#------------------------------------------------------------------------------ #$Date: 2024-12-03 04:59:07 +0200 (Tue, 03 Dec 2024) $ #$Revision: 296196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/27/2312713.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_2312713 loop_ _publ_author_name 'Kanthapazham, Rajakumar' 'Osipov, Artyom A.' 'Zherebtsov, Dmitry A.' 'Efremov, Andrey N.' 'Nayfert, Sergey A.' 'Adonin, Sergey A.' 'Spiridonova, Dar'ya V.' 'Atapin, Sergey V.' _publ_section_title ; Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. ; _journal_coeditor_code AW5097 _journal_issue 6 _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_paper_doi 10.1107/S2052520624009818 _journal_volume 80 _journal_year 2024 _chemical_formula_moiety 'C4 H2 O4, 6(H2 O), C18 H26 N2' _chemical_formula_sum 'C22 H40 N2 O10' _chemical_formula_weight 492.56 _space_group_crystal_system orthorhombic _space_group_IT_number 60 _space_group_name_Hall '-P 2n 2ab' _space_group_name_H-M_alt 'P b c n' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2024-07-02 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 24.8529(3) _cell_length_b 8.38690(10) _cell_length_c 11.93900(10) _cell_measurement_reflns_used 16681 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 78.5360 _cell_measurement_theta_min 3.5410 _cell_volume 2488.55(5) _computing_cell_refinement 'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2019/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.969 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -109.00 -59.00 0.50 0.20 -- -47.51 -47.00 36.00 100 2 \w 3.00 28.00 0.50 0.20 -- 47.51-112.00 169.00 50 3 \w -167.00-110.00 0.50 0.80 -- -106.00 -47.00 36.00 114 4 \w -94.00 -34.00 0.50 0.80 -- -106.00 76.00 16.00 120 5 \w 63.00 108.00 0.50 0.80 -- 113.25-112.00 169.00 90 6 \w 84.00 110.00 0.50 0.20 -- 47.51 125.00-180.00 52 7 \w 48.00 83.00 0.50 0.20 -- 47.51-112.00 169.00 70 8 \w -27.00 26.00 0.50 0.20 -- 47.51 -19.00-120.00 106 9 \w -89.00 -42.00 0.50 0.80 -- -106.00 77.00 -30.00 94 10 \w -170.00-140.00 0.50 0.80 -- -106.00 -30.00 -90.00 60 11 \w -125.00 -99.00 0.50 0.80 -- -106.00 -30.00 -90.00 52 12 \w 54.00 106.00 0.50 0.80 -- 113.25 -77.00 150.00 104 13 \w 42.00 67.00 0.50 0.80 -- 113.25 -61.00 150.00 50 14 \w 42.00 67.00 0.50 0.80 -- 113.25 -61.00 90.00 50 15 \w 45.00 70.00 0.50 0.80 -- 113.25 -61.00 60.00 50 16 \w 42.00 67.00 0.50 0.80 -- 113.25 -61.00-180.00 50 17 \w 77.00 102.00 0.50 0.80 -- 113.25 -76.00-110.00 50 18 \w -119.00 -73.00 0.50 0.20 -- -47.51-125.00 120.00 92 19 \w -19.00 21.00 0.50 0.20 -- 47.51 -19.00 120.00 80 20 \w 46.00 95.00 0.50 0.20 -- 47.51-125.00 -60.00 98 21 \w 43.00 119.00 0.50 0.20 -- 47.51 57.00-180.00 152 22 \w 75.00 118.00 0.50 0.20 -- 47.51 125.00-120.00 86 23 \w -15.00 25.00 0.50 0.20 -- 47.51 -19.00 -60.00 80 24 \w -14.00 13.00 0.50 0.20 -- 47.51 -19.00 -90.00 54 25 \w -27.00 -1.00 0.50 0.20 -- 47.51 -19.00 90.00 52 26 \w -123.00 -92.00 0.50 0.80 -- -106.00 -15.00 120.00 62 27 \w -138.00 -85.00 0.50 0.80 -- -106.00-125.00 150.00 106 28 \w -177.00 -91.00 0.50 0.80 -- -106.00 -61.00 150.00 172 29 \w -66.00 -36.00 0.50 0.80 -- -106.00 61.00 30.00 60 30 \w -60.00 -33.00 0.50 0.80 -- -106.00 61.00 150.00 54 31 \w -112.00 -75.00 0.50 0.80 -- -106.00 125.00 -60.00 74 32 \w -171.00-113.00 0.50 0.80 -- -106.00 -30.00-150.00 116 33 \w -70.00 -33.00 0.50 0.80 -- -106.00 125.00 -60.00 74 34 \w -155.00 -95.00 0.50 0.80 -- -106.00 -15.00 150.00 120 35 \w -173.00-140.00 0.50 0.80 -- -106.00 -30.00 90.00 66 36 \w -108.00 -39.00 0.50 0.80 -- -106.00 125.00 0.00 138 37 \w -174.00-161.00 0.50 0.80 -- -106.00 -15.00 120.00 26 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at home/near, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0125741000 _diffrn_orient_matrix_UB_12 -0.1465546000 _diffrn_orient_matrix_UB_13 -0.0733510000 _diffrn_orient_matrix_UB_21 0.0341056000 _diffrn_orient_matrix_UB_22 -0.1050973000 _diffrn_orient_matrix_UB_23 0.0784282000 _diffrn_orient_matrix_UB_31 -0.0502063000 _diffrn_orient_matrix_UB_32 -0.0348648000 _diffrn_orient_matrix_UB_33 0.0715687000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0422 _diffrn_reflns_av_unetI/netI 0.0194 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.969 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_h_min -31 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 23452 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.969 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 79.663 _diffrn_reflns_theta_min 3.557 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 0.866 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.80300 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.103a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.315 _exptl_crystal_description prism _exptl_crystal_F_000 1064 _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.14 _refine_diff_density_max 0.870 _refine_diff_density_min -0.616 _refine_diff_density_rms 0.063 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.064 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 166 _refine_ls_number_reflns 2633 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.064 _refine_ls_R_factor_all 0.0609 _refine_ls_R_factor_gt 0.0587 _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^)+(0.0848P)^2^+2.6008P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1628 _refine_ls_wR_factor_ref 0.1647 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2466 _reflns_number_total 2633 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL fumarate0002_a.res in Pbcn fumarate0002.res created by SHELXL-2019/3 at 12:19:52 on 07-Jun-2024 REM Old TITL fumarate0002_auto in Pbcn REM SHELXT solution in Pbcn: R1 0.141, Rweak 0.031, Alpha 0.012 REM 0.748 for 377 systematic absences, Orientation as input REM Formula found by SHELXT: C11 N3 O3 CELL 1.54184 24.8529 8.3869 11.939 90 90 90 ZERR 4 0.0003 0.0001 0.0001 0 0 0 LATT 1 SYMM 0.5-X,0.5-Y,0.5+Z SYMM -X,+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H N O UNIT 88 160 8 40 L.S. 200 0 0 PLAN 5 SIZE 0.14 0.18 0.28 TEMP -173 CONF list 4 MORE -1 BOND $H fmap 2 53 acta REM REM REM WGHT 0.084800 2.600800 FVAR 0.54527 O2 4 0.568474 0.579131 0.151660 11.00000 0.02433 0.03216 = 0.03247 0.00321 0.00198 0.00183 O1 4 0.611991 0.410450 0.039595 11.00000 0.03287 0.02618 = 0.02992 -0.00213 -0.00515 -0.00221 AFIX 6 O5 4 0.855328 0.127128 0.318484 11.00000 0.03224 0.04315 = 0.03026 -0.00236 0.00007 0.00637 H5A 2 0.869409 0.116351 0.384674 11.00000 -1.50000 H5B 2 0.881468 0.105408 0.272504 11.00000 -1.50000 AFIX 0 N1 3 0.654200 0.078799 0.521715 11.00000 0.01914 0.01843 = 0.02625 -0.00247 -0.00131 0.00105 AFIX 6 O3 4 0.703008 0.368175 0.162678 11.00000 0.03494 0.06187 = 0.06003 -0.01476 -0.00938 0.00805 H3A 2 0.708837 0.456862 0.198483 11.00000 -1.50000 H3B 2 0.672716 0.383801 0.127824 11.00000 -1.50000 AFIX 6 O4 4 0.747943 0.123953 0.278951 11.00000 0.04839 0.06128 = 0.04411 0.01189 -0.00077 -0.01532 H4A 2 0.780084 0.155349 0.297710 11.00000 -1.50000 H4B 2 