#------------------------------------------------------------------------------ #$Date: 2019-11-10 08:44:17 +0200 (Sun, 10 Nov 2019) $ #$Revision: 225931 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515831.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_4515831 loop_ _publ_author_name 'Lei, Jie' 'Xu, Zhi-Gang' 'Tang, Dian-Yong' 'Li, Yong' 'Xu, Jia' 'Li, Hong-Yu' 'Zhu, Jin' 'Chen, Zhong-Zhu' _publ_section_title ; Acid-Promoted One-Pot Synthesis of Substituted Furan and 6-Methylpyrazin-2(1 H)-one Derivatives via Allene Intermediate Formed in Situ. ; _journal_issue 5 _journal_name_full 'ACS combinatorial science' _journal_page_first 292 _journal_page_last 297 _journal_paper_doi 10.1021/acscombsci.8b00005 _journal_volume 20 _journal_year 2018 _chemical_formula_moiety 'C21 H16 N2 O3' _chemical_formula_sum 'C21 H16 N2 O3' _chemical_formula_weight 344.36 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _audit_creation_date 2017-04-18 _audit_creation_method ; Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.6461(3) _cell_length_b 9.1906(3) _cell_length_c 20.9044(8) _cell_measurement_reflns_used 1773 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.2260 _cell_measurement_theta_min 3.0520 _cell_volume 1661.12(10) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXS (Sheldrick, 2008)' _diffrn_ambient_temperature 293.15 _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 16.0874 _diffrn_detector_type Eos _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -20.00 32.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - -14.9669 77.0000 90.0000 52 #__ type_ start__ end____ width___ exp.time_ 2 omega 51.00 77.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - 16.6856 77.0000 -30.0000 26 #__ type_ start__ end____ width___ exp.time_ 3 omega -7.00 50.00 1.0000 6.0000 omega____ theta____ kappa____ phi______ frames - 16.6856 77.0000 -150.0000 57 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0778027000 _diffrn_orient_matrix_UB_12 -0.0100996000 _diffrn_orient_matrix_UB_13 -0.0097668000 _diffrn_orient_matrix_UB_21 0.0227991000 _diffrn_orient_matrix_UB_22 -0.0601219000 _diffrn_orient_matrix_UB_23 -0.0190726000 _diffrn_orient_matrix_UB_31 -0.0123640000 _diffrn_orient_matrix_UB_32 -0.0473845000 _diffrn_orient_matrix_UB_33 0.0263013000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0169 _diffrn_reflns_av_unetI/netI 0.0415 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 4829 _diffrn_reflns_point_group_measured_fraction_full 0.924 _diffrn_reflns_point_group_measured_fraction_max 0.913 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.372 _diffrn_reflns_theta_min 2.951 _diffrn_source 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.093 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.98131 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_density_diffrn 1.377 _exptl_crystal_density_method 'not measured' _exptl_crystal_description ; ; _exptl_crystal_F_000 720 _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.3 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.139 _refine_diff_density_min -0.201 _refine_diff_density_rms 0.044 _refine_ls_abs_structure_details ; Flack x determined using 779 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.8(9) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 236 _refine_ls_number_reflns 3113 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.043 _refine_ls_R_factor_all 0.0587 _refine_ls_R_factor_gt 0.0446 _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^)+(0.0442P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0882 _refine_ls_wR_factor_ref 0.0961 _reflns_Friedel_coverage 0.582 _reflns_Friedel_fraction_full 0.820 _reflns_Friedel_fraction_max 0.795 _reflns_number_gt 2560 _reflns_number_total 3113 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; 170417_s6_lj.res created by SHELXL-2014/7 TITL 170417_s6_lj in P212121 #19 REM reset to P212121 #19 CELL 0.71073 8.64606 9.1906 20.90436 90 90 90 ZERR 4 0.00027 0.00033 0.00077 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM 0.5+X,0.5-Y,-Z SYMM -X,0.5+Y,0.5-Z SFAC C H N O UNIT 84 64 8 12 L.S. 4 PLAN 20 SIZE 0.2 0.3 0.35 TEMP 20 BOND $H htab conf fmap 2 acta SHEL 999 0.8 REM REM REM WGHT 0.044200 FVAR 8.13556 O1 4 0.492927 0.627534 0.248778 11.00000 0.05281 0.06084 = 0.04334 0.01657 -0.00236 -0.00864 O2 4 0.429889 0.358235 0.401502 11.00000 0.05502 0.07101 = 0.04953 0.02456 -0.01039 -0.02286 O3 4 0.753168 0.752233 0.401251 11.00000 0.04895 0.03100 = 0.06332 0.00263 -0.00401 0.00380 N1 3 0.921291 0.603613 0.454076 11.00000 0.03211 0.03026 = 0.04252 0.00077 -0.00045 -0.00299 N2 3 0.780171 0.365724 0.398538 11.00000 0.04056 0.03407 = 0.05239 -0.00208 -0.00041 -0.00239 C1 1 0.357927 0.548753 0.253709 11.00000 0.04285 0.04148 = 0.03633 -0.00160 0.00142 0.00183 C2 1 0.248641 0.572622 0.206383 11.00000 0.06694 0.05791 = 0.04217 0.00748 -0.00853 0.00401 AFIX 43 H2 2 0.268226 0.637063 0.173052 11.00000 -1.20000 AFIX 0 C3 1 0.111553 0.499356 0.209815 11.00000 0.05819 0.06959 = 0.05731 0.00116 -0.02192 0.00423 AFIX 43 H3 2 0.037692 0.512480 0.177992 11.00000 -1.20000 AFIX 0 C4 1 0.081158 0.405292 0.260393 11.00000 0.04483 0.06033 = 0.07084 0.00135 -0.01293 -0.00512 AFIX 43 H4 2 -0.013537 0.357603 0.262767 11.00000 -1.20000 AFIX 0 C5 1 0.190043 0.382998 0.306448 11.00000 0.04534 0.04436 = 0.05364 0.00201 -0.00453 -0.00375 AFIX 43 H5 2 0.168885 0.319549 0.339981 11.00000 -1.20000 AFIX 0 C6 1 0.333536 0.454051 0.304195 11.00000 0.04160 0.03322 = 0.03418 -0.00271 -0.00125 0.00176 C7 1 0.452719 0.432635 0.353774 11.00000 0.04169 0.03516 = 0.03640 -0.00126 0.00010 -0.00280 C8 1 0.596614 0.511593 0.341830 11.00000 0.03661 0.03591 = 0.03736 -0.00149 0.00336 -0.00311 C9 1 0.605224 0.604610 0.292680 11.00000 0.04279 0.05858 = 0.04433 0.00748 0.00251 -0.00873 AFIX 43 H9 2 0.696038 0.657940 