#------------------------------------------------------------------------------ #$Date: 2023-01-06 11:25:10 +0200 (Fri, 06 Jan 2023) $ #$Revision: 280153 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/80/1568039.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1568039 loop_ _publ_author_name 'Liu, Sen' 'Li, Jun' 'Hou, Tianjiao' 'Shen, Xuan' _publ_section_title ; The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe3+ detection designed by a structure modulation strategy. ; _journal_issue 48 _journal_name_full 'Analytical methods : advancing methods and applications' _journal_page_first 5081 _journal_page_last 5090 _journal_paper_doi 10.1039/d2ay01780f _journal_volume 14 _journal_year 2022 _chemical_formula_moiety 'C22 H15 N' _chemical_formula_sum 'C22 H15 N' _chemical_formula_weight 293.35 _chemical_name_systematic 2-(pyren-1-yl)-5-methylpyridine _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 geom _atom_sites_solution_primary dual _audit_creation_date 2022-04-24 _audit_creation_method ; Olex2 1.5 (compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439) ; _audit_update_record ; 2022-05-30 deposited with the CCDC. 2022-11-14 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 100.988(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.626(3) _cell_length_b 7.6841(13) _cell_length_c 11.574(2) _cell_measurement_reflns_used 2173 _cell_measurement_temperature 296.15 _cell_measurement_theta_max 24.599 _cell_measurement_theta_min 2.354 _cell_volume 1538.8(5) _computing_cell_refinement 'SAINT v8.34A (Bruker, 2013)' _computing_data_reduction 'SAINT v8.34A (Bruker, 2013)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 296.15 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0448 _diffrn_reflns_av_unetI/netI 0.0351 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 10732 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 25.000 _diffrn_reflns_theta_min 1.177 _diffrn_source_current 25.0 _diffrn_source_power 1.125 _diffrn_source_voltage 45.0 _exptl_absorpt_coefficient_mu 0.073 _exptl_absorpt_correction_T_max 0.994 _exptl_absorpt_correction_T_min 0.988 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker, 2005)' _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.266 _exptl_crystal_description plate _exptl_crystal_F_000 616 _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.08 _refine_diff_density_max 0.185 _refine_diff_density_min -0.161 _refine_diff_density_rms 0.035 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.023 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 209 _refine_ls_number_reflns 2710 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.023 _refine_ls_R_factor_all 0.0791 _refine_ls_R_factor_gt 0.0468 _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^)+(0.0592P)^2^+0.1272P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1103 _refine_ls_wR_factor_ref 0.1234 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1764 _reflns_number_total 2710 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d2ay01780f2.cif _cod_data_source_block 14_CCDC1 _cod_depositor_comments 'Adding full bibliography for 1568038--1568039.cif.' _cod_original_cell_volume 1538.9(5) _cod_original_sg_symbol_H-M 'P 21/c ' _cod_database_code 1568039 _shelx_shelxl_version_number 2018/3 _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_max 0.994 _shelx_estimated_absorpt_t_min 0.988 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Rigid bond restraints C13, C14 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 3.a Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C11(H11), C12(H12), C14(H14), C15(H15), C18(H18), C19(H19), C21(H21) 3.b Idealised Me refined as rotating group: C22(H22A,H22B,H22C) ; _shelx_res_file ; TITL 14_a.res in P2(1)/c 14.res created by SHELXL-2018/3 at 16:08:25 on 24-Apr-2022 REM Old TITL 14 in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.179, Rweak 0.009, Alpha 0.027 REM 0.291 for 246 systematic absences, Orientation as input REM Formula found by SHELXT: C22 N CELL 0.71073 17.6263 7.6841 11.5741 90 100.988 90 ZERR 4 0.003 0.0013 0.002 0 0.002 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H N UNIT 88 60 4 EQIV $1 +X,0.5-Y,-0.5+Z EQIV $2 1-X,1-Y,1-Z DELU C13 C14 L.S. 50 PLAN 1 SIZE 0.16 0.14 0.08 TEMP 23 CONF HTAB C19 N1_$1 HTAB C21 N1_$2 BOND $H list 4 MORE -1 fmap 2 53 acta SHEL 999 0.84 OMIT 0 50 REM REM REM WGHT 0.059200 0.127200 FVAR 0.54105 N1 3 0.418211 0.394852 0.392964 11.00000 0.05662 0.06328 = 0.04682 -0.00597 0.01043 -0.00372 C1 1 0.076910 0.661367 0.693465 11.00000 0.06407 0.09286 = 0.07013 0.00337 0.02676 0.01157 AFIX 43 H1 2 0.033334 0.644194 0.726452 11.00000 -1.20000 AFIX 0 C2 1 0.117413 0.814515 0.714031 11.00000 0.07948 0.08517 = 0.07325 -0.01169 0.02853 0.01461 AFIX 43 H2 2 0.101324 0.899138 0.761529 11.00000 -1.20000 AFIX 0 C3 1 0.181325 0.844018 0.665289 11.00000 0.07814 0.06679 = 0.07104 -0.01408 0.02065 0.00156 AFIX 43 H3 2 0.207798 0.948854 0.679737 11.00000 -1.20000 AFIX 0 C4 1 0.207225 0.719080 0.594339 11.00000 0.05750 0.05491 = 0.05268 -0.00116 0.01119 0.00116 C5 1 0.272914 0.744648 0.540557 11.00000 0.06432 0.05095 = 0.07246 -0.00847 0.01977 -0.00816 AFIX 43 H5 2 0.299738 0.849322 0.552694 11.00000 -1.20000 AFIX 0 C6 1 0.297085 0.622752 0.473252 11.00000 0.05702 0.04915 = 0.06448 -0.00232 0.02076 -0.00509 AFIX 43 H6 2 0.339969 0.645698 0.439721 11.00000 -1.20000 AFIX 0 C7 1 0.258826 0.457473 0.451176 11.00000 0.04777 0.04642 = 0.04187 0.00361 0.00512 -0.00058 C8 1 0.191864 0.429442 0.501322 11.00000 0.04469 0.04899 = 0.04249 0.00695 0.00004 -0.00135 C9 1 0.166495 0.560111 0.573044 11.00000 0.04667 0.05513 = 0.04223 0.00763 0.00356 0.00530 C10 1 0.100221 0.531296 0.623819 11.00000 0.04929 0.07012 = 0.05691 0.01248 0.01057 0.00479 C11 1 0.060523 0.369248 0.601137 11.00000 0.05372 0.08335 = 0.08268 0.01222 0.02113 -0.00211 AFIX 43 H11 2 0.016981 0.349088 0.633662 11.00000 -1.20000 AFIX 0 C12 1 0.083895 0.245951 0.534825 11.00000 0.05518 0.06746 = 0.08590 0.01030 0.01128 -0.01539 AFIX 43 H12 2 0.056580 0.141900 0.522789 11.00000 -1.20000 AFIX 0 C13 1 0.150472 0.270398 0.481473 11.00000 0.04995 0.05419 = 0.05739 0.00512 0.00251 -0.00426 C14 1 0.175967 0.145523 0.411487 11.00000 0.06661 0.05443 = 0.07593 -0.00541 0.00635 -0.01753 AFIX 43 H14 2 0.149340 0.040764 0.397874 11.00000 -1.20000 AFIX 0 C15 1 0.239931 0.173159 0.361598 11.00000 0.06772 0.05548 = 0.06219 -0.01181 0.00853 -0.00507 AFIX 43 H15 2 0.255044 0.087137 0.314173 11.00000 -1.20000 AFIX 0 C16 1 0.282621 0.326890 0.380395 11.00000 0.05341 0.04768 = 0.04436 -0.00159 0.00332 -0.00031 C17 1 0.351437 0.346050 0.324436 11.00000 0.05661 0.04316 = 0.04404 -0.00345 0.00713 0.00431 C18 1 0.347375 0.310314 0.206202 11.00000 0.06484 0.06562 = 0.04965 -0.01362 0.00583 0.00373 AFIX 43 H18 2 0.300564 0.277849 0.159534 11.00000 -1.20000 AFIX 0 C19 1 0.412549 0.322841 0.157845 11.00000 0.08278 0.06978 = 0.04538 -0.01121 0.01731 0.00784 AFIX 43 H19 2 0.409827 0.298163 0.078497 11.00000 -1.20000 AFIX 0 C20 1 0.481892 0.371814 0.226462 11.00000 0.06912 0.04881 = 0.05680 -0.00562 0.02247 0.00343 C21 1 0.480597 0.405816 0.343544 11.00000 0.05826 0.06156 = 0.05624 -0.00638 0.01397 -0.00293 AFIX 43 H21 2 0.526826 0.438906 0.391565 11.00000 -1.20000 AFIX 0 C22 1 0.554980 0.386104 0.177836 11.00000 0.09445 0.08214 = 0.08989 -0.01594 0.04887 -0.00365 AFIX 137 H22A 