4 3 -8 170.58 5.70 -5 -3 -8 48.10 4.60 -5 -3 -8 51.49 4.60 5 -3 8 40.60 4.00 5 -3 8 38.70 4.00 5 -3 8 57.19 4.70 5 3 8 46.30 4.50 5 3 8 38.80 3.90 -5 3 -8 40.30 3.70 5 3 8 40.30 4.00 -5 3 -8 37.90 3.50 6 -3 8 -0.50 3.40 6 -3 8 6.30 2.90 6 -3 8 -2.80 2.90 -6 -3 -8 1.40 3.10 6 3 8 3.80 3.40 6 3 8 5.40 3.40 6 3 8 0.10 4.00 -6 3 -8 0.50 3.50 -6 3 -8 -0.40 3.00 -7 -3 -8 3.90 3.70 7 -3 8 -4.50 3.90 7 -3 8 -2.40 3.50 -7 -3 -8 1.30 3.60 7 -3 8 5.20 3.30 7 3 8 -0.40 3.70 -7 3 -8 -2.60 3.20 -7 3 -8 -1.10 3.20 7 3 8 -1.20 3.80 -8 -3 -8 -0.20 3.90 8 -3 8 -1.30 2.80 8 -3 8 7.40 4.30 8 -3 8 2.50 4.20 -8 -3 -8 -0.90 3.40 8 3 8 -1.30 4.10 -8 3 -8 2.70 3.60 8 3 8 2.10 3.90 8 3 8 4.30 7.00 -8 3 -8 -0.70 3.60 9 -3 8 -10.00 4.00 -9 -3 -8 14.10 6.60 9 -3 8 0.30 4.30 -9 3 -8 2.70 3.90 9 3 8 -1.40 4.20 -9 3 -8 -1.90 3.50 8 -4 -8 7.20 4.10 8 -4 -8 1.40 3.90 -8 -4 8 5.70 3.20 -8 -4 8 1.80 3.40 8 -4 -8 -0.80 3.60 -8 4 8 -1.70 3.50 8 4 -8 -0.20 3.30 -8 4 8 3.70 3.50 8 4 -8 -5.20 3.10 7 -4 -8 3.90 4.00 7 -4 -8 3.40 3.80 -7 -4 8 2.40 3.00 7 -4 -8 2.10 3.40 -7 -4 8 1.30 1.90 7 4 -8 1.00 3.00 -7 4 8 5.70 3.80 7 4 -8 2.50 3.10 -6 -4 8 34.40 3.60 -6 -4 8 26.70 3.20 6 -4 -8 28.10 3.80 6 4 -8 35.80 5.30 6 4 -8 24.70 3.10 -6 4 8 37.50 4.10 -5 -4 8 24.60 2.70 5 -4 -8 17.80 3.20 5 -4 -8 22.50 3.20 -5 -4 8 24.80 2.60 5 -4 -8 29.80 3.70 -5 4 8 31.40 3.40 5 4 -8 23.70 2.60 -5 4 8 26.40 3.10 -4 -4 8 15.00 2.00 -4 -4 8 17.50 2.00 4 -4 -8 23.80 3.10 4 -4 -8 15.00 2.90 4 -4 -8 17.60 2.80 4 4 -8 12.70 2.00 4 4 -8 19.00 2.00 -4 4 8 11.40 2.30 -4 4 8 15.80 2.70 3 -4 -8 369.56 9.60 3 -4 -8 367.46 9.20 3 -4 -8 367.86 9.10 -3 -4 8 372.86 8.00 -3 4 8 369.16 9.00 -3 4 8 379.76 9.10 3 4 -8 373.26 7.90 3 4 -8 370.76 7.90 2 -4 -8 177.18 5.50 -2 -4 8 180.88 4.00 -2 -4 8 179.58 3.90 2 -4 -8 188.48 5.60 2 -4 -8 191.88 6.00 -2 4 8 187.08 5.80 2 4 -8 179.38 3.90 -2 4 8 188.38 5.50 -2 4 8 194.08 5.60 1 -4 -8 1.10 2.00 1 -4 -8 3.50 2.10 1 -4 -8 3.40 1.90 -1 4 8 2.50 1.90 -1 4 8 4.00 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-5 8 17.30 3.00 -6 -5 8 19.50 3.00 6 -5 -8 19.50 3.80 6 -5 -8 15.80 6.00 6 -5 -8 18.70 3.60 6 5 -8 13.00 2.80 6 5 -8 19.20 4.30 -6 5 8 22.50 3.90 5 -5 -8 -1.20 3.00 5 -5 -8 3.10 2.90 -5 -5 8 0.50 3.50 5 -5 -8 -3.50 2.70 -5 -5 8 3.90 2.20 -5 5 8 -1.40 2.80 5 5 -8 -1.40 2.00 -5 5 8 3.10 2.70 5 5 -8 2.80 2.20 -4 -5 8 4.50 1.70 4 -5 -8 9.70 2.70 4 -5 -8 3.10 2.50 -4 -5 8 1.90 1.80 4 -5 -8 7.10 2.60 4 5 -8 5.00 1.80 4 5 -8 5.60 1.60 -4 5 8 8.70 2.60 -4 5 8 9.60 2.60 3 -5 -8 0.20 2.20 3 -5 -8 0.60 2.30 -3 -5 8 2.30 1.30 3 -5 -8 2.40 2.20 -3 5 8 0.70 2.10 -3 5 8 1.50 2.20 3 5 -8 2.20 1.20 3 5 -8 -0.90 1.90 -2 -5 8 127.79 3.00 2 -5 -8 136.99 4.80 2 -5 -8 130.59 4.90 2 -5 -8 136.19 5.20 -2 -5 8 132.89 3.00 2 5 -8 129.99 2.80 2 5 -8 128.99 2.80 -2 5 8 136.89 4.80 -2 5 8 133.19 4.90 -2 5 8 127.89 4.80 1 -5 -8 69.89 3.80 1 -5 -8 69.19 4.00 1 -5 -8 72.99 3.80 -1 5 8 71.09 3.90 -1 5 8 71.69 3.90 -1 5 8 70.69 3.70 0 -5 8 40.90 1.60 0 -5 -8 39.50 3.70 0 -5 -8 36.80 3.40 0 -5 8 37.20 1.40 0 -5 -8 43.00 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5.20 3.00 5 3 9 7.00 3.30 -5 3 -9 5.90 2.80 -5 3 -9 3.10 2.60 -6 -3 -9 1.10 3.30 6 -3 9 4.20 2.60 6 -3 9 -0.40 3.30 -6 -3 -9 0.10 3.10 6 -3 9 0.30 3.50 -6 3 -9 1.20 3.50 6 3 9 3.30 3.30 -6 3 -9 0.50 3.20 6 3 9 1.00 3.30 6 3 9 0.00 3.60 -7 -3 -9 10.90 4.00 7 -3 9 4.00 3.70 7 -3 9 -0.30 4.00 7 -3 9 3.10 3.30 -7 -3 -9 4.70 3.50 -7 3 -9 1.00 3.30 7 3 9 0.30 3.80 7 3 9 2.30 3.70 -7 3 -9 -2.20 3.10 -8 -3 -9 -2.10 3.60 8 -3 9 4.40 4.40 -8 -3 -9 0.90 4.30 8 -3 9 4.20 4.20 8 3 9 0.90 3.90 8 3 9 2.80 4.20 -8 3 -9 3.20 3.60 8 3 9 -1.20 4.40 -8 3 -9 6.60 3.50 8 -4 -9 5.00 3.70 -8 -4 9 -0.60 3.10 -8 -4 9 -3.30 3.00 8 -4 -9 3.10 4.10 8 -4 -9 7.00 4.20 -8 4 9 2.80 3.60 -8 4 9 -1.50 3.50 8 4 -9 1.00 3.30 8 4 -9 2.00 3.40 7 -4 -9 9.80 3.80 -7 -4 9 13.30 3.10 7 -4 -9 24.90 4.50 7 -4 -9 15.60 3.70 -7 4 9 18.80 3.80 7 4 -9 10.80 3.10 7 4 -9 13.40 3.20 6 -4 -9 10.80 6.00 -6 -4 9 12.90 3.00 6 -4 -9 15.50 3.70 -6 -4 9 7.50 2.70 6 -4 -9 9.80 3.40 -6 4 9 12.70 3.30 6 4 -9 8.40 2.70 5 -4 -9 1.60 2.80 -5 -4 9 1.10 2.00 5 -4 -9 4.40 3.00 -5 -4 9 8.20 2.70 5 -4 -9 7.10 3.00 -5 4 9 5.70 2.80 5 4 -9 3.50 2.10 -5 4 9 2.30 2.60 5 4 -9 1.80 2.10 -4 -4 9 130.59 4.10 4 -4 -9 128.69 5.30 4 -4 -9 136.59 5.80 4 -4 -9 135.89 5.40 -4 -4 9 130.89 4.20 -4 4 9 127.59 5.20 4 4 -9 134.29 4.10 4 4 -9 134.09 4.10 -4 4 9 142.49 6.60 -3 -4 9 53.59 2.40 3 -4 -9 56.29 3.70 3 -4 -9 55.19 3.80 3 -4 -9 56.09 3.90 3 4 -9 53.69 2.30 -3 4 9 51.29 3.40 -3 4 9 59.99 3.70 -2 -4 9 2.40 0.70 2 -4 -9 5.10 2.10 -2 -4 9 3.70 0.70 2 -4 -9 2.00 2.20 2 -4 -9 2.50 2.00 -2 4 9 3.90 2.00 2 4 -9 0.20 1.90 -2 4 9 1.40 2.10 -2 4 9 0.70 1.90 1 -4 -9 2.40 2.10 1 -4 -9 1.90 2.20 1 -4 -9 5.60 2.20 1 4 -9 1.40 1.60 -1 4 9 4.60 2.00 -1 4 9 3.50 1.90 -1 4 9 3.20 1.90 0 -4 9 2.40 0.70 0 -4 9 2.40 0.80 0 -4 9 1.80 1.50 0 -4 -9 -0.50 2.10 0 -4 -9 4.20 2.20 0 -4 -9 1.30 2.20 0 4 9 3.10 1.80 0 4 -9 -1.10 1.30 0 4 -9 2.00 0.60 0 4 9 0.40 2.00 0 4 -9 2.50 0.60 0 4 9 1.20 1.90 -1 -4 -9 29.60 2.90 -1 -4 -9 28.50 2.70 1 -4 9 28.20 2.10 -1 -4 -9 31.80 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7.00 4.30 8 7 -9 3.30 3.20 -8 7 9 4.00 3.80 8 7 -9 4.00 3.10 7 -7 -9 -0.70 3.50 -7 -7 9 4.30 3.00 7 -7 -9 