0.734125 0.205043 0.243788 11.00000 -1.50000 AFIX 0 C6 1 0.575735 -0.050194 0.431182 11.00000 0.02180 0.01576 = 0.02543 0.00318 -0.00044 0.00051 AFIX 43 H6 2 0.582626 -0.141638 0.475896 11.00000 -1.20000 AFIX 0 C1 1 0.608212 0.084325 0.440507 11.00000 0.01782 0.01843 = 0.02092 -0.00223 0.00047 0.00052 C3 1 0.555091 0.219389 0.303319 11.00000 0.02959 0.01441 = 0.02090 0.00047 0.00045 -0.00086 AFIX 43 H3 2 0.547652 0.312397 0.260623 11.00000 -1.20000 AFIX 0 C4 1 0.522483 0.085345 0.290877 11.00000 0.02185 0.01582 = 0.02055 -0.00059 0.00132 0.00075 C5 1 0.533238 -0.049433 0.356012 11.00000 0.02117 0.01463 = 0.02802 0.00107 -0.00035 -0.00151 AFIX 43 H5 2 0.511204 -0.141404 0.348685 11.00000 -1.20000 AFIX 0 C2 1 0.598212 0.219178 0.377003 11.00000 0.02497 0.01515 = 0.02288 -0.00142 0.00253 -0.00347 AFIX 43 H2 2 0.620612 0.310448 0.383818 11.00000 -1.20000 AFIX 0 C10 1 0.571607 0.491371 0.067328 11.00000 0.02531 0.02181 = 0.02837 0.00722 -0.00491 -0.01005 C7 1 0.685698 0.231652 0.524158 11.00000 0.02244 0.02115 = 0.03767 -0.00566 -0.00490 -0.00246 AFIX 137 H7A 2 0.699650 0.254484 0.449078 11.00000 -1.50000 H7B 2 0.715779 0.221164 0.576719 11.00000 -1.50000 H7C 2 0.662213 0.319014 0.548272 11.00000 -1.50000 AFIX 0 C8 1 0.632972 0.049214 0.638124 11.00000 0.03116 0.03782 = 0.02372 0.00240 -0.00359 -0.00001 AFIX 137 H8A 2 0.606726 0.131973 0.657435 11.00000 -1.50000 H8B 2 0.662819 0.051992 0.691730 11.00000 -1.50000 H8C 2 0.615567 -0.055562 0.640901 11.00000 -1.50000 AFIX 0 C11 1 0.524306 0.475123 -0.012881 11.00000 0.03171 0.02288 = 0.02978 -0.00005 -0.00006 -0.00326 AFIX 43 H11 2 0.530117 0.427374 -0.084016 11.00000 -1.20000 AFIX 0 C9 1 0.692133 -0.054322 0.490858 11.00000 0.02330 0.02177 = 0.04101 -0.00590 -0.00325 0.00445 AFIX 137 H9A 2 0.672736 -0.156039 0.492158 11.00000 -1.50000 H9B 2 0.721833 -0.057914 0.544793 11.00000 -1.50000 H9C 2 0.706497 -0.035581 0.415556 11.00000 -1.50000 AFIX 0 HKLF 4 REM fumarate0002_a.res in Pbcn REM wR2 = 0.1647, GooF = S = 1.064, Restrained GooF = 1.064 for all data REM R1 = 0.0587 for 2466 Fo > 4sig(Fo) and 0.0609 for all 2633 data REM 166 parameters refined using 0 restraints END WGHT 0.0848 2.6007 REM Highest difference peak 0.870, deepest hole -0.616, 1-sigma level 0.063 Q1 1 0.4918 0.4757 -0.0536 11.00000 0.05 0.87 Q2 1 0.6977 0.2949 0.2098 11.00000 0.05 0.42 Q3 1 0.5814 0.6346 0.1936 11.00000 0.05 0.37 Q4 1 0.5000 0.0808 0.2500 10.50000 0.05 0.28 Q5 1 0.5579 -0.0488 0.3838 11.00000 0.05 0.24 REM The information below was added by Olex2. REM REM R1 = 0.0587 for 2466 Fo > 4sig(Fo) and 0.0609 for all 25465 data REM 166 parameters refined using n/a restraints REM Highest difference peak 0.87, deepest hole -0.62 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0609 REM R1_gt = 0.0587 REM wR_ref = 0.1647 REM GOOF = 1.064 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 25465 REM Reflections_gt = 2466 REM Parameters = 166 REM Hole = -0.62 REM Peak = 0.87 REM Flack = n/a ; _cod_data_source_file aw5097sup1.cif _cod_data_source_block fumarate0002 _cod_database_code 2312713 _shelx_shelxl_version_number 2019/3 _chemical_oxdiff_formula 'C22 H28 N2 O4' _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 0.888 _shelx_estimated_absorpt_t_min 0.793 _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, All O(H,H) groups 2.a Free rotating group: O5(H5a,H5b), O3(H3a,H3b), O4(H4a,H4b) 2.b Aromatic/amide H refined with riding coordinates: C6(H6), C3(H3), C5(H5), C2(H2), C11(H11) 2.c Idealised Me refined as rotating group: C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c) ; _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.636 _oxdiff_exptl_absorpt_empirical_full_min 0.501 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y+1/2, z+1/2' '-x, y, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y-1/2, -z-1/2' 'x, -y, z-1/2' '-x-1/2, y-1/2, z' 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 O2 O 0.56847(5) 0.57913(17) 0.15166(12) 0.0297(3) Uani 1 1 d . . . . . O1 O 0.61199(6) 0.41045(16) 0.03960(12) 0.0297(3) Uani 1 1 d . . . . . O5 O 0.85533(6) 0.12713(19) 0.31848(13) 0.0352(4) Uani 1 1 d G . . . . H5A H 0.869409 0.116351 0.384674 0.053 Uiso 1 1 d G U . . . H5B H 0.881468 0.105408 0.272504 0.053 Uiso 1 1 d G U . . . N1 N 0.65420(6) 0.07880(17) 0.52171(13) 0.0213(3) Uani 1 1 d . . . . . O3 O 0.70301(7) 0.3682(2) 0.16268(17) 0.0523(5) Uani 1 1 d G . . . . H3A H 0.708837 0.456862 0.198483 0.078 Uiso 1 1 d G U . . . H3B H 0.672716 0.383801 0.127824 0.078 Uiso 1 1 d G U . . . O4 O 0.74794(8) 0.1240(2) 0.27895(15) 0.0513(5) Uani 1 1 d G . . . . H4A H 0.780084 0.155349 0.297710 0.077 Uiso 1 1 d G U . . . H4B H 0.734125 0.205043 0.243788 0.077 Uiso 1 1 d G U . . . C6 C 0.57574(7) -0.0502(2) 0.43118(15) 0.0210(4) Uani 1 1 d . . . . . H6 H 0.582626 -0.141638 0.475896 0.025 Uiso 1 1 calc R U . . . C1 C 0.60821(7) 0.0843(2) 0.44051(14) 0.0191(4) Uani 1 1 d . . . . . C3 C 0.55509(7) 0.2194(2) 0.30332(14) 0.0216(4) Uani 1 1 d . . . . . H3 H 0.547652 0.312397 0.260623 0.026 Uiso 1 1 calc R U . . . C4 C 0.52248(7) 0.0853(2) 0.29088(14) 0.0194(4) Uani 1 1 d . . . . . C5 C 0.53324(7) -0.0494(2) 0.35601(15) 0.0213(4) Uani 1 1 d . . . . . H5 H 0.511204 -0.141404 0.348685 0.026 Uiso 1 1 calc R U . . . C2 C 0.59821(7) 0.21918(19) 0.37700(15) 0.0210(4) Uani 1 1 d . . . . . H2 H 0.620612 0.310448 0.383818 0.025 Uiso 1 1 calc R U . . . C10 C 0.57161(7) 0.4914(2) 0.06733(16) 0.0252(4) Uani 1 1 d . . . . . C7 C 0.68570(7) 0.2317(2) 0.52416(17) 0.0271(4) Uani 1 1 d . . . . . H7A H 0.699650 0.254484 0.449078 0.041 Uiso 1 1 calc R U . . . H7B H 0.715779 0.221164 0.576719 0.041 Uiso 1 1 calc R U . . . H7C H 0.662213 0.319014 0.548272 0.041 Uiso 1 1 calc R U . . . C8 C 0.63297(8) 0.0492(3) 0.63812(16) 0.0309(4) Uani 1 1 d . . . . . H8A H 0.606726 0.131973 0.657435 0.046 Uiso 1 1 calc R U . . . H8B H 0.662819 0.051992 0.691730 0.046 Uiso 1 1 calc R U . . . H8C H 0.615567 -0.055562 0.640901 0.046 Uiso 1 1 calc R U . . . C11 C 0.52431(8) 0.4751(2) -0.01288(17) 0.0281(4) Uani 1 1 d . . . . . H11 H 0.530117 0.427374 -0.084016 0.034 Uiso 1 1 calc R U . . . C9 C 0.69213(8) -0.0543(2) 0.49086(18) 0.0287(4) Uani 1 1 d . . . . . H9A H 0.672736 -0.156039 0.492158 0.043 Uiso 1 1 calc R U . . . H9B H 0.721833 -0.057914 0.544793 0.043 Uiso 1 1 calc R U . . . H9C H 0.706497 -0.035581 0.415556 0.043 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 O2 0.0243(7) 0.0322(7) 0.0325(7) 0.0032(6) 0.0020(5) 0.0018(5) O1 0.0329(7) 0.0262(7) 0.0299(7) -0.0021(5) -0.0052(6) -0.0022(5) O5 0.0322(7) 0.0431(9) 0.0303(7) -0.0024(6) 0.0001(6) 0.0064(6) N1 0.0191(7) 0.0184(7) 0.0262(8) -0.0025(6) -0.0013(6) 0.0011(5) O3 0.0349(9) 0.0619(12) 0.0600(11) -0.0148(9) -0.0094(8) 0.0081(8) O4 0.0484(10) 0.0613(12) 0.0441(10) 0.0119(8) -0.0008(8) -0.0153(9) C6 0.0218(8) 0.0158(7) 0.0254(8) 0.0032(6) -0.0004(7) 0.0005(6) C1 0.0178(8) 0.0184(8) 0.0209(8) -0.0022(6) 0.0005(6) 0.0005(6) C3 0.0296(9) 0.0144(8) 0.0209(8) 0.0005(6) 0.0004(7) -0.0009(7) C4 0.0218(8) 0.0158(8) 0.0206(8) -0.0006(6) 0.0013(7) 