0.288359 11.00000 -1.20000 AFIX 0 C10 1 0.730910 0.496297 0.385274 11.00000 0.03461 0.03434 = 0.04140 0.00213 0.00595 -0.00235 C11 1 0.798608 0.627935 0.412330 11.00000 0.03082 0.03407 = 0.04154 0.00131 0.00600 -0.00289 C12 1 0.974245 0.466113 0.467774 11.00000 0.03256 0.03515 = 0.04975 0.00362 0.00418 0.00015 C13 1 0.902377 0.352392 0.439415 11.00000 0.03974 0.02923 = 0.06619 0.00404 0.00087 0.00350 AFIX 43 H13 2 0.938537 0.259278 0.448340 11.00000 -1.20000 AFIX 0 C14 1 1.108186 0.444662 0.512683 11.00000 0.04285 0.05301 = 0.07487 0.00561 -0.01260 0.00486 AFIX 137 H14A 2 1.200530 0.483266 0.493653 11.00000 -1.50000 H14B 2 1.121730 0.342676 0.520877 11.00000 -1.50000 H14C 2 1.087806 0.494348 0.552189 11.00000 -1.50000 AFIX 0 C15 1 0.981987 0.734898 0.485132 11.00000 0.03959 0.03490 = 0.04286 -0.00422 0.00113 -0.00568 AFIX 23 H15A 2 1.038719 0.706224 0.523127 11.00000 -1.20000 H15B 2 0.895555 0.794586 0.498789 11.00000 -1.20000 AFIX 0 C16 1 1.086563 0.825533 0.443505 11.00000 0.03013 0.03236 = 0.03769 -0.00244 -0.00412 -0.00098 C17 1 1.170187 0.768568 0.392885 11.00000 0.04295 0.03595 = 0.05965 -0.01075 0.01224 0.00011 AFIX 43 H17 2 1.157848 0.671470 0.381448 11.00000 -1.20000 AFIX 0 C18 1 1.271804 0.855682 0.359390 11.00000 0.05211 0.05573 = 0.05903 -0.00613 0.02176 -0.00150 AFIX 43 H18 2 1.328319 0.816622 0.325656 11.00000 -1.20000 AFIX 0 C19 1 1.290262 0.999520 0.375401 11.00000 0.04396 0.05099 = 0.05863 0.00979 0.00553 -0.01209 AFIX 43 H19 2 1.359651 1.057321 0.352823 11.00000 -1.20000 AFIX 0 C20 1 1.205917 1.057892 0.424894 11.00000 0.05084 0.03378 = 0.04586 0.00270 -0.00765 -0.00557 AFIX 43 H20 2 1.217939 1.155379 0.435733 11.00000 -1.20000 AFIX 0 C21 1 1.103824 0.972172 0.458354 11.00000 0.04036 0.03363 = 0.03428 -0.00187 -0.00250 0.00313 AFIX 43 H21 2 1.045660 1.012644 0.491276 11.00000 -1.20000 AFIX 0 HKLF 4 REM 170417_s6_lj in P212121 #19 REM R1 = 0.0446 for 2560 Fo > 4sig(Fo) and 0.0587 for all 3113 data REM 236 parameters refined using 0 restraints END WGHT 0.0442 0.0000 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, y+1/2, -z+1/2 HTAB C2 N2_$1 EQIV $2 x+1/2, -y+3/2, -z+1 HTAB C15 O3_$2 REM Highest difference peak 0.139, deepest hole -0.201, 1-sigma level 0.044 Q1 1 0.7535 0.8035 0.4569 11.00000 0.05 0.14 Q2 1 0.6233 0.5077 0.2969 11.00000 0.05 0.14 Q3 1 0.2695 0.8489 0.2142 11.00000 0.05 0.14 Q4 1 1.0881 0.5469 0.6046 11.00000 0.05 0.13 Q5 1 0.7236 0.6342 0.2610 11.00000 0.05 0.13 Q6 1 -0.1670 0.3601 0.2388 11.00000 0.05 0.13 Q7 1 1.3022 0.8275 0.3061 11.00000 0.05 0.13 Q8 1 0.9104 0.6938 0.5726 11.00000 0.05 0.12 Q9 1 1.2743 0.6012 0.5222 11.00000 0.05 0.12 Q10 1 0.5464 0.7503 0.3911 11.00000 0.05 0.12 Q11 1 1.3933 1.2152 0.4670 11.00000 0.05 0.12 Q12 1 0.6796 0.4176 0.2658 11.00000 0.05 0.12 Q13 1 0.8817 0.9109 0.3951 11.00000 0.05 0.12 Q14 1 1.4155 0.8265 0.3351 11.00000 0.05 0.12 Q15 1 1.4820 0.7870 0.3738 11.00000 0.05 0.12 Q16 1 0.4908 