1.10 3.80 7 -7 -9 -0.60 3.90 7 7 -9 5.60 2.80 -7 7 9 3.70 3.80 -7 7 9 3.90 3.90 7 7 -9 2.30 2.70 6 -7 -9 19.80 4.20 -6 -7 9 17.80 2.80 -6 -7 9 28.50 3.10 6 -7 -9 21.40 4.00 6 -7 -9 22.40 3.80 -6 7 9 23.70 4.00 6 7 -9 23.90 2.90 6 7 -9 27.00 3.10 -6 7 9 24.50 3.90 -5 -7 9 65.09 3.70 -5 -7 9 69.29 3.80 5 -7 -9 61.99 5.50 5 -7 -9 72.59 5.60 5 -7 -9 64.39 5.50 -5 7 9 60.69 5.20 5 7 -9 65.19 3.60 -5 7 9 73.59 5.50 5 7 -9 66.69 3.50 4 -7 -9 62.99 5.10 4 -7 -9 54.79 5.00 -4 -7 9 64.49 3.20 4 -7 -9 62.49 5.50 4 7 -9 65.19 3.00 -4 7 9 59.29 4.90 -4 7 9 61.39 4.90 3 -7 -9 45.40 4.50 3 -7 -9 53.79 4.60 -3 -7 9 51.39 2.30 -3 -7 9 49.50 2.20 3 -7 -9 54.09 4.20 3 7 -9 46.30 2.10 -3 7 9 56.49 4.30 -3 7 9 51.79 4.10 -3 7 9 50.59 4.30 3 7 -9 46.70 2.10 -2 -7 9 29.50 1.40 2 -7 -9 23.70 2.90 -2 -7 9 28.50 1.30 2 -7 -9 30.40 3.40 2 -7 -9 31.70 3.30 -2 7 9 32.60 3.20 -2 7 9 33.10 3.60 1 -7 -9 101.29 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4 9 9 95.99 6.00 4 9 9 96.39 5.80 -4 9 -9 90.29 5.20 -4 9 -9 99.39 5.10 4 9 9 95.39 6.50 -5 -9 -9 17.80 3.70 5 -9 9 15.80 2.40 5 -9 9 9.70 3.30 -5 -9 -9 15.20 4.50 5 9 9 17.90 4.20 5 9 9 27.60 4.10 -5 9 -9 11.90 3.30 -5 9 -9 14.30 3.40 5 9 9 13.80 3.70 6 -9 9 -2.20 3.60 6 -9 9 -0.40 1.80 -6 -9 -9 -1.20 4.00 -6 -9 -9 5.40 3.50 6 -9 9 9.40 3.80 6 9 9 3.10 3.90 6 9 9 -0.70 3.60 -6 9 -9 -1.70 3.10 -6 9 -9 4.70 3.30 6 9 9 2.00 3.70 7 -9 9 -0.10 2.30 7 -9 9 1.60 3.90 -7 -9 -9 -3.80 3.80 7 9 9 -3.90 4.50 7 9 9 4.50 4.40 -7 9 -9 6.60 3.60 -7 9 -9 3.60 3.30 -7 -10 9 5.00 3.00 7 -10 -9 4.00 3.60 -7 -10 9 1.50 2.70 7 -10 -9 14.90 4.90 7 10 -9 3.80 2.70 -7 10 9 6.70 5.60 7 10 -9 7.60 3.20 6 -10 -9 2.90 3.40 -6 -10 9 1.10 1.90 6 -10 -9 -1.60 3.60 -6 -10 9 6.50 2.50 6 -10 -9 -1.00 3.90 6 10 -9 3.00 2.30 -6 10 9 1.30 3.50 6 10 -9 3.10 2.30 -6 10 9 0.10 3.50 5 -10 -9 21.20 4.30 -5 -10 9 32.50 2.80 5 -10 -9 21.10 4.00 -5 -10 9 29.10 2.80 5 -10 -9 33.50 5.60 -5 10 9 31.60 4.40 -5 10 9 22.40 3.90 5 10 -9 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2.50 3.10 7 -6 -10 1.80 3.60 7 -6 -10 10.30 4.00 -7 -6 10 8.20 4.90 7 -6 -10 2.20 4.00 7 6 -10 9.50 2.90 -7 6 10 4.90 3.60 7 6 -10 5.70 2.90 -7 6 10 -2.10 3.10 -6 -6 10 51.69 4.10 6 -6 -10 59.19 5.80 6 -6 -10 43.80 4.60 -6 -6 10 50.29 4.00 6 -6 -10 45.70 4.70 6 6 -10 43.80 3.80 6 6 -10 50.49 3.80 -6 6 10 40.90 7.00 5 -6 -10 54.19 5.10 -5 -6 10 50.59 3.40 5 -6 -10 56.39 5.40 -5 -6 10 48.20 3.60 5 -6 -10 54.99 5.50 5 6 -10 52.29 3.40 -5 6 10 58.49 4.70 5 6 -10 51.69 3.20 4 -6 -10 3.60 2.90 4 -6 -10 4.60 2.80 -4 -6 10 4.70 1.80 4 -6 -10 5.60 2.90 -4 6 10 5.30 2.90 4 6 -10 4.70 1.80 4 6 -10 7.60 1.60 -4 6 10 2.90 2.80 3 -6 -10 -1.00 2.40 3 -6 -10 -2.10 2.50 3 -6 -10 -3.40 2.60 -3 -6 10 -1.20 1.00 -3 -6 10 0.60 1.00 -3 6 10 -2.10 2.40 3 6 -10 0.50 0.90 -3 6 10 0.40 2.20 3 6 -10 -0.60 0.90 -3 6 10 1.30 2.20 2 -6 -10 2.50 2.20 2 -6 -10 -1.10 2.30 2 -6 -10 2.30 2.50 -2 6 10 1.60 2.30 2 6 -10 4.00 2.00 -2 6 10 2.40 2.20 -2 6 10 5.20 2.40 1 -6 -10 -0.10 2.20 1 -6 -10 0.30 2.40 1 -6 -10 -3.80 2.20 -1 6 10 0.10 2.40 -1 6 10 -1.70 2.00 1 6 -10 1.60 1.60 -1 6 10 1.70 2.10 0 -6 10 9.20 1.00 0 -6 -10 9.90 2.50 0 -6 -10 5.80 2.70 0 -6 10 8.70 0.90 0 -6 -10 9.40 2.70 0 6 10 9.40 2.40 0 6 10 9.90 2.50 0 6 -10 8.50 1.50 0 6 10 8.20 2.30 -1 -6 -10 63.39 4.00 -1 -6 -10 56.99 4.00 -1 -6 -10 64.69 4.60 1 -6 10 59.29 2.60 1 6 10 59.69 4.20 1 6 10 56.59 3.90 1 6 10 65.69 4.30 -1 6 -10 55.59 2.60 -1 6 -10 60.39 2.50 -1 6 -10 63.49 2.50 -2 -6 -10 4.80 2.90 2 -6 10 3.80 1.90 2 -6 10 5.50 1.30 -2 -6 -10 7.00 2.60 2 -6 10 3.10 1.80 -2 -6 -10 6.90 2.90 2 6 10 9.20 2.80 2 6 10 6.80 2.50 -2 6 -10 5.10 1.70 -2 6 -10 3.90 1.70 2 6 10 2.90 2.40 -2 6 -10 5.00 1.30 3 -6 10 37.00 3.40 -3 -6 -10 37.20 3.70 3 -6 10 38.40 3.50 -3 -6 -10 41.70 3.80 -3 -6 -10 43.70 4.10 3 -6 10 39.90 2.60 3 6 10 40.80 4.40 -3 6 -10 39.70 3.30 3 6 10 40.20 6.00 -3 6 -10 36.60 3.40 3 6 10 45.40 4.00 -4 -6 -10 16.40 3.50 4 -6 10 25.50 3.00 4 -6 10 21.50 3.20 4 -6 10 20.40 2.20 -4 -6 -10 23.00 3.50 4 6 10 17.10 3.60 -4 6 -10 17.70 2.90 -4 6 -10 19.80 2.80 4 6 10 20.20 3.50 5 -6 10 75.29 5.40 -5 -6 -10 69.39 5.50 5 -6 10 73.79 5.10 -5 -6 -10 77.29 5.70 5 -6 10 66.19 4.30 5 6 10 71.69 5.70 -5 6 -10 69.99 5.10 -5 6 -10 65.19 4.90 5 6 10 79.19 5.70 -6 -6 -10 4.10 3.50 -6 -6 -10 6.60 3.70 6 -6 10 3.80 3.50 6 -6 10 3.80 2.60 6 6 10 4.10 3.80 -6 6 -10 4.70 3.20 6 6 10 4.50 3.60 7 -6 10 4.20 3.40 -7 -6 -10 1.00 3.40 -7 -6 -10 -8.50 3.50 7 -6 10 -4.20 3.60 7 -6 10 -1.10 2.80 -7 6 -10 -2.50 3.10 7 6 10 -2.90 4.10 7 6 10 0.40 4.00 -7 6 -10 0.40 3.10 7 6 10 2.40 4.00 8 -6 10 2.10 3.30 -8 -6 -10 1.80 4.10 8 -6 10 0.00 4.70 -8 6 -10 7.20 3.90 8 6 10 1.70 4.60 -8 6 -10 8.20 3.80 8 6 10 2.90 4.10 8 -7 -10 -2.50 4.30 -8 -7 10 4.90 3.00 8 -7 -10 4.50 4.10 8 -7 -10 6.60 4.50 -8 -7 10 10.10 3.40 8 7 -10 2.60 3.00 -8 7 10 -0.40 3.80 8 7 -10 1.90 3.00 -7 -7 10 -0.60 2.60 7 -7 -10 6.00 3.60 7 -7 -10 -4.60 3.80 7 -7 -10 -1.30 3.70 7 7 -10 2.40 2.80 -7 7 10 7.20 4.10 7 7 -10 1.30 2.60 -7 7 10 5.50 3.90 6 -7 -10 7.00 3.80 -6 -7 10 7.10 2.40 6 -7 -10 11.40 3.70 6 -7 -10 5.50 3.60 -6 -7 10 8.00 2.60 6 7 -10 8.60 2.50 6 7 -10 7.90 2.40 -6 7 10 0.70 3.10 -6 7 10 2.70 3.40 -5 -7 10 25.50 2.50 5 -7 -10 23.60 4.10 5 -7 -10 15.20 4.30 -5 -7 10 20.80 2.50 5 -7 -10 16.90 3.80 -5 7 10 19.90 3.70 -5 7 10 26.90 4.10 5 7 -10 24.90 2.30 5 7 -10 20.30 2.40 4 -7 -10 20.80 3.40 -4 -7 10 21.80 2.10 4 -7 -10 17.30 3.30 4 -7 -10 16.80 3.50 4 7 -10 27.90 2.00 -4 7 10 20.70 3.50 -4 7 10 20.40 3.40 4 7 -10 19.60 1.90 -3 -7 10 1.30 1.10 3 -7 -10 2.80 2.90 3 -7 -10 2.60 2.70 -3 -7 10 3.30 1.10 3 -7 -10 0.60 2.60 -3 7 10 1.90 2.60 3 7 -10 3.20 0.90 3 7 -10 4.90 0.90 -3 7 10 1.60 2.60 -3 7 10 2.60 2.50 2 -7 -10 50.99 4.50 2 -7 -10 52.59 4.20 2 -7 -10 56.19 4.40 -2 7 10 53.29 4.10 2 7 -10 57.19 3.70 -2 7 10 54.39 4.20 -2 7 10 53.29 4.30 1 -7 -10 0.60 2.60 1 -7 -10 0.70 2.30 1 -7 -10 1.00 2.50 -1 7 10 -4.60 2.40 -1 7 10 1.30 2.00 -1 7 10 -4.00 2.20 1 7 -10 -0.60 1.50 0 -7 -10 108.19 5.20 0 -7 10 94.49 2.60 0 -7 10 92.29 2.50 0 -7 -10 83.59 4.80 0 -7 -10 87.09 4.70 0 7 10 90.59 4.70 0 7 10 88.99 4.60 0 7 -10 92.19 2.30 0 7 -10 95.29 3.30 0 7 -10 93.09 2.30 0 7 10 94.79 4.80 1 -7 10 2.00 1.40 -1 -7 -10 4.10 2.60 -1 -7 -10 6.10 2.60 1 7 10 1.90 2.30 1 7 10 4.40 2.40 -1 7 -10 1.10 1.30 -1 7 -10 4.30 1.40 1 7 10 4.70 2.70 -2 -7 -10 72.59 4.70 2 -7 10 68.79 3.40 -2 -7 -10 67.39 4.60 2 -7 10 63.59 3.50 -2 -7 -10 70.69 5.40 2 7 10 77.99 5.50 2 7 10 63.19 5.60 -2 7 -10 76.59 3.40 -2 7 -10 72.59 3.40 2 7 10 71.49 4.80 -3 -7 -10 5.30 3.20 3 -7 10 0.90 1.90 3 -7 10 0.10 2.20 -3 -7 -10 4.00 2.90 3 -7 10 0.60 2.30 -3 -7 -10 -0.10 3.30 -3 7 -10 1.30 2.00 3 7 10 -0.60 2.70 3 7 10 -3.50 2.60 3 7 10 2.40 3.10 -3 7 -10 2.60 2.10 -4 -7 -10 9.60 3.30 4 -7 10 14.80 3.00 -4 -7 -10 14.30 3.70 4 -7 10 11.00 1.80 4 -7 10 14.70 3.20 4 7 10 10.60 3.40 4 7 10 13.90 4.30 -4 7 -10 10.40 2.90 -4 7 -10 12.80 3.60 4 7 10 14.50 3.60 -5 -7 -10 5.10 3.30 5 -7 10 0.10 2.80 -5 -7 -10 2.50 3.60 5 -7 10 2.00 3.10 5 -7 10 -2.10 1.90 -5 7 -10 3.10 2.80 5 7 10 0.10 3.30 -5 7 -10 6.00 3.10 5 7 10 2.20 3.30 6 -7 10 2.50 3.40 -6 -7 -10 -0.40 3.40 6 -7 10 -2.00 2.30 6 -7 10 5.30 3.50 -6 -7 -10 4.30 3.90 -6 7 -10 -2.00 2.90 6 7 10 0.30 3.60 -6 7 -10 3.20 5.40 -7 -7 -10 7.40 4.10 -7 -7 -10 10.10 4.10 7 -7 10 4.60 3.50 7 -7 10 6.60 4.20 7 -7 10 10.60 2.90 -7 7 -10 9.00 3.70 7 7 10 7.20 6.50 7 7 10 8.50 4.10 -7 7 -10 5.30 3.50 7 7 10 6.10 4.20 7 -8 -10 -0.80 3.60 7 -8 -10 8.60 6.10 7 -8 -10 0.90 4.50 -7 -8 10 1.60 2.90 -7 -8 10 0.30 2.60 -7 8 10 -0.30 4.80 7 8 -10 -1.50 2.60 -7 8 10 2.70 3.70 6 -8 -10 0.10 3.70 6 -8 -10 -3.80 3.70 -6 -8 10 -0.50 2.30 6 -8 -10 -0.40 3.30 -6 -8 10 1.30 2.40 -6 8 10 5.00 3.80 6 8 -10 1.30 2.20 -6 8 10 0.90 4.20 5 -8 -10 29.90 4.40 5 -8 -10 32.70 5.80 5 -8 -10 31.20 4.10 -5 -8 10 33.30 3.20 -5 8 10 42.80 4.50 5 8 -10 36.90 3.00 -5 8 10 33.10 4.20 4 -8 -10 43.70 4.20 4 -8 -10 51.89 4.80 -4 -8 10 47.30 2.80 4 -8 -10 45.60 5.00 4 8 -10 43.90 2.50 4 8 -10 49.40 2.60 -4 8 10 52.39 4.60 -4 8 10 46.60 4.40 -3 -8 10 3.40 1.20 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18.10 2.70 -3 -8 -10 22.20 3.70 3 -8 10 18.40 2.70 3 8 10 30.40 4.60 -3 8 -10 25.80 2.80 3 8 10 23.60 3.50 -3 8 -10 28.40 2.90 3 8 10 21.30 3.50 4 -8 10 9.60 2.90 4 -8 10 7.60 2.20 -4 -8 -10 11.70 3.50 4 -8 10 9.50 3.10 4 8 10 10.50 3.50 -4 8 -10 10.40 2.80 -4 8 -10 11.40 2.90 4 8 10 11.30 3.40 4 8 10 14.50 3.90 -5 -8 -10 22.20 4.30 -5 -8 -10 18.60 4.00 5 -8 10 15.30 2.00 5 -8 10 18.30 3.70 -5 8 -10 12.60 3.20 -5 8 -10 18.80 3.40 5 8 10 19.00 4.20 5 8 10 13.80 3.90 5 8 10 17.40 3.70 -6 -8 -10 9.50 4.00 -6 -8 -10 6.20 4.00 6 -8 10 10.40 3.80 6 -8 10 9.30 3.40 6 -8 10 8.70 2.30 6 8 10 11.60 3.90 -6 8 -10 6.30 3.10 6 8 10 11.40 3.90 -6 8 -10 18.10 4.70 7 -8 10 -0.80 3.90 -7 -8 -10 7.50 4.30 7 -8 10 4.50 2.70 -7 8 -10 1.60 5.20 7 8 10 15.80 7.80 -7 8 -10 5.10 3.50 7 -9 -10 -0.80 3.50 7 -9 -10 1.50 4.00 -7 -9 10 -3.40 2.40 -7 -9 10 -1.60 4.50 7 9 -10 0.20 2.60 -7 9 10 -0.60 3.80 6 -9 -10 1.00 3.90 6 -9 -10 7.00 3.60 -6 -9 10 0.20 2.40 -6 -9 10 0.70 2.30 6 -9 -10 4.80 3.60 -6 9 10 -4.20 3.40 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14 50.79 4.60 0 6 14 42.70 3.50 0 6 -14 43.40 3.50 -1 -6 -14 150.28 6.90 -1 -6 -14 139.09 6.00 1 -6 14 133.49 3.90 -1 -6 -14 140.19 5.90 1 -6 14 140.99 4.90 -1 6 -14 131.19 3.60 -1 6 -14 135.49 4.90 -1 6 -14 136.89 3.70 1 6 14 140.19 6.30 1 6 14 141.49 6.10 1 6 14 139.89 5.70 2 -6 14 37.50 3.20 2 -6 14 41.60 3.20 -2 -6 -14 45.50 6.50 2 -6 14 37.10 3.40 -2 -6 -14 38.50 4.30 2 6 14 44.00 4.10 2 6 14 56.39 4.70 -2 6 -14 42.30 2.90 -2 6 -14 40.90 3.00 -2 6 -14 35.30 3.40 2 6 14 48.80 4.10 -3 -6 -14 383.46 11.90 3 -6 14 392.26 9.70 3 -6 14 382.86 9.70 3 -6 14 384.36 9.50 -3 -6 -14 401.16 10.90 -3 -6 -14 404.66 11.00 3 6 14 393.46 11.00 3 6 14 395.66 10.70 -3 6 -14 380.16 9.50 -3 6 -14 430.26 11.80 4 -6 14 10.10 3.10 4 -6 14 8.00 2.80 -4 -6 -14 7.20 3.40 -4 -6 -14 8.50 3.70 4 -6 14 9.20 2.30 4 6 14 7.40 3.70 -4 6 -14 12.70 2.90 4 6 14 6.10 3.40 -4 6 -14 8.40 2.70 -5 -6 -14 42.50 4.90 -5 -6 -14 34.70 4.40 5 -6 14 30.20 3.20 5 -6 14 36.00 3.90 -5 6 -14 38.00 3.70 5 6 14 26.60 4.40 5 6 14 47.40 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7 14 165.08 6.80 2 -7 -14 150.18 6.70 2 -7 -14 144.59 8.40 2 -7 -14 132.49 6.20 -2 7 14 111.79 5.50 -2 7 14 135.19 6.20 -2 7 14 136.89 6.40 2 7 -14 139.19 5.80 1 -7 -14 69.39 5.60 1 -7 -14 68.59 5.00 1 -7 -14 59.29 5.50 -1 7 14 70.09 5.20 -1 7 14 58.59 4.60 -1 7 14 72.09 5.00 1 7 -14 65.49 4.20 0 -7 -14 1.90 3.40 0 -7 -14 -2.50 2.80 0 7 14 3.40 2.80 0 7 -14 -0.80 1.90 0 7 14 -3.00 2.80 0 7 14 1.20 2.80 1 -7 14 262.67 6.20 1 -7 14 269.77 6.10 -1 -7 -14 283.17 8.90 -1 -7 -14 256.57 10.60 -1 -7 -14 256.17 12.70 1 7 14 276.57 9.00 -1 7 -14 266.27 5.90 -1 7 -14 264.27 7.00 1 7 14 279.67 8.70 -1 7 -14 271.77 6.00 1 7 14 269.07 8.20 -2 -7 -14 18.10 4.00 2 -7 14 7.30 1.90 -2 -7 -14 10.50 3.50 2 -7 14 10.40 2.10 2 -7 14 9.50 2.20 -2 -7 -14 9.60 3.40 -2 7 -14 6.40 1.90 -2 7 -14 8.50 2.00 2 7 14 12.30 3.60 2 7 14 7.90 3.10 -2 7 -14 11.60 2.00 2 7 14 13.00 3.60 3 -7 14 32.60 3.10 3 -7 14 41.00 3.80 3 -7 14 39.60 3.20 -3 -7 -14 35.40 4.30 -3 -7 -14 34.70 4.50 -3 -7 -14 30.60 4.10 -3 7 -14 37.70 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8 -14 12.50 3.90 -5 8 14 8.30 3.60 4 -8 -14 5.00 3.50 4 -8 -14 6.50 3.80 4 -8 -14 4.60 3.80 -4 8 14 10.10 3.70 4 8 -14 2.40 3.10 3 -8 -14 166.58 7.20 3 -8 -14 170.58 7.30 3 -8 -14 154.88 7.50 -3 8 14 161.28 6.90 3 8 -14 159.98 6.60 -3 8 14 163.28 7.20 2 -8 -14 27.60 3.80 2 -8 -14 36.50 4.20 2 -8 -14 35.10 4.10 -2 8 14 44.70 4.40 -2 8 14 36.90 4.00 -2 8 14 29.60 3.70 2 8 -14 44.90 4.30 1 -8 -14 130.39 6.30 1 -8 -14 124.59 8.30 1 -8 -14 123.79 6.10 -1 8 14 123.09 5.90 1 8 -14 120.79 5.00 -1 8 14 121.59 6.10 -1 8 14 118.69 6.40 0 -8 -14 19.10 3.70 0 -8 -14 24.50 4.00 0 -8 -14 20.40 4.10 0 8 14 22.80 3.80 0 8 -14 22.00 2.40 0 8 14 21.40 3.40 0 8 14 31.70 3.80 -1 -8 -14 37.30 4.30 1 -8 14 24.00 2.30 1 -8 14 24.20 2.00 -1 -8 -14 33.00 4.30 -1 -8 -14 23.80 4.00 1 8 14 32.80 4.00 -1 8 -14 19.50 2.50 1 8 14 29.10 4.00 -1 8 -14 22.80 1.90 1 8 14 23.10 3.70 -1 8 -14 26.20 1.90 2 -8 14 14.30 2.30 2 -8 14 18.00 2.70 -2 -8 -14 19.60 4.10 -2 -8 -14 8.90 3.90 -2 -8 -14 21.00 3.90 2 8 14 16.10 4.70 -2 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2.90 1 2 -25 1.40 1.70 -1 2 25 1.20 3.10 1 2 -25 -0.70 4.00 1 2 -25 -1.10 1.80 0 -2 -25 18.50 3.40 0 -2 25 8.70 3.80 0 -2 -25 10.90 3.10 0 -2 25 2.20 1.70 0 -2 -25 -1.80 4.50 0 2 -25 6.50 4.00 0 2 -25 7.50 2.10 0 2 25 10.60 3.50 0 2 25 4.70 3.00 -1 -2 -25 7.20 3.20 1 -2 25 6.80 2.70 -1 -2 -25 8.40 5.60 -1 -2 -25 5.80 3.10 1 -2 25 2.80 3.40 -1 2 -25 4.80 2.30 -1 2 -25 -1.70 3.70 1 2 25 5.30 3.60 1 2 25 7.30 2.90 -1 2 -25 6.70 2.30 -2 -2 -25 18.20 4.40 2 -2 25 12.10 2.80 2 -2 25 17.80 4.20 -2 -2 -25 0.70 6.60 -2 -2 -25 16.80 3.80 -2 2 -25 16.40 2.90 -2 2 -25 8.30 4.20 -2 2 -25 23.90 3.60 2 2 25 24.10 4.20 -2 -3 25 0.00 1.50 2 -3 -25 -1.90 4.50 2 -3 -25 -4.00 2.90 2 -3 -25 1.00 3.10 -2 -3 25 1.00 1.40 -2 3 25 0.30 3.00 2 3 -25 2.30 4.10 -2 3 25 -2.10 3.20 1 -3 -25 7.50 3.30 1 -3 -25 6.70 3.10 1 -3 -25 2.70 4.10 1 3 -25 9.40 3.90 -1 3 25 9.50 3.50 -1 3 25 9.10 3.30 1 3 -25 8.10 1.30 0 -3 25 -1.00 1.60 0 -3 25 1.90 3.60 0 -3 -25 3.40 3.10 0 -3 -25 2.10 3.20 0 -3 25 2.60 1.90 0 -3 -25 -3.20 4.20 0 3 -25 -2.20 1.90 0 3 25 -0.10 3.40 0 3 25 -2.60 2.90 0 3 -25 -1.70 3.50 0 3 -25 -1.60 1.60 1 -3 25 -1.80 1.40 -1 -3 -25 6.90 4.40 -1 -3 -25 7.90 3.40 -1 -3 -25 1.80 3.30 1 3 25 4.70 3.70 1 3 25 5.50 3.50 -1 3 -25 0.80 3.60 -1 3 -25 2.00 2.00 2 -3 25 -3.60 2.30 -2 -3 -25 4.50 3.50 -2 -3 -25 -4.40 4.30 2 -3 25 -1.20 5.30 -2 -3 -25 -6.50 5.50 2 -3 25 -1.10 2.60 -2 3 -25 -1.50 2.30 -2 3 -25 0.20 2.30 -2 3 -25 -5.90 3.50 2 3 25 4.80 3.80 2 -4 -25 2.40 4.30 2 -4 -25 3.10 4.50 2 -4 -25 5.40 3.40 -2 4 25 2.20 3.40 2 4 -25 1.90 3.90 1 -4 -25 3.30 3.50 1 -4 -25 1.90 5.20 1 -4 -25 -1.40 4.30 -1 4 25 -2.20 3.50 1 4 -25 -2.10 3.70 0 -4 -25 1.40 4.30 0 -4 -25 6.20 5.30 0 -4 -25 9.40 3.50 0 -4 25 6.10 1.60 0 -4 25 12.10 6.30 0 -4 25 10.50 1.90 0 4 25 11.30 3.90 0 4 -25 6.10 3.70 -1 -4 -25 5.60 3.60 1 -4 25 9.90 3.60 -1 -4 -25 7.60 6.10 1 -4 25 3.40 1.70 1 -4 25 8.50 2.00 -1 -4 -25 7.30 4.50 -1 4 -25 8.10 1.80 -1 4 -25 8.20 1.80 -1 4 -25 4.60 3.60 1 4 25 8.50 3.90 1 -5 -25 4.40 3.60 1 -5 -25 2.90 4.00 1 -5 -25 0.30 4.30 1 5 -25 4.10 3.80 -1 5 25 5.90 4.00 0 -5 -25 6.00 3.80 0 -5 -25 6.00 4.80 0 -5 -25 1.80 3.30 0 5 -25 4.70 3.70 0 5 25 -0.70 3.70 1 0 -26 2.20 2.40 -1 0 26 -0.40 4.40 1 0 -26 1.30 2.40 -1 0 26 1.80 2.70 1 0 -26 -0.30 4.30 0 0 -26 6.70 3.90 0 0 26 -1.00 2.80 0 0 -26 -1.40 7.00 0 0 -26 -6.60 2.30 0 0 26 1.00 2.70 1 0 26 -0.20 3.00 -1 0 -26 -0.10 2.70 -1 0 -26 2.20 2.70 -1 0 -26 -7.30 5.60 1 0 26 0.20 2.60 1 -1 -26 5.80 4.30 1 -1 -26 3.60 2.80 -1 -1 26 5.00 2.50 1 -1 -26 0.60 2.70 -1 1 26 9.60 5.20 1 1 -26 1.80 2.00 1 1 -26 4.80 2.30 -1 1 26 1.50 2.80 0 -1 26 3.10 3.80 0 -1 26 0.60 2.50 0 -1 -26 6.10 3.00 0 -1 -26 0.90 2.70 0 -1 26 3.30 2.60 0 -1 -26 -4.60 3.90 0 1 26 -2.40 3.20 0 1 -26 -0.70 2.10 0 1 -26 0.70 2.30 0 1 -26 5.10 4.10 0 1 26 -2.40 2.70 -1 -1 -26 4.80 3.00 1 -1 26 2.00 2.40 -1 -1 -26 8.70 4.70 1 -1 26 4.40 3.00 1 -1 26 4.90 3.40 -1 -1 -26 1.30 2.90 1 1 26 5.90 2.70 -1 1 -26 1.10 2.40 1 1 26 6.80 3.40 -1 1 -26 3.70 4.20 1 -2 -26 3.70 2.90 -1 -2 26 2.50 1.60 1 -2 -26 -5.60 4.00 1 -2 -26 1.30 2.90 -1 -2 26 -1.90 4.30 -1 -2 26 -1.60 1.20 1 2 -26 1.60 1.80 1 2 -26 -0.20 1.80 -1 2 26 -3.70 3.00 -1 2 26 -0.70 3.00 1 2 -26 4.00 4.20 0 -2 -26 10.30 3.20 0 -2 -26 0.00 4.30 0 -2 26 2.50 3.60 0 -2 -26 2.80 3.00 0 2 26 3.70 3.40 0 2 -26 6.30 4.20 0 2 -26 1.30 1.90 0 2 26 0.50 3.10 -1 -2 -26 -1.70 4.00 1 -2 26 0.90 2.30 1 -2 26 0.10 2.60 -1 -2 -26 -0.40 3.00 1 -2 26 3.10 3.80 1 2 26 8.50 3.80 -1 2 -26 3.50 2.30 -1 2 -26 -3.20 3.90 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 46931 _shelx_res_file ; TITL umd2577k_a.res in P2(1)/c umd2577k_a.res created by SHELXL-2018/3 at 20:17:10 on 23-May-2022 REM Old TITL umd2577k in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.236, Rweak 0.023, Alpha 0.039 REM 0.735 for 205 systematic absences, Orientation as input REM Formula found by SHELXT: C23 N2 O5 CELL 0.71073 8.0087 13.7968 21.8782 90 90.749 90 ZERR 4 0.0012 0.0017 0.0026 0 0.004 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N O UNIT 92 144 8 20 EQIV $1 1-X,-0.5+Y,0.5-Z EQIV $2 1-X,1-Y,1-Z EQIV $3 -X,1-Y,1-Z DFIX 1.36 0.01 O5 C22 O5A C22A DFIX 0.86 0.01 N1 H1 SADI 0.01 C22 C23 C22A C23A DELU O5 C22 C23 O5A C22A C23A ISOR 0.001 0.002 O5 C22 C23 O5A C22A C23A L.S. 40 PLAN 7 SIZE 0.22 0.27 0.3 TEMP 24 CONF HTAB N2 O4_$2 HTAB N1 O3_$1 HTAB O5 O4_$3 HTAB O5A O4_$3 BOND $H LIST 6 fmap 2 acta MORE -1 REM REM REM WGHT 0.077200 1.235300 FVAR 0.55593 0.53139 O1 4 0.209200 0.365305 0.303054 11.00000 0.08130 0.04515 = 0.03985 -0.00891 0.01492 -0.00159 O2 4 0.258411 0.522785 0.289027 11.00000 0.14202 0.05657 = 0.05104 0.00064 0.00402 -0.02510 O3 4 0.356285 0.732092 0.480287 11.00000 0.14169 0.07492 = 0.04557 -0.01148 0.02837 -0.04331 O4 4 0.294473 0.670921 0.569653 11.00000 0.13033 0.06855 = 0.03762 -0.01263 0.01700 -0.03674 N1 3 0.495234 0.274737 0.129153 11.00000 0.08580 0.05671 = 0.03645 -0.00605 0.01549 0.00331 N2 3 0.613542 0.159996 0.379259 11.00000 0.06691 0.04266 = 0.04279 -0.00497 0.00093 -0.00097 C1 1 0.597523 0.269437 0.179145 11.00000 0.07040 0.05561 = 0.04910 -0.00178 0.01132 0.00201 AFIX 43 H1A 2 0.708687 0.250056 0.178280 11.00000 -1.20000 AFIX 0 C2 1 0.341318 0.304421 0.146727 11.00000 0.07566 0.04032 = 0.03819 -0.00339 0.00861 -0.00191 C3 1 0.194737 0.317505 0.113405 11.00000 0.09044 0.05922 = 0.03907 -0.00449 -0.00464 -0.00399 AFIX 43 H3 2 0.191217 0.307090 0.071410 11.00000 -1.20000 AFIX 0 C4 1 0.055141 0.346220 0.144078 11.00000 0.07544 0.07401 = 0.06041 -0.00128 -0.01089 -0.00377 AFIX 43 H4 2 -0.044828 0.354362 0.122584 11.00000 -1.20000 AFIX 0 C5 1 0.059931 0.363549 0.207107 11.00000 0.06344 0.06295 = 0.06213 -0.00765 0.00693 0.00231 AFIX 43 H5 2 -0.035912 0.383807 0.226972 11.00000 -1.20000 AFIX 0 C6 1 0.204461 0.350803 0.239285 11.00000 0.06927 0.04284 = 0.03921 -0.00708 0.00783 -0.00413 C7 1 0.350311 0.319924 0.210866 11.00000 0.06623 0.03604 = 0.03605 -0.00421 0.00500 -0.00538 C8 1 0.515910 0.296191 0.230530 11.00000 0.06503 0.04102 = 0.04167 -0.00244 0.00505 -0.00398 C9 1 0.583221 0.284960 0.294403 11.00000 0.06709 0.04802 = 0.04444 -0.00630 0.00132 -0.00426 AFIX 23 H9A 2 0.528225 0.330228 0.321445 11.00000 -1.20000 H9B 2 0.702044 0.298597 0.295389 11.00000 -1.20000 AFIX 0 C10 1 0.551807 0.181574 0.315412 11.00000 0.06489 0.04823 = 0.04075 -0.00447 -0.00096 -0.00409 AFIX 23 H10A 2 0.432721 0.168963 0.313271 11.00000 -1.20000 H10B 2 0.605720 0.137478 0.287333 11.00000 -1.20000 AFIX 0 C11 1 0.771617 0.098988 0.378514 11.00000 0.07820 0.06629 = 0.06191 -0.00736 -0.00673 0.01737 AFIX 13 H11 2 0.745795 0.037954 0.357516 11.00000 -1.20000 AFIX 0 C12 1 0.832372 0.075031 0.442742 11.00000 0.10317 0.11331 = 0.07990 0.00308 -0.02074 0.03306 AFIX 137 H12A 2 0.753581 0.032798 0.461969 11.00000 -1.50000 H12B 2 0.843001 0.133711 0.466050 11.00000 -1.50000 H12C 2 0.938971 0.043428 0.440839 11.00000 -1.50000 AFIX 0 C13 1 0.905859 0.150623 0.342909 11.00000 0.06591 0.11169 = 0.09351 -0.01133 0.00702 0.01624 AFIX 137 H13A 2 0.866622 0.162243 0.301912 11.00000 -1.50000 H13B 2 1.004393 0.111058 0.341935 11.00000 -1.50000 H13C 2 0.931685 0.211311 0.362305 11.00000 -1.50000 AFIX 0 C14 1 0.477271 0.117922 0.418773 11.00000 0.08118 0.05157 = 0.05203 0.00420 0.00748 -0.00853 AFIX 13 H14 2 0.526311 0.106134 0.459368 11.00000 -1.20000 AFIX 0 C15 1 0.414754 0.021115 0.394488 11.00000 0.12604 0.05619 = 0.10229 0.00059 0.02190 -0.02459 AFIX 137 H15A 2 0.505966 -0.023937 0.393021 11.00000 -1.50000 H15B 2 0.368656 0.029758 0.354130 11.00000 -1.50000 H15C 2 0.330151 -0.003624 0.420973 11.00000 -1.50000 AFIX 0 C16 1 0.337693 0.190319 0.426463 11.00000 0.07750 0.07584 = 0.07285 -0.00358 0.01659 -0.00692 AFIX 137 H16A 2 0.255515 0.164077 0.453397 11.00000 -1.50000 H16B 2 0.286909 0.203677 0.387375 11.00000 -1.50000 H16C 2 0.381923 0.249228 0.443505 11.00000 -1.50000 AFIX 0 C17 1 0.238644 0.456966 0.322843 11.00000 0.06514 0.04943 = 0.04703 -0.00791 0.00677 -0.00509 C18 1 0.244999 0.461191 0.391009 11.00000 0.08094 0.05151 = 0.04662 -0.00912 0.00961 -0.00311 AFIX 23 H18A 2 0.336436 0.420965 0.405661 11.00000 -1.20000 H18B 2 0.142255 0.434400 0.406826 11.00000 -1.20000 AFIX 0 C19 1 0.267777 0.562419 0.415818 11.00000 0.08347 0.05557 = 0.04869 -0.01205 0.00499 -0.00814 AFIX 23 H19A 2 0.373719 0.587837 0.402005 11.00000 -1.20000 H19B 2 0.179984 0.603603 0.399319 11.00000 -1.20000 AFIX 0 C20 1 0.264202 0.566814 0.484223 11.00000 0.09776 0.06282 = 0.04654 -0.01305 0.01049 -0.01811 AFIX 23 H20A 2 0.341419 0.518749 0.500346 11.00000 -1.20000 H20B 2 0.153216 0.548829 0.497359 11.00000 -1.20000 AFIX 0 C21 1 0.308131 0.664270 0.512314 11.00000 0.08408 0.06236 = 0.04196 -0.01094 