0.0007(6) C5 0.0212(8) 0.0146(7) 0.0280(9) 0.0011(6) -0.0004(7) -0.0015(6) C2 0.0250(8) 0.0151(8) 0.0229(8) -0.0014(6) 0.0025(7) -0.0035(6) C10 0.0253(9) 0.0218(8) 0.0284(9) 0.0072(7) -0.0049(7) -0.0101(7) C7 0.0224(8) 0.0212(9) 0.0377(10) -0.0057(7) -0.0049(7) -0.0025(7) C8 0.0312(10) 0.0378(10) 0.0237(9) 0.0024(8) -0.0036(7) 0.0000(8) C11 0.0317(10) 0.0229(9) 0.0298(9) -0.0001(7) -0.0001(7) -0.0033(7) C9 0.0233(9) 0.0218(8) 0.0410(11) -0.0059(8) -0.0033(8) 0.0045(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u -2 0 0 824.7 32.44 -3 0 0 -0.09 0.27 -4 0 0 3823.97 150.07 -5 0 0 0.63 0.55 -5 0 0 0.53 0.46 -6 0 0 547.68 22.28 -6 0 0 537.52 21.97 -7 0 0 0.34 0.62 -7 0 0 -0.08 0.49 -8 0 0 352.35 14.95 -8 0 0 338.01 14.55 -9 0 0 2.31 0.82 -9 0 0 -0.11 0.53 -10 0 0 1.92 0.83 -11 0 0 0.39 0.68 -12 0 0 172.01 8.95 -12 0 0 175.19 8.94 -13 0 0 0.34 0.77 -13 0 0 1.21 0.93 -13 0 0 0.47 0.84 -14 0 0 3.2 1 -14 0 0 3.71 1.16 -14 0 0 4.06 1.23 -15 0 0 0.62 0.75 -15 0 0 -0.58 0.85 -15 0 0 -0.54 0.76 -16 0 0 184.08 9.85 -16 0 0 175.4 7.49 -16 0 0 165.24 9.41 -16 0 0 173.38 7.48 -16 0 0 175.55 7.96 -16 0 0 153.22 8.81 -17 0 0 -0.74 0.52 -17 0 0 0.2 0.55 -17 0 0 0.3 0.73 -17 0 0 -0.24 0.7 -17 0 0 0.33 0.97 -17 0 0 0.49 0.75 -17 0 0 0.13 0.46 -17 0 0 0.36 0.47 -18 0 0 937.11 39.25 -18 0 0 1001.72 38.99 -18 0 0 985.11 39.58 -18 0 0 1038.06 41.14 -18 0 0 929.03 39.06 -18 0 0 996.26 39.02 -19 0 0 -0.28 0.92 -19 0 0 1.28 0.56 -19 0 0 0.36 0.53 -19 0 0 0.47 0.68 -19 0 0 0.56 0.97 -19 0 0 0.5 0.65 -20 0 0 52.5 2.79 -20 0 0 48.8 3.13 -20 0 0 50.4 2.98 -20 0 0 53.59 4.34 -20 0 0 51.67 3.41 -20 0 0 50.54 2.92 -21 0 0 1.56 1.08 -21 0 0 -0.29 0.71 -21 0 0 0.26 0.7 -21 0 0 -0.2 0.76 -21 0 0 -0.3 0.93 -21 0 0 0.08 0.57 -22 0 0 1633.72 63.36 -22 0 0 1531.4 63.89 -22 0 0 1540.88 63.6 -22 0 0 1594.89 65.89 -22 0 0 1633.65 63.59 -22 0 0 1648.88 64.32 -23 0 0 0.31 0.99 -23 0 0 0.13 0.79 -23 0 0 0.1 0.71 -23 0 0 0.56 0.53 -23 0 0 0.65 1.11 -24 0 0 635.61 26.77 -24 0 0 696.93 27.84 -24 0 0 686.63 27.13 -25 0 0 0.62 1.01 -25 0 0 -0.29 0.78 -25 0 0 -0.99 0.78 -26 0 0 62.29 3.52 -26 0 0 72.73 4.12 -27 0 0 -0.4 0.88 -28 0 0 226.72 10.14 -29 0 0 0.39 0.67 -30 0 0 2.19 0.58 -30 0 0 3.42 0.76 -31 0 0 0.04 0.37 -31 0 0 -0.11 0.44 0 0 1 -0.07 0.16 0 0 -1 0.06 0.18 -1 0 1 0.03 0.16 -1 0 1 0.29 0.27 -1 0 -1 0.04 0.26 -2 0 1 0.16 0.2 -2 0 -1 1.44 0.41 -3 0 -1 0.03 0.23 -3 0 1 -0.07 0.14 -3 0 1 -0.08 0.28 -4 0 -1 0.49 0.33 -4 0 1 0.26 0.26 -5 0 -1 0.8 0.27 -5 0 1 0.8 0.49 -5 0 1 -0.05 0.35 -5 0 -1 -0.19 0.47 -6 0 1 0.6 0.48 -6 0 1 0.39 0.44 -6 0 -1 0.64 0.73 -6 0 -1 0.73 0.45 -7 0 1 0.23 0.45 -7 0 -1 0.3 0.45 -7 0 1 0.41 0.44 -7 0 -1 0.29 0.72 -8 0 1 0.09 0.48 -8 0 1 0.09 0.46 -8 0 -1 0.35 0.49 -8 0 -1 -0.34 0.68 -8 0 1 -0.1 0.47 9 0 -1 0.27 0.22 -9 0 1 0.12 0.57 -9 0 1 -0.1 0.51 -9 0 -1 0.76 0.7 -9 0 1 0.12 0.51 -9 0 -1 0.93 0.56 -9 0 1 -0.32 0.49 -10 0 1 -0.13 0.66 -10 0 -1 -0.21 0.79 -10 0 1 0.14 0.59 -10 0 -1 0.12 0.57 -10 0 1 1.99 0.71 -11 0 1 -0.15 0.69 -11 0 -1 1.41 1.07 -11 0 1 -0.15 0.57 -11 0 -1 0.54 0.65 -11 0 1 0.14 0.55 -12 0 1 -0.49 0.72 -12 0 1 0.93 0.69 -12 0 1 0.1 0.43 -12 0 -1 0.26 0.81 -12 0 1 0.17 0.68 -13 0 1 0.18 0.8 -13 0 -1 0.29 0.93 -13 0 1 0.19 0.64 -13 0 1 0.11 0.44 -13 0 1 0.34 0.61 -13 0 -1 -0.29 0.89 -14 0 -1 0.18 0.75 -14 0 1 0.59 0.73 -14 0 1 1.68 0.76 -14 0 -1 -0.32 0.88 14 0 1 0.22 0.66 -14 0 -1 -0.32 0.78 -14 0 1 0.36 0.7 -15 0 -1 0.2 0.72 -15 0 1 0.86 0.85 -15 0 -1 0.34 1.05 -15 0 1 0.19 0.5 -15 0 1 0.45 0.7 -15 0 -1 -1.72 1.01 -16 0 -1 0.72 1.01 -16 0 -1 0.37 0.85 -16 0 -1 0.2 0.49 -16 0 1 -0.07 0.49 -16 0 -1 -0.06 0.41 -16 0 1 0.15 0.48 -16 0 1 0.23 0.78 -16 0 -1 0.88 0.76 -17 0 -1 -0.38 0.79 -17 0 1 0.73 0.49 -17 0 -1 1.11 0.54 -17 0 -1 1.98 1.28 -17 0 -1 -0.06 0.39 -17 0 1 -0.23 0.47 -17 0 -1 -0.24 0.79 -17 0 1 1.26 0.88 -17 0 -1 0.14 0.47 -17 0 1 0.51 0.54 -17 0 1 0.24 0.49 -17 0 -1 -0.09 0.56 -18 0 1 0.44 0.6 -18 0 -1 -0.41 0.58 -18 0 -1 0.39 0.53 -18 0 1 -0.11 0.61 -18 0 1 -0.09 0.55 -18 0 -1 1.44 0.52 -18 0 1 1.58 0.58 -18 0 -1 1.26 1.17 -18 0 -1 1.02 0.8 -18 0 -1 0.39 0.48 -18 0 1 0.3 0.5 -18 0 1 0.54 0.91 -18 0 -1 0.25 0.85 -18 0 1 2.99 0.75 -19 0 -1 -0.52 0.64 -19 0 -1 -1.23 0.95 -19 0 1 -0.24 0.51 -19 0 1 -0.19 0.65 -19 0 -1 -0.09 0.55 -19 0 1 -0.12 0.61 -19 0 -1 -0.34 0.63 -19 0 -1 -0.54 0.97 -19 0 1 0.86 0.96 -19 0 1 -0.1 0.66 -19 0 -1 1.21 1.12 -20 0 -1 0.29 0.91 -20 0 1 0.34 0.64 -20 0 1 0.31 0.65 -20 0 -1 -0.28 0.83 -20 0 1 -0.3 0.89 -20 0 -1 0.28 0.68 -20 0 -1 0.18 0.61 -20 0 -1 0.12 0.68 -20 0 1 0.13 0.66 -21 0 -1 0.31 1 -21 0 -1 0.07 0.5 -21 0 1 0.35 0.6 -21 0 1 0.33 0.72 -21 0 -1 0.2 0.69 -21 0 1 0.13 0.7 -21 0 -1 -0.13 0.71 -21 0 -1 -0.39 0.79 -21 0 1 0.31 1.01 -21 0 -1 -0.29 0.97 -22 0 1 0.32 1.15 -22 0 -1 -0.29 0.95 -22 0 -1 0.91 0.71 -22 0 -1 0.13 0.73 -22 0 -1 0.4 0.72 -22 0 -1 0.52 0.54 -22 0 1 0.09 0.59 -22 0 -1 0.31 0.99 -23 0 -1 0.31 0.75 -23 0 -1 0.13 0.72 -23 0 -1 0.4 0.78 -23 0 -1 -0.32 1.06 -23 0 1 -0.64 1.03 -24 0 -1 0.31 1.01 -24 0 -1 -0.1 0.68 -24 0 -1 0.78 0.72 -25 0 -1 -0.12 0.77 -25 0 1 -0.69 0.83 -25 0 -1 0.19 0.78 -25 0 -1 0.3 0.98 -26 0 -1 0.42 0.92 -26 0 1 -0.89 0.77 -27 0 -1 -0.64 0.97 -27 0 1 -0.45 0.65 -28 0 -1 -0.45 0.84 -29 0 -1 -0.09 0.68 -29 0 -1 0.14 0.55 -30 0 -1 0.15 0.56 -30 0 -1 0.05 0.45 -30 0 1 -0.62 0.47 -31 0 -1 0.26 0.38 -31 0 -1 -0.07 0.29 -31 0 1 0.03 0.31 0 0 -2 2118.75 82.26 0 0 2 2062.58 82.12 -1 0 2 198.68 8.51 -1 0 2 214.7 8.92 -1 0 2 206.77 8.27 -1 0 -2 208.14 8.78 1 0 -2 194.89 8.4 -1 0 2 196.54 8.94 2 0 2 2.3 0.24 -2 0 -2 1.75 0.65 -2 0 2 1.96 0.62 -2 0 2 1.46 0.67 -2 0 2 1.71 0.39 -3 0 2 879.61 35.29 -3 0 2 892.12 35.13 -3 0 -2 876.48 35.76 -4 0 2 5524.88 214.8 -4 0 -2 5393.07 215.5 -5 0 -2 952.29 35.7 -5 0 2 876.38 35.99 -6 0 2 612.9 25.25 -6 0 -2 627.63 24.95 -7 0 -2 6.21 0.7 -7 0 -2 9.12 0.88 -7 0 2 8.5 1.02 -7 0 2 7.25 0.63 -8 0 -2 765.36 30.86 -8 0 2 803.18 31.61 -8 0 2 774.91 31.01 -8 0 -2 790.96 31.34 -9 0 2 2656.08 110.46 -9 0 -2 2640.39 111.58 -9 0 2 3071.68 110.51 -9 0 2 2733.87 109.87 -9 0 -2 2838.33 110.19 -10 0 2 4145.13 155.62 -10 0 2 3777.21 154.86 -10 0 2 3987.91 155.42 -10 0 -2 3876.98 156.72 -10 0 -2 4008.88 155.22 -11 0 2 208.83 9.09 -11 0 -2 190.17 10.11 -11 0 -2 194.2 8.77 -11 0 2 207.95 9.21 -12 0 2 78.13 4.48 -12 0 -2 71.69 5.32 -12 0 -2 72.11 4.23 -12 0 2 74.53 4.5 -13 0 -2 1778.59 71.85 -13 0 2 1854.82 72.29 13 0 2 1742.8 73.03 -13 0 -2 1783.54 73.81 14 0 2 258.6 13.23 -14 0 -2 240.31 13.78 -14 0 -2 255.59 13.85 -15 0 -2 12.6 1.66 -15 0 2 12.07 1.75 -15 0 -2 8.91 2.14 15 0 2 14.3 2.2 -15 0 -2 9.12 2.07 -16 0 2 26.15 1.61 -16 0 -2 28.09 1.69 -16 0 -2 26.44 3.67 -16 0 -2 24.85 3.54 -16 0 2 28.43 1.74 -16 0 -2 29.22 1.76 -16 0 -2 26.09 1.84 -16 0 2 29.21 1.78 -16 0 2 27.52 2.77 -16 0 -2 22.69 2.48 -16 0 2 25.21 2.07 -17 0 2 343.64 14.23 -17 0 -2 361.79 14.64 -17 0 2 285.26 14.49 -17 0 2 362.79 14.43 -17 0 -2 342.32 14.3 -17 0 -2 343.52 18.1 -17 0 -2 354.34 18.1 -17 0 -2 360.24 14.4 -17 0 2 346.84 14.35 -17 0 2 359.33 14.34 -17 0 -2 359.91 16.05 -17 0 2 346.3 16.29 -17 0 2 350.3 14.97 -18 0 2 147.22 