0.3255 0.3083 11.00000 0.05 0.11 Q17 1 0.9037 0.6901 0.3419 11.00000 0.05 0.11 Q18 1 0.3923 0.7052 0.1345 11.00000 0.05 0.11 Q19 1 0.7230 0.7763 0.5025 11.00000 0.05 0.11 Q20 1 1.0073 0.7154 0.3180 11.00000 0.05 0.11 REM The information below was added by Olex2. REM REM R1 = 0.0446 for 2560 Fo > 4sig(Fo) and 0.0587 for all 5213 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.14, deepest hole -0.20 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0587 REM R1_gt = 0.0446 REM wR_ref = 0.0961 REM GOOF = 1.043 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 5213 REM Reflections_gt = 2560 REM Parameters = n/a REM Hole = -0.20 REM Peak = 0.14 REM Flack = -0.8(9) ; _cod_data_source_file co8b00005_si_002.cif _cod_data_source_block 170417_s6_lj _cod_original_cell_volume 1661.11(10) _cod_database_code 4515831 _shelx_shelxl_version_number 2014/7 _chemical_oxdiff_formula c12h12n2o3 _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 0.982 _shelx_estimated_absorpt_t_min 0.968 _reflns_odcompleteness_completeness 99.70 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2.a Secondary CH2 refined with riding coordinates: C15(H15A,H15B) 2.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C13(H13), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21) 2.c Idealised Me refined as rotating group: C14(H14A,H14B,H14C) ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -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 O1 O 0.4929(2) 0.6275(2) 0.24878(10) 0.0523(5) Uani 1 1 d . O2 O 0.4299(2) 0.3582(3) 0.40150(9) 0.0585(6) Uani 1 1 d . O3 O 0.7532(2) 0.7522(2) 0.40125(10) 0.0478(5) Uani 1 1 d . N1 N 0.9213(2) 0.6036(2) 0.45408(10) 0.0350(5) Uani 1 1 d . N2 N 0.7802(3) 0.3657(3) 0.39854(11) 0.0423(6) Uani 1 1 d . C1 C 0.3579(3) 0.5488(3) 0.25371(13) 0.0402(7) Uani 1 1 d . C2 C 0.2486(4) 0.5726(4) 0.20638(15) 0.0557(9) Uani 1 1 d . H2 H 0.2682 0.6371 0.1731 0.067 Uiso 1 1 calc R C3 C 0.1116(4) 0.4994(4) 0.20982(17) 0.0617(9) Uani 1 1 d . H3 H 0.0377 0.5125 0.1780 0.074 Uiso 1 1 calc R C4 C 0.0812(4) 0.4053(4) 0.26039(15) 0.0587(9) Uani 1 1 d . H4 H -0.0135 0.3576 0.2628 0.070 Uiso 1 1 calc R C5 C 0.1900(3) 0.3830(3) 0.30645(14) 0.0478(8) Uani 1 1 d . H5 H 0.1689 0.3195 0.3400 0.057 Uiso 1 1 calc R C6 C 0.3335(3) 0.4541(3) 0.30419(12) 0.0363(6) Uani 1 1 d . C7 C 0.4527(3) 0.4326(3) 0.35377(13) 0.0378(7) Uani 1 1 d . C8 C 0.5966(3) 0.5116(3) 0.34183(13) 0.0366(6) Uani 1 1 d . C9 C 0.6052(3) 0.6046(4) 0.29268(13) 0.0486(7) Uani 1 1 d . H9 H 0.6960 0.6579 0.2884 0.058 Uiso 1 1 calc R C10 C 0.7309(3) 0.4963(3) 0.38527(14) 0.0368(7) Uani 1 1 d . C11 C 0.7986(3) 0.6279(3) 0.41233(12) 0.0355(6) Uani 1 1 d . C12 C 0.9742(3) 0.4661(3) 0.46777(14) 0.0392(7) Uani 1 1 d . C13 C 0.9024(3) 0.3524(3) 0.43941(14) 0.0451(7) Uani 1 1 d . H13 H 0.9385 0.2593 0.4483 0.054 Uiso 1 1 calc R C14 C 1.1082(4) 0.4447(4) 0.51268(16) 0.0569(9) Uani 1 1 d . H14A H 1.2005 0.4833 0.4937 0.085 