0.01425 -0.01900 H2 2 0.640239 0.217301 0.395915 11.00000 0.06379 H1 2 0.525708 0.261284 0.092908 11.00000 0.06845 PART 1 O5 4 -0.127822 0.464265 0.366694 21.00000 0.12492 0.12042 = 0.12270 0.01010 0.00082 0.00157 AFIX 147 H5A 2 -0.165922 0.438097 0.397138 21.00000 -1.50000 AFIX 0 C22 1 -0.248939 0.530852 0.341731 21.00000 0.10610 0.10467 = 0.10697 -0.00008 0.00035 0.00102 AFIX 23 H22A 2 -0.281815 0.577081 0.372735 21.00000 -1.20000 H22B 2 -0.347635 0.495888 0.328047 21.00000 -1.20000 AFIX 0 C23 1 -0.172022 0.582731 0.289061 21.00000 0.10748 0.10413 = 0.10629 0.00215 0.00278 0.00609 AFIX 33 H23A 2 -0.251356 0.627541 0.271841 21.00000 -1.50000 H23B 2 -0.074882 0.617423 0.303038 21.00000 -1.50000 H23C 2 -0.140469 0.536518 0.258509 21.00000 -1.50000 AFIX 0 PART 2 O5A 4 -0.133693 0.447389 0.350120 -21.00000 0.06962 0.05980 = 0.06713 0.00866 0.00752 -0.00109 AFIX 147 H5AA 2 -0.198660 0.410977 0.367474 -21.00000 -1.50000 AFIX 0 C22A 1 -0.196295 0.543657 0.351968 -21.00000 0.09799 0.09608 = 0.09855 0.00035 0.00010 0.00214 AFIX 23 H22C 2 -0.106576 0.590542 0.356016 -21.00000 -1.20000 H22D 2 -0.273691 0.552244 0.385271 -21.00000 -1.20000 AFIX 0 C23A 1 -0.281404 0.551751 0.292260 -21.00000 0.09788 0.09403 = 0.09999 0.00157 -0.00611 0.00240 AFIX 33 H23D 2 -0.329689 0.615146 0.288185 -21.00000 -1.50000 H23E 2 -0.202252 0.541673 0.260303 -21.00000 -1.50000 H23F 2 -0.367862 0.503720 0.289294 -21.00000 -1.50000 AFIX 0 HKLF 4 REM umd2577k_a.res in P2(1)/c REM wR2 = 0.1760, GooF = S = 1.036, Restrained GooF = 1.058 for all data REM R1 = 0.0597 for 3038 Fo > 4sig(Fo) and 0.0902 for all 4461 data REM 313 parameters refined using 46 restraints END WGHT 0.0772 1.2354 REM Highest difference peak 0.352, deepest hole -0.460, 1-sigma level 0.044 Q1 1 -0.3549 0.5010 0.3770 11.00000 0.05 0.35 Q2 1 -0.3571 0.5465 0.3157 11.00000 0.05 0.31 Q3 1 0.4458 0.6765 0.4827 11.00000 0.05 0.19 Q4 1 -0.3037 0.4984 0.2599 11.00000 0.05 0.18 Q5 1 0.4034 0.0152 0.3519 11.00000 0.05 0.14 Q6 1 -0.1401 0.5832 0.3928 11.00000 0.05 0.14 Q7 1 0.4790 -0.0028 0.3568 11.00000 0.05 0.14 ; _shelx_res_checksum 41801 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O O1 0.2092(2) 0.36531(11) 0.30305(7) 0.0553(5) Uani d 1 . . O O2 0.2584(3) 0.52278(14) 0.28903(8) 0.0832(7) Uani d 1 . . O O3 0.3563(3) 0.73209(16) 0.48029(8) 0.0872(7) Uani d 1 . . O O4 0.2945(3) 0.67092(14) 0.56965(8) 0.0787(7) Uani d 1 . . N N1 0.4952(3) 0.27474(16) 0.12915(9) 0.0595(6) Uani d 1 . . N N2 0.6135(3) 0.16000(15) 0.37926(9) 0.0508(5) Uani d 1 . . C C1 0.5975(4) 0.26944(19) 0.17914(11) 0.0583(7) Uani d 1 . . H H1A 0.708687 0.250056 0.178280 0.070 Uiso calc 1 . . C C2 0.3413(4) 0.30442(17) 0.14673(10) 0.0513(6) Uani d 1 . . C C3 0.1947(4) 0.31751(19) 0.11340(12) 0.0630(7) Uani d 1 . . H H3 0.191217 0.307090 0.071410 0.076 Uiso calc 1 . . C C4 0.0551(4) 0.3462(2) 0.14408(13) 0.0701(8) Uani d 1 . . H H4 -0.044828 0.354362 0.122584 0.084 Uiso calc 1 . . C C5 0.0599(4) 0.3635(2) 0.20711(12) 0.0628(7) Uani d 1 . . H H5 -0.035912 0.383807 0.226972 0.075 Uiso calc 1 . . C C6 0.2045(3) 0.35080(17) 0.23928(10) 0.0504(6) Uani d 1 . . C C7 0.3503(3) 0.31992(15) 0.21087(10) 0.0461(6) Uani d 1 . . C C8 0.5159(3) 0.29619(16) 0.23053(10) 0.0492(6) Uani d 1 . . C C9 0.5832(3) 0.28496(17) 0.29440(11) 0.0532(6) Uani d 1 . . H H9A 0.528225 0.330228 0.321445 0.064 Uiso calc 1 . . H H9B 0.702044 0.298597 0.295389 0.064 Uiso calc 1 . . C C10 0.5518(3) 0.18157(17) 0.31541(10) 0.0513(6) Uani d 1 . . H H10A 0.432721 0.168963 0.313271 0.062 Uiso calc 1 . . H H10B 0.605720 0.137478 0.287333 0.062 Uiso calc 1 . . C C11 0.7716(4) 0.0990(2) 0.37851(13) 0.0689(8) Uani d 1 . . H H11 0.745795 0.037954 0.357516 0.083 Uiso calc 1 . . C C12 0.8324(5) 0.0750(3) 0.44274(16) 0.0990(12) Uani d 1 . . H H12A 0.753581 0.032798 0.461969 0.148 Uiso calc 1 . . H H12B 0.843001 0.133711 0.466050 0.148 Uiso calc 1 . . H H12C 0.938971 0.043428 0.440839 0.148 Uiso calc 1 . . C C13 0.9059(4) 0.1506(3) 0.34291(17) 0.0903(11) Uani d 1 . . H H13A 0.866622 0.162243 0.301912 0.135 Uiso calc 1 . . H H13B 1.004393 0.111058 0.341935 0.135 Uiso calc 1 . . H H13C 0.931685 0.211311 0.362305 0.135 Uiso calc 1 . . C C14 0.4773(4) 0.11792(19) 0.41877(12) 0.0615(7) Uani d 1 . . H H14 0.526311 0.106134 0.459368 0.074 Uiso calc 1 . . C C15 0.4148(5) 0.0211(2) 0.39449(17) 0.0947(12) Uani d 1 . . H H15A 0.505966 -0.023937 0.393021 0.142 Uiso calc 1 . . H H15B 0.368656 0.029758 0.354130 0.142 Uiso calc 1 . . H H15C 0.330151 -0.003624 0.420973 0.142 Uiso calc 1 . . C C16 0.3377(4) 0.1903(2) 0.42646(14) 0.0753(9) Uani d 1 . . H H16A 0.255515 0.164077 0.453397 0.113 Uiso calc 1 . . H H16B 0.286909 0.203677 0.387375 0.113 Uiso calc 1 . . H H16C 0.381923 0.249228 0.443505 0.113 Uiso calc 1 . . C C17 0.2386(3) 0.45697(18) 0.32284(11) 0.0538(6) Uani d 1 . . C C18 0.2450(4) 0.46119(18) 0.39101(11) 0.0596(7) Uani d 1 . . H H18A 0.336436 0.420965 0.405661 0.072 Uiso calc 1 . . H H18B 0.142255 0.434400 0.406826 0.072 Uiso calc 1 . . C C19 0.2678(4) 0.56242(19) 0.41582(11) 0.0625(7) Uani d 1 . . H H19A 0.373719 0.587837 0.402005 0.075 Uiso calc 1 . . H H19B 0.179984 0.603603 0.399319 0.075 Uiso calc 1 . . C C20 0.2642(4) 0.5668(2) 0.48422(11) 0.0690(8) Uani d 1 . . H H20A 