6.55 -18 0 -2 149.26 6.95 -18 0 2 152.51 6.83 -18 0 2 152.21 6.75 -18 0 -2 148.63 6.66 -18 0 -2 137.42 9.73 -18 0 -2 122.38 9.49 -18 0 -2 154.84 8.29 -18 0 2 149.71 8.49 -18 0 2 147.47 6.67 -18 0 2 153.86 7.35 -18 0 2 145.05 6.69 -18 0 -2 161.27 6.79 -19 0 -2 562.3 22.55 -19 0 2 524.12 22.3 -19 0 2 561.24 22.26 -19 0 -2 551.29 22.2 -19 0 -2 538.66 26.29 -19 0 2 539.88 22.21 -19 0 -2 569.06 22.28 -19 0 2 533.76 24.44 -19 0 -2 491.29 23.79 -19 0 2 532.98 22.17 -19 0 2 534.85 22.03 -19 0 -2 538.96 22.77 -19 0 2 566.48 22.97 -20 0 -2 118.99 5.81 -20 0 -2 109.67 8.68 -20 0 2 122.65 5.87 -20 0 -2 132.58 5.96 -20 0 2 122.61 7.72 -20 0 -2 113.06 7.26 -20 0 2 131.08 5.91 -20 0 2 131.53 6.03 -20 0 2 129.28 6.56 -20 0 -2 126.65 6.41 -20 0 -2 126.44 6.15 -20 0 2 123.46 5.86 -21 0 -2 15.42 1.43 -21 0 2 12.03 1.36 -21 0 -2 14.54 1.43 -21 0 2 13.52 1.81 -21 0 2 16.53 1.43 -21 0 2 15.76 1.52 -21 0 -2 16.58 1.84 -21 0 -2 13.13 1.53 -21 0 2 17.07 2.52 -22 0 -2 48.02 2.83 -22 0 2 43.9 2.74 -22 0 2 38.88 4 -22 0 2 45.37 2.7 -22 0 2 45.87 2.84 -22 0 2 49.49 3.37 -22 0 -2 43.85 3.18 -22 0 -2 42.73 2.92 -22 0 -2 47.33 2.76 -23 0 -2 106.07 5.19 -23 0 -2 109 5.22 -23 0 2 104.89 5.18 -23 0 2 120.39 5.99 -23 0 2 100.3 5.07 -23 0 2 102.11 5.23 -23 0 -2 106.27 5.47 -23 0 -2 106.58 5.69 -23 0 2 101.65 6.93 -24 0 2 165.76 7.95 -24 0 2 162.49 7.15 -24 0 -2 146.31 7.44 -24 0 -2 161.78 7.27 -24 0 2 151.23 7.18 -24 0 -2 160.68 7.25 -24 0 -2 159.07 7.77 -25 0 2 2.79 0.81 -25 0 -2 5.36 1.24 -25 0 2 4.52 1.28 -25 0 -2 5.12 1.09 -25 0 2 4.16 0.95 -25 0 -2 5.59 1.07 -26 0 -2 751.93 30.57 -26 0 2 717.11 29.82 -26 0 2 792.55 30.74 -27 0 2 21.63 1.5 -27 0 -2 24.63 2.02 -27 0 2 23.17 2.02 -28 0 2 15.23 1.11 -28 0 -2 11.05 1.35 -28 0 2 12.47 1.48 -29 0 2 2.2 0.74 -29 0 -2 1.65 0.75 -29 0 2 1.15 0.52 -29 0 -2 1 0.56 -30 0 -2 18.06 1.39 -30 0 -2 21.21 1.25 -30 0 2 17.32 1.18 -31 0 -2 28.9 1.43 0 0 -3 -0.09 0.58 0 0 3 -0.24 0.51 0 0 3 -0.15 0.75 -1 0 3 0.41 0.68 -1 0 3 -0.44 0.8 1 0 3 0.08 0.48 -1 0 3 0.72 0.5 -1 0 3 0.22 0.29 -1 0 -3 -0.22 0.58 1 0 -3 0.3 0.42 -2 0 3 1.01 0.7 -2 0 3 0.72 0.76 -2 0 3 0.34 0.52 -2 0 3 -0.05 0.32 -2 0 -3 0.13 0.62 3 0 -3 0.1 0.3 -3 0 3 0.74 0.77 -3 0 -3 0.58 0.7 -3 0 3 0.24 0.33 -3 0 3 0.54 0.53 -4 0 3 0.3 0.5 -4 0 3 -0.07 0.4 -4 0 -3 0.32 0.69 -5 0 3 0.19 0.5 -5 0 3 0.25 0.49 -5 0 -3 0.36 0.86 5 0 3 0.13 0.11 -6 0 3 0.28 0.52 -6 0 -3 0.8 0.95 -6 0 -3 0.19 0.44 -7 0 -3 0.44 0.85 -7 0 3 -0.12 0.64 -7 0 3 0.54 0.51 -7 0 -3 -0.07 0.42 -8 0 3 0.25 0.67 -8 0 3 -0.12 0.56 -8 0 -3 0.48 0.45 -9 0 3 -0.14 0.67 -9 0 -3 -0.17 0.4 -9 0 -3 -0.09 0.46 -10 0 3 0.59 0.79 -10 0 -3 0.24 0.35 -10 0 -3 0.21 0.5 -11 0 -3 -0.32 0.99 -11 0 3 0.65 0.78 11 0 3 0.3 0.89 -11 0 -3 -0.37 0.59 12 0 3 1.29 1.08 -12 0 -3 0.35 1.13 -12 0 3 0.18 0.8 12 0 -3 0.27 0.49 -12 0 -3 -0.14 0.53 -13 0 -3 0.38 1.07 -13 0 3 0.79 0.85 13 0 3 1.02 1.15 -13 0 -3 0.77 0.61 -14 0 -3 -0.83 1.29 -14 0 3 0.65 0.93 -14 0 3 1.31 0.95 -14 0 -3 0.44 1.29 14 0 3 -0.36 1.01 -15 0 -3 -0.17 0.4 -15 0 3 1.11 0.68 -15 0 -3 0.45 1.11 -15 0 3 0.13 0.44 -15 0 3 -0.11 0.49 15 0 3 -0.38 0.93 -15 0 -3 0.47 1.24 -15 0 3 0.8 0.5 -15 0 -3 0.86 0.59 -15 0 3 -0.71 0.91 16 0 3 -0.39 0.96 -16 0 -3 0.5 1.32 -16 0 3 0.12 0.71 -16 0 -3 1.46 1.63 -16 0 -3 -0.14 0.52 -16 0 3 -0.07 0.52 -16 0 3 -0.3 0.56 -16 0 3 0.76 0.92 -16 0 -3 0.81 0.73 -16 0 3 0.08 0.5 -16 0 -3 0.37 0.55 -16 0 -3 -0.19 0.42 -17 0 -3 0.2 0.53 -17 0 -3 0.76 0.53 -17 0 -3 1.06 1.56 -17 0 -3 -0.52 1.18 -17 0 3 0.26 0.77 -17 0 3 0.9 0.54 -17 0 -3 0.92 0.6 -17 0 3 0.39 0.53 -17 0 3 0.22 0.6 -17 0 -3 0.44 0.7 -17 0 3 0.55 0.91 -17 0 3 -0.17 0.56 -17 0 3 -0.08 0.52 -18 0 -3 0.9 0.54 -18 0 -3 0.21 0.6 -18 0 -3 -0.55 1.71 -18 0 3 0.71 0.86 -18 0 -3 0.55 1.44 -18 0 -3 -0.16 0.63 -18 0 3 -0.32 0.61 -18 0 3 0.07 0.57 -18 0 3 -0.79 0.82 -18 0 -3 1.15 0.93 -18 0 3 0.87 1.15 -18 0 3 0.72 0.69 -18 0 3 0.18 0.57 -19 0 -3 0.08 0.54 -19 0 -3 0.45 0.67 -19 0 -3 -0.57 1.41 -19 0 3 0.15 0.9 -19 0 -3 -0.18 0.71 -19 0 3 0.09 0.71 -19 0 3 0.86 0.72 -19 0 3 -1.04 0.84 -19 0 -3 0.95 0.8 -19 0 3 0.31 1.07 -19 0 3 -0.34 0.87 -19 0 3 2.02 0.75 -20 0 3 -0.71 0.86 -20 0 -3 0.09 0.58 -20 0 -3 -0.12 0.68 -20 0 3 0.45 0.68 -20 0 -3 -0.09 0.71 -20 0 -3 0.42 0.92 -20 0 3 0.32 0.93 -20 0 3 -0.1 0.9 -20 0 -3 -0.58 1.61 -20 0 3 0.2 0.64 -20 0 3 -0.32 0.94 -21 0 -3 -0.09 0.66 -21 0 -3 -0.5 0.87 -21 0 -3 0.29 0.67 -21 0 3 0.09 0.65 -21 0 3 0.33 0.89 -21 0 -3 0.29 0.87 -21 0 3 -0.1 0.89 -21 0 3 -0.98 1.29 -21 0 -3 1.13 1.4 -21 0 3 -0.11 0.63 -22 0 3 -0.11 0.65 -22 0 3 0.33 0.99 -22 0 -3 1.19 0.99 -22 0 3 -0.3 0.87 -22 0 3 -0.99 1.11 -22 0 -3 0.29 0.68 -22 0 3 -0.19 0.7 -22 0 -3 0.38 0.73 -22 0 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150.93 7.8 -22 -2 2 180.53 8.62 -22 2 2 183.04 8.83 -22 2 -2 185.83 8.6 -22 2 -2 183.44 10.27 -22 -2 2 192.1 9.98 -22 2 2 184.4 10.4 -22 -2 2 182.69 7.8 -22 -2 -2 188.98 7.98 -22 -2 2 180.66 8.03 -22 -2 -2 183.84 8.07 -23 2 -2 105.24 5.18 -23 -2 -2 108.13 5.75 -23 -2 2 100.73 5.59 -23 -2 -2 103.71 5.16 -23 -2 2 103.43 5.14 -23 2 -2 110.07 5.65 -23 2 2 113.95 5.92 -23 -2 2 112.25 5.28 -23 2 2 107.57 5.43 -23 2 -2 103.48 5.66 -23 -2 2 107.65 4.95 -23 -2 -2 103.42 5.03 -24 2 -2 17.14 1.85 -24 2 2 15.89 1.64 -24 2 -2 17.53 1.51 -24 -2 2 15.38 1.46 -24 -2 -2 18.42 1.55 -24 -2 2 18.51 1.89 -24 -2 -2 18.02 1.98 -24 -2 2 15.03 1.55 -24 -2 -2 12.67 1.49 -24 2 -2 16.99 1.77 -24 2 2 16.73 1.92 -24 -2 2 17.57 1.56 -25 2 -2 32.13 2.47 -25 -2 2 43.25 2.69 -25 -2 -2 48.92 2.8 -25 2 2 49.3 3.24 -25 2 -2 42.36 2.88 -25 -2 2 45.97 3.01 -25 -2 2 44.4 2.64 -25 -2 -2 49.23 2.5 -25 2 -2 39.21 2.89 -25 -2 -2 44.38 3.08 -25 -2 2 44.06 2.59 -25 -2 -2 49.24 2.67 -26 -2 -2 55.98 3.08 -26 -2 2 53.21 3.03 -26 2 -2 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3 350.27 14.78 -8 -2 3 352.62 14.95 -8 2 -3 359.59 16.57 8 -2 -3 346.52 15.3 -8 -2 -3 317.79 14.76 -9 -2 3 19.27 1.88 -9 2 -3 20.98 2.1 -9 -2 3 20.5 1.82 -9 2 3 24.32 1.92 -9 -2 -3 15.68 1.62 9 -2 -3 15.45 1.85 10 -2 -3 394.68 16.97 -10 -2 -3 368.68 16.33 -10 -2 3 383.01 16.88 -10 2 3 392.66 16.74 -10 -2 3 395.07 16.8 -10 2 -3 399.66 17.02 -10 -2 -3 385.48 18.8 -11 -2 -3 74.4 4.02 11 -2 -3 79.12 4.57 -11 -2 3 81.81 4.74 -11 -2 3 83.17 4.71 -11 2 3 73.62 4.54 -11 2 -3 80.96 4.8 -11 -2 -3 80.41 6.13 -12 -2 -3 49.82 4.84 12 -2 -3 51.81 3.31 -12 2 -3 47.99 4.78 -12 -2 3 54.42 3.65 -12 2 3 54.08 3.62 -12 2 3 46.17 3.41 -12 2 -3 48.51 3.64 -12 -2 3 48.7 3.57 -12 2 -3 55.22 3.45 -13 2 -3 155.26 6.49 -13 -2 -3 132.82 9.43 -13 2 -3 142.91 9.62 -13 2 3 161.21 8.28 -13 -2 3 150.38 7.93 -13 2 -3 144.52 8 -13 -2 3 144.46 6.44 -13 -2 3 147.64 6.59 -13 2 -3 162.71 6.85 -14 2 -3 1.45 0.98 -14 2 3 -0.07 0.69 -14 -2 3 1.46 0.47 -14 -2 -3 1.54 0.53 -14 2 -3 0.63 0.55 -14 2 -3 0.82 0.46 -14 -2 -3 0.93 1.14 -14 -2 -3 0.46 1.37 -14 -2 3 2 0.44 -14 -2 -3 1.33 0.43 -14 -2 3 2.44 1.09 -14 2 3 1.01 0.97 -14 2 -3 1.44 1.48 -15 -2 3 59.64 3 -15 -2 -3 61.39 3.1 -15 2 -3 67.31 4.69 -15 2 3 53.4 3.06 -15 -2 -3 51.42 3.29 -15 -2 -3 63.64 3.2 -15 -2 3 56.99 3.02 -15 2 -3 70.4 3.48 -15 -2 -3 61.28 3.2 -15 2 -3 63.14 3.05 -15 -2 -3 66.42 6.04 -15 2 -3 56.27 5.87 -15 -2 -3 61.72 3.08 -15 -2 3 61.13 3.06 -15 -2 3 65.6 4.47 -15 2 3 62.46 4.64 -15 2 -3 68.33 3.49 -15 -2 3 58.91 3.39 -16 -2 3 37.16 2.05 -16 -2 -3 35.68 2.11 -16 2 3 34.69 2.66 -16 2 -3 36.24 3.48 -16 -2 -3 30.91 2.32 -16 2 3 35.55 2.17 -16 -2 3 36.29 2.08 -16 2 3 35.25 2.05 -16 -2 -3 40.2 2.26 -16 -2 3 32.8 2.05 -16 2 -3 36.89 2.4 -16 -2 -3 37.48 2.25 -16 -2 -3 36.42 2 -16 2 -3 39.18 2.12 -16 -2 -3 26 3.93 -16 2 -3 43.72 5.08 -16 -2 -3 35.58 2.11 -16 -2 3 37.28 2.12 -16 2 3 32.3 3.38 -16 -2 3 34.06 3.2 -16 2 -3 35 2.41 -16 -2 3 31.57 2.35 -17 -2 3 338.89 14.16 -17 -2 -3 347.15 14.27 -17 2 3 334.68 15.04 -17 2 -3 335.91 16.48 -17 -2 -3 314.91 14.53 -17 2 3 352.41 14.32 -17 -2 3 329.29 14.2 -17 2 3 350.78 14.23 -17 -2 3 329.93 14.21 -17 -2 -3 344.91 14.43 -17 -2 -3 364.53 14.41 -17 2 -3 363.77 14.76 -17 -2 -3 331.92 14.09 -17 2 -3 346.37 14.25 -17 -2 -3 306.12 18.12 -17 2 -3 345.25 18.99 -17 -2 -3 359.24 14.3 -17 -2 3 345 14.27 -17 2 3 352.85 16.7 -17 -2 3 368.71 16.34 -17 2 -3 340.79 14.7 -17 -2 3 345.36 14.76 -18 2 -3 245.7 11.11 -18 -2 3 256.28 10.6 -18 -2 -3 247.06 10.66 -18 2 3 256.35 10.66 -18 -2 3 251.25 10.67 -18 2 3 244.62 10.69 -18 2 -3 251.77 13.03 -18 2 3 246.94 11.5 -18 -2 -3 252.67 10.78 -18 -2 3 234.21 10.62 -18 -2 -3 256.94 10.92 -18 2 -3 261.9 10.71 -18 -2 -3 235.95 10.51 -18 -2 -3 219.44 14.19 -18 2 -3 277.06 15.78 -18 -2 -3 271.96 10.78 -18 -2 3 251.67 10.7 -18 2 3 252.75 13.14 -18 -2 3 249 12.57 -18 -2 3 257.42 11.24 -18 2 -3 250.48 11.16 -19 2 -3 605.27 24.72 -19 -2 3 600.19 24.14 -19 2 -3 576.87 26.82 -19 2 3 593.16 25.14 -19 -2 3 605.73 24.26 -19 2 3 625.02 24.26 -19 -2 -3 576.42 24.2 -19 2 3 612.74 24.27 -19 -2 3 625.66 24.53 -19 2 3 572.03 24.47 -19 -2 -3 611.6 24.5 -19 -2 -3 615.11 24.37 -19 -2 -3 540.3 24.07 -19 2 -3 582.69 24.25 -19 -2 -3 549.17 28.39 -19 2 -3 658.01 30.26 -19 -2 3 592.31 24.26 -19 -2 -3 616.72 24.31 -19 -2 3 578.37 26.3 -19 2 3 576.39 26.78 -19 -2 3 622.31 24.92 -19 2 -3 601.04 24.79 -20 2 -3 2.24 0.83 -20 -2 3 3.37 0.93 -20 2 3 5.12 1.11 -20 -2 3 1.36 0.7 -20 2 3 2.86 1.11 -20 -2 3 9.26 1.34 -20 2 3 10.55 1.36 -20 -2 -3 1.68 0.6 -20 -2 -3 1.62 0.68 -20 2 -3 2.46 1.81 -20 2 -3 3.82 1.96 -20 -2 3 2.01 0.98 -20 2 -3 2.17 0.99 -20 -2 -3 4.54 0.87 -20 -2 3 3.73 0.78 -20 -2 -3 2.84 0.76 -20 -2 3 0.3 0.97 -20 2 3 3.28 0.92 -21 2 -3 0.48 0.65 -21 -2 -3 1.08 0.75 -21 -2 3 0.53 0.72 -21 -2 3 1.52 0.64 -21 -2 -3 0.29 0.54 -21 2 -3 2.37 1.65 -21 2 -3 -0.63 1.65 -21 -2 3 1.18 0.94 -21 2 -3 0.14 0.89 -21 -2 3 0.6 1.01 -21 2 -3 -0.33 0.91 -21 -2 -3 0.18 0.72 -21 -2 3 1.18 0.71 21 -2 3 0.6 0.71 -21 2 3 0.7 0.85 -22 2 -3 56.16 3.69 -22 2 3 62.34 3.53 -22 -2 3 67.48 3.51 -22 -2 -3 64.46 3.35 -22 -2 3 57.53 3.25 -22 -2 3 58.51 3.7 22 -2 3 54.52 3.22 -22 2 -3 47.17 5.77 -22 2 -3 59.62 3.63 -22 2 -3 54.12 4.71 -22 -2 3 51.98 4.56 -22 -2 3 63.54 3.44 -22 -2 -3 57.94 3.39 -22 -2 3 59.55 3.13 -22 -2 -3 63.62 3.22 -23 -2 3 105.77 4.7 -23 -2 -3 105.54 5.46 23 -2 3 96.44 4.77 -23 -2 -3 96.16 4.66 -23 -2 3 100.63 4.83 -23 -2 -3 101.83 4.83 -23 -2 3 104.11 5 -23 2 3 98.49 5.05 -23 -2 3 94.53 4.9 -23 -2 -3 90.09 4.87 -23 2 -3 98.43 5.32 -23 -2 3 93.73 5.22 -23 2 -3 95.2 5.18 -24 2 3 15.8 1.56 -24 -2 3 16.08 1.72 -24 2 -3 13.21 1.55 -24 -2 3 13.56 1.49 -24 2 -3 13.57 1.67 -24 -2 -3 18.25 1.91 24 -2 3 13.24 1.25 -24 -2 3 13.8 1.41 -24 -2 -3 15.93 1.47 -24 -2 3 15 1.4 -24 -2 -3 14.41 1.4 -25 2 -3 229.99 10.62 -25 -2 3 240.8 10.77 -25 -2 3 262.41 10.52 -25 2 3 224.52 10.48 -25 -2 -3 248.8 10.94 -25 2 -3 226.98 10.77 -25 -2 3 246.2 10.34 -25 -2 -3 248.29 10.36 -25 -2 3 239.9 10.45 -25 -2 -3 243.25 10.46 -26 -2 3 0.16 0.59 -26 -2 -3 0.58 0.68 -26 -2 -3 1.09 0.44 -26 -2 3 0.08 0.79 -26 -2 -3 0.37 0.89 -26 -2 3 1.53 0.79 -26 2 -3 0.1 0.69 -26 2 -3 0.59 0.79 -26 -2 -3 1.08 0.63 -26 -2 3 1.08 0.65 -27 -2 -3 5.01 1.01 -27 2 -3 4.79 0.86 -27 -2 3 4.89 0.78 -27 -2 -3 4.13 0.77 -27 -2 3 4.9 0.87 -27 -2 3 5.98 0.77 -27 -2 -3 5.61 0.77 -28 2 -3 0.57 0.53 -28 -2 -3 0.09 0.64 -28 -2 3 0.22 0.46 -28 -2 -3 -0.17 0.48 -28 -2 3 -0.7 0.64 -29 -2 -3 25.43 1.66 -29 -2 -3 22.4 1.35 -29 -2 3 25.64 1.44 -30 -2 -3 44.46 2.24 0 2 4 13.34 1.6 0 -2 4 10.21 1.49 0 -2 -4 3.43 1.21 0 2 4 2.96 0.57 0 -2 4 3.17 0.84 0 -2 4 2.71 0.77 1 -2 4 264.76 10.98 -1 -2 4 274.01 11.13 -1 -2 -4 262.55 12.44 1 -2 -4 235.28 11.91 1 -2 4 238.87 11.87 -1 -2 4 252.49 11.91 -1 2 4 225.43 11.63 1 2 4 227.94 11.76 1 -2 4 249.42 11.33 -1 -2 4 239.63 11.29 1 -2 -4 250.38 12.03 1 2 4 254.85 10.77 -1 2 4 267.36 10.81 -1 2 4 251.17 10.2 2 -2 4 2.64 0.65 2 -2 -4 1.55 0.89 -2 -2 4 1.96 0.9 -2 2 4 2.47 0.92 2 2 4 1.91 0.6 2 -2 4 1.83 0.7 -2 -2 4 2.82 0.85 2 2 4 2.21 1.23 2 -2 -4 3 1.2 -2 2 4 2.93 0.48 -2 2 4 2.27 1.18 3 2 4 66.94 3.62 -3 -2 4 75.57 4.2 -3 -2 -4 72.19 4.59 3 -2 4 74.28 4.16 3 -2 -4 69.31 4.66 -3 2 4 64.51 3.39 -3 2 4 69.57 4.88 3 2 4 66.43 5.07 3 -2 4 76.37 3.74 3 -2 -4 76.79 4.47 -4 2 4 9.93 1.01 -4 2 4 5.5 1.5 -4 -2 -4 7.21 1.43 4 -2 -4 5.99 1.34 -4 2 -4 7.55 1.52 4 -2 4 7.48 0.94 -4 -2 -4 9.72 1.85 4 -2 -4 8.46 1.3 5 -2 -4 68.12 4.61 -5 -2 -4 63.06 4.32 -5 2 4 69.56 3.65 -5 2 4 62.7 4.7 -5 2 -4 67.56 4.79 -5 -2 -4 79.12 5.4 -5 -2 4 66.42 4.01 5 -2 -4 69.03 4.03 -6 -2 -4 33.04 3.54 -6 -2 4 30.59 2.22 -6 -2 -4 30.67 2.71 6 -2 -4 40.77 3.25 -6 2 4 31.91 2.24 -6 2 -4 34.91 3.38 -6 2 4 32.76 2.44 -6 -2 4 29.27 2.36 -7 -2 -4 33.89 3.63 -7 -2 -4 40.89 3.07 7 -2 -4 40.76 3.35 -7 2 4 37.03 2.62 -7 2 -4 40.05 3.74 -7 -2 4 38.93 2.8 -7 2 4 37.65 2.72 -8 -2 -4 433.06 19.9 -8 -2 -4 387.09 17.81 8 -2 -4 406.83 18.39 -8 2 -4 391.76 19.21 -8 2 4 407.2 17.55 -8 2 4 431.07 17.65 -8 -2 4 404.51 17.61 9 -2 -4 209.27 10.39 -9 -2 -4 209.43 9.83 -9 2 4 192.11 9.67 -9 -2 4 199.12 9.77 -9 -2 4 215.65 9.83 -9 2 4 224.19 9.84 -9 2 -4 188.31 11.21 10 -2 -4 508.29 22.28 -10 -2 -4 456.84 21.46 -10 2 4 529.51 21.95 -10 -2 4 530.38 22.01 -10 -2 4 508.09 21.83 -10 2 4 523.63 21.85 -10 2 -4 497.31 23.85 -10 2 -4 535.52 22.02 11 -2 -4 70.76 4.65 -11 -2 -4 59.74 3.88 -11 2 -4 70.03 5.92 -11 -2 4 71.48 4.46 -11 2 4 76.62 4.49 -11 2 -4 71.36 4.52 -11 2 4 69.12 4.47 -11 -2 4 78.98 4.67 -12 -2 -4 61.25 5.8 12 -2 -4 63.27 4.28 -12 2 4 61.2 4.38 -12 -2 4 71.47 4.51 -12 2 -4 73.69 4.54 -12 2 -4 65.05 3.38 -12 -2 4 65.12 4.32 -12 2 4 64.74 4.28 -12 2 4 62.78 3.63 -13 2 -4 86.9 3.95 -13 -2 -4 90.72 7.21 -13 2 4 84.95 4.55 -13 -2 4 96.2 5.52 -13 2 4 85.67 5.33 -13 2 4 85.66 5.45 -13 -2 4 85.29 5.38 -13 2 -4 85.83 5.36 -13 2 4 83.34 4.1 -13 -2 -4 77.97 4.4 -13 -2 4 82.54 3.92 -13 -2 -4 84.76 4.26 -13 2 -4 87.52 4.26 -13 -2 -4 86.75 4.07 -14 -2 4 111.25 5.2 -14 2 -4 123.37 6.93 -14 2 4 125.87 5.45 -14 -2 -4 103.56 5.66 -14 -2 -4 123.82 5.57 -14 2 -4 135.05 5.7 -14 -2 -4 112.66 5.35 -14 -2 -4 106.14 5.74 -14 -2 -4 109.17 8.58 -14 2 -4 108.63 8.66 -14 2 4 133.61 7.04 -14 2 4 120.13 5.94 -14 -2 4 128.32 6.99 -14 -2 -4 120.18 5.26 -14 -2 4 114.17 5.22 -14 2 4 121.23 7.04 -14 -2 4 120.31 6.89 -14 -2 4 106.13 5.46 -15 -2 4 112.25 5.1 -15 -2 -4 109.41 5.64 -15 -2 4 115.61 5.14 -15 2 4 115.84 5.12 -15 2 -4 111.42 6.82 -15 2 4 106.73 5.78 -15 2 4 114.22 5.3 -15 -2 4 111.9 5.3 -15 2 4 117.72 5.47 -15 -2 -4 117.91 5.42 -15 -2 -4 118.25 5.33 -15 2 -4 113.34 5.47 -15 -2 -4 105.17 5.63 -15 -2 -4 113.02 8.76 -15 -2 -4 118.08 8.85 -15 2 4 114.93 5.87 -15 2 -4 101.22 8.6 -15 -2 -4 119.12 5.17 -15 -2 4 111.37 5.13 -15 2 4 114.98 7.02 -15 -2 4 107.35 6.69 -15 -2 4 99.16 5.36 -16 -2 4 338.57 14.15 -16 -2 -4 332.26 14.72 -16 2 -4 355.86 16.44 -16 2 4 330.43 14.95 -16 -2 4 349.85 14.2 -16 2 4 356.05 14.19 -16 -2 -4 332.21 14.19 -16 2 4 358.58 14.36 -16 2 4 348.9 14.55 -16 2 -4 344.12 14.59 -16 -2 -4 332.01 14.39 -16 -2 -4 359.15 14.42 -16 -2 -4 327.88 14.74 -16 -2 -4 329.41 18.71 -16 2 -4 322.8 18.96 -16 2 4 327.46 14.94 -16 -2 -4 352.67 14.2 -16 -2 4 341.5 14.18 -16 -2 4 316.54 14.5 -16 -2 4 378.13 16.45 -16 2 4 350.79 16.48 -17 -2 -4 15.91 1.32 -17 2 -4 14.38 2.27 -17 2 4 14.09 1.73 -17 -2 -4 13.16 1.55 -17 2 4 19.69 1.63 -17 -2 4 14.26 1.29 -17 2 4 14.24 1.25 -17 2 -4 20.75 1.73 -17 -2 -4 14.36 1.39 -17 -2 -4 14.08 1.35 -17 -2 4 11.82 1.15 -17 2 -4 16.11 1.6 -17 -2 4 14.73 1.55 -17 -2 -4 15.55 3.2 -17 2 -4 15.91 3.4 -17 2 4 17.6 1.89 -17 -2 4 11.7 2.05 -17 2 4 13.9 2.34 -17 -2 -4 15.76 1.31 -17 -2 4 14.62 1.27 -17 -2 4 16.17 1.3 -18 -2 4 1.49 0.66 -18 -2 -4 3 0.75 -18 -2 -4 6.15 1.09 -18 2 4 1.74 1.02 -18 2 -4 5.6 1.59 -18 -2 4 2.18 0.74 -18 2 4 1.32 0.73 -18 -2 -4 2.59 0.82 -18 -2 -4 1.39 0.52 -18 -2 -4 2.58 0.74 -18 2 -4 2.09 0.88 18 -2 4 4.96 2.08 -18 -2 -4 0.6 1.49 -18 2 -4 1.98 1.85 -18 2 -4 3.23 0.91 -18 -2 4 2.76 0.99 -18 2 4 2.46 1.12 -18 -2 4 1.85 0.64 -18 -2 -4 2.47 0.71 -18 -2 4 2.97 1.27 -18 2 4 4.83 1.61 -18 2 4 2.27 0.9 -19 2 -4 2.26 0.88 -19 -2 4 1.38 0.67 -19 -2 -4 1.01 0.78 -19 -2 -4 1.36 0.67 -19 -2 4 0.84 0.8 -19 2 4 1.38 0.77 -19 2 4 9.75 1.38 -19 -2 4 1.59 0.81 -19 2 -4 2.85 1.28 -19 2 4 1.62 1.04 -19 -2 -4 1.33 0.51 -19 2 -4 1.41 0.78 -19 -2 -4 1.75 0.68 -19 -2 -4 1.8 1.48 -19 2 -4 8.12 2.67 -19 2 -4 2.98 0.93 -19 -2 4 2.36 0.89 -19 2 4 2.21 1.15 -19 -2 4 2.76 0.7 -19 -2 -4 1.91 0.63 -19 -2 4 1.53 1.14 -19 2 4 1.99 1.2 -19 2 4 1.29 0.82 -20 2 -4 132.78 6.73 -20 -2 4 131.49 6.26 -20 2 4 147.03 7.18 -20 -2 -4 132.08 6.45 -20 -2 4 140.48 6.52 -20 2 4 142.39 6.37 -20 -2 4 142.35 6.39 -20 -2 -4 141.41 6.3 -20 -2 4 154.83 6.73 -20 2 4 154.03 6.53 -20 2 4 142.57 6.65 -20 -2 -4 136.61 6.46 -20 -2 -4 122.58 6.13 -20 -2 -4 102.16 9.35 -20 2 -4 113.51 10.24 -20 2 4 140.65 7.17 -20 2 -4 154.79 11.25 -20 -2 4 141.35 6.85 -20 -2 -4 148.91 6.4 -20 -2 4 139.8 6.36 -20 -2 4 151.01 8.53 -20 2 4 124.65 8.27 -20 2 -4 138.16 6.74 -21 2 -4 2.9 0.87 -21 -2 -4 1.95 0.67 -21 -2 4 1.52 0.74 -21 2 4 1.29 0.98 -21 -2 -4 2.31 0.78 -21 -2 4 2.5 0.92 -21 -2 4 2.65 0.72 -21 -2 4 7.38 1.18 -21 2 4 8.55 1.24 -21 -2 -4 1.08 0.67 -21 2 4 1.56 1.12 -21 2 -4 0.67 1.52 -21 2 -4 2.28 0.89 -21 -2 4 2.31 0.99 -21 -2 -4 1.2 0.66 -21 -2 4 2.08 0.72 -21 -2 4 2.49 1.3 -21 2 4 1.34 1.13 -21 2 4 2.14 0.9 -21 2 -4 3.25 1.82 -22 -2 -4 67.63 3.51 -22 2 -4 66.97 3.87 -22 -2 4 68.38 3.57 -22 -2 -4 73.67 3.66 -22 -2 4 77.87 3.72 -22 -2 4 66.39 3.72 -22 -2 -4 69.78 3.75 22 -2 4 70.43 3.78 -22 2 4 71.54 3.92 -22 -2 4 75.38 3.94 -22 2 -4 66.32 3.91 -22 -2 4 68.63 4.04 -22 2 4 79.49 4.54 -23 -2 -4 64.9 3.16 23 -2 4 64.19 3.38 -23 -2 -4 64.91 3.3 -23 -2 4 64.22 3.31 -23 2 -4 56.81 3.51 -23 -2 4 57.72 3.59 -23 2 4 60.39 3.91 -23 -2 -4 59.08 3.33 -23 -2 4 62.88 3.39 -23 -2 4 61.77 3.49 -23 -2 4 63.4 3.24 -23 2 4 57.84 3.47 -24 -2 4 40.99 2.51 -24 2 4 39.79 2.52 -24 -2 -4 37.22 2.23 -24 -2 4 38.21 2.25 -24 -2 -4 32.46 2.2 -24 -2 4 34.76 2.25 -24 2 -4 35.41 2.44 -24 -2 -4 36.5 2.7 24 -2 4 39.86 2.31 -24 2 -4 35.58 2.59 -25 -2 -4 6.62 1.32 -25 2 -4 9.2 1.14 -25 -2 4 9.04 0.99 -25 -2 -4 8.07 0.99 -25 2 -4 8.69 1.28 -25 -2 4 10.1 1.2 25 -2 4 9.71 1 -25 2 4 7.55 1.07 -25 -2 4 7.26 0.95 -25 -2 -4 6.32 0.9 -26 -2 -4 4.21 1.07 -26 2 -4 3.47 0.76 -26 -2 -4 2.82 0.63 -26 2 -4 2.17 0.8 -26 2 -4 2.7 0.7 -26 -2 4 0.91 0.72 26 -2 4 2.72 0.54 -26 -2 -4 3.01 0.66 -27 -2 -4 0.57 0.76 -27 -2 -4 -0.27 0.47 -27 -2 4 -0.76 0.66 -27 2 -4 -0.28 0.61 -27 2 -4 -0.12 0.49 -28 -2 4 67.82 3.05 -28 -2 -4 59.08 2.89 -28 -2 -4 66.71 3.31 -29 -2 -4 0.23 0.45 0 2 -5 57.86 3.93 0 -2 5 60.59 4.41 0 2 5 58.67 4.33 0 -2 -5 60.89 4.54 0 2 5 53.91 4.6 0 2 5 55.44 3.29 0 -2 5 56.91 3.83 1 2 -5 1446.51 59.04 -1 2 -5 1452.08 59.48 -1 -2 5 1402.99 59.86 1 -2 5 1425.04 60.04 -1 2 5 1572.7 60.08 1 -2 5 1588.81 58.53 1 -2 -5 1400.4 59.77 -1 2 5 1404.33 60.39 1 -2 5 1510.8 59.13 1 -2 -5 1451.5 59.96 -1 2 5 1463.25 58.4 1 2 5 1535.17 58.42 -1 -2 5 1446.33 59.06 2 2 -5 420.18 17.6 -2 2 -5 422.82 18.42 -2 -2 5 406.54 18.54 -2 2 5 436.55 18.65 -2 2 5 392.24 18.98 -2 2 5 370.66 16.31 2 -2 -5 407.35 18.63 2 2 5 406.96 17.11 -2 -2 5 432.34 17.86 -2 -2 -5 401.53 18.48 2 -2 5 417.47 17.86 2 -2 5 457.72 17.24 2 -2 -5 394.17 18.2 -3 -2 5 4.65 1.35 3 -2 -5 4.98 1.28 3 2 5 7.3 1.07 3 -2 5 8.95 1.46 -3 -2 5 5.85 1.24 -3 -2 -5 6.99 1.49 3 -2 -5 8.03 1.73 -3 2 5 5.98 1.66 3 2 5 5.88 1.97 -3 2 5 6.07 0.72 3 -2 5 9.32 1.1 -3 2 -5 6.08 1.44 3 2 -5 6.19 1.06 -4 -2 -5 2009.4 79.28 4 -2 -5 1900.04 77.62 -4 -2 5 1857.76 77.96 -4 -2 5 1949.2 77.74 4 2 5 1951.88 77.1 -4 -2 -5 1885.42 78.28 4 -2 5 2015.24 77.73 4 -2 -5 1899.04 78.55 -4 2 5 1882.53 78.8 -4 2 5 1843.17 76.41 4 2 5 1763.51 79.2 4 -2 5 2128.46 76.83 -4 2 -5 1997.76 78.73 5 -2 -5 16.66 1.8 -5 -2 -5 14.13 2.45 -5 -2 5 12.41 1.74 -5 -2 -5 19.9 2.3 5 2 5 16.26 1.62 -5 2 5 17.39 2.5 -5 2 5 16.42 1.4 5 -2 5 14.68 1.37 -5 2 -5 12.19 2.14 -6 -2 -5 106.84 7.21 -6 -2 5 92.3 5.48 -6 -2 -5 104.18 6.33 6 -2 -5 107.47 6.59 -6 2 5 112.9 6.89 -6 2 5 100.27 5.15 6 -2 5 109.31 5.08 -6 2 -5 107.76 7.01 -7 -2 -5 53.12 4.91 -7 -2 -5 48.29 3.88 7 -2 -5 58.99 4.4 -7 2 5 50.39 3.15 -7 2 5 46.78 3.44 -7 -2 5 52.27 3.59 7 -2 5 51.29 2.88 -7 2 -5 51.24 4.6 -8 -2 -5 356.3 17.42 8 -2 -5 331.7 15.95 -8 -2 -5 322.99 15.42 -8 2 5 318.9 14.54 8 -2 5 350.21 14.08 -8 -2 5 325.22 15.01 -8 2 5 341.76 15.04 -8 2 -5 309.63 16.55 -9 -2 -5 1301.55 52.58 -9 -2 -5 1208.44 49.82 9 -2 -5 1247.26 50.58 -9 2 5 1155.9 49.12 -9 2 -5 1290.14 52.19 -9 -2 5 1255.55 49.65 9 -2 5 1236.32 48.42 -9 2 5 1114.02 49.34 -10 2 5 143.55 7.41 -10 -2 5 149.52 7.55 -10 2 5 136.46 7.14 -10 -2 -5 139.28 9.37 10 -2 -5 127.64 7.81 -10 -2 -5 141.71 7.39 -10 2 -5 142.65 7.41 -10 -2 -5 130.69 6.37 -10 2 -5 123.83 8.92 -11 -2 -5 115.6 5.69 -11 2 -5 122.12 6.5 -11 -2 5 110.37 5.01 11 -2 -5 113.64 6.91 -11 -2 -5 111.74 6.14 -11 -2 5 115.24 6.55 -11 2 -5 122.92 8.52 -11 2 5 118.34 6.52 -11 2 -5 111.07 5.32 -11 -2 -5 109.58 5.51 -11 2 5 121.5 5.27 -11 -2 5 108.21 5.11 -11 -2 -5 109.75 5.5 -11 2 5 115.62 6.36 -12 -2 -5 301.25 12.82 -12 2 5 295.73 12.41 -12 -2 5 284.91 12.33 -12 -2 -5 276.46 12.86 -12 2 -5 301.34 12.57 -12 -2 -5 309.02 12.33 -12 -2 -5 306.54 12.78 -12 -2 -5 270 12.92 -12 -2 5 289.58 12.2 12 -2 -5 288.31 14.17 -12 2 -5 281.55 16.29 -12 -2 5 320.1 14.1 -12 2 5 316.66 14.04 -12 2 -5 312.14 13.94 -12 2 5 305.14 13.91 -13 -2 -5 1.47 0.51 -13 -2 -5 0.84 0.64 -13 2 -5 1.62 0.63 -13 2 5 0.19 0.59 -13 -2 5 0.39 0.58 -13 -2 5 0.97 0.43 -13 -2 -5 1.55 0.76 -13 -2 -5 1.11 1.15 -13 2 5 2.13 0.96 -13 -2 -5 1.43 0.81 -13 2 5 3.83 1.18 -13 -2 5 4.45 1.22 -13 2 -5 1.17 0.97 -13 2 5 0.13 0.76 -13 2 -5 1.66 1.78 -14 2 -5 422.17 19.03 -14 -2 5 428.36 17.12 -14 2 5 431.6 17.1 -14 -2 -5 442.89 17.59 -14 2 -5 435.38 17.52 -14 -2 -5 421.7 17.24 -14 2 5 419.05 17.45 -14 2 5 424.81 17.32 -14 -2 5 400.47 17.25 -14 -2 -5 420.68 17.96 -14 -2 -5 423.04 22.2 -14 2 5 413.76 19.02 -14 -2 -5 401.57 17.8 -14 -2 5 399.32 17 -14 2 5 391.54 17.77 -14 -2 5 429 19.21 -14 2 5 424.96 19.14 -15 -2 5 119.24 5.81 -15 2 -5 135.08 7.57 -15 2 5 131.94 6.52 -15 -2 5 131.75 5.8 -15 2 5 134.34 5.79 -15 2 5 130.02 5.99 -15 -2 5 118.58 5.92 -15 2 5 122 6.05 -15 -2 -5 143.21 6.23 -15 2 -5 136.49 6.2 -15 -2 -5 132.89 5.94 -15 -2 -5 126.25 6.5 -15 -2 -5 140.8 10.15 -15 -2 -5 117.57 9.63 -15 -2 5 132.29 7.68 -15 2 5 123.73 7.45 -15 2 5 120.91 6.43 -15 -2 5 131.44 7.65 -15 2 5 130.55 7.6 -15 -2 -5 130.4 6.47 -15 -2 5 120.86 5.69 -16 -2 5 11.03 1.12 -16 2 5 15.86 1.74 -16 -2 5 10.61 1.12 -16 2 -5 10.6 1.84 -16 -2 5 10.74 1.1 -16 2 5 10.96 1.11 -16 -2 -5 13.51 1.18 -16 -2 -5 12.54 1.58 -16 -2 5 11.72 1.3 -16 2 5 11.8 1.32 -16 -2 -5 11.31 1.29 -16 -2 -5 13.88 1.28 -16 2 -5 10.55 1.31 -16 -2 -5 12.86 1.62 -16 -2 -5 9.06 3.04 -16 2 5 10.85 1.59 -16 2 -5 11.79 3.26 -16 -2 5 16.74 2.35 -16 2 5 10.11 1.9 -16 -2 -5 11.71 1.09 -16 -2 5 9.63 1.04 -17 -2 5 46.76 2.58 -17 -2 -5 45.01 3.1 -17 -2 -5 44.4 2.62 -17 2 5 47.8 3.26 -17 -2 5 41.44 2.6 -17 2 -5 49.49 4.15 -17 -2 5 46.41 2.61 -17 2 5 44.91 2.57 -17 -2 -5 43.87 2.54 -17 2 5 59.61 3.04 -17 -2 5 46.14 2.79 -17 2 5 49.23 2.85 -17 2 5 44.83 2.84 -17 -2 -5 51.8 2.88 -17 2 -5 49.9 2.98 -17 -2 -5 41.65 3.05 17 -2 5 52.32 6.18 -17 -2 -5 29.83 4.79 -17 -2 -5 47.74 2.54 -17 -2 5 45.18 2.53 -17 -2 5 48.11 4.12 17 2 5 33.82 4.68 -17 2 5 41.05 3.98 -17 2 -5 46.42 6.02 -17 -2 5 40.85 2.77 -17 2 5 42.86 3.15 -18 -2 -5 64.41 3.85 -18 -2 5 58.68 3.34 -18 2 5 64.49 4 -18 -2 -5 61.53 3.36 -18 2 5 63.13 3.54 -18 -2 5 64.72 3.39 -18 2 5 64.64 3.33 -18 -2 -5 64.07 3.27 -18 2 -5 68.3 3.78 -18 -2 -5 64.69 3.53 -18 -2 -5 62.33 3.84 18 -2 5 67.34 7.07 -18 -2 -5 50.73 6.32 -18 2 -5 54.03 6.6 -18 -2 5 56.23 3.51 -18 2 5 63.13 4.01 -18 2 5 62.58 5.03 -18 -2 -5 64.09 3.26 -18 -2 5 65.98 3.29 -18 -2 5 66.39 3.33 -19 2 5 37.17 2.43 -19 2 5 42.67 2.33 -19 -2 5 38.89 2.3 -19 -2 -5 33.72 2.13 -19 -2 5 32.95 2.23 -19 2 5 43.04 2.97 -19 -2 -5 36.52 2.27 -19 2 -5 34.11 2.54 -19 -2 -5 37.15 2.39 -19 -2 5 34.64 2.19 19 -2 5 27.77 4.57 -19 -2 -5 29.7 4.8 -19 2 -5 27.04 4.72 -19 2 -5 27.66 4.78 -19 -2 5 34.32 2.49 -19 -2 -5 38.94 2.21 -19 -2 5 34.82 2.16 -19 -2 -5 35.28 2.62 -19 2 5 34.06 3.64 -20 -2 -5 18.21 1.84 -20 2 5 16.14 1.9 -20 -2 -5 19.69 1.6 -20 -2 5 19.49 1.59 -20 -2 5 20.16 1.56 -20 2 5 22 1.63 -20 2 5 21.39 1.8 -20 -2 -5 19.14 1.46 -20 2 -5 18.9 1.8 -20 -2 -5 21.82 1.72 -20 2 -5 20.08 1.55 -20 -2 -5 17.11 3.52 -20 2 -5 18.61 4.01 -20 2 -5 15.48 3.48 -20 -2 5 16.73 1.7 -20 2 5 19.33 2.67 -20 2 -5 15.7 1.76 -20 -2 5 18.67 1.52 -20 -2 -5 23.24 1.59 -20 -2 5 20.51 1.54 -21 -2 -5 134.5 6.14 -21 2 -5 129.19 6.45 -21 2 -5 124.98 5.98 -21 -2 5 124.57 5.99 -21 -2 -5 129.37 6 -21 2 5 124.27 6.56 -21 -2 -5 131.5 5.91 -21 -2 5 133.59 5.95 -21 2 -5 121.39 6.33 -21 -2 5 133.54 5.98 -21 -2 5 142.84 6.35 -21 -2 5 129.19 6.01 -21 2 5 135.3 6.01 -21 -2 -5 125.38 5.81 -21 2 5 129.4 6.23 -22 -2 5 7.71 1.27 -22 2 5 6.51 1.26 -22 2 -5 0.43 0.62 22 -2 5 0.62 0.67 -22 2 5 0.95 0.74 -22 -2 5 0.53 0.61 -22 -2 -5 0.15 0.6 -22 2 -5 0.24 0.64 -22 -2 -5 0.42 0.57 -22 -2 5 0.59 0.59 -22 -2 5 0.11 0.96 -22 -2 -5 0.72 0.52 -22 -2 5 0.3 0.65 -23 -2 -5 41.2 2.32 -23 -2 5 46.32 2.5 -23 -2 -5 37.85 2.33 -23 2 -5 42.01 2.46 -23 -2 -5 43.69 2.93 23 -2 5 40.12 2.52 -23 2 5 42.48 2.65 -23 -2 5 41.28 2.64 -24 -2 5 109.05 5.1 -24 -2 -5 103.22 4.81 -24 -2 -5 101.76 4.74 -24 2 -5 102.91 4.91 24 -2 5 105.27 4.98 -24 -2 -5 110.9 5.43 -24 2 5 103.38 5.08 -25 -2 5 12.39 1.23 -25 -2 -5 9.34 0.92 -25 -2 -5 9.81 1.3 25 -2 5 8.96 1.01 -25 2 5 10.28 1.15 -25 2 -5 9.34 1.01 -26 2 -5 125.2 5.8 -26 -2 -5 122 5.26 -26 2 5 120.56 5.51 -26 2 -5 121.66 5.43 26 -2 5 112.1 5.3 -26 -2 -5 126.93 5.8 -26 -2 5 129.28 5.54 -27 2 -5 5.25 0.85 -27 2 -5 6.22 0.75 27 -2 5 5.21 0.56 -28 -2 -5 3.34 0.62 0 2 -6 79.87 4.88 0 2 6 67.57 4 0 -2 6 62.72 4.44 0 -2 -6 59.38 4.99 0 2 6 68.46 5.59 0 2 6 59.16 4.96 0 -2 6 74.77 5.42 1 2 -6 135.11 6.88 -1 2 -6 126.02 7.17 1 -2 -6 127.98 7.69 -1 2 6 130.16 6.29 1 2 6 112.69 6.08 -1 -2 6 121.47 6.75 1 -2 6 109.77 6.61 -1 -2 6 125.44 7.86 1 -2 -6 119.64 7.41 -1 2 6 118.4 7.86 1 2 6 109.57 7.84 -1 2 6 115.6 7.45 1 2 6 114.01 7.51 -1 -2 6 122.9 7.66 1 -2 6 112.35 7.51 2 2 -6 1.44 0.75 -2 2 -6 3.3 1.2 -2 -2 6 2.19 0.91 2 2 6 1.06 0.68 -2 -2 6 -0.33 1.01 2 -2 -6 0.27 0.75 -2 -2 -6 -0.31 0.95 2 -2 -6 0.64 1.16 -2 2 6 0.73 1.07 -2 2 6 1.85 1.03 2 -2 6 0.69 1.02 -2 -2 6 -0.32 0.88 2 2 6 2.06 1.31 3 -2 -6 21.24 2.83 -3 2 6 19.94 2.76 3 -2 -6 16.97 2.2 -3 -2 6 13.76 2.21 -3 2 -6 20.55 2.64 -3 -2 6 17.5 2.24 3 2 6 18.4 1.86 -3 -2 -6 22.64 2.79 -4 2 6 39.94 3.95 -4 2 6 36.84 2.11 4 2 6 36.13 4.18 4 -2 -6 33.59 2.97 -4 -2 6 38.89 3.46 -4 2 -6 30.2 3.38 4 -2 -6 36.22 3.67 -4 -2 -6 35.54 3.51 4 2 6 26.67 2.47 -5 2 6 104.42 4.99 5 2 6 98.51 7.52 -5 2 6 101.12 6.96 -5 -2 -6 104.17 7.4 -5 -2 6 91.72 6.05 -5 2 -6 108.25 7.07 -5 -2 -6 100.76 6.62 5 2 6 104.66 5.7 5 -2 -6 105.55 6.91 -6 -2 -6 361.18 17.99 6 2 6 406.73 17.11 6 -2 -6 404.85 18.63 -6 2 6 365.27 16.2 -6 2 6 387.23 18.59 -6 -2 -6 409.19 19.59 -6 2 -6 408.2 19.11 6 -2 6 385.05 16.22 -7 -2 -6 57.32 4.49 7 2 6 64.03 4 7 -2 -6 66.95 5.12 -7 2 -6 62.63 5.3 -7 2 6 49.43 3.25 -7 -2 -6 53.4 5.25 -7 -2 6 55.52 4.02 -7 2 6 50.89 3.84 -8 -2 -6 137.05 8.08 8 -2 -6 158.18 8.84 8 2 6 140.53 7.48 -8 2 -6 145.54 9.29 -8 -2 -6 138.45 6.52 -8 2 6 140.29 6.93 -8 2 6 138.17 7.57 -8 -2 6 137.38 7.64 -8 -2 -6 126.86 9.25 -9 2 -6 113.9 5.25 -9 -2 -6 105.98 5.46 -9 -2 6 118.55 6.54 -9 2 6 106.53 6.32 -9 -2 -6 107.95 5.34 -9 -2 6 105.48 4.81 -9 -2 -6 105.47 8.21 -9 -2 -6 108 6.68 9 -2 -6 104.33 7.12 -9 2 -6 115.21 8.22 -9 -2 6 111.01 4.91 -9 -2 6 104.53 4.92 -9 2 6 111.43 5.84 -10 -2 6 28.35 1.87 -10 -2 6 29.78 1.82 -10 -2 6 31.33 2.96 -10 2 6 37.68 3.15 -10 -2 -6 30.27 2.22 -10 2 -6 39.62 3.18 -10 2 -6 32.91 2.13 -10 -2 -6 32.81 2.36 -10 -2 6 31.54 1.81 -10 -2 -6 36.57 4.63 -10 -2 -6 27.39 2.94 10 -2 -6 35.15 3.66 -10 2 -6 33.95 4.38 -10 -2 -6 34.52 2.44 -10 2 6 30.5 2.63 -11 -2 -6 189.52 8.71 -11 2 -6 187.69 9.42 -11 -2 -6 183.82 8.48 -11 -2 6 174.91 7.88 -11 -2 6 180.77 8.02 -11 -2 6 189.17 9.74 -11 2 6 183.85 9.63 -11 2 -6 198.31 8.33 -11 -2 -6 196.7 8.63 -11 -2 -6 192.91 8.91 -11 -2 -6 188.2 12.22 11 -2 -6 188.67 10.39 -11 -2 -6 167.15 9.3 -11 2 6 183.57 9.21 -11 2 -6 186.98 11.9 -11 -2 6 182.34 7.88 -12 -2 -6 112 5.95 -12 2 6 118.01 5.2 -12 -2 6 118.35 5.24 -12 -2 6 106.77 5.16 -12 -2 6 112.36 5.33 -12 2 6 107.08 5.45 -12 2 -6 122.67 6.72 -12 2 -6 129.83 5.68 -12 -2 -6 117.21 5.81 -12 -2 -6 113.22 6.07 -12 -2 -6 113.23 