Uiso 1 1 calc GR H14B H 1.1217 0.3427 0.5209 0.085 Uiso 1 1 calc GR H14C H 1.0878 0.4943 0.5522 0.085 Uiso 1 1 calc GR C15 C 0.9820(3) 0.7349(3) 0.48513(13) 0.0391(7) Uani 1 1 d . H15A H 1.0387 0.7062 0.5231 0.047 Uiso 1 1 calc R H15B H 0.8956 0.7946 0.4988 0.047 Uiso 1 1 calc R C16 C 1.0866(3) 0.8255(3) 0.44351(12) 0.0334(6) Uani 1 1 d . C17 C 1.1702(3) 0.7686(3) 0.39288(14) 0.0462(8) Uani 1 1 d . H17 H 1.1578 0.6715 0.3814 0.055 Uiso 1 1 calc R C18 C 1.2718(4) 0.8557(4) 0.35939(16) 0.0556(9) Uani 1 1 d . H18 H 1.3283 0.8166 0.3257 0.067 Uiso 1 1 calc R C19 C 1.2903(4) 0.9995(4) 0.37540(16) 0.0512(8) Uani 1 1 d . H19 H 1.3597 1.0573 0.3528 0.061 Uiso 1 1 calc R C20 C 1.2059(3) 1.0579(3) 0.42489(13) 0.0435(7) Uani 1 1 d . H20 H 1.2179 1.1554 0.4357 0.052 Uiso 1 1 calc R C21 C 1.1038(3) 0.9722(3) 0.45835(13) 0.0361(6) Uani 1 1 d . H21 H 1.0457 1.0126 0.4913 0.043 Uiso 1 1 calc R 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 O1 0.0528(11) 0.0608(14) 0.0433(10) 0.0166(11) -0.0024(10) -0.0086(11) O2 0.0550(13) 0.0710(16) 0.0495(12) 0.0246(11) -0.0104(11) -0.0229(12) O3 0.0490(12) 0.0310(11) 0.0633(14) 0.0026(10) -0.0040(11) 0.0038(9) N1 0.0321(11) 0.0303(12) 0.0425(12) 0.0008(10) -0.0004(11) -0.0030(10) N2 0.0406(12) 0.0341(14) 0.0524(15) -0.0021(12) -0.0004(12) -0.0024(11) C1 0.0429(16) 0.0415(16) 0.0363(14) -0.0016(14) 0.0014(14) 0.0018(13) C2 0.067(2) 0.058(2) 0.0422(17) 0.0075(16) -0.0085(18) 0.0040(18) C3 0.058(2) 0.070(2) 0.057(2) 0.0012(19) -0.0219(18) 0.0042(19) C4 0.0448(17) 0.060(2) 0.071(2) 0.0014(18) -0.0129(19) -0.0051(17) C5 0.0453(17) 0.0444(18) 0.0536(18) 0.0020(16) -0.0045(16) -0.0037(15) C6 0.0416(15) 0.0332(14) 0.0342(14) -0.0027(12) -0.0012(14) 0.0018(12) C7 0.0417(16) 0.0352(15) 0.0364(14) -0.0013(13) 0.0001(14) -0.0028(13) C8 0.0366(14) 0.0359(15) 0.0374(14) -0.0015(12) 0.0034(14) -0.0031(13) C9 0.0428(16) 0.059(2) 0.0443(16) 0.0075(15) 0.0025(15) -0.0087(16) C10 0.0346(14) 0.0343(15) 0.0414(16) 0.0021(12) 0.0060(14) -0.0023(12) C11 0.0308(14) 0.0341(16) 0.0415(15) 0.0013(13) 0.0060(13) -0.0029(12) C12 0.0326(15) 0.0352(16) 0.0498(16) 0.0036(13) 0.0042(14) 0.0002(12) C13 0.0397(15) 0.0292(15) 0.066(2) 0.0040(14) 0.0009(16) 0.0035(13) C14 0.0429(17) 0.0530(19) 0.075(2) 0.0056(18) -0.0126(18) 0.0049(16) C15 0.0396(16) 0.0349(15) 0.0429(16) -0.0042(13) 0.0011(14) -0.0057(13) C16 0.0301(13) 0.0324(14) 0.0377(14) -0.0024(11) -0.0041(13) -0.0010(11) C17 0.0429(17) 0.0360(16) 0.060(2) -0.0108(15) 0.0122(17) 0.0001(14) C18 0.0521(19) 0.056(2) 0.059(2) -0.0061(17) 0.0218(17) -0.0015(17) C19 0.0440(18) 0.0510(19) 0.059(2) 0.0098(16) 0.0055(16) -0.0121(16) C20 0.0508(18) 0.0338(15) 0.0459(16) 0.0027(14) -0.0076(16) -0.0056(14) C21 0.0404(15) 0.0336(15) 0.0343(14) -0.0019(11) -0.0025(13) 0.0031(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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C9 O1 C1 118.4(2) C11 N1 C15 114.7(2) C12 N1 C11 