0.341419 0.518749 0.500346 0.083 Uiso calc 1 . . H H20B 0.153216 0.548829 0.497359 0.083 Uiso calc 1 . . C C21 0.3081(4) 0.6643(2) 0.51231(11) 0.0627(7) Uani d 1 . . H H2 0.640(3) 0.217(2) 0.3959(12) 0.064(8) Uiso d 1 . . H H1 0.526(3) 0.261(2) 0.0929(6) 0.068(8) Uiso d 1 . . O O5 -0.1278(12) 0.4643(7) 0.3667(5) 0.123(3) Uani d 0.531(11) A 1 H H5A -0.165922 0.438097 0.397138 0.184 Uiso calc 0.531(11) A 1 C C22 -0.2489(13) 0.5309(7) 0.3417(5) 0.106(3) Uani d 0.531(11) A 1 H H22A -0.281815 0.577081 0.372735 0.127 Uiso calc 0.531(11) A 1 H H22B -0.347635 0.495888 0.328047 0.127 Uiso calc 0.531(11) A 1 C C23 -0.1720(13) 0.5827(6) 0.2891(3) 0.106(3) Uani d 0.531(11) A 1 H H23A -0.251356 0.627541 0.271841 0.159 Uiso calc 0.531(11) A 1 H H23B -0.074882 0.617423 0.303038 0.159 Uiso calc 0.531(11) A 1 H H23C -0.140469 0.536518 0.258509 0.159 Uiso calc 0.531(11) A 1 O O5A -0.1337(9) 0.4474(4) 0.3501(3) 0.0655(18) Uani d 0.469(11) A 2 H H5AA -0.198660 0.410977 0.367474 0.098 Uiso calc 0.469(11) A 2 C C22A -0.1963(16) 0.5437(6) 0.3520(4) 0.098(3) Uani d 0.469(11) A 2 H H22C -0.106576 0.590542 0.356016 0.117 Uiso calc 0.469(11) A 2 H H22D -0.273691 0.552244 0.385271 0.117 Uiso calc 0.469(11) A 2 C C23A -0.2814(13) 0.5518(7) 0.2923(4) 0.097(3) Uani d 0.469(11) A 2 H H23D -0.329689 0.615146 0.288185 0.146 Uiso calc 0.469(11) A 2 H H23E -0.202252 0.541673 0.260303 0.146 Uiso calc 0.469(11) A 2 H H23F -0.367862 0.503720 0.289294 0.146 Uiso calc 0.469(11) 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 O1 0.0813(13) 0.0451(9) 0.0399(9) -0.0016(8) 0.0149(8) -0.0089(7) O2 0.142(2) 0.0566(12) 0.0510(11) -0.0251(12) 0.0040(12) 0.0006(9) O3 0.142(2) 0.0749(13) 0.0456(10) -0.0433(13) 0.0284(11) -0.0115(10) O4 0.1303(19) 0.0686(12) 0.0376(9) -0.0367(12) 0.0170(10) -0.0126(8) N1 0.0858(17) 0.0567(13) 0.0364(11) 0.0033(11) 0.0155(11) -0.0061(9) N2 0.0669(14) 0.0427(11) 0.0428(11) -0.0010(10) 0.0009(9) -0.0050(9) C1 0.0704(18) 0.0556(15) 0.0491(14) 0.0020(13) 0.0113(12) -0.0018(11) C2 0.0757(18) 0.0403(12) 0.0382(12) -0.0019(12) 0.0086(12) -0.0034(10) C3 0.090(2) 0.0592(16) 0.0391(13) -0.0040(15) -0.0046(14) -0.0045(11) C4 0.075(2) 0.0740(19) 0.0604(17) -0.0038(16) -0.0109(15) -0.0013(14) C5 0.0634(18) 0.0629(17) 0.0621(16) 0.0023(13) 0.0069(14) -0.0077(13) C6 0.0693(17) 0.0428(13) 0.0392(12) -0.0041(11) 0.0078(11) -0.0071(10) C7 0.0662(16) 0.0360(11) 0.0360(11) -0.0054(10) 0.0050(10) -0.0042(9) C8 0.0650(16) 0.0410(12) 0.0417(12) -0.0040(11) 0.0050(11) -0.0024(10) C9 0.0671(17) 0.0480(14) 0.0444(13) -0.0043(12) 0.0013(11) -0.0063(10) C10 0.0649(16) 0.0482(14) 0.0407(12) -0.0041(12) -0.0010(11) -0.0045(10) C11 0.078(2) 0.0663(18) 0.0619(16) 0.0174(15) -0.0067(14) -0.0074(14) C12 0.103(3) 0.113(3) 0.080(2) 0.033(2) -0.021(2) 0.003(2) C13 0.066(2) 0.112(3) 0.094(2) 0.0162(19) 0.0070(18) -0.011(2) C14 0.081(2) 0.0516(14) 0.0520(14) -0.0085(14) 0.0075(13) 0.0042(12) C15 0.126(3) 0.0562(18) 0.102(3) -0.0246(19) 0.022(2) 0.0006(17) C16 0.078(2) 0.076(2) 0.0728(19) -0.0069(16) 0.0166(16) -0.0036(15) C17 0.0651(17) 0.0494(14) 0.0470(13) -0.0051(12) 0.0068(11) -0.0079(11) C18 0.0809(19) 0.0515(14) 0.0466(14) -0.0031(13) 0.0096(13) -0.0091(11) C19 0.083(2) 0.0556(15) 0.0487(14) -0.0081(14) 0.0050(13) -0.0121(12) C20 0.098(2) 0.0628(17) 0.0465(14) -0.0181(15) 0.0105(14) -0.0130(12) C21 0.084(2) 0.0624(16) 0.0420(13) -0.0190(14) 0.0143(13) -0.0109(12) O5 0.125(4) 0.120(4) 0.123(4) 0.0016(19) 0.0008(19) 0.0101(19) C22 0.106(3) 0.105(3) 0.107(3) 0.0010(10) 0.0003(10) -0.0001(10) C23 0.107(3) 0.104(3) 0.106(3) 0.0061(19) 0.0028(19) 0.0021(19) O5A 0.070(2) 0.060(2) 0.067(2) -0.0011(15) 0.0075(16) 0.0087(16) C22A 0.098(3) 0.096(3) 0.099(3) 0.0021(10) 0.0001(10) 0.0004(10) C23A 0.098(4) 0.094(3) 0.100(3) 0.0024(19) -0.0061(19) 0.0016(19) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C17 O1 C6 . . 116.79(18) ? C1 N1 H1 . . 124(2) ? C2 N1 C1 . . 109.1(2) ? C2 N1 H1 . . 127(2) ? C10 N2 C11 . . 111.28(19) ? C10 N2 C14 . . 112.0(2) ? C10 N2 H2 . . 106.1(17) ? C11 N2 H2 . . 107.4(18) ? C14 N2 C11 . . 113.6(2) ? C14 N2 H2 . . 106.0(17) ? N1 C1 H1A . . 124.5 ? C8 C1 N1 . . 111.1(3) ? C8 C1 H1A . . 124.5 ? N1 C2 C3 . . 131.0(2) ? N1 C2 C7 . . 106.9(2) ? C3 C2 C7 . . 122.1(2) ? C2 C3 H3 . . 120.9 ? C4 C3 C2 . . 118.1(2) ? C4 C3 H3 . . 120.9 ? C3 C4 H4 . . 119.3 ? C3 C4 C5 . . 121.3(3) ? C5 C4 H4 . . 119.3 ? C4 C5 H5 . . 120.0 ? C6 C5 C4 . . 120.0(3) ? C6 C5 H5 . . 120.0 ? C5 C6 O1 . . 120.4(2) ? C5 C6 C7 . . 121.4(2) ? C7 C6 O1 . . 118.2(2) ? C2 C7 C8 . . 107.4(2) ? C6 C7 C2 . . 117.0(2) ? C6 C7 C8 . . 135.6(2) ? C1 C8 C7 . . 105.6(2) ? C1 C8 C9 . . 124.9(2) ? C7 C8 C9 . . 128.8(2) ? C8 C9 H9A . . 110.0 ? C8 C9 H9B . . 110.0 ? C8 C9 C10 . . 108.65(19) ? H9A C9 H9B . . 108.3 ? C10 C9 H9A . . 110.0 ? C10 C9 H9B . . 110.0 ? N2 C10 C9 . . 114.35(19) ? N2 C10 H10A . . 108.7 ? N2 C10 H10B . . 108.7 ? C9 C10 H10A . . 108.7 ? C9 C10 H10B . . 108.7 ? H10A C10 H10B . . 107.6 ? N2 C11 H11 . . 108.1 ? C12 C11 N2 . . 111.6(2) ? C12 C11 H11 . . 108.1 ? C13 C11 N2 . . 110.0(2) ? C13 C11 H11 . . 108.1 ? C13 C11 C12 . . 111.0(3) ? C11 C12 H12A . . 109.5 ? C11 C12 H12B . . 109.5 ? C11 C12 H12C . . 109.5 ? H12A C12 H12B . . 109.5 ? H12A C12 H12C . . 109.5 ? H12B C12 H12C . . 