2 0.564723 0.506117 0.162802 11.00000 -1.50000 H22B 2 0.549383 0.321281 0.105801 11.00000 -1.50000 H22C 2 0.597457 0.340030 0.233886 11.00000 -1.50000 AFIX 0 HKLF 4 REM 14_a.res in P2(1)/c REM wR2 = 0.1234, GooF = S = 1.023, Restrained GooF = 1.023 for all data REM R1 = 0.0468 for 1764 Fo > 4sig(Fo) and 0.0791 for all 2710 data REM 209 parameters refined using 1 restraints END WGHT 0.0592 0.1273 REM Highest difference peak 0.185, deepest hole -0.161, 1-sigma level 0.035 Q1 1 0.5987 0.4633 0.2482 11.00000 0.05 0.19 ; _shelx_res_checksum 14266 _shelx_hkl_file ; 0 0 1 -0.20 0.10 0 0 1 -0.10 0.10 0 0 -2 201.78 3.70 0 0 2 197.58 3.60 0 0 2 194.98 4.00 0 0 2 198.18 4.10 0 0 -3 0.00 0.20 0 0 3 0.20 0.20 0 0 3 -0.10 0.40 0 0 3 0.30 0.50 0 0 -4 474.95 8.60 0 0 4 453.95 9.30 0 0 4 453.15 9.10 0 0 5 0.10 0.50 0 0 5 -0.40 0.50 0 0 6 108.29 3.50 0 0 6 105.29 3.30 0 0 7 -0.20 0.80 0 0 7 0.00 0.80 0 0 8 -0.30 0.90 0 0 8 -0.20 0.90 0 0 9 -0.40 0.90 0 0 9 -0.20 1.10 0 0 10 16.80 2.10 0 0 10 17.80 2.20 0 0 11 -0.70 1.20 0 0 11 -1.60 1.10 0 0 12 -3.30 1.20 0 0 12 -2.00 1.40 0 0 13 -3.10 1.10 0 0 13 0.60 1.40 0 0 14 -0.80 1.50 0 0 14 1.90 1.80 0 1 14 -1.50 1.60 0 1 13 2.20 1.60 0 1 12 4.40 1.50 0 1 12 3.70 1.60 0 1 11 3.50 1.40 0 1 11 2.40 1.50 0 1 10 1.30 1.20 0 1 10 2.20 1.20 0 1 9 5.00 1.20 0 1 9 6.00 1.40 0 1 8 1.90 1.00 0 1 8 1.20 0.90 0 1 7 24.20 1.70 0 1 7 23.30 1.80 0 -1 -7 20.90 1.00 0 1 6 75.09 2.80 0 1 6 75.99 2.70 0 -1 -6 78.09 2.10 0 1 5 179.08 4.60 0 1 5 179.08 4.50 0 -1 -5 182.98 3.90 0 1 4 33.90 1.70 0 1 4 33.60 1.40 0 -1 -4 34.20 1.20 0 1 3 304.77 6.50 0 1 3 313.37 6.20 0 -1 -3 326.57 6.40 0 1 2 2064.49 37.30 0 1 2 2047.30 36.90 0 -1 -2 2109.39 38.00 0 1 1 2561.44 46.10 0 -1 -1 2569.94 46.20 0 -1 0 -1.70 0.20 0 -1 0 -1.60 0.40 0 -1 0 -1.70 0.30 0 -1 1 2415.46 43.40 0 -1 2 1978.90 33.80 0 -1 2 1693.53 33.90 0 -1 2 1963.00 34.30 0 -1 3 296.27 6.70 0 -1 3 317.57 6.30 0 -1 3 319.77 5.90 0 1 -4 33.80 0.90 0 -1 4 30.80 1.30 0 -1 4 32.60 1.70 0 1 -5 190.18 3.60 0 -1 5 182.58 4.40 0 -1 5 181.28 4.90 0 -1 6 75.29 2.60 0 -1 6 74.19 3.00 0 -1 7 19.20 1.90 0 -1 7 21.00 1.70 0 -1 8 1.40 1.00 0 -1 8 0.80 1.00 0 -1 9 7.00 1.30 0 -1 9 6.30 1.50 0 -1 10 2.40 1.10 0 -1 10 0.30 1.20 0 -1 11 3.80 1.40 0 -1 11 1.70 1.50 0 -1 12 6.40 2.00 0 -1 12 5.20 1.60 0 -1 13 2.70 1.60 0 -1 13 4.70 1.90 0 -1 14 -1.70 1.20 0 -1 14 -1.80 1.70 0 2 13 1.10 1.70 0 2 12 1.20 1.40 0 2 11 0.70 1.30 0 2 10 1.80 1.30 0 2 10 3.40 1.20 0 2 9 6.10 1.30 0 2 9 9.60 1.80 0 2 8 3.60 1.40 0 2 8 6.10 1.10 0 2 7 5.30 1.20 0 2 7 5.10 1.00 0 -2 -7 7.60 1.00 0 2 6 23.00 1.80 0 2 6 26.10 1.50 0 -2 -6 23.70 1.40 0 2 5 62.19 2.60 0 2 5 61.79 2.10 0 -2 -5 59.49 2.10 0 2 4 31.60 1.20 0 2 4 30.10 1.80 0 -2 -4 33.70 1.50 0 2 3 11.60 1.20 0 2 3 9.60 0.60 0 -2 -3 9.90 0.90 0 2 2 28.80 1.50 0 -2 -2 29.80 1.40 0 2 1 1492.35 27.00 0 2 1 1533.85 28.00 0 -2 -1 1472.75 27.20 0 -2 0 1599.94 28.80 0 -2 0 1561.54 29.30 0 -2 0 1622.84 29.10 0 -2 1 1473.95 27.10 0 -2 3 9.60 1.00 0 -2 3 13.10 0.80 0 -2 4 32.40 1.20 0 -2 4 30.20 1.70 0 -2 4 24.70 1.30 0 -2 5 58.79 2.60 0 -2 5 63.29 2.20 0 -2 5 59.89 1.80 0 2 -6 25.30 1.10 0 -2 6 21.10 1.90 0 -2 6 24.40 1.50 0 -2 7 5.30 1.30 0 -2 7 6.10 1.10 0 -2 8 2.00 1.00 0 -2 8 5.80 1.40 0 -2 9 5.30 1.20 0 -2 9 8.90 1.80 0 -2 10 4.80 1.50 0 -2 10 5.20 1.30 0 -2 11 -0.90 1.00 0 -2 11 1.80 1.40 0 -2 12 -0.60 1.30 0 -2 12 -1.40 1.10 0 -2 13 -1.40 1.40 0 -2 13 -0.70 1.30 0 3 13 4.60 1.90 0 3 12 5.00 1.80 0 3 11 17.70 2.60 0 3 10 14.80 2.10 0 3 9 5.80 1.60 0 3 8 -0.20 1.20 0 3 7 6.90 1.50 0 -3 -7 8.90 1.30 0 3 6 29.10 1.40 0 3 6 30.00 2.40 0 -3 -6 31.10 1.90 0 3 5 39.60 2.30 0 3 5 40.40 1.40 0 -3 -5 43.30 2.10 0 3 4 -0.40 0.20 0 3 4 0.50 0.80 0 -3 -4 -0.40 0.70 0 3 3 115.99 3.70 0 -3 -3 108.79 3.30 0 3 2 197.08 5.00 0 -3 -2 188.28 4.80 0 3 1 45.00 1.90 0 -3 -1 42.10 1.10 0 -3 -1 40.30 1.90 0 -3 0 -1.10 0.60 0 -3 0 0.00 0.30 0 -3 0 -0.50 0.40 0 -3 1 41.40 1.60 0 -3 1 40.30 1.60 0 -3 1 39.20 1.80 0 -3 2 110.29 3.10 0 -3 4 0.50 0.80 0 -3 4 0.30 0.50 0 -3 4 0.00 0.20 0 -3 5 45.60 2.40 0 -3 5 43.60 1.80 0 -3 6 28.20 2.10 0 -3 6 29.40 1.50 0 -3 7 7.90 1.20 0 -3 7 6.80 1.40 0 -3 8 0.30 1.10 0 -3 8 1.20 0.90 0 -3 9 1.40 1.30 0 -3 9 3.10 1.10 0 -3 10 16.90 1.90 0 -3 10 13.30 2.20 0 -3 11 15.90 2.00 0 -3 11 11.20 2.20 0 -3 12 5.10 1.90 0 -3 13 5.90 2.20 0 4 12 2.10 1.90 0 4 11 8.70 2.10 0 4 10 4.00 1.60 0 4 9 3.00 1.40 0 4 8 -2.30 1.00 0 -4 -8 0.40 0.90 0 4 7 2.60 1.60 0 -4 -7 2.50 1.10 0 4 6 11.70 1.80 0 -4 -6 10.70 1.60 0 4 5 4.00 1.30 0 -4 -5 3.10 1.10 0 4 4 102.29 3.80 0 -4 -4 107.89 3.70 0 -4 -3 100.89 3.60 0 4 2 327.37 7.90 0 -4 -2 298.07 7.30 0 4 1 1.90 0.90 0 -4 -1 1.70 0.40 0 -4 -1 1.10 0.90 0 -4 0 533.75 11.50 0 -4 0 534.45 10.40 0 -4 1 1.00 0.90 0 -4 1 1.60 0.70 0 -4 1 1.80 0.60 0 -4 2 282.67 6.90 0 -4 2 291.77 6.70 0 -4 3 102.19 3.40 0 -4 3 105.29 3.40 0 -4 4 106.19 3.70 0 -4 4 100.79 3.20 0 -4 5 3.50 1.00 0 -4 5 5.00 1.00 0 -4 5 2.90 1.00 0 -4 6 9.10 1.60 0 -4 6 10.90 1.30 0 -4 6 10.70 1.40 0 -4 7 6.30 1.60 0 -4 7 4.30 1.00 0 -4 8 0.10 0.60 0 -4 8 0.90 1.10 0 -4 9 2.00 1.50 0 -4 9 -0.40 0.50 0 -4 10 4.30 1.90 0 -4 10 -0.10 0.80 0 -4 11 7.40 2.00 0 -4 12 0.30 1.60 0 5 11 -1.10 1.70 0 5 10 1.90 1.80 0 5 9 1.90 1.60 0 5 8 -0.80 1.30 0 -5 -8 2.00 1.20 0 5 7 5.30 1.70 0 -5 -7 9.60 1.60 0 5 6 23.10 2.50 0 -5 -6 31.30 2.40 0 5 5 7.70 1.70 0 -5 -5 11.00 1.70 0 5 4 108.29 4.40 0 -5 -4 98.29 4.10 0 5 3 19.90 2.20 0 -5 -3 15.30 1.90 0 5 2 3.00 1.20 0 -5 -2 2.70 1.20 0 5 1 27.80 2.10 0 -5 -1 26.90 2.10 0 5 0 1.50 0.90 0 -5 0 0.20 0.50 0 -5 0 0.40 1.00 0 -5 1 28.40 1.80 0 -5 1 29.80 2.20 0 -5 1 29.10 1.60 0 -5 2 2.60 1.10 0 -5 2 4.20 1.00 0 -5 3 12.00 1.40 0 -5 3 15.40 1.60 0 -5 3 15.40 1.60 0 -5 4 99.09 3.70 0 -5 4 97.09 3.80 0 -5 4 95.39 3.40 0 -5 5 8.10 1.50 0 -5 5 8.20 1.50 0 -5 5 8.30 1.30 0 -5 6 25.40 2.00 0 -5 6 25.00 1.90 0 -5 6 24.30 2.50 0 -5 7 6.10 1.20 0 -5 7 8.80 1.70 0 -5 8 -1.40 1.30 0 -5 8 -0.50 1.20 0 -5 9 1.60 1.50 0 -5 10 1.90 1.70 0 -5 11 -0.60 1.40 0 6 10 0.50 1.90 0 6 9 0.50 1.60 0 6 8 4.30 1.90 0 -6 -8 3.20 1.40 0 6 7 0.70 1.70 0 -6 -7 -0.40 1.10 0 6 6 1.60 1.40 0 -6 -6 1.80 1.20 0 6 5 21.70 2.50 0 -6 -5 25.70 2.60 0 6 4 63.49 3.70 0 -6 -4 59.59 3.40 0 6 3 135.49 5.10 0 -6 -3 131.39 5.00 0 6 2 153.68 5.40 0 -6 -2 147.99 5.30 0 6 1 2.10 1.30 0 -6 -1 1.60 1.30 0 6 0 6.50 1.50 0 -6 0 6.10 1.60 0 -6 1 4.60 1.50 0 -6 2 137.39 4.90 0 -6 2 147.69 5.10 0 -6 3 131.49 4.30 0 -6 3 124.29 4.70 0 -6 3 128.19 4.30 0 -6 4 56.29 3.10 0 -6 4 49.30 2.60 0 -6 5 20.00 2.00 0 -6 5 19.30 2.10 0 -6 5 16.10 1.90 0 -6 6 1.30 1.20 0 -6 6 2.60 1.60 0 -6 7 1.20 1.30 0 -6 8 0.20 1.40 0 -6 9 3.10 1.60 0 -6 10 -3.00 1.40 0 7 9 2.80 1.90 0 7 8 1.90 1.70 0 -7 -8 0.40 1.30 0 7 7 0.80 1.60 0 -7 -7 1.70 1.50 0 7 6 3.20 1.60 0 -7 -6 1.00 1.30 0 7 5 5.40 1.80 0 -7 -5 4.30 1.60 0 7 4 -1.20 1.10 0 -7 -4 0.10 1.40 0 7 3 3.50 1.60 0 -7 -3 3.10 1.50 0 7 2 29.00 2.80 0 -7 -2 21.70 2.50 0 7 1 35.40 2.70 0 -7 -1 35.40 2.90 0 7 0 -2.40 1.10 0 -7 0 -2.20 1.30 0 7 -1 29.40 2.60 0 -7 1 29.30 2.80 0 -7 2 21.50 2.40 0 -7 3 5.10 1.50 0 -7 3 1.70 1.10 0 -7 4 0.50 1.20 0 -7 5 6.70 1.60 0 -7 6 0.10 1.20 0 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4.90 1 -4 3 11.00 1.30 1 -4 3 12.50 1.20 1 -4 3 10.10 1.20 1 -4 4 41.40 2.30 1 -4 4 34.60 1.80 1 -4 5 8.50 1.40 1 -4 5 8.80 1.30 1 -4 5 5.80 1.00 1 -4 6 11.40 1.80 1 -4 6 12.20 1.40 1 -4 6 11.60 1.30 1 -4 7 0.50 0.90 1 -4 7 -1.20 1.00 1 -4 8 7.00 