122.2(2) C12 N1 C15 123.0(2) C10 N2 C13 118.0(3) O1 C1 C2 116.2(3) O1 C1 C6 121.1(3) C6 C1 C2 122.7(3) C1 C2 H2 120.8 C3 C2 C1 118.5(3) C3 C2 H2 120.8 C2 C3 H3 119.6 C2 C3 C4 120.7(3) C4 C3 H3 119.6 C3 C4 H4 120.0 C5 C4 C3 120.0(3) C5 C4 H4 120.0 C4 C5 H5 119.4 C4 C5 C6 121.2(3) C6 C5 H5 119.4 C1 C6 C5 116.9(3) C1 C6 C7 120.9(3) C5 C6 C7 122.2(3) O2 C7 C6 122.3(3) O2 C7 C8 123.6(3) C8 C7 C6 114.1(2) C7 C8 C10 121.0(2) C9 C8 C7 119.7(3) C9 C8 C10 119.2(3) O1 C9 H9 117.3 C8 C9 O1 125.5(3) C8 C9 H9 117.3 N2 C10 C8 118.3(3) N2 C10 C11 123.4(3) C11 C10 C8 118.3(2) O3 C11 N1 120.7(2) O3 C11 C10 124.7(2) N1 C11 C10 114.6(2) N1 C12 C14 120.5(3) C13 C12 N1 117.8(3) C13 C12 C14 121.7(3) N2 C13 H13 117.9 C12 C13 N2 124.1(3) C12 C13 H13 117.9 C12 C14 H14A 109.5 C12 C14 H14B 109.5 C12 C14 H14C 109.5 H14A C14 H14B 109.5 H14A C14 H14C 109.5 H14B C14 H14C 109.5 N1 C15 H15A 108.6 N1 C15 H15B 108.6 N1 C15 C16 114.4(2) H15A C15 H15B 107.6 C16 C15 H15A 108.6 C16 C15 H15B 108.6 C17 C16 C15 123.1(2) C17 C16 C21 118.7(3) C21 C16 C15 118.1(2) C16 C17 H17 120.0 C18 C17 C16 120.1(3) C18 C17 H17 120.0 C17 C18 H18 119.7 C19 C18 C17 120.6(3) C19 C18 H18 119.7 C18 C19 H19 120.1 C18 C19 C20 119.8(3) C20 C19 H19 120.1 C19 C20 H20 120.0 C21 C20 C19 120.0(3) C21 C20 H20 120.0 C16 C21 H21 119.6 C20 C21 C16 120.7(3) C20 C21 H21 119.6 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance O1 C1 1.377(3) O1 C9 1.353(3) O2 C7 1.226(3) O3 C11 1.230(3) N1 C11 1.392(3) N1 C12 1.374(3) N1 C15 1.467(3) N2 C10 1.303(4) N2 C13 1.364(4) C1 C2 1.386(4) C1 C6 1.384(4) C2 H2 0.9300 C2 C3 1.365(5) C3 H3 0.9300 C3 C4 1.391(4) C4 H4 0.9300 C4 C5 1.362(4) C5 H5 0.9300 C5 C6 1.403(4) C6 C7 1.475(4) C7 C8 1.462(4) C8 C9 1.339(4) C8 C10 1.481(4) C9 H9 0.9300 C10 C11 1.458(4) C12 C13 1.353(4) C12 C14 1.504(4) C13 H13 0.9300 C14 H14A 0.9600 C14 H14B 0.9600 C14 H14C 0.9600 C15 H15A 0.9700 C15 H15B 0.9700 C15 C16 1.506(4) C16 C17 1.384(4) C16 C21 1.391(4) C17 H17 0.9300 C17 C18 1.380(4) C18 H18 0.9300 C18 C19 1.373(5) C19 H19 0.9300 C19 C20 1.375(4) C20 H20 0.9300 C20 C21 1.374(4) C21 H21 0.9300 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 O1 C1 C2 C3 -178.7(3) O1 C1 C6 C5 177.6(3) O1 C1 C6 C7 -1.1(4) O2 C7 C8 C9 -171.7(3) O2 C7 C8 C10 5.1(4) N1 C12 C13 N2 -0.5(4) N1 C15 C16 C17 -25.5(4) N1 C15 C16 C21 157.0(2) N2 C10 C11 O3 -179.0(3) N2 C10 C11 N1 -0.1(4) C1 O1 C9 C8 -0.7(4) C1 C2 C3 C4 1.3(5) C1 C6 C7 O2 174.3(3) C1 C6 C7 C8 -3.7(4) C2 C1 C6 C5 -1.0(4) C2 C1 C6 C7 -179.6(3) C2 C3 C4 C5 -1.4(5) C3 C4 C5 C6 0.3(5) C4 C5 C6 C1 0.9(4) C4 C5 C6 C7 179.5(3) C5 C6 C7 O2 -4.2(4) C5 C6 C7 C8 177.8(3) C6 C1 C2 C3 -0.1(5) C6 C7 C8 C9 6.3(4) C6 C7 C8 C10 -177.0(2) C7 C8 C9 O1 -4.4(5) C7 C8 C10 N2 52.5(4) C7 C8 C10 C11 -126.0(3) C8 C10 C11 O3 -0.7(4) C8 C10 C11 N1 178.2(2) C9 O1 C1 C2 -177.9(3) C9 O1 C1 C6 3.5(4) C9 C8 C10 N2 -130.8(3) C9 C8 C10 C11 50.8(4) C10 N2 C13 C12 1.0(4) C10 C8 C9 O1 178.8(3) C11 N1 C12 C13 -0.3(4) C11 