109.5 ? C11 C13 H13A . . 109.5 ? C11 C13 H13B . . 109.5 ? C11 C13 H13C . . 109.5 ? H13A C13 H13B . . 109.5 ? H13A C13 H13C . . 109.5 ? H13B C13 H13C . . 109.5 ? N2 C14 H14 . . 107.3 ? N2 C14 C15 . . 111.9(2) ? C15 C14 H14 . . 107.3 ? C16 C14 N2 . . 110.5(2) ? C16 C14 H14 . . 107.3 ? C16 C14 C15 . . 112.3(3) ? C14 C15 H15A . . 109.5 ? C14 C15 H15B . . 109.5 ? C14 C15 H15C . . 109.5 ? H15A C15 H15B . . 109.5 ? H15A C15 H15C . . 109.5 ? H15B C15 H15C . . 109.5 ? C14 C16 H16A . . 109.5 ? C14 C16 H16B . . 109.5 ? C14 C16 H16C . . 109.5 ? H16A C16 H16B . . 109.5 ? H16A C16 H16C . . 109.5 ? H16B C16 H16C . . 109.5 ? O1 C17 C18 . . 111.0(2) ? O2 C17 O1 . . 122.7(2) ? O2 C17 C18 . . 126.3(2) ? C17 C18 H18A . . 108.9 ? C17 C18 H18B . . 108.9 ? C17 C18 C19 . . 113.5(2) ? H18A C18 H18B . . 107.7 ? C19 C18 H18A . . 108.9 ? C19 C18 H18B . . 108.9 ? C18 C19 H19A . . 109.0 ? C18 C19 H19B . . 109.0 ? H19A C19 H19B . . 107.8 ? C20 C19 C18 . . 113.1(2) ? C20 C19 H19A . . 109.0 ? C20 C19 H19B . . 109.0 ? C19 C20 H20A . . 108.4 ? C19 C20 H20B . . 108.4 ? C19 C20 C21 . . 115.7(2) ? H20A C20 H20B . . 107.4 ? C21 C20 H20A . . 108.4 ? C21 C20 H20B . . 108.4 ? O3 C21 O4 . . 122.7(2) ? O3 C21 C20 . . 121.0(2) ? O4 C21 C20 . . 116.3(2) ? C22 O5 H5A . . 109.5 ? O5 C22 H22A . . 110.0 ? O5 C22 H22B . . 110.0 ? O5 C22 C23 . . 108.4(8) ? H22A C22 H22B . . 108.4 ? C23 C22 H22A . . 110.0 ? C23 C22 H22B . . 110.0 ? C22 C23 H23A . . 109.5 ? C22 C23 H23B . . 109.5 ? C22 C23 H23C . . 109.5 ? H23A C23 H23B . . 109.5 ? H23A C23 H23C . . 109.5 ? H23B C23 H23C . . 109.5 ? C22A O5A H5AA . . 109.5 ? O5A C22A H22C . . 111.4 ? O5A C22A H22D . . 111.4 ? O5A C22A C23A . . 101.9(7) ? H22C C22A H22D . . 109.3 ? C23A C22A H22C . . 111.4 ? C23A C22A H22D . . 111.4 ? C22A C23A H23D . . 109.5 ? C22A C23A H23E . . 109.5 ? C22A C23A H23F . . 109.5 ? H23D C23A H23E . . 109.5 ? H23D C23A H23F . . 109.5 ? H23E C23A H23F . . 109.5 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1 C6 . 1.409(3) ? O1 C17 . 1.356(3) ? O2 C17 . 1.183(3) ? O3 C21 . 1.234(3) ? O4 C21 . 1.264(3) ? N1 C1 . 1.360(4) ? N1 C2 . 1.359(3) ? N1 H1 . 0.853(10) ? N2 C10 . 1.505(3) ? N2 C11 . 1.521(4) ? N2 C14 . 1.517(3) ? N2 H2 . 0.90(3) ? C1 H1A . 0.9300 ? C1 C8 . 1.359(3) ? C2 C3 . 1.386(4) ? C2 C7 . 1.420(3) ? C3 H3 . 0.9300 ? C3 C4 . 1.370(4) ? C4 H4 . 0.9300 ? C4 C5 . 1.400(4) ? C5 H5 . 0.9300 ? C5 C6 . 1.358(4) ? C6 C7 . 1.397(3) ? C7 C8 . 1.427(4) ? C8 C9 . 1.499(3) ? C9 H9A . 0.9700 ? C9 H9B . 0.9700 ? C9 C10 . 1.521(3) ? C10 H10A . 0.9700 ? C10 H10B . 0.9700 ? C11 H11 . 0.9800 ? C11 C12 . 1.517(4) ? C11 C13 . 1.514(5) ? C12 H12A . 0.9600 ? C12 H12B . 0.9600 ? C12 H12C . 0.9600 ? C13 H13A . 0.9600 ? C13 H13B . 0.9600 ? C13 H13C . 0.9600 ? C14 H14 . 0.9800 ? C14 C15 . 1.520(4) ? C14 C16 . 1.510(4) ? C15 H15A . 0.9600 ? C15 H15B . 0.9600 ? C15 H15C . 0.9600 ? C16 H16A . 0.9600 ? C16 H16B . 0.9600 ? C16 H16C . 0.9600 ? C17 C18 . 1.493(3) ? C18 H18A . 0.9700 ? C18 H18B . 0.9700 ? C18 C19 . 1.509(3) ? C19 H19A . 0.9700 ? C19 H19B . 0.9700 ? C19 C20 . 1.498(3) ? C20 H20A . 0.9700 ? C20 H20B . 0.9700 ? C20 C21 . 1.518(4) ? O5 H5A . 0.8200 ? O5 C22 . 1.439(8) ? C22 H22A . 0.9700 ? C22 H22B . 0.9700 ? C22 C23 . 1.496(8) ? C23 H23A . 0.9600 ? C23 H23B . 0.9600 ? C23 H23C . 0.9600 ? O5A H5AA . 0.8200 ? O5A C22A . 1.420(8) ? C22A H22C . 0.9700 ? C22A H22D . 0.9700 ? C22A C23A . 1.470(8) ? C23A H23D . 0.9600 ? C23A H23E . 0.9600 ? C23A H23F . 0.9600 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag N2 H2 O4 3_666 0.90(3) 1.79(3) 2.686(3) 177(3) yes N1 H1 O3 2_645 0.853(10) 1.913(12) 2.751(3) 167(3) yes O5 H5A O4 3_566 0.82 1.97 2.692(10) 147.0 yes O5A H5AA O4 3_566 0.82 1.95 2.732(6) 160.3 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag O1 C6 C7 C2 . . . . 179.04(19) ? O1 C6 C7 C8 . . . . 0.8(4) ? O1 C17 C18 C19 . . . . -176.7(2) ? O2 C17 C18 C19 . . . . 4.3(5) ? N1 C1 C8 C7 . . . . 0.0(3) ? N1 C1 C8 C9 . . . . 170.6(2) ? N1 C2 C3 C4 . . . . 178.3(3) ? N1 C2 C7 C6 . . . . -179.8(2) ? N1 C2 C7 C8 . . . . -1.1(3) ? C1 N1 C2 C3 . . . . -177.5(3) ? C1 N1 C2 C7 . . . . 1.1(3) ? C1 C8 C9 C10 . . . . -82.3(3) ? C2 N1 C1 C8 . . . . -0.7(3) ? C2 C3 C4 C5 . . . . 1.0(4) ? C2 C7 C8 C1 . . . . 0.7(3) ? C2 C7 C8 C9 . . . . -169.4(2) ? C3 C2 C7 C6 . . . . -1.0(3) ? C3 C2 C7 C8 . . . . 177.7(2) ? C3 C4 C5 C6 . . . . -0.8(4) ? C4 C5 C6 O1 . . . . -178.1(2) ? C4 C5 C6 C7 . . . . -0.4(4) ? C5 C6 C7 C2 . . . . 1.2(3) ? C5 C6 C7 C8 . . . . -177.0(3) ? C6 O1 C17 O2 . . . . 0.6(4) ? C6 O1 C17 C18 . . . . -178.4(2) ? C6 C7 C8 C1 . . . . 179.0(3) ? C6 C7 C8 C9 . . . . 8.9(4) ? C7 C2 C3 C4 . . . . -0.1(4) ? C7 C8 C9 C10 . . . . 86.1(3) ? C8 C9 C10 N2 . . . . 180.0(2) ? C10 N2 C11 C12 . . . . -178.7(3) ? C10 N2 C11 C13 . . . . 57.7(3) ? C10 N2 C14 C15 . . . . 62.8(3) ? C10 N2 C14 C16 . . . . -63.1(3) ? C11 N2 C10 C9 . . . . -105.4(3) ? C11 N2 C14 C15 . . . . -64.3(3) ? C11 N2 C14 C16 . . . . 169.8(2) ? C14 N2 C10 C9 . . . . 126.3(2) ? C14 N2 C11 C12 . . . . -51.2(3) ? C14 N2 C11 C13 . . . . -174.8(2) ? C17 O1 C6 C5 . . . . -87.0(3) ? C17 O1 C6 C7 . . . . 95.2(3) ? C17 C18 C19 C20 . . . . 176.7(3) ? C18 C19 C20 C21 . . . . 172.6(3) ? C19 C20 C21 O3 . . . . -5.6(5) ? C19 C20 C21 O4 . . . . 175.3(3) ? _cod_database_fobs_code 2244175