1.30 1 -4 8 7.10 1.60 1 -4 9 1.60 1.40 1 -4 10 3.90 1.60 1 -4 11 -2.00 1.40 1 -4 12 3.30 1.80 -1 5 11 2.30 1.90 -1 5 10 0.00 1.70 -1 5 9 3.00 1.70 -1 5 8 1.00 1.40 1 -5 -8 1.40 1.20 -1 5 7 0.60 1.30 1 -5 -7 0.60 1.10 -1 5 6 -0.60 1.40 1 -5 -6 1.50 1.10 -1 5 5 7.00 1.70 1 -5 -5 5.70 1.50 -1 5 4 326.27 8.40 1 -5 -4 314.87 8.10 -1 5 3 6.10 1.50 1 -5 -3 5.90 1.40 -1 5 2 12.70 1.70 1 -5 -2 10.70 1.60 -1 5 1 4.20 1.10 1 -5 -1 5.00 1.30 -1 5 0 30.00 2.10 1 -5 0 27.90 1.40 1 -5 0 26.80 2.20 1 -5 1 55.59 2.70 1 -5 1 53.29 2.30 1 -5 1 54.19 2.20 1 -5 2 22.00 1.60 1 -5 2 23.20 2.10 1 -5 2 24.40 1.70 1 -5 3 45.20 2.50 1 -5 3 47.00 2.20 1 -5 4 68.79 2.80 1 -5 4 77.39 3.40 1 -5 4 74.59 3.20 1 -5 5 6.30 1.20 1 -5 5 7.00 1.40 1 -5 5 5.80 1.50 1 -5 6 113.19 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1.10 -4 -5 4 -0.80 0.90 -4 -5 4 1.10 0.90 -4 -5 4 -0.50 0.90 -4 -5 3 24.40 2.10 -4 -5 3 25.50 2.30 -4 -5 3 28.00 1.90 -4 -5 2 12.40 1.80 -4 -5 2 13.70 1.60 -4 -5 2 13.00 1.40 -4 -5 1 6.10 1.30 -4 -5 1 5.80 1.40 4 5 -1 5.50 0.90 -4 -5 0 0.90 1.10 -4 -5 0 0.10 0.80 4 5 0 1.00 0.60 -4 -5 -1 20.90 2.10 4 5 1 22.00 2.40 -4 -5 -2 0.90 1.10 4 5 2 0.30 1.10 -4 -5 -3 2.50 1.20 4 5 3 -0.90 1.20 -4 -5 -4 -1.00 1.20 4 5 4 1.30 1.50 -4 -5 -5 3.30 1.50 4 5 5 3.40 1.60 -4 -5 -6 191.88 6.20 4 5 6 196.48 6.70 -4 -5 -7 102.09 4.40 4 5 7 115.99 5.10 -4 -5 -8 15.30 2.40 4 5 8 11.30 2.40 4 5 9 1.90 1.70 4 5 10 2.50 2.00 -4 -4 13 -1.00 1.30 -4 -4 12 1.40 1.40 -4 -4 12 -0.60 1.30 -4 -4 11 5.80 1.60 -4 -4 11 9.60 2.10 -4 -4 10 19.40 2.20 -4 -4 10 15.20 2.30 -4 -4 9 1.30 1.00 -4 -4 9 2.00 1.40 -4 -4 8 10.60 1.70 -4 -4 8 8.80 1.70 -4 -4 7 0.80 1.20 -4 -4 7 1.10 0.90 -4 -4 6 30.00 1.90 -4 -4 6 28.50 2.10 -4 -4 6 28.50 2.30 -4 -4 5 3.10 1.00 -4 -4 5 2.00 1.00 -4 -4 5 3.60 1.00 -4 -4 4 16.90 1.70 -4 -4 4 16.30 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4.40 4 -4 2 51.09 2.50 4 -4 2 46.90 1.70 4 -4 2 47.90 2.30 4 -4 3 27.50 1.40 4 -4 3 34.80 2.20 -4 4 -4 3.00 1.10 4 -4 4 -0.30 0.90 4 -4 4 1.70 0.60 -4 4 -5 44.10 2.40 4 -4 5 43.50 2.70 -4 4 -6 47.40 2.50 4 -4 6 46.00 3.00 4 -4 7 208.88 6.80 4 -4 8 128.89 5.40 4 -4 9 23.80 2.80 4 -4 10 6.20 2.00 4 -4 11 -1.00 1.30 -4 5 11 6.00 2.00 -4 5 10 5.60 1.90 -4 5 9 8.30 1.90 -4 5 8 4.20 1.70 4 -5 -8 3.20 1.40 -4 5 7 1.00 1.20 4 -5 -7 -0.30 1.10 -4 5 6 2.90 1.40 4 -5 -6 5.10 1.50 -4 5 5 6.00 1.50 4 -5 -5 3.30 1.40 -4 5 4 2.20 1.30 4 -5 -4 1.60 1.30 -4 5 3 28.20 2.20 4 -5 -3 28.00 2.30 -4 5 2 14.00 1.60 4 -5 -2 14.40 1.80 -4 5 1 6.10 1.20 4 -5 -1 4.60 1.30 4 -5 -1 4.80 0.80 -4 5 0 2.10 0.90 4 -5 0 1.20 1.20 4 -5 0 1.70 0.80 -4 5 -1 26.30 1.80 4 -5 1 23.00 1.70 4 -5 1 20.00 2.00 4 -5 2 0.00 1.00 4 -5 2 0.10 0.80 4 -5 3 -1.10 1.10 4 -5 3 0.50 0.80 4 -5 4 -1.00 0.90 -4 5 -5 3.80 1.30 4 -5 5 2.00 1.40 -4 5 -6 201.58 5.90 4 -5 6 186.38 6.30 4 -5 7 106.29 4.80 4 -5 8 14.70 2.30 4 -5 9 3.40 1.80 4 -5 10 1.80 1.50 -4 6 10 2.30 2.00 -4 6 9 10.40 2.30 -4 6 8 4.00 1.60 4 -6 -8 3.90 1.60 -4 6 7 1.40 1.60 4 -6 -7 -0.40 1.30 -4 6 6 5.10 1.60 4 -6 -6 3.80 1.40 -4 6 5 0.30 1.30 4 -6 -5 1.20 1.20 -4 6 4 1.10 1.30 4 -6 -4 1.40 1.30 -4 6 3 6.30 1.50 4 -6 -3 3.40 1.50 -4 6 2 -1.00 1.00 4 -6 -2 0.30 1.30 -4 6 1 1.00 1.00 4 -6 -1 1.10 1.30 -4 6 0 16.60 1.80 4 -6 0 14.40 2.10 4 -6 1 19.90 2.30 4 -6 2 45.40 2.90 4 -6 2 45.40 2.60 4 -6 3 13.40 1.80 4 -6 3 11.10 1.90 4 -6 4 8.20 1.70 4 -6 4 5.60 1.50 -4 6 -5 11.20 1.90 4 -6 5 10.30 1.80 4 -6 6 11.80 2.10 4 -6 7 2.40 1.50 4 -6 8 54.89 3.80 4 -6 9 0.60 1.50 -4 7 9 0.30 1.80 -4 7 8 -0.50 1.60 4 -7 -8 -1.00 1.20 -4 7 7 0.10 1.60 4 -7 -7 0.10 1.30 -4 7 6 -0.40 1.30 4 -7 -6 2.50 1.50 -4 7 5 2.70 1.50 4 -7 -5 1.00 1.60 -4 7 4 2.90 1.50 4 -7 -4 2.50 1.60 -4 7 3 12.40 2.00 4 -7 -3 5.10 1.80 -4 7 2 8.90 1.70 4 -7 -2 8.00 1.80 4 -7 -1 0.20 1.30 4 -7 0 11.70 2.20 4 -7 1 5.50 1.70 4 -7 2 -0.90 1.20 4 -7 3 8.70 1.80 4 -7 4 0.50 1.40 4 -7 5 1.50 1.30 4 -7 6 -0.40 1.20 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-5 -8 -2 40.60 3.80 5 8 2 42.90 4.00 -5 -8 -3 48.80 3.80 5 8 3 42.10 4.00 -5 -8 -4 17.90 2.80 5 8 4 22.10 3.20 -5 -8 -5 1.50 1.70 5 8 5 3.80 2.00 -5 -8 -6 9.70 2.40 -5 -7 10 21.40 4.70 -5 -7 9 7.10 1.80 -5 -7 9 8.20 2.00 -5 -7 8 -1.00 1.20 -5 -7 8 -0.80 1.10 -5 -7 7 1.00 1.30 -5 -7 7 3.00 1.50 -5 -7 6 -0.10 1.10 -5 -7 6 -0.20 1.00 -5 -7 5 2.50 1.40 -5 -7 5 2.20 1.20 -5 -7 4 -0.90 0.80 -5 -7 4 -1.00 1.20 -5 -7 3 -0.90 1.10 -5 -7 3 -1.10 0.90 -5 -7 2 2.50 1.50 -5 -7 2 -0.10 1.00 -5 -7 1 15.60 2.30 -5 -7 1 10.10 1.80 -5 -7 0 10.60 2.00 5 7 0 9.40 1.90 -5 -7 -1 54.69 3.60 5 7 1 54.09 3.60 -5 -7 -2 54.09 3.60 5 7 2 54.09 3.60 -5 -7 -3 7.00 1.90 5 7 3 9.20 2.10 -5 -7 -4 2.20 1.50 5 7 4 3.20 1.70 -5 -7 -5 7.20 1.90 5 7 5 12.10 2.40 -5 -7 -6 -0.50 1.60 5 7 6 -0.50 1.50 -5 -7 -7 1.80 1.50 5 7 7 2.70 2.00 -5 -7 -8 -1.00 1.80 -5 -6 11 22.40 2.90 -5 -6 10 68.69 3.90 -5 -6 10 64.59 4.20 -5 -6 9 17.80 2.50 -5 -6 9 18.70 2.30 -5 -6 8 11.40 2.10 -5 -6 8 12.30 2.00 -5 -6 7 20.70 2.30 -5 -6 7 18.70 2.30 -5 -6 6 3.60 1.30 -5 -6 6 4.00 1.30 -5 -6 6 0.60 1.10 -5 -6 5 6.20 1.50 -5 -6 5 5.70 1.40 -5 -6 5 5.20 1.40 -5 -6 4 3.40 1.10 -5 -6 4 4.50 1.40 -5 -6 4 2.70 1.30 -5 -6 3 6.00 1.30 -5 -6 3 7.60 1.70 -5 -6 2 -0.10 1.10 -5 -6 2 1.10 1.00 -5 -6 1 1.10 1.30 -5 -6 1 2.70 1.20 -5 -6 0 1.80 1.30 -5 -6 -1 7.40 1.80 5 6 1 4.90 1.50 -5 -6 -2 1.80 1.40 5 6 2 1.70 1.30 -5 -6 -3 6.90 1.80 5 6 3 2.10 1.50 -5 -6 -4 1.70 1.30 5 6 4 0.00 1.30 -5 -6 -5 2.90 1.60 5 6 5 1.40 1.40 -5 -6 -6 17.50 2.40 5 6 6 14.40 2.50 -5 -6 -7 5.10 1.60 5 6 7 5.90 1.90 -5 -6 -8 4.00 1.80 5 6 8 2.10 1.80 5 6 9 0.80 1.70 -5 -5 12 -0.50 1.40 -5 -5 11 -0.30 1.10 -5 -5 11 -0.20 1.40 -5 -5 10 3.30 1.50 -5 -5 10 2.10 1.50 -5 -5 9 7.10 1.70 -5 -5 9 8.90 1.90 -5 -5 8 73.79 3.90 -5 -5 8 72.09 3.60 -5 -5 7 1.80 1.20 -5 -5 7 4.20 1.20 -5 -5 6 2.30 1.20 -5 -5 6 2.70 1.20 -5 -5 6 1.30 1.00 -5 -5 5 8.30 1.50 -5 -5 5 8.90 1.50 -5 -5 4 0.50 0.90 -5 -5 4 -0.90 1.00 -5 -5 4 0.10 1.00 -5 -5 3 4.00 1.30 -5 -5 3 5.10 1.30 -5 -5 3 1.50 0.90 -5 -5 2 9.50 1.50 -5 -5 2 11.90 1.60 5 5 -2 10.90 1.30 -5 -5 1 9.60 1.60 -5 -5 1 12.50 1.60 5 5 -1 7.00 1.00 -5 -5 0 -1.20 0.80 -5 -5 0 1.10 1.00 5 5 0 -0.30 0.50 -5 -5 -1 54.79 3.00 5 5 1 63.19 3.30 -5 -5 -2 0.10 1.20 5 5 2 -1.90 0.90 -5 -5 -3 7.60 1.60 5 5 3 4.90 1.50 -5 -5 -4 3.50 1.50 5 5 4 1.30 1.40 -5 -5 -5 -1.20 1.30 5 5 5 -0.50 1.20 -5 -5 -6 -0.70 1.00 5 5 6 -0.80 1.20 -5 -5 -7 2.60 1.50 5 5 7 2.80 1.70 5 5 8 24.50 2.90 5 5 9 5.40 1.90 5 5 10 -0.30 1.80 -5 -4 13 0.80 1.50 -5 -4 12 3.90 1.80 -5 -4 12 1.20 1.50 -5 -4 11 2.00 1.40 -5 -4 11 0.80 1.30 -5 -4 10 5.90 1.70 -5 -4 10 4.50 1.40 -5 -4 9 37.60 2.60 -5 -4 9 42.70 3.00 -5 -4 8 15.90 2.00 -5 -4 8 21.50 2.40 -5 -4 7 0.60 0.90 -5 -4 7 0.20 1.00 -5 -4 6 0.60 0.90 -5 -4 6 -0.30 0.90 -5 -4 6 1.40 0.90 -5 -4 5 7.50 1.30 -5 -4 5 8.90 1.50 -5 -4 5 10.00 1.30 -5 -4 4 37.70 2.10 -5 -4 4 41.00 2.20 -5 -4 4 36.30 2.20 -5 -4 3 11.50 1.40 -5 -4 3 8.30 1.20 -5 -4 3 13.20 1.40 -5 -4 2 10.90 1.30 -5 -4 2 9.40 1.30 5 4 -2 12.40 1.30 -5 -4 1 112.49 3.70 -5 -4 1 113.19 3.80 5 4 -1 119.89 3.50 -5 -4 0 8.80 1.30 -5 -4 0 9.00 1.20 5 4 0 8.00 1.00 -5 -4 -1 128.19 4.20 5 4 1 139.79 3.50 -5 -4 -2 48.30 2.50 5 4 2 52.39 2.80 5 4 2 51.89 1.80 -5 -4 -3 33.80 2.20 5 4 3 37.90 2.50 5 4 3 34.50 1.50 -5 -4 -4 4.10 1.30 5 4 4 6.50 1.50 -5 -4 -5 -1.30 0.80 5 4 5 1.00 1.20 -5 -4 -6 -0.50 1.00 5 4 6 0.30 1.30 -5 -4 -7 5.30 1.60 5 4 7 10.20 2.00 5 4 8 12.70 2.20 5 4 9 9.40 2.10 5 4 10 1.70 1.90 5 4 11 