N1 C12 C14 179.4(2) C11 N1 C15 C16 -78.4(3) C12 N1 C11 O3 179.6(3) C12 N1 C11 C10 0.6(3) C12 N1 C15 C16 105.5(3) C13 N2 C10 C8 -179.0(2) C13 N2 C10 C11 -0.6(4) C14 C12 C13 N2 179.7(3) C15 N1 C11 O3 3.4(3) C15 N1 C11 C10 -175.6(2) C15 N1 C12 C13 175.5(3) C15 N1 C12 C14 -4.7(4) C15 C16 C17 C18 -175.6(3) C15 C16 C21 C20 175.4(2) C16 C17 C18 C19 -0.5(5) C17 C16 C21 C20 -2.2(4) C17 C18 C19 C20 -0.6(5) C18 C19 C20 C21 0.2(4) C19 C20 C21 C16 1.2(4) C21 C16 C17 C18 1.9(4) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_scale_group_code 0 0 3 142.247 52.7294 3 0 0 4 98.163 67.9786 3 0 0 -4 47.5967 71.1151 3 0 0 -5 -45.4445 103.44 3 0 0 5 149.171 99.1813 3 0 0 6 399556 2832.14 3 0 0 -6 393695 2843.36 3 0 0 7 120.294 146.36 3 0 0 -7 236.435 175.346 3 0 0 8 34610 977.545 3 0 0 -8 33880.1 981.421 3 0 0 -9 -118.314 124.136 3 0 0 9 2.40817 89.5755 3 0 0 -10 21101.8 868.984 3 0 0 10 20327 847.036 3 0 0 11 16.5425 140.175 3 0 0 -11 -48.4616 158.632 3 0 0 -12 4649.45 472.106 3 0 0 12 4682 457.135 3 0 0 -13 -8.19553 177.275 3 0 0 -14 38530.6 1428.48 3 0 0 -15 381.773 267.092 3 0 0 -16 434.002 271.742 3 0 0 -17 150.219 293.163 3 0 0 -18 9582.36 846.718 3 0 0 -19 1203.05 440.882 3 0 0 -20 80474.7 2558.62 3 0 0 -21 1310.9 417.526 3 0 0 -22 8698.41 907.933 3 0 0 -23 -224.898 280.854 3 0 0 -24 1369.44 429.949 3 0 0 -25 -237.726 256.837 3 0 0 -26 762.472 365.504 3 0 -1 2 269423 1626.46 1 0 1 -3 46094.3 717.81 1 0 1 4 6553.69 343.571 3 0 1 -5 21446.4 634.679 3 0 1 5 21698.7 669.211 3 0 -1 -6 6442.93 414.439 3 0 1 -6 6596.14 384.627 3 0 1 6 6565.33 403.992 3 0 1 -7 20953.5 722.709 3 0 -1 -7 21085.4 777.256 3 0 1 7 21056 756.082 3 0 -1 -8 15583.3 715.068 3 0 1 8 15324 681.653 3 0 1 -8 14601.3 653.569 3 0 1 9 3336.86 347.581 3 0 1 -9 3439.62 349.713 3 0 -1 -9 3443.98 375.94 3 0 -1 -10 3158.59 377.639 3 0 1 -10 2597.38 323.11 3 0 1 10 2638.11 332.043 3 0 1 -11 3695.5 402.394 3 0 -1 -11 3431.11 439.156 3 0 1 11 3274.65 386.042 3 0 -1 -12 22574.7 1030.69 3 0 1 -12 22069 985.575 3 0 1 -13 218.473 171.575 3 0 -1 -13 756.057 261.815 3 0 1 -14 10090.3 728.288 3 0 -1 -14 11737.4 825.757 3 0 1 -15 1143.47 316.56 3 0 -1 -15 1637.31 381.719 3 0 -1 -16 13196.3 942.01 3 0 1 -16 10452.9 812.574 3 0 -1 -17 793.077 362.351 3 0 1 -17 91.1179 216.283 3 0 1 -18 12582.6 954.181 3 0 -1 -18 13521.2 1025.76 3 0 1 -19 1883.45 442.326 3 0 -1 -19 1393.89 445.145 3 0 -1 -20 3092.91 574.657 3 0 1 -20 2991.48 538.276 3 0 1 -21 759.289 385.878 3 0 1 -22 12361.8 1083.7 3 0 1 -23 2627.26 586.694 3 0 1 -24 2023.2 464.374 3 0 1 -25 90.183 294.238 3 0 1 -26 -215.182 337.267 3 0 1 -27 553.151 374.175 3 0 1 -28 417.058 342.814 3 0 2 0 711608 3551.34 1 0 -2 0 697050 3506.41 1 0 2 -1 29975.7 738.706 1 0 2 1 30665.6 740.734 1 0 -2 1 29935.4 738.649 1 0 -2 -1 30600.3 741.448 1 0 2 -2 212262 1976.25 1 0 2 2 214428 1958.73 1 0 -2 2 210249 1967.2 1 0 -2 -2 215854 1961.44 1 0 -2 3 310402 2431.59 1 0 2 -3 312006 2444.87 1 0 -2 -4 101143 