9.08 12 -2 -6 106.72 7.17 -12 2 6 101.15 6.37 -12 -2 6 120.8 5.22 -12 2 -6 120.82 9.18 -12 -2 6 117.08 6.91 -12 2 6 127.45 7.01 -13 2 -6 183.11 8.29 -13 -2 -6 197.96 8.03 -13 -2 -6 184.24 8.5 -13 2 6 176.39 8.2 -13 -2 6 177.57 8.07 -13 -2 -6 178.04 8.82 -13 -2 6 182.2 7.91 -13 2 -6 158.29 11.77 -13 -2 6 192.99 9.94 -13 2 6 191.84 9.89 -13 -2 -6 181.51 8.72 -13 2 6 187.84 7.92 -13 -2 6 179.58 7.91 -13 2 -6 185.18 9.52 -13 2 6 177 9.42 -14 2 -6 32.29 3.2 -14 -2 6 44.05 2.36 -14 2 6 41.25 2.3 -14 -2 6 40.37 2.5 -14 2 6 38.71 2.55 -14 -2 -6 36.5 2.63 -14 -2 -6 36.19 2.3 -14 2 -6 39.79 2.58 -14 -2 -6 43.04 3.07 -14 2 -6 41.47 2.31 14 -2 6 42.26 5.64 -14 -2 6 42.77 3.8 -14 2 6 45.78 3.86 -14 2 -6 43.34 5.43 -14 2 6 39.36 3.52 -14 -2 -6 46.14 3.09 -14 -2 6 41.48 2.32 -15 2 -6 5.16 1.37 -15 2 6 6.76 1.31 -15 -2 6 6.33 1.55 -15 2 6 6.12 1.47 -15 -2 6 6.18 0.84 -15 2 6 6.63 0.82 -15 -2 -6 5.76 1.2 -15 -2 6 4.01 0.94 -15 2 6 7.09 1.05 -15 -2 -6 3.65 1 -15 2 -6 4.26 0.96 -15 2 -6 4.86 0.83 15 -2 6 6.31 2.85 -15 -2 -6 4.32 1.13 -15 -2 -6 2.75 1.93 -15 2 6 4.78 1.34 -15 -2 6 4.2 0.8 -15 2 -6 6.02 2.42 -16 -2 6 119.85 5.75 -16 2 6 122.03 5.84 -16 2 6 119.03 5.73 -16 -2 6 129.24 5.57 -16 2 6 126.27 5.52 -16 2 -6 133.39 6.01 -16 -2 -6 117.71 5.87 -16 -2 -6 125.26 6.4 -16 2 -6 118.16 5.49 -16 -2 -6 128.3 10.33 16 -2 6 117.95 10.08 -16 -2 6 110.11 5.45 -16 2 6 104.41 7 16 2 6 102.54 8.97 -16 2 6 114.46 6.14 -16 -2 -6 111.91 5.45 -16 -2 -6 120.7 6.26 -17 -2 -6 183.5 8.2 -17 2 -6 190.39 8.35 -17 2 6 172.19 8.13 -17 2 6 176.18 8.08 -17 -2 6 189.47 7.9 -17 2 6 183.87 7.85 -17 -2 -6 173.72 8.63 -17 2 -6 178.81 7.85 -17 -2 -6 133.48 11.67 17 -2 6 143.96 12.07 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24.99 1.53 -23 2 -9 27.68 1.65 24 -2 9 19.5 1.12 -24 2 -9 17.75 1.2 0 -2 10 346.44 14.28 0 -2 10 362.58 17.57 0 -2 -10 343.47 18.65 0 -2 10 310.4 14.68 0 2 10 352.26 14.57 0 2 10 332.96 19.2 0 -2 -10 342.3 14.83 1 -2 10 20.21 1.5 -1 -2 10 15.24 1.39 1 -2 10 16.5 2.77 -1 -2 10 11.81 1.61 1 -2 10 12.91 1.61 -1 2 10 19.03 1.69 1 2 10 18.01 1.62 -1 -2 -10 15.89 1.8 1 -2 -10 22.2 1.89 -1 2 10 14.57 3.21 -1 -2 -10 16.1 3.14 1 2 10 13.66 3.26 -2 -2 -10 127.4 6.19 2 -2 10 115.85 8.03 -2 -2 -10 120.86 9.04 2 -2 -10 99.05 8.54 2 2 10 103.44 8.92 2 -2 10 109.95 9.11 -2 -2 10 124.29 5.56 2 -2 10 123.11 5.51 -2 -2 -10 132.49 6.58 2 2 10 102.07 9.3 -2 2 10 95.63 8.58 2 -2 10 107.87 5.82 -2 -2 10 114.64 5.97 -2 2 10 112.77 5.73 2 2 10 111.64 5.62 -3 2 -10 75.2 4.07 -3 2 10 74.49 4.11 3 -2 10 78.93 4.26 -3 -2 10 76.13 4.35 3 2 10 74.72 3.98 3 -2 10 63.96 7.15 3 -2 10 78.81 6.23 -3 -2 -10 74.52 6.81 3 -2 -10 74.86 7.03 3 2 10 65.29 6.89 3 -2 10 74.86 7.3 3 -2 10 77.95 3.87 -3 -2 -10 88.17 4.92 3 2 10 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74.38 3.07 5 10 2 70.81 3.32 -5 10 -2 68.76 3.36 5 10 -2 71.06 3.37 -5 10 2 68.15 3.32 -6 -10 2 9.37 0.61 6 10 2 7.83 0.76 6 10 -2 7.75 0.78 -7 -10 2 19.14 1.09 -7 -10 -2 19.4 1.08 -7 -10 -2 18.47 1.09 -8 -10 -2 65.02 2.89 -8 -10 2 63.66 2.88 -8 -10 -2 70.09 2.92 -8 -10 2 65.72 2.91 9 -10 -2 6 0.61 0 10 3 7.95 0.86 0 10 -3 9.34 0.98 0 -10 3 9.05 0.68 0 -10 -3 8.71 0.87 1 10 3 80.92 3.72 1 10 -3 72.36 3.72 -1 -10 3 80.79 3.42 1 -10 3 76.08 3.41 1 -10 -3 80.58 3.7 -1 -10 -3 77.12 3.65 2 10 3 12.81 1.06 2 10 -3 15.05 1.19 -2 -10 3 13.7 0.87 2 -10 3 14.51 0.9 2 -10 -3 13.59 1.08 -2 -10 -3 12.54 1.01 3 10 -3 101.53 4.68 -3 10 3 100.26 4.63 3 10 3 103.59 4.63 -3 10 -3 102.91 4.69 -3 -10 -3 99.44 4.57 -3 -10 3 106.91 4.37 3 -10 3 103.39 4.39 -4 10 -3 -0.06 0.44 4 10 -3 -0.06 0.43 -4 10 3 0.15 0.39 4 10 3 -0.15 0.37 -4 -10 3 0.23 0.29 4 -10 3 -0.16 0.31 -5 10 -3 5.81 0.68 5 10 -3 5.54 0.65 5 10 3 5.02 0.59 -5 -10 -3 5.01 0.48 -5 -10 3 5.69 0.5 5 -10 3 5.78 0.53 6 -10 -3 28.11 1.59 -6 -10 3 27.72 1.34 7 -10 -3 85.29 3.82 8 -10 -3 29.31 1.55 0 10 4 20.7 1.35 0 10 -4 23.36 1.46 0 -10 4 22.83 1.18 1 10 4 28.43 1.62 1 10 -4 28.67 1.7 1 -10 4 28.93 1.43 -1 -10 4 29.22 1.43 -1 -10 -4 27.57 1.6 2 -10 -4 37.53 2.15 -2 10 4 42.06 2.19 2 10 4 47.33 2.23 2 10 -4 43.28 2.26 -2 -10 4 45.62 2 -2 -10 -4 43.06 2.19 3 -10 -4 41.55 2.24 -3 10 4 43.85 2.22 3 10 4 47.66 2.24 -3 10 -4 43.32 2.28 3 10 -4 47.25 2.31 -3 -10 4 46.97 2.06 -3 -10 -4 45.56 2.24 3 -10 -4 43.45 2.25 -4 -10 4 0.42 0.24 -4 10 -4 0.14 0.33 4 10 -4 0.31 0.35 -4 10 4 0.24 0.32 4 10 4 0.31 0.31 4 -10 -4 0.18 0.33 -4 -10 -4 0.58 0.31 4 -10 -4 0.58 0.35 -5 -10 4 21.22 1.01 5 -10 4 18.33 0.99 5 -10 -4 19.76 1.17 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 H5A O5 H5B 104.6 . . ? C1 N1 C7 112.54(13) . . ? C1 N1 C8 109.54(13) . . ? C1 N1 C9 109.98(13) . . ? C7 N1 C8 107.76(14) . . ? C7 N1 C9 108.12(14) . . ? C9 N1 C8 108.81(15) . . ? H3A O3 H3B 104.5 . . ? H4A O4 H4B 104.5 . . ? C1 C6 H6 120.3 . . ? C5 C6 H6 120.3 . . ? C5 C6 C1 119.34(15) . . ? C6 C1 N1 117.95(14) . . ? C2 C1 N1 121.08(15) . . ? C2 C1 C6 120.96(16) . . ? C4 C3 H3 119.5 . . ? C2 C3 H3 119.5 . . ? C2 C3 C4 121.06(15) . . ? C3 C4 C4 120.53(11) . 3_655 ? C3 C4 C5 118.80(16) . . ? C5 C4 C4 120.66(11) . 3_655 ? C6 C5 C4 120.64(16) . . ? C6 C5 H5 119.7 . . ? C4 C5 H5 119.7 . . ? C1 C2 C3 119.17(15) . . ? C1 C2 H2 120.4 . . ? C3 C2 H2 120.4 . . ? O2 C10 O1 125.48(17) . . ? O2 C10 C11 120.76(17) . . ? O1 C10 C11 113.76(17) . . ? N1 C7 H7A 109.5 . . ? N1 C7 H7B 109.5 . . ? N1 C7 H7C 109.5 . . ? H7A C7 H7B 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N1 C8 H8A 109.5 . . ? N1 C8 H8B 109.5 . . ? N1 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C10 C11 H11 118.9 . . ? C11 C11 C10 122.3(2) 5_665 . ? C11 C11 H11 118.9 5_665 . ? N1 C9 H9A 109.5 . . ? N1 C9 H9B 109.5 . . ? N1 C9 H9C 109.5 . . ? H9A C9 H9B 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 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 O2 C10 1.250(2) . ? O1 C10 1.256(2) . ? O5 H5A 0.8690 . ? O5 H5B 0.8698 . ? N1 C1 1.499(2) . ? N1 C7 1.502(2) . ? N1 C8 1.507(2) . ? N1 C9 1.507(2) . ? O3 H3A 0.8700 . ? O3 H3B 0.8701 . ? O4 H4A 0.8704 . ? O4 H4B 0.8699 . ? C6 H6 0.9500 . ? C6 C1 1.392(2) . ? C6 C5 1.386(2) . ? C1 C2 1.384(2) . ? C3 H3 0.9500 . ? C3 C4 1.394(2) . ? C3 C2 1.386(2) . ? C4 C4 1.484(3) 3_655 ? C4 C5 1.398(2) . ? C5 H5 0.9500 . ? C2 H2 0.9500 . ? C10 C11 1.522(2) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C11 C11 1.315(4) 5_665 ? C11 H11 0.9500 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? 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 O2 C10 C11 C11 -13.7(3) . . . 5_665 ? O1 C10 C11 C11 166.5(2) . . . 5_665 ? N1 C1 C2 C3 -179.69(15) . . . . ? C6 C1 C2 C3 0.1(3) . . . . ? C1 C6 C5 C4 -0.7(3) . . . . ? C3 C4 C5 C6 -0.4(3) . . . . ? C4 C3 C2 C1 -1.2(3) . . . . ? C4 C4 C5 C6 179.04(18) 3_655 . . . ? C5 C6 C1 N1 -179.33(15) . . . . ? C5 C6 C1 C2 0.9(3) . . . . ? C2 C3 C4 C4 -178.05(18) . . . 3_655 ? C2 C3 C4 C5 1.3(3) . . . . ? C7 N1 C1 C6 -179.59(15) . . . . ? C7 N1 C1 C2 0.2(2) . . . . ? C8 N1 C1 C6 -59.74(19) . . . . ? C8 N1 C1 C2 120.05(18) . . . . ? C9 N1 C1 C6 59.8(2) . . . . ? C9 N1 C1 C2 -120.41(17) . . . . ? _cod_database_fobs_code 2312713