2.00 1.80 -5 -3 13 0.40 1.40 -5 -3 13 -1.00 1.40 -5 -3 12 1.30 1.40 -5 -3 12 -0.20 1.30 -5 -3 11 1.30 1.20 -5 -3 11 -0.30 1.20 -5 -3 10 2.40 1.30 -5 -3 10 0.30 1.20 -5 -3 9 4.80 1.40 -5 -3 9 3.30 1.10 -5 -3 8 13.60 1.80 -5 -3 8 11.50 1.90 -5 -3 7 12.90 1.60 -5 -3 7 9.60 1.60 -5 -3 6 3.10 1.00 -5 -3 6 3.50 1.10 -5 -3 6 3.50 0.80 -5 -3 5 9.10 1.10 -5 -3 5 9.90 1.30 -5 -3 5 9.60 1.30 -5 -3 4 13.40 1.40 -5 -3 4 14.60 1.50 -5 -3 4 12.90 1.20 -5 -3 3 14.30 1.30 -5 -3 3 10.80 1.20 -5 -3 3 10.50 1.20 -5 -3 2 132.19 3.80 -5 -3 2 134.09 3.80 5 3 -2 148.09 4.10 -5 -3 1 90.49 3.00 -5 -3 1 88.69 3.00 5 3 -1 97.79 3.00 -5 -3 0 350.06 7.90 -5 -3 0 346.37 7.80 5 3 0 366.26 7.70 -5 -3 -1 731.73 14.60 -5 -3 -1 707.23 14.60 5 3 1 780.62 15.00 -5 -3 -2 60.59 2.50 5 3 2 67.89 2.20 5 3 2 69.89 2.90 -5 -3 -3 11.60 1.30 5 3 3 13.50 1.10 5 3 3 14.30 1.70 -5 -3 -4 6.10 1.10 5 3 4 5.00 0.80 5 3 4 6.90 1.40 -5 -3 -5 -1.30 0.80 5 3 5 1.10 1.10 5 3 5 0.60 0.70 -5 -3 -6 39.00 2.30 5 3 6 44.80 2.20 5 3 6 41.10 2.80 -5 -3 -7 135.59 4.40 5 3 7 145.79 5.30 5 3 8 8.10 1.80 5 3 9 26.90 2.80 5 3 10 0.80 1.50 5 3 11 0.20 1.60 5 3 12 -0.30 1.60 -5 -2 14 2.00 1.70 -5 -2 13 -0.10 1.60 -5 -2 13 1.80 1.60 -5 -2 12 3.60 1.50 -5 -2 12 3.50 1.50 -5 -2 11 6.60 1.80 -5 -2 11 7.40 1.80 -5 -2 10 8.60 1.60 -5 -2 10 9.60 1.90 -5 -2 9 1.20 1.00 -5 -2 9 0.90 1.20 -5 -2 8 53.19 3.00 -5 -2 8 57.19 2.80 -5 -2 7 40.50 2.40 -5 -2 7 39.50 2.40 -5 -2 6 70.49 3.00 -5 -2 6 65.89 2.10 -5 -2 6 67.59 2.70 -5 -2 5 70.79 2.90 -5 -2 5 72.89 2.20 -5 -2 5 68.29 2.60 -5 -2 4 1.70 0.70 -5 -2 4 0.30 0.50 -5 -2 4 1.40 0.80 -5 -2 3 71.59 2.50 -5 -2 3 70.69 2.50 -5 -2 2 14.90 1.10 -5 -2 2 16.10 1.10 5 2 -2 16.50 1.20 -5 -2 1 10.10 1.00 -5 -2 1 8.90 1.00 5 2 -1 8.50 0.90 -5 -2 0 19.60 1.30 -5 -2 0 22.90 1.30 5 2 0 22.40 1.20 -5 -2 -1 353.36 7.60 -5 -2 -1 355.86 7.70 5 2 1 384.96 7.90 -5 -2 -2 284.97 6.50 5 2 2 323.07 6.80 5 2 2 314.57 7.40 -5 -2 -3 5.20 0.80 5 2 3 4.30 1.00 5 2 3 5.30 0.80 -5 -2 -4 752.72 15.00 5 2 4 770.62 15.20 5 2 4 775.42 15.90 -5 -2 -5 401.96 8.80 5 2 5 390.46 9.20 5 2 5 399.96 8.80 -5 -2 -6 70.59 2.80 5 2 6 73.29 2.90 5 2 6 75.69 3.30 -5 -2 -7 22.80 1.80 5 2 7 26.90 2.50 5 2 7 22.10 2.00 5 2 8 24.60 2.50 5 2 8 23.40 2.10 5 2 9 7.00 1.70 5 2 9 6.20 1.50 5 2 10 0.80 1.20 5 2 11 0.20 1.30 5 2 12 -0.70 1.50 5 2 13 5.70 2.00 -5 -1 14 10.30 2.30 -5 -1 14 10.60 2.40 -5 -1 13 9.00 2.20 -5 -1 13 12.50 2.30 -5 -1 12 4.40 1.60 -5 -1 12 2.40 1.50 -5 -1 11 20.60 2.40 -5 -1 11 18.20 2.50 -5 -1 10 19.50 2.20 -5 -1 10 20.60 2.30 -5 -1 9 11.20 1.80 -5 -1 9 11.90 1.70 -5 -1 8 8.10 1.40 -5 -1 8 6.80 1.30 -5 -1 7 8.40 1.30 -5 -1 7 7.50 1.30 -5 -1 6 60.19 2.70 -5 -1 6 58.09 2.40 -5 -1 6 60.99 1.80 -5 -1 5 99.89 3.40 -5 -1 5 103.69 3.20 -5 -1 5 100.09 2.60 -5 -1 4 0.10 0.40 -5 -1 4 0.10 0.60 -5 -1 4 -0.10 0.60 -5 -1 3 3.80 0.70 -5 -1 3 2.50 0.50 5 1 -3 3.00 0.70 -5 -1 2 23.90 1.20 -5 -1 2 24.80 1.20 5 1 -2 22.40 1.30 -5 -1 1 2.90 0.60 -5 -1 1 2.20 0.50 5 1 -1 2.30 0.60 -5 -1 0 0.50 0.40 -5 -1 0 0.40 0.50 5 1 0 0.50 0.40 -5 -1 -1 291.17 6.10 -5 -1 -1 289.57 6.30 5 1 1 293.57 6.30 -5 -1 -2 22.30 1.30 5 1 2 20.20 1.20 5 1 2 21.00 1.20 -5 -1 -3 776.02 15.00 5 1 3 812.42 15.80 5 1 3 808.52 15.90 -5 -1 -4 717.83 14.10 5 1 4 744.43 14.90 5 1 4 741.93 14.90 -5 -1 -5 159.78 4.10 5 1 5 162.68 4.50 5 1 5 156.68 4.50 -5 -1 -6 33.70 1.70 5 1 6 33.20 2.00 5 1 6 33.50 2.00 -5 -1 -7 51.49 2.20 5 1 7 47.90 2.60 5 1 7 51.69 2.80 5 1 8 63.69 3.10 5 1 8 59.49 3.20 5 1 9 25.20 2.30 5 1 9 33.70 2.90 5 1 10 12.40 1.90 5 1 10 10.50 1.80 5 1 11 -0.20 1.30 5 1 11 0.20 1.40 5 1 12 6.60 1.80 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1.20 1.20 10 3 7 4.80 1.70 10 3 8 5.40 1.80 10 3 9 7.40 2.00 10 3 10 -2.30 1.50 -10 -2 12 -0.90 1.10 -10 -2 11 0.60 1.20 -10 -2 10 8.00 1.70 10 2 -10 7.00 1.70 -10 -2 9 42.80 2.80 10 2 -9 47.50 3.30 -10 -2 8 134.59 4.80 10 2 -8 144.39 5.60 -10 -2 7 502.35 10.80 -10 -2 7 504.25 11.70 10 2 -7 545.45 13.20 -10 -2 6 115.79 4.20 -10 -2 6 119.79 3.80 10 2 -6 125.19 4.70 -10 -2 5 10.10 1.20 -10 -2 5 15.80 1.80 10 2 -5 13.40 1.70 -10 -2 4 11.40 1.50 -10 -2 4 10.20 1.40 10 2 -4 9.50 1.50 -10 -2 3 63.19 2.70 -10 -2 3 65.59 2.70 10 2 -3 68.69 3.10 -10 -2 2 4.20 1.00 -10 -2 2 2.40 0.80 10 2 -2 3.00 0.90 -10 -2 1 0.00 0.70 -10 -2 1 2.00 0.80 10 2 -1 0.20 0.70 -10 -2 0 2.70 0.90 -10 -2 0 1.90 0.90 10 2 0 1.80 0.90 -10 -2 -1 0.00 0.70 -10 -2 -1 -0.10 0.70 10 2 1 0.80 0.80 -10 -2 -2 -1.10 0.70 10 2 2 -0.50 0.70 10 2 2 -0.70 0.90 -10 -2 -3 4.40 1.20 10 2 3 6.10 1.20 10 2 3 5.90 1.40 -10 -2 -4 7.70 1.50 10 2 4 6.20 1.50 10 2 4 3.70 1.10 -10 -2 -5 10.40 1.50 10 2 5 14.80 1.90 10 2 5 13.50 1.70 -10 -2 -6 0.70 0.90 10 2 6 -0.70 1.00 10 2 6 2.20 1.30 -10 -2 -7 -0.10 1.00 10 2 7 -1.20 1.00 10 2 7 0.20 1.10 10 2 8 0.90 1.10 10 2 8 0.60 1.30 -10 -1 13 3.10 1.70 10 1 -13 2.30 1.80 -10 -1 12 1.00 1.20 10 1 -12 2.10 1.50 -10 -1 11 -0.60 1.20 10 1 -11 2.30 1.40 -10 -1 10 13.60 2.10 10 1 -10 10.50 1.90 -10 -1 9 104.39 4.40 10 1 -9 112.49 4.80 -10 -1 8 187.28 5.80 10 1 -8 195.98 6.50 -10 -1 7 128.29 4.40 -10 -1 7 126.59 3.90 10 1 -7 142.49 5.20 -10 -1 6 0.50 0.90 -10 -1 6 1.90 0.90 10 1 -6 2.50 1.20 -10 -1 5 3.00 1.00 -10 -1 5 0.30 0.40 10 1 -5 2.20 1.00 -10 -1 4 30.60 1.80 -10 -1 4 34.10 2.00 10 1 -4 37.60 2.30 -10 -1 3 72.69 2.90 -10 -1 3 71.79 2.70 10 1 -3 76.39 3.10 -10 -1 2 6.40 1.10 -10 -1 2 6.40 1.00 10 1 -2 6.90 1.10 -10 -1 1 20.00 1.50 -10 -1 1 21.90 1.60 10 1 -1 16.50 1.60 -10 -1 0 17.10 1.60 -10 -1 0 16.10 1.30 10 1 0 19.40 1.70 -10 -1 -1 23.80 1.90 -10 -1 -1 22.90 1.50 10 1 1 20.30 1.80 -10 -1 -2 9.80 1.40 10 1 2 10.70 1.30 10 1 2 8.70 1.40 -10 -1 -3 13.70 1.60 10 1 3 17.60 1.70 10 1 3 13.60 1.60 -10 -1 -4 -0.90 0.80 10 1 4 -0.50 0.90 10 1 4 -0.20 0.90 -10 -1 -5 11.30 1.60 10 1 5 10.40 1.60 10 1 5 9.20 1.50 -10 -1 -6 43.70 2.50 10 1 6 43.50 2.90 10 1 6 43.80 2.60 -10 -1 -7 2.50 1.10 10 1 7 5.80 1.50 10 1 8 13.90 2.10 10 1 9 2.20 1.40 10 1 10 0.50 1.50 10 1 11 1.10 1.90 10 0 -14 -2.80 1.40 -10 0 13 -0.20 1.50 10 0 -13 0.80 1.50 -10 0 12 2.50 1.40 10 0 -12 2.40 1.50 -10 0 11 -1.10 1.20 10 0 -11 -0.40 1.20 -10 0 10 2.30 1.40 10 0 -10 0.00 1.00 -10 0 9 0.90 1.10 10 0 -9 0.60 1.10 -10 0 8 110.19 4.20 10 0 -8 112.99 4.60 -10 0 7 1.70 0.90 -10 0 7 -0.90 1.00 10 0 -7 1.60 1.00 -10 0 6 40.40 2.20 -10 0 6 43.00 2.50 10 0 -6 45.60 2.60 -10 0 5 0.70 0.80 -10 0 5 0.30 0.70 10 0 -5 0.70 0.70 -10 0 4 24.00 1.80 -10 0 4 22.80 1.50 10 0 -4 24.50 1.90 -10 0 3 0.60 0.80 -10 0 3 -0.60 0.60 10 0 -3 -0.10 0.60 -10 0 2 4.00 0.80 -10 0 2 4.30 1.00 10 0 -2 1.50 0.80 -10 0 1 0.10 0.50 -10 0 1 1.10 0.80 10 0 -1 0.30 0.70 -10 0 0 10.00 1.40 -10 0 0 14.20 1.10 10 0 0 10.30 1.30 -10 0 -1 -0.20 0.50 -10 0 -1 0.10 0.90 10 0 1 -0.80 0.60 -10 0 -2 40.50 2.20 10 0 2 40.40 1.80 10 0 2 39.60 2.40 -10 0 -3 -0.50 0.90 10 0 3 0.80 0.70 10 0 3 -1.10 0.80 -10 0 -4 1.90 1.10 10 0 4 0.00 0.80 10 0 4 -0.10 0.90 -10 0 -5 0.00 0.90 10 0 5 1.30 1.10 -10 0 -6 9.70 1.50 10 0 6 11.60 1.80 10 0 7 -1.80 0.90 10 0 8 29.00 2.90 10 0 9 -0.90 1.30 10 0 10 2.10 1.60 10 0 11 1.40 1.70 -10 1 13 2.40 1.80 -10 1 12 2.10 1.50 10 -1 -12 3.90 1.60 -10 1 11 -0.70 1.20 10 -1 -11 1.70 1.30 -10 1 10 11.80 2.00 10 -1 -10 9.60 1.80 -10 1 9 114.89 4.50 10 -1 -9 107.99 4.60 -10 1 8 185.88 5.80 10 -1 -8 191.08 6.10 -10 1 7 134.79 4.20 -10 1 7 135.29 4.50 10 -1 -7 131.29 4.70 -10 1 6 0.90 1.10 -10 1 6 1.90 1.00 10 -1 -6 4.20 1.10 -10 1 5 3.20 1.00 -10 1 5 3.60 1.00 10 -1 -5 3.90 1.00 -10 1 4 31.80 1.80 -10 1 4 36.20 2.10 10 -1 -4 32.40 2.00 -10 1 3 73.49 2.90 -10 1 3 69.39 2.40 10 -1 -3 73.49 2.90 -10 1 2 7.10 1.20 -10 1 2 9.60 1.00 10 -1 -2 6.90 1.20 -10 1 1 19.20 1.80 -10 1 1 20.00 1.10 10 -1 -1 18.20 1.60 -10 1 0 15.20 1.00 -10 1 0 15.10 1.60 10 -1 0 17.60 1.70 -10 1 -1 20.80 1.90 10 -1 1 21.60 1.10 10 -1 1 21.80 1.80 -10 1 -2 7.90 1.30 10 -1 2 9.30 1.40 -10 1 -3 11.10 1.50 10 -1 3 14.10 1.80 -10 1 -4 -0.80 1.00 10 -1 4 0.50 1.00 -10 1 -5 10.30 1.60 10 -1 5 10.70 1.80 -10 1 -6 39.10 2.40 10 -1 6 35.80 2.80 10 -1 7 7.40 1.80 10 -1 8 17.80 2.50 10 -1 9 -1.10 1.40 10 -1 10 4.10 1.90 10 -1 11 0.10 1.70 -10 2 13 3.70 2.00 -10 2 12 -0.80 1.40 -10 2 11 1.20 1.50 -10 2 10 6.30 1.60 10 -2 -10 4.40 1.20 -10 2 9 48.30 3.10 10 -2 -9 36.50 2.50 -10 2 8 138.09 4.80 10 -2 -8 152.08 5.20 -10 2 7 528.95 11.90 -10 2 7 541.25 11.70 10 -2 -7 524.25 11.90 -10 2 6 114.19 3.90 -10 2 6 122.69 4.00 10 -2 -6 119.09 4.10 -10 2 5 15.80 1.70 -10 2 5 15.80 1.50 10 -2 -5 15.40 1.60 -10 2 4 10.80 1.20 -10 2 4 10.10 1.40 10 -2 -4 9.40 1.20 -10 2 3 63.59 2.30 -10 2 3 68.49 3.00 10 -2 -3 61.99 2.60 -10 2 2 4.90 1.30 -10 2 2 3.00 0.60 10 -2 -2 2.20 0.80 -10 2 1 1.30 0.90 -10 2 1 0.70 0.40 10 -2 -1 0.40 0.70 -10 2 0 1.80 1.00 10 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-3 5 1.20 1.10 -10 3 -6 -0.20 1.20 10 -3 6 -0.50 1.10 10 -3 7 0.60 1.30 10 -3 8 3.30 1.60 10 -3 9 -1.00 1.40 10 -3 10 1.30 2.20 -10 4 12 0.40 1.70 -10 4 11 7.60 2.10 -10 4 10 2.60 1.50 -10 4 9 1.40 1.50 -10 4 7 6.00 1.60 -10 4 7 3.40 1.30 -10 4 6 5.10 1.50 -10 4 6 7.70 1.50 -10 4 5 69.79 3.00 -10 4 5 69.09 3.50 10 -4 -5 68.99 4.40 -10 4 4 122.59 3.80 -10 4 4 118.09 4.60 10 -4 -4 110.39 3.70 -10 4 3 97.69 4.20 10 -4 -3 105.19 3.70 -10 4 2 14.90 2.10 10 -4 -2 18.20 1.70 -10 4 1 5.40 1.70 10 -4 -1 8.10 1.40 -10 4 0 -0.30 1.30 10 -4 0 0.40 0.90 -10 4 -1 2.40 1.40 10 -4 1 1.40 1.10 -10 4 -2 21.00 2.30 10 -4 2 20.70 2.20 -10 4 -3 7.50 1.70 10 -4 3 7.00 1.50 -10 4 -4 6.10 1.70 10 -4 4 6.10 1.60 -10 4 -5 11.60 1.90 10 -4 5 8.40 1.80 -10 4 -6 0.80 1.30 10 -4 6 -0.30 1.20 10 -4 7 -1.10 1.20 10 -4 8 1.20 1.80 10 -4 9 -2.20 1.70 -10 5 11 -2.50 1.50 -10 5 10 -1.10 1.30 -10 5 9 1.90 1.50 -10 5 8 1.10 1.40 -10 5 8 0.00 1.30 -10 5 7 48.60 3.40 -10 5 7 52.49 3.10 -10 5 6 104.79 4.50 -10 5 6 95.79 4.50 -10 5 5 36.00 3.10 -10 5 4 24.10 2.60 -10 5 3 4.00 1.60 -10 5 2 -0.20 1.30 10 -5 -2 0.60 1.00 -10 5 1 9.40 1.90 10 -5 -1 8.70 1.40 -10 5 0 -1.30 1.30 10 -5 0 -0.10 0.40 -10 5 -1 1.50 1.40 10 -5 1 3.20 1.20 -10 5 -2 -1.10 1.30 10 -5 2 -0.60 1.00 -10 5 -3 72.39 3.90 10 -5 3 63.99 3.50 -10 5 -4 10.30 1.90 10 -5 4 12.40 1.90 -10 5 -5 13.80 2.20 10 -5 5 11.50 2.10 10 -5 6 3.30 1.60 10 -5 7 -0.70 1.40 10 -5 8 -2.20 1.50 -10 6 10 0.60 1.60 -10 6 9 -0.90 1.60 -10 6 8 1.30 1.60 -10 6 7 3.10 1.60 -10 6 6 3.40 1.60 -10 6 5 9.20 2.00 -10 6 4 17.80 2.40 -10 6 3 1.40 1.60 -10 6 2 5.70 1.90 -10 6 1 0.60 1.40 -10 6 0 6.00 1.80 -10 6 -1 6.80 1.90 10 -6 1 5.40 2.40 -10 6 -2 3.70 1.70 10 -6 2 2.50 1.20 -10 6 -3 -0.80 1.60 10 -6 3 -0.80 1.00 -10 6 -4 10.70 2.20 10 -6 4 16.10 2.30 -10 6 -5 5.10 1.80 10 -6 5 9.30 2.10 10 -6 6 0.20 1.30 10 -6 7 -1.20 1.50 -10 7 8 4.40 2.10 -10 7 7 0.60 1.70 -10 7 6 12.00 2.20 -10 7 5 1.10 1.50 -10 7 4 -1.50 1.20 -10 7 3 1.90 1.70 -10 7 2 12.30 2.30 -10 7 1 -0.70 1.50 -10 7 0 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32.90 2.90 -11 -5 1 33.00 2.60 11 5 -1 34.90 2.30 -11 -5 0 -0.50 1.20 -11 -5 0 -0.20 1.00 11 5 0 0.00 0.80 -11 -5 -1 0.80 1.20 11 5 1 0.20 1.10 -11 -5 -2 8.10 1.70 11 5 2 7.60 1.90 -11 -5 -3 20.90 2.40 11 5 3 26.10 2.90 -11 -5 -4 5.40 1.60 11 5 4 10.70 2.10 -11 -5 -5 15.20 2.30 11 5 5 19.00 2.70 -11 -5 -6 1.40 1.30 11 5 6 3.40 1.80 -11 -5 -7 1.00 1.50 11 5 7 1.80 1.80 11 5 8 4.60 1.90 -11 -4 11 0.50 1.40 11 4 -11 -1.20 1.30 -11 -4 10 0.00 1.30 11 4 -10 -0.70 1.20 -11 -4 9 1.10 1.30 11 4 -9 0.60 1.30 -11 -4 8 25.40 2.70 11 4 -8 24.90 2.80 -11 -4 7 10.80 1.90 11 4 -7 11.90 2.00 -11 -4 6 16.30 2.10 11 4 -6 17.90 2.30 -11 -4 5 1.00 1.10 -11 -4 5 -1.30 0.90 11 4 -5 0.10 1.00 -11 -4 4 19.20 2.20 -11 -4 4 22.50 2.30 11 4 -4 17.40 2.10 -11 -4 3 49.20 2.80 -11 -4 3 45.70 2.90 11 4 -3 53.99 3.10 -11 -4 2 43.10 2.80 -11 -4 2 48.50 3.00 11 4 -2 48.80 2.70 -11 -4 1 -0.70 0.90 -11 -4 1 -1.20 1.10 11 4 -1 0.20 0.80 -11 -4 0 6.20 1.40 -11 -4 0 4.40 1.30 11 4 0 8.00 1.40 -11 -4 -1 2.80 1.20 -11 -4 -1 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8.70 1.40 -11 -2 -1 11.00 1.50 11 2 1 11.70 1.50 -11 -2 -2 7.30 1.50 11 2 2 5.20 1.20 11 2 2 5.30 1.30 -11 -2 -3 10.90 1.60 11 2 3 10.40 1.60 11 2 3 10.60 1.60 -11 -2 -4 -0.40 1.00 11 2 4 -0.30 1.00 11 2 4 1.60 0.90 -11 -2 -5 1.20 1.10 11 2 5 3.30 1.10 11 2 5 1.80 0.70 -11 -2 -6 1.40 1.10 11 2 6 -0.10 0.60 11 2 6 2.30 1.10 -11 -2 -7 1.30 1.10 11 2 7 -1.10 1.10 11 2 7 2.10 0.90 11 2 8 2.50 1.30 11 1 -13 0.00 1.30 -11 -1 12 0.60 1.20 11 1 -12 0.40 1.40 -11 -1 11 0.00 1.40 11 1 -11 3.80 1.60 -11 -1 10 21.90 2.50 11 1 -10 23.10 2.70 -11 -1 9 -1.00 1.10 11 1 -9 1.80 1.30 -11 -1 8 1.50 1.10 11 1 -8 1.50 1.10 -11 -1 7 -0.40 1.10 -11 -1 7 -1.10 0.70 11 1 -7 0.10 1.00 -11 -1 6 2.90 1.00 -11 -1 6 4.20 1.20 11 1 -6 3.70 1.20 -11 -1 5 5.50 1.30 -11 -1 5 6.50 1.20 11 1 -5 4.10 1.20 -11 -1 4 1.30 0.80 -11 -1 4 1.70 1.00 11 1 -4 2.10 0.90 -11 -1 3 10.70 1.40 -11 -1 3 10.80 1.40 11 1 -3 10.90 1.40 -11 -1 2 0.00 0.70 -11 -1 2 -0.30 0.70 11 1 -2 0.50 0.80 -11 -1 1 4.10 1.00 -11 -1 1 2.70 1.00 11 1 -1 3.60 1.00 -11 -1 0 198.48 5.10 -11 -1 0 197.88 5.60 11 1 0 203.18 5.80 -11 -1 -1 84.19 2.90 -11 -1 -1 85.49 3.50 11 1 1 83.09 3.40 -11 -1 -2 119.59 4.20 11 1 2 119.99 4.30 11 1 2 122.79 3.90 -11 -1 -3 -0.70 1.00 11 1 3 0.70 1.00 11 1 3 0.80 0.90 -11 -1 -4 3.10 1.20 11 1 4 1.40 1.10 11 1 4 0.80 0.90 -11 -1 -5 3.90 1.30 11 1 5 3.30 1.20 11 1 5 3.50 1.20 -11 -1 -6 1.60 1.10 11 1 6 0.80 1.10 -11 -1 -7 1.60 1.30 11 1 7 1.40 1.40 11 1 8 0.50 1.20 11 1 9 0.30 1.30 11 1 10 -0.70 1.60 11 0 -14 1.90 2.20 -11 0 13 -1.90 1.40 11 0 -13 1.80 1.50 -11 0 12 0.70 1.40 11 0 -12 2.60 1.50 -11 0 11 -1.70 1.10 11 0 -11 -2.20 1.00 -11 0 10 2.20 1.50 11 0 -10 2.90 1.30 -11 0 9 0.00 1.10 11 0 -9 0.50 1.00 -11 0 8 86.39 3.70 11 0 -8 86.89 4.00 -11 0 7 -1.10 0.80 -11 0 7 0.50 1.10 11 0 -7 1.10 1.00 -11 0 6 13.10 1.70 -11 0 6 13.70 1.60 11 0 -6 16.50 1.90 -11 0 5 -0.20 0.90 -11 0 5 0.80 0.80 11 0 -5 0.40 0.90 -11 0 4 1.80 0.90 -11 0 4 3.10 1.00 11 0 -4 1.70 0.90 -11 0 3 -0.90 0.70 -11 0 3 0.20 0.70 11 0 -3 0.10 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11.10 1.10 11 -1 -3 9.70 1.30 -11 1 2 0.60 0.60 -11 1 2 -1.20 0.80 11 -1 -2 0.50 0.70 -11 1 1 3.70 0.70 -11 1 1 5.80 1.20 11 -1 -1 3.00 0.90 -11 1 0 197.28 4.40 -11 1 0 195.98 5.60 11 -1 0 196.58 5.60 -11 1 -1 79.79 3.40 11 -1 1 78.19 3.30 -11 1 -2 121.89 4.30 11 -1 2 121.69 4.40 -11 1 -3 0.00 1.10 11 -1 3 1.30 1.10 -11 1 -4 -0.10 1.00 11 -1 4 0.50 1.00 -11 1 -5 5.40 1.30 11 -1 5 3.30 1.30 -11 1 -6 1.50 1.10 11 -1 6 -0.20 1.10 11 -1 7 0.60 1.30 11 -1 8 -0.50 1.30 11 -1 9 -2.40 1.10 11 -1 10 1.20 1.50 -11 2 12 2.50 1.50 -11 2 11 3.30 1.60 -11 2 10 3.20 1.40 11 -2 -10 2.60 1.20 -11 2 9 10.60 1.80 11 -2 -9 10.20 1.70 -11 2 8 11.30 1.70 11 -2 -8 15.20 1.90 -11 2 7 17.00 1.90 -11 2 7 13.30 1.80 11 -2 -7 12.50 1.60 -11 2 6 2.10 1.10 -11 2 6 2.60 1.30 11 -2 -6 0.50 0.80 -11 2 5 4.70 1.40 -11 2 5 3.90 1.10 11 -2 -5 5.00 1.20 -11 2 4 7.70 1.50 -11 2 4 6.90 1.10 11 -2 -4 4.80 1.10 -11 2 3 26.50 1.60 -11 2 3 30.20 2.20 11 -2 -3 23.10 2.00 -11 2 2 0.40 1.00 -11 2 2 -0.20 0.50 11 -2 -2 1.20 0.80 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6.80 1.90 12 6 5 8.70 2.20 -12 -6 -6 0.20 1.70 12 6 6 5.00 2.40 -12 -6 -7 2.20 1.90 -12 -5 10 -2.20 1.40 12 5 -10 -0.50 1.50 -12 -5 9 -0.30 1.30 12 5 -9 1.00 1.40 -12 -5 8 0.40 1.20 12 5 -8 1.10 1.50 -12 -5 7 6.20 1.80 12 5 -7 5.20 1.60 -12 -5 6 1.70 1.30 -12 -5 6 1.20 1.40 12 5 -6 0.40 1.20 -12 -5 5 20.00 2.20 -12 -5 5 17.40 2.30 12 5 -5 15.40 2.20 -12 -5 4 1.70 1.40 -12 -5 4 5.80 1.40 12 5 -4 3.40 1.30 -12 -5 3 35.40 2.70 -12 -5 3 37.00 2.90 12 5 -3 30.50 2.40 -12 -5 2 1.90 1.30 -12 -5 2 4.00 1.40 12 5 -2 2.80 1.20 -12 -5 1 41.30 3.00 -12 -5 1 39.70 2.90 12 5 -1 36.80 2.40 -12 -5 0 6.20 1.50 -12 -5 0 3.10 1.40 12 5 0 1.70 1.30 -12 -5 -1 2.70 1.40 12 5 1 3.70 1.50 -12 -5 -2 -1.20 1.20 12 5 2 2.80 1.40 -12 -5 -3 1.90 1.50 12 5 3 4.50 1.70 -12 -5 -4 1.10 1.30 12 5 4 2.40 1.50 -12 -5 -5 2.50 1.60 12 5 5 5.20 1.80 -12 -5 -6 4.00 1.50 12 5 6 1.70 1.50 -12 -5 -7 0.20 1.50 12 5 7 2.40 1.90 12 5 8 2.00 1.90 -12 -4 11 1.80 1.70 12 4 -11 3.90 1.90 -12 -4 10 0.70 1.40 12 4 -10 -1.10 1.30 -12 -4 9 2.70 1.40 12 4 -9 6.00 2.00 -12 -4 8 10.60 2.00 12 4 -8 10.60 2.00 -12 -4 7 33.20 3.10 12 4 -7 42.50 3.20 -12 -4 6 25.60 2.40 -12 -4 6 26.80 2.70 12 4 -6 28.90 2.80 -12 -4 5 12.10 1.90 -12 -4 5 10.50 1.70 12 4 -5 9.30 1.80 -12 -4 4 42.80 2.70 -12 -4 4 40.70 2.90 12 4 -4 44.90 3.10 -12 -4 3 348.07 9.10 -12 -4 3 330.47 8.80 12 4 -3 355.06 9.30 -12 -4 2 88.19 3.90 -12 -4 2 82.39 3.80 12 4 -2 92.79 4.00 -12 -4 1 7.90 1.60 -12 -4 1 4.40 1.30 12 4 -1 7.10 1.50 -12 -4 0 -0.80 0.90 -12 -4 0 0.90 1.20 12 4 0 0.90 1.00 -12 -4 -1 0.50 1.00 12 4 1 1.00 0.90 -12 -4 -2 1.90 1.20 12 4 2 1.20 1.20 12 4 2 2.20 1.00 -12 -4 -3 0.30 1.20 12 4 3 2.10 1.40 12 4 3 -0.30 1.60 -12 -4 -4 14.00 2.20 12 4 4 13.10 2.20 -12 -4 -5 0.50 1.30 12 4 5 2.30 1.60 -12 -4 -6 1.80 1.50 12 4 6 1.70 1.60 -12 -4 -7 1.20 1.40 12 4 7 1.10 1.60 12 4 8 0.20 1.80 12 4 9 2.50 2.10 -12 -3 11 1.10 1.50 12 3 -11 1.10 1.60 -12 -3 10 2.90 1.40 12 3 -10 0.30 1.30 -12 -3 9 6.10 1.80 12 3 -9 3.20 1.50 -12 -3 8 0.40 1.10 12 3 -8 -0.30 1.00 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12 2 -8 1.50 1.40 -12 -2 7 20.30 1.90 -12 -2 7 18.50 2.20 12 2 -7 16.30 2.10 12 2 -6 225.68 7.10 -12 -2 5 146.79 4.90 -12 -2 5 149.39 4.70 12 2 -5 166.18 5.80 -12 -2 4 37.20 2.50 -12 -2 4 40.40 2.40 12 2 -4 43.60 2.70 -12 -2 3 12.60 1.70 -12 -2 3 7.90 1.50 12 2 -3 9.90 1.60 -12 -2 2 4.00 1.20 -12 -2 2 5.20 1.30 12 2 -2 2.80 1.10 -12 -2 1 48.60 2.70 -12 -2 1 54.99 2.60 12 2 -1 51.59 2.80 -12 -2 0 1.40 1.00 -12 -2 0 1.60 1.10 12 2 0 1.30 0.90 -12 -2 -1 -0.30 1.00 -12 -2 -1 0.80 1.00 12 2 1 1.20 1.00 -12 -2 -2 1.40 1.10 12 2 2 2.10 1.10 12 2 2 1.30 0.80 -12 -2 -3 3.90 1.20 12 2 3 0.90 0.40 12 2 3 1.90 1.10 -12 -2 -4 0.60 1.00 12 2 4 0.80 0.70 12 2 4 0.10 1.00 -12 -2 -5 2.10 1.10 12 2 5 2.60 1.30 12 2 5 4.60 1.30 -12 -2 -6 1.60 1.20 12 2 6 -1.40 1.20 12 2 6 0.10 1.10 -12 -2 -7 -1.10 1.00 12 2 7 -1.40 1.00 12 2 8 -0.50 1.30 12 1 -13 2.90 1.70 -12 -1 12 0.90 1.40 12 1 -12 3.80 1.70 -12 -1 11 -0.20 1.10 12 1 -11 1.50 1.50 -12 -1 10 0.60 1.40 12 1 -10 0.60 1.30 -12 -1 9 1.00 1.10 12 1 -9 3.00 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12 0 -9 -0.30 1.00 -12 0 8 4.30 1.50 12 0 -8 4.10 1.30 -12 0 7 1.00 0.90 -12 0 7 -0.20 0.90 12 0 -7 -1.40 0.80 -12 0 6 1.90 1.00 -12 0 6 0.10 0.70 12 0 -6 -0.30 0.90 -12 0 5 -0.70 0.90 -12 0 5 -0.70 0.90 12 0 -5 -0.80 0.70 -12 0 4 24.90 2.00 -12 0 4 25.10 1.90 12 0 -4 28.60 2.10 -12 0 3 0.40 1.00 -12 0 3 -0.70 0.70 12 0 -3 -0.50 0.70 -12 0 2 -0.30 0.60 -12 0 2 0.00 0.90 12 0 -2 1.10 0.90 -12 0 1 0.60 1.00 -12 0 1 -0.80 0.60 12 0 -1 -0.10 0.80 -12 0 0 173.48 5.30 -12 0 0 174.78 4.40 12 0 0 167.48 5.20 -12 0 -1 -0.20 0.90 12 0 1 1.00 1.00 -12 0 -2 1.30 1.00 12 0 2 2.40 1.10 -12 0 -3 -0.40 1.10 12 0 3 0.70 1.00 -12 0 -4 4.10 1.20 12 0 4 5.20 1.40 -12 0 -5 -0.60 1.00 12 0 5 -0.70 1.10 -12 0 -6 2.80 1.20 12 0 6 0.90 1.40 12 0 7 -1.60 1.10 12 0 8 39.80 3.60 12 0 9 1.30 1.50 12 0 10 7.80 2.20 -12 1 12 0.50 1.30 12 -1 -12 0.80 1.50 -12 1 11 0.50 1.20 12 -1 -11 -0.20 1.00 -12 1 10 2.40 1.30 12 -1 -10 1.20 1.20 -12 1 9 2.90 1.30 12 -1 -9 -0.70 0.90 -12 1 8 0.80 1.10 12 -1 -8 0.50 1.00 -12 1 7 27.50 2.20 -12 1 7 23.70 2.20 12 -1 -7 23.70 2.30 -12 1 6 2.00 1.20 -12 1 6 3.10 1.20 12 -1 -6 2.90 1.10 -12 1 5 13.00 1.60 -12 1 5 11.30 1.60 12 -1 -5 14.20 1.70 -12 1 4 0.30 0.70 -12 1 4 -0.50 0.90 12 -1 -4 -0.30 0.70 -12 1 3 7.70 1.10 -12 1 3 6.40 1.40 12 -1 -3 6.20 1.20 -12 1 2 1.10 0.70 -12 1 2 1.00 1.10 12 -1 -2 0.10 0.80 -12 1 1 6.20 1.40 -12 1 1 4.80 0.80 12 -1 -1 6.80 1.30 -12 1 0 41.60 2.60 12 -1 0 46.50 2.60 -12 1 -1 6.50 1.50 12 -1 1 2.60 1.10 -12 1 -2 6.00 1.50 12 -1 2 4.40 1.30 -12 1 -3 0.50 1.10 12 -1 3 0.60 1.10 -12 1 -4 1.20 1.20 12 -1 4 -0.90 1.00 -12 1 -5 3.10 1.30 12 -1 5 0.30 1.10 -12 1 -6 0.70 1.00 12 -1 6 -0.20 1.10 12 -1 7 4.60 1.60 12 -1 8 2.30 1.60 12 -1 9 4.40 1.90 12 -1 10 5.00 2.30 -12 2 12 -0.90 1.30 -12 2 11 2.70 1.50 -12 2 10 1.90 1.50 12 -2 -10 0.20 0.90 -12 2 9 3.40 1.30 12 -2 -9 1.70 1.00 -12 2 8 3.20 1.20 12 -2 -8 1.50 1.00 -12 2 7 17.40 2.00 12 -2 -7 15.60 1.90 -12 2 6 209.28 6.10 -12 2 6 210.38 5.80 12 -2 -6 214.18 6.30 -12 2 5 160.28 5.20 -12 2 5 155.58 4.60 12 -2 -5 145.09 4.70 -12 2 4 45.20 2.80 -12 2 4 45.40 2.20 12 -2 -4 39.20 2.50 -12 2 3 7.90 1.50 -12 2 3 9.10 1.10 12 -2 -3 8.00 1.30 -12 2 2 2.80 1.30 12 -2 -2 4.30 1.00 -12 2 1 59.79 3.10 12 -2 -1 51.29 2.70 -12 2 0 0.80 1.20 12 -2 0 0.90 1.00 -12 2 -1 1.00 1.30 12 -2 1 1.20 1.00 -12 2 -2 1.30 1.30 12 -2 2 1.50 1.10 -12 2 -3 1.90 1.30 12 -2 3 0.30 1.20 -12 2 -4 2.40 1.30 12 -2 4 0.70 1.00 -12 2 -5 2.10 1.20 12 -2 5 0.70 1.30 -12 2 -6 -0.90 1.20 12 -2 6 -0.90 1.20 12 -2 7 0.20 1.50 12 -2 8 -0.10 1.40 12 -2 9 0.00 1.60 -12 3 12 2.50 1.70 -12 3 11 -1.90 1.10 -12 3 10 -0.90 1.10 -12 3 9 4.70 1.60 -12 3 8 1.00 1.20 -12 3 8 -1.30 0.90 12 -3 -8 0.40 1.10 -12 3 7 4.60 1.40 -12 3 7 6.60 1.40 12 -3 -7 2.10 0.90 -12 3 6 11.20 1.50 -12 3 6 12.60 1.80 12 -3 -6 1.10 0.50 -12 3 5 126.59 4.80 -12 3 5 116.29 3.80 12 -3 -5 116.79 4.20 -12 3 4 181.38 5.80 12 -3 -4 168.98 5.20 -12 3 3 1.60 1.40 12 -3 -3 -0.20 0.90 -12 3 2 396.36 9.90 12 -3 -2 393.96 9.60 -12 3 1 179.18 5.80 12 -3 -1 188.48 5.70 -12 3 0 9.80 1.90 12 -3 0 11.40 1.60 -12 3 -1 0.70 1.20 12 -3 1 3.00 1.20 -12 3 -2 -3.10 1.30 12 -3 2 1.20 1.00 -12 3 -3 -0.50 1.30 12 -3 3 2.70 1.20 -12 3 -4 -2.30 1.10 12 -3 4 1.70 1.20 -12 3 -5 2.20 1.50 12 -3 5 0.90 1.20 -12 3 -6 -1.10 1.30 12 -3 6 -0.50 1.30 12 -3 7 0.70 1.40 12 -3 8 0.60 1.50 -12 4 11 1.80 1.60 -12 4 10 1.90 1.30 -12 4 9 2.20 1.50 -12 4 8 12.40 1.90 -12 4 8 12.30 2.00 -12 4 7 38.00 2.60 -12 4 7 37.20 3.00 -12 4 6 33.10 3.00 -12 4 5 14.50 2.20 12 -4 -5 12.80 1.60 -12 4 4 39.80 3.00 12 -4 -4 41.50 2.50 -12 4 3 375.26 9.90 12 -4 -3 1.50 0.50 -12 4 2 92.89 4.30 12 -4 -2 90.09 3.70 -12 4 1 3.80 1.60 12 -4 -1 7.10 1.40 -12 4 0 -0.20 1.50 12 -4 0 -0.30 0.90 -12 4 -1 0.50 1.30 12 -4 1 0.00 1.00 -12 4 -2 1.30 1.40 12 -4 2 3.20 1.30 -12 4 -3 0.40 1.40 12 -4 3 -0.80 1.00 -12 4 -4 12.50 2.10 12 -4 4 9.80 1.90 -12 4 -5 -0.20 1.50 12 -4 5 2.60 1.50 12 -4 6 4.40 1.80 12 -4 7 0.20 1.40 12 -4 8 -0.10 1.60 -12 5 11 0.90 1.70 -12 5 10 -2.60 1.20 -12 5 8 2.30 1.60 -12 5 7 10.00 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1.30 19 0 -5 1.00 1.30 -19 0 4 1.40 1.50 19 0 -4 1.90 1.30 -19 0 3 -2.00 1.20 19 0 -3 0.20 1.30 -19 0 2 4.30 1.60 19 0 -2 8.50 1.90 -19 0 1 0.60 1.40 19 0 -1 0.90 1.40 -19 0 0 2.70 1.50 19 0 0 -0.10 1.30 -19 0 -1 -2.90 1.30 19 0 1 0.40 1.40 -19 0 -2 0.90 1.60 19 0 2 3.80 1.80 -19 0 -3 1.50 1.60 19 0 3 -0.10 1.60 -19 0 -4 6.50 1.90 19 0 4 3.40 1.90 -19 0 -5 -1.10 1.60 19 -1 -9 4.80 1.80 19 -1 -8 7.10 1.90 -19 1 7 0.60 1.50 19 -1 -7 0.80 1.40 -19 1 6 1.60 1.60 19 -1 -6 -0.70 1.10 -19 1 5 2.90 1.70 19 -1 -5 -1.50 1.20 -19 1 4 -2.40 1.20 19 -1 -4 -0.60 1.10 -19 1 3 0.20 1.40 19 -1 -3 -1.00 1.10 -19 1 2 -0.10 1.40 19 -1 -2 0.50 1.20 -19 1 1 8.20 2.10 19 -1 -1 8.80 2.00 -19 1 0 6.10 1.80 19 -1 0 5.90 1.70 -19 1 -1 6.60 2.10 19 -1 1 5.20 1.80 -19 1 -2 0.60 1.50 19 -1 2 -0.50 1.50 -19 1 -3 10.40 2.30 19 -1 3 9.00 2.20 -19 1 -4 10.50 2.40 -19 1 -5 9.20 2.50 19 -2 -9 8.40 2.00 19 -2 -8 6.60 1.80 -19 2 7 1.20 1.60 19 -2 -7 1.10 1.30 -19 2 6 -0.80 1.50 19 -2 -6 1.00 1.30 -19 2 5 -1.70 1.40 19 -2 -5 1.30 1.20 -19 2 4 -0.70 1.30 19 -2 -4 0.70 1.30 -19 2 3 -1.60 1.50 19 -2 -3 0.50 1.20 -19 2 2 -0.80 1.60 19 -2 -2 -0.40 1.20 -19 2 1 -0.70 1.50 19 -2 -1 0.50 1.30 -19 2 0 5.50 2.00 19 -2 0 3.80 1.60 -19 2 -1 -2.10 1.40 19 -2 1 -1.50 1.20 -19 2 -2 3.40 1.80 19 -2 2 2.80 1.70 -19 2 -3 7.60 2.20 19 -2 3 17.00 4.10 -19 2 -4 2.10 1.80 -19 3 7 -2.00 1.60 19 -3 -7 1.60 1.40 -19 3 6 -1.20 1.40 19 -3 -6 1.20 1.20 -19 3 5 3.60 1.80 19 -3 -5 2.80 1.50 -19 3 4 0.20 1.50 19 -3 -4 -0.60 1.20 -19 3 3 0.50 1.80 19 -3 -3 -0.60 1.30 -19 3 2 -0.70 1.80 19 -3 -2 -1.90 1.00 -19 3 1 1.20 1.70 19 -3 -1 -0.30 1.50 -19 3 0 -1.80 1.70 19 -3 0 2.70 1.70 -19 3 -1 0.40 1.70 19 -3 1 -0.30 1.30 -19 3 -2 1.00 2.00 19 -3 2 1.00 1.60 -19 3 -3 -2.20 2.40 -19 4 7 2.70 2.20 -19 4 6 1.40 1.80 -19 4 5 3.90 2.10 19 -4 -5 0.70 2.00 -19 4 4 -0.20 1.90 19 -4 -4 -1.20 1.30 -19 4 3 -2.40 1.50 19 -4 -3 0.20 1.30 -19 4 2 -1.20 1.60 19 -4 -2 1.00 1.40 -19 4 1 0.20 1.90 19 -4 -1 -0.50 1.50 19 -4 0 6.20 1.80 19 -4 1 10.70 2.40 19 -5 -1 -1.50 1.50 -20 -4 4 5.80 1.80 -20 -4 3 3.10 1.70 20 4 -3 3.20 1.80 -20 -4 2 0.70 1.60 20 4 -2 1.00 1.60 20 4 -1 1.40 1.60 20 4 0 1.00 1.60 -20 -3 7 -0.10 1.70 -20 -3 6 -0.80 1.40 -20 -3 6 2.80 1.80 -20 -3 5 3.80 1.60 -20 -3 5 5.10 1.80 20 3 -5 2.00 2.30 -20 -3 4 6.40 1.70 -20 -3 4 3.80 1.90 20 3 -4 3.60 1.70 -20 -3 3 3.70 1.70 20 3 -3 5.70 1.90 -20 -3 2 4.20 1.70 20 3 -2 1.00 1.40 -20 -3 1 1.00 2.70 20 3 -1 2.10 1.50 20 3 0 1.70 1.50 20 3 1 1.30 1.60 20 3 2 0.00 1.50 -20 -2 8 1.80 1.70 -20 -2 7 1.80 1.40 -20 -2 7 -0.30 1.30 -20 -2 6 1.60 1.40 -20 -2 6 1.10 1.50 20 2 -6 -1.30 1.20 -20 -2 5 1.90 1.60 20 2 -5 2.20 1.40 -20 -2 4 -1.40 1.10 20 2 -4 -1.30 1.20 -20 -2 3 0.80 1.40 20 2 -3 0.60 1.50 -20 -2 2 1.40 1.40 20 2 -2 2.60 1.60 -20 -2 1 -0.90 1.30 20 2 -1 -1.00 1.30 -20 -2 0 -0.50 1.30 20 2 0 3.40 1.90 -20 -2 -1 0.10 1.60 20 2 1 0.00 1.60 20 2 2 2.30 1.70 -20 -1 9 0.30 1.60 -20 -1 7 -1.00 1.40 20 1 -7 1.40 2.80 -20 -1 6 0.50 1.50 20 1 -6 2.20 1.60 -20 -1 5 0.60 1.30 20 1 -5 1.00 1.30 -20 -1 4 -0.50 1.30 20 1 -4 0.00 1.40 -20 -1 3 1.20 1.40 20 1 -3 1.70 1.40 -20 -1 2 4.60 1.70 20 1 -2 4.30 1.70 -20 -1 1 4.20 1.70 20 1 -1 2.70 1.60 -20 -1 0 3.90 1.70 20 1 0 1.80 1.70 -20 -1 -1 -0.60 1.30 20 1 1 -0.60 1.30 -20 -1 -2 3.60 1.90 20 1 2 1.70 1.80 -20 0 7 -1.60 1.30 20 0 -7 1.90 1.40 -20 0 6 0.20 1.30 20 0 -6 1.60 1.50 -20 0 5 -1.20 1.20 20 0 -5 1.10 1.30 -20 0 4 2.90 1.50 20 0 -4 2.30 1.50 -20 0 3 -0.80 1.20 20 0 -3 0.60 1.20 -20 0 2 14.90 2.40 20 0 -2 16.60 2.50 -20 0 1 -1.30 1.20 20 0 -1 3.20 1.80 -20 0 0 -1.00 1.40 20 0 0 0.70 1.50 -20 0 -1 0.10 1.40 20 0 1 -2.60 1.30 -20 0 -2 0.80 1.60 20 0 2 -0.50 1.40 20 -1 -8 2.50 2.20 -20 1 7 -0.20 1.60 20 -1 -7 -1.10 1.20 -20 1 6 -0.70 1.50 20 -1 -6 1.90 1.40 -20 1 5 -1.90 1.40 20 -1 -5 1.50 1.40 -20 1 4 -2.00 1.20 20 -1 -4 2.00 1.30 -20 1 3 4.50 1.70 20 -1 -3 -0.10 1.30 -20 1 2 2.80 1.80 20 -1 -2 4.30 1.70 -20 1 1 4.80 2.00 20 -1 -1 4.60 1.70 -20 1 0 1.30 1.70 20 -1 0 4.60 1.70 -20 1 -1 -1.40 1.40 20 -1 1 -0.40 1.40 -20 1 -2 0.70 1.60 20 -2 -8 0.20 1.40 -20 2 7 -1.20 1.50 20 -2 -7 3.10 1.70 -20 2 6 0.10 1.70 20 -2 -6 2.50 1.60 -20 2 5 0.30 1.70 20 -2 -5 1.20 1.30 -20 2 4 -1.10 1.50 20 -2 -4 0.60 1.20 -20 2 3 0.10 1.70 20 -2 -3 -0.40 1.10 -20 2 2 2.20 1.70 20 -2 -2 0.00 1.40 -20 2 1 -1.70 1.50 20 -2 -1 -1.10 1.10 -20 2 0 0.10 1.70 20 -2 0 -1.90 1.20 -20 2 -1 0.10 1.90 20 -2 1 0.70 1.60 -20 3 7 0.70 1.90 20 -3 -7 1.10 1.40 -20 3 6 0.00 1.90 20 -3 -6 0.70 1.40 -20 3 5 -0.90 1.80 20 -3 -5 3.80 1.70 -20 3 4 3.20 2.10 20 -3 -4 2.70 1.50 -20 3 3 2.50 1.90 20 -3 -3 5.00 1.70 -20 3 2 -0.90 1.90 20 -3 -2 1.40 1.40 20 -3 -1 -0.20 1.50 20 -3 0 2.40 1.80 20 -4 -4 5.60 1.90 20 -4 -3 -0.80 1.40 20 -4 -2 2.60 1.60 20 -4 -1 1.60 2.30 -21 -3 6 4.50 2.20 -21 -2 7 6.60 2.80 -21 -2 6 2.40 1.60 -21 -2 5 0.40 1.60 -21 -2 4 -0.10 1.60 21 2 -2 0.30 2.60 21 2 -1 -3.20 1.70 -21 -1 7 2.40 1.60 -21 -1 6 1.50 1.50 -21 -1 5 6.40 1.90 -21 -1 4 1.20 1.50 21 1 -4 2.20 1.80 -21 -1 3 -0.30 1.30 21 1 -3 1.90 1.50 -21 -1 2 3.50 1.70 21 1 -2 0.50 1.60 21 1 -1 0.90 1.60 -21 0 7 0.40 1.50 -21 0 6 3.70 1.80 -21 0 5 -0.40 1.50 21 0 -5 1.70 1.70 -21 0 4 1.20 1.40 21 0 -4 1.20 1.50 -21 0 3 -1.50 1.30 21 0 -3 -2.20 1.20 -21 0 2 -0.20 1.60 21 0 -2 -0.10 1.50 -21 0 1 -0.40 1.80 21 0 -1 1.90 1.70 -21 1 7 0.50 1.60 -21 1 6 -2.10 1.50 -21 1 5 0.50 1.70 21 -1 -5 1.00 1.80 -21 1 4 -2.20 1.50 21 -1 -4 0.60 1.40 -21 1 3 2.10 1.90 21 -1 -3 1.60 1.50 -21 1 2 -1.20 1.50 21 -1 -2 0.20 1.40 21 -1 -1 -0.60 1.70 21 -2 -5 1.00 2.10 21 -2 -4 0.50 1.40 21 -2 -3 0.50 1.50 21 -2 -2 -0.40 2.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 95646 _olex2_submission_special_instructions 'No special instructions were received' 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_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group N1 N 0.41821(8) 0.39485(19) 0.39296(12) 0.0555(4) Uani 1 1 d . . . . . C1 C 0.07691(11) 0.6614(3) 0.69347(18) 0.0738(6) Uani 1 1 d . . . . . H1 H 0.033334 0.644194 0.726452 0.089 Uiso 1 1 calc R U . . . C2 C 0.11741(12) 0.8145(3) 0.71403(18) 0.0775(6) Uani 1 1 d . . . . . H2 H 0.101324 0.899138 0.761529 0.093 Uiso 1 1 calc R U . . . C3 C 0.18133(11) 0.8440(3) 0.66529(17) 0.0711(6) Uani 1 1 d . . . . . H3 H 0.207798 0.948854 0.679737 0.085 Uiso 1 1 calc R U . . . C4 C 0.20723(10) 0.7191(2) 0.59434(15) 0.0549(5) Uani 1 1 d . . . . . C5 C 0.27291(10) 0.7446(2) 0.54056(16) 0.0617(5) Uani 1 1 d . . . . . H5 H 0.299738 0.849322 0.552694 0.074 Uiso 1 1 calc R U . . . C6 C 0.29708(10) 0.6228(2) 0.47325(16) 0.0557(5) Uani 1 1 d . . . . . H6 H 0.339969 0.645698 0.439721 0.067 Uiso 1 1 calc R U . . . C7 C 0.25883(9) 0.4575(2) 0.45118(13) 0.0458(4) Uani 1 1 d . . . . . C8 C 0.19186(9) 0.4294(2) 0.50132(13) 0.0465(4) Uani 1 1 d . . . . . C9 C 0.16649(9) 0.5601(2) 0.57304(13) 0.0487(4) Uani 1 1 d . . . . . C10 C 0.10022(10) 0.5313(3) 0.62382(15) 0.0587(5) Uani 1 1 d . . . . . C11 C 0.06052(10) 0.3692(3) 0.60114(19) 0.0722(6) Uani 1 1 d . . . . . H11 H 0.016981 0.349088 0.633662 0.087 Uiso 1 1 calc R U . . . C12 C 0.08389(10) 0.2460(3) 0.53482(19) 0.0698(6) Uani 1 1 d . . . . . H12 H 0.056580 0.141900 0.522789 0.084 Uiso 1 1 calc R U . . . C13 C 0.15047(10) 0.2704(2) 0.48147(16) 0.0549(5) Uani 1 1 d . U . . . C14 C 0.17597(11) 0.1455(3) 0.41149(18) 0.0666(5) Uani 1 1 d . U . . . H14 H 0.149340 0.040764 0.397874 0.080 Uiso 1 1 calc R U . . . C15 C 0.23993(10) 0.1732(2) 0.36160(16) 0.0623(5) Uani 1 1 d . . . . . H15 H 0.255044 0.087137 0.314173 0.075 Uiso 1 1 calc R U . . . C16 C 0.28262(9) 0.3269(2) 0.38039(14) 0.0493(4) Uani 1 1 d . . . . . C17 C 0.35144(10) 0.3460(2) 0.32444(14) 0.0483(4) Uani 1 1 d . . . . . C18 C 0.34738(10) 0.3103(2) 0.20620(15) 0.0607(5) Uani 1 1 d . . . . . H18 H 0.300564 0.277849 0.159534 0.073 Uiso 1 1 calc R U . . . C19 C 0.41255(12) 0.3228(3) 0.15785(17) 0.0653(5) Uani 1 1 d . . . . . H19 H 0.409827 0.298163 0.078497 0.078 Uiso 1 1 calc R U . . . C20 C 0.48189(11) 0.3718(2) 0.22646(16) 0.0569(5) Uani 1 1 d . . . . . C21 C 0.48060(10) 0.4058(2) 0.34354(16) 0.0583(5) Uani 1 1 d . . . . . H21 H 0.526826 0.438906 0.391565 0.070 Uiso 1 1 calc R U . . . C22 C 0.55498(12) 0.3861(3) 0.1778(2) 0.0847(7) Uani 1 1 d . . . . . H22A H 0.564723 0.506117 0.162802 0.127 Uiso 1 1 calc R U . . . H22B H 0.549383 0.321281 0.105801 0.127 Uiso 1 1 calc R U . . . H22C H 0.597457 0.340030 0.233886 0.127 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N1 0.0566(9) 0.0633(10) 0.0468(8) -0.0060(7) 0.0104(7) -0.0037(7) C1 0.0641(12) 0.0929(17) 0.0701(14) 0.0034(12) 0.0268(10) 0.0116(12) C2 0.0795(14) 0.0852(17) 0.0733(14) -0.0117(12) 0.0285(12) 0.0146(12) C3 0.0781(13) 0.0668(13) 0.0710(13) -0.0141(11) 0.0207(11) 0.0016(11) C4 0.0575(11) 0.0549(11) 0.0527(11) -0.0012(9) 0.0112(9) 0.0012(9) C5 0.0643(12) 0.0510(11) 0.0725(13) -0.0085(10) 0.0198(10) -0.0082(9) C6 0.0570(10) 0.0492(11) 0.0645(11) -0.0023(9) 0.0208(9) -0.0051(9) C7 0.0478(9) 0.0464(10) 0.0419(9) 0.0036(8) 0.0051(7) -0.0006(8) C8 0.0447(9) 0.0490(10) 0.0425(9) 0.0069(8) 0.0000(7) -0.0013(8) C9 0.0467(9) 0.0551(11) 0.0422(9) 0.0076(8) 0.0036(7) 0.0053(8) C10 0.0493(10) 0.0701(13) 0.0569(11) 0.0125(10) 0.0106(9) 0.0048(9) C11 0.0537(11) 0.0833(16) 0.0827(15) 0.0122(12) 0.0211(10) -0.0021(11) C12 0.0552(11) 0.0675(14) 0.0859(15) 0.0103(11) 0.0113(11) -0.0154(10) C13 0.0499(10) 0.0542(11) 0.0574(11) 0.0051(9) 0.0025(8) -0.0043(9) C14 0.0666(12) 0.0544(12) 0.0759(13) -0.0054(10) 0.0064(10) -0.0175(10) C15 0.0677(12) 0.0555(12) 0.0622(12) -0.0118(9) 0.0085(9) -0.0051(9) C16 0.0534(10) 0.0477(10) 0.0444(10) -0.0016(8) 0.0033(8) -0.0003(8) C17 0.0566(10) 0.0432(10) 0.0440(10) -0.0035(8) 0.0071(8) 0.0043(8) C18 0.0648(11) 0.0656(13) 0.0496(11) -0.0136(9) 0.0058(9) 0.0037(10) C19 0.0828(14) 0.0698(13) 0.0454(10) -0.0112(9) 0.0173(10) 0.0078(11) C20 0.0691(12) 0.0488(11) 0.0568(11) -0.0056(9) 0.0225(10) 0.0034(9) C21 0.0583(11) 0.0616(12) 0.0562(11) -0.0064(9) 0.0140(9) -0.0029(9) C22 0.0945(15) 0.0821(16) 0.0899(16) -0.0159(13) 0.0489(13) -0.0037(13) 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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C21 N1 C17 117.76(15) . . ? C2 C1 H1 119.5 . . ? C2 C1 C10 120.91(18) . . ? C10 C1 H1 119.5 . . ? C1 C2 H2 119.6 . . ? C3 C2 C1 120.72(19) . . ? C3 C2 H2 119.6 . . ? C2 C3 H3 119.5 . . ? C2 C3 C4 121.0(2) . . ? C4 C3 H3 119.5 . . ? C3 C4 C5 123.02(18) . . ? C3 C4 C9 118.98(17) . . ? C9 C4 C5 117.99(16) . . ? C4 C5 H5 118.9 . . ? C6 C5 C4 122.11(17) . . ? C6 C5 H5 118.9 . . ? C5 C6 H6 119.0 . . ? C5 C6 C7 122.07(16) . . ? C7 C6 H6 119.0 . . ? C8 C7 C6 117.21(15) . . ? C16 C7 C6 123.43(15) . . ? C16 C7 C8 119.33(15) . . ? C7 C8 C9 120.34(15) . . ? C13 C8 C7 120.23(16) . . ? C13 C8 C9 119.43(15) . . ? C4 C9 C8 120.25(15) . . ? C4 C9 C10 119.49(16) . . ? C10 C9 C8 120.26(16) . . ? C1 C10 C9 118.90(19) . . ? C1 C10 C11 122.91(18) . . ? C9 C10 C11 118.19(18) . . ? C10 C11 H11 119.0 . . ? C12 C11 C10 122.09(18) . . ? C12 C11 H11 119.0 . . ? C11 C12 H12 119.3 . . ? C11 C12 C13 121.41(19) . . ? C13 C12 H12 119.3 . . ? C8 C13 C12 118.63(17) . . ? C14 C13 C8 118.50(16) . . ? C14 C13 C12 122.87(18) . . ? C13 C14 H14 119.3 . . ? C15 C14 C13 121.41(17) . . ? C15 C14 H14 119.3 . . ? C14 C15 H15 119.2 . . ? C14 C15 C16 121.69(17) . . ? C16 C15 H15 119.2 . . ? C7 C16 C17 122.73(15) . . ? C15 C16 C7 118.83(16) . . ? C15 C16 C17 118.44(15) . . ? N1 C17 C16 117.82(14) . . ? N1 C17 C18 120.95(15) . . ? C18 C17 C16 121.21(15) . . ? C17 C18 H18 120.0 . . ? C19 C18 C17 119.95(17) . . ? C19 C18 H18 120.0 . . ? C18 C19 H19 119.9 . . ? C18 C19 C20 120.23(17) . . ? C20 C19 H19 119.9 . . ? C19 C20 C21 115.95(16) . . ? C19 C20 C22 122.23(17) . . ? C21 C20 C22 121.82(17) . . ? N1 C21 C20 125.16(17) . . ? N1 C21 H21 117.4 . . ? C20 C21 H21 117.4 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22B 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag N1 C17 1.341(2) . ? N1 C21 1.335(2) . ? C1 H1 0.9300 . ? C1 C2 1.373(3) . ? C1 C10 1.394(3) . ? C2 H2 0.9300 . ? C2 C3 1.371(3) . ? C3 H3 0.9300 . ? C3 C4 1.395(2) . ? C4 C5 1.429(2) . ? C4 C9 1.415(2) . ? C5 H5 0.9300 . ? C5 C6 1.339(2) . ? C6 H6 0.9300 . ? C6 C7 1.438(2) . ? C7 C8 1.427(2) . ? C7 C16 1.409(2) . ? C8 C9 1.428(2) . ? C8 C13 1.419(2) . ? C9 C10 1.422(2) . ? C10 C11 1.428(3) . ? C11 H11 0.9300 . ? C11 C12 1.333(3) . ? C12 H12 0.9300 . ? C12 C13 1.439(2) . ? C13 C14 1.385(2) . ? C14 H14 0.9300 . ? C14 C15 1.378(2) . ? C15 H15 0.9300 . ? C15 C16 1.395(2) . ? C16 C17 1.487(2) . ? C17 C18 1.384(2) . ? C18 H18 0.9300 . ? C18 C19 1.374(2) . ? C19 H19 0.9300 . ? C19 C20 1.377(2) . ? C20 C21 1.385(2) . ? C20 C22 1.505(2) . ? C21 H21 0.9300 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag C19 H19 N1 0.93 2.64 3.511(2) 156.7 4_565 yes C21 H21 N1 0.93 2.81 3.571(2) 140.4 3_666 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 C17 C18 C19 0.7(3) . . . . ? C1 C2 C3 C4 -0.5(3) . . . . ? C1 C10 C11 C12 -179.63(19) . . . . ? C2 C1 C10 C9 -0.6(3) . . . . ? C2 C1 C10 C11 179.23(19) . . . . ? C2 C3 C4 C5 179.25(18) . . . . ? C2 C3 C4 C9 0.0(3) . . . . ? C3 C4 C5 C6 179.65(18) . . . . ? C3 C4 C9 C8 -179.67(16) . . . . ? C3 C4 C9 C10 0.2(2) . . . . ? C4 C5 C6 C7 -0.4(3) . . . . ? C4 C9 C10 C1 0.1(2) . . . . ? C4 C9 C10 C11 -179.73(16) . . . . ? C5 C4 C9 C8 1.0(2) . . . . ? C5 C4 C9 C10 -179.12(15) . . . . ? C5 C6 C7 C8 1.8(2) . . . . ? C5 C6 C7 C16 179.71(16) . . . . ? C6 C7 C8 C9 -1.8(2) . . . . ? C6 C7 C8 C13 178.94(15) . . . . ? C6 C7 C16 C15 -177.99(16) . . . . ? C6 C7 C16 C17 1.9(2) . . . . ? C7 C8 C9 C4 0.5(2) . . . . ? C7 C8 C9 C10 -179.40(14) . . . . ? C7 C8 C13 C12 179.14(15) . . . . ? C7 C8 C13 C14 -0.9(2) . . . . ? C7 C16 C17 N1 50.8(2) . . . . ? C7 C16 C17 C18 -130.89(18) . . . . ? C8 C7 C16 C15 -0.2(2) . . . . ? C8 C7 C16 C17 179.70(14) . . . . ? C8 C9 C10 C1 179.98(16) . . . . ? C8 C9 C10 C11 0.1(2) . . . . ? C8 C13 C14 C15 0.0(3) . . . . ? C9 C4 C5 C6 -1.1(3) . . . . ? C9 C8 C13 C12 -0.1(2) . . . . ? C9 C8 C13 C14 179.89(15) . . . . ? C9 C10 C11 C12 0.2(3) . . . . ? C10 C1 C2 C3 0.8(3) . . . . ? C10 C11 C12 C13 -0.5(3) . . . . ? C11 C12 C13 C8 0.4(3) . . . . ? C11 C12 C13 C14 -179.54(19) . . . . ? C12 C13 C14 C15 179.93(18) . . . . ? C13 C8 C9 C4 179.67(14) . . . . ? C13 C8 C9 C10 -0.2(2) . . . . ? C13 C14 C15 C16 0.9(3) . . . . ? C14 C15 C16 C7 -0.8(3) . . . . ? C14 C15 C16 C17 179.36(16) . . . . ? C15 C16 C17 N1 -129.34(17) . . . . ? C15 C16 C17 C18 49.0(2) . . . . ? C16 C7 C8 C9 -179.80(14) . . . . ? C16 C7 C8 C13 1.0(2) . . . . ? C16 C17 C18 C19 -177.56(16) . . . . ? C17 N1 C21 C20 0.4(3) . . . . ? C17 C18 C19 C20 -0.4(3) . . . . ? C18 C19 C20 C21 0.1(3) . . . . ? C18 C19 C20 C22 179.53(18) . . . . ? C19 C20 C21 N1 -0.1(3) . . . . ? C21 N1 C17 C16 177.59(15) . . . . ? C21 N1 C17 C18 -0.7(2) . . . . ? C22 C20 C21 N1 -179.57(17) . . . . ?