1391.19 1 0 2 -4 101617 1438.64 1 0 -2 4 101945 1422.56 1 0 2 -5 158459 1835.7 1 0 2 -6 81783 1351.24 1 0 2 -7 224.265 118.3 1 0 2 7 347.305 159.931 3 0 2 -8 3539.83 346.979 3 0 2 -8 3678.98 312.548 1 0 2 8 3824.29 400.892 3 0 2 -9 5028.58 440.24 3 0 2 9 5667.87 487.606 3 0 2 -9 5855.75 407.327 1 0 2 -10 46826.1 1161.91 1 0 2 10 45301.3 1385.14 3 0 2 -10 47229.4 1350.78 3 0 2 11 9660.62 665.001 3 0 2 -11 9385.28 637.802 3 0 2 -11 9653.55 552.472 1 0 2 -12 39827.2 1126.11 1 0 2 -12 39994.7 1348.14 3 0 2 -13 1861.16 260.116 1 0 2 -13 2144.06 359.111 3 0 2 -14 3606.35 478.717 3 0 2 -14 3497.53 370.927 1 0 2 -15 3058.34 460.495 3 0 2 -15 2467.42 315.389 1 0 2 -16 195.894 217.259 3 0 2 -16 421.927 173.202 1 0 2 -17 6949.54 699.269 3 0 2 -17 7244.02 557.948 1 0 2 -18 11141.1 924.003 3 0 2 -19 142.334 251.845 3 0 2 -20 189.473 290.696 3 0 2 -21 115.626 268.112 3 0 2 -22 5732.51 774.982 3 0 2 -23 18481.1 1353.38 3 0 2 -24 11479.4 1104.24 3 0 2 -25 10290.7 1100.82 3 0 2 -26 7096.65 944.233 3 0 2 -27 454.538 393.337 3 0 -3 0 44.0452 123.8 1 0 3 0 79.6067 126.096 1 0 3 -1 474599 3584.6 1 0 3 1 466385 3540.85 1 0 -3 1 463589 3566.33 1 0 -3 -1 464513 3533.17 1 0 3 -2 70680 1386.79 1 0 3 2 68912.9 1370.59 1 0 -3 -2 69159.5 1371.76 1 0 -3 2 72548.1 1411.59 1 0 -3 3 38812.6 1041.89 1 0 3 -3 37574.6 1035.07 1 0 -3 -3 40479.9 1055.29 1 0 3 -4 73310.5 1457.18 1 0 -3 4 71269 1441.07 1 0 -3 -4 75506 1439.83 1 0 3 -5 658.479 167.589 1 0 -3 5 573.989 172.347 1 0 -3 -5 721.807 185.423 1 0 3 -6 37581.1 1076.46 1 0 -3 -6 37967 1045.97 1 0 -3 -7 1650.35 241.753 1 0 3 -7 1653.26 254.314 1 0 3 -8 160571 2335.95 1 0 -3 -8 165450 2245.25 1 0 3 -9 127376 2096.96 1 0 3 9 127674 2410.58 3 0 3 -10 -136.33 129.884 1 0 3 -11 82523.9 1764.39 1 0 3 -11 89223.8 2023.21 3 0 3 -12 17162.8 826.556 1 0 3 -12 16898.8 927.882 3 0 3 -13 699.332 236.921 3 0 3 -13 817.647 229.86 1 0 3 -14 41.1253 122.932 1 0 3 -14 -88.0485 186.802 3 0 3 -15 -126.822 222.075 3 0 3 -16 629.97 312.903 3 0 3 -17 838.275 330.229 3 0 3 -18 2247.49 461.03 3 0 3 -19 37.5525 291.487 3 0 3 -20 597.497 269.271 3 0 3 -21 307.795 277.575 3 0 3 -22 -82.497 317.65 3 0 3 -23 11775 1098.89 3 0 3 -24 3972.41 682.971 3 0 3 -25 2156.38 487.682 3 0 3 -26 973.925 349.602 3 0 3 -27 -237.596 299.273 3 0 -4 0 8507.78 576.072 1 0 4 0 7079.86 521.283 1 0 4 1 41112.3 1222.97 1 0 -4 1 41916.8 1243.31 1 0 -4 -1 39580.5 1202.41 1 0 4 -1 41422.2 1235.51 1 0 -4 2 75566 1672.42 1 0 4 -2 72134.9 1638.73 1 0 4 2 72433.2 1636.43 1 0 -4 -2 69818 1595.12 1 0 4 -3 48932 1360.33 1 0 -4 3 47986 1346.9 1 0 -4 -3 50264 1359.18 1 0 4 -4 16319.6 801.374 1 0 -4 -4 15951.6 783.014 1 0 -4 4 17059.8 815.529 1 0 -4 -5 38305.5 1200.68 1 0 -4 5 36523.1 1191.26 1 0 4 -5 34695.7 1166.4 1 0 4 -6 137064 2325.69 1 0 -4 -6 135024 2272.84 1 0 -4 6 134623 2308.38 1 0 4 -7 16929 842.013 1 0 -4 -7 14321 750.836 1 0 4 -8 34713.3 1215.87 1 0 -4 -8 34847 1171.29 1 0 -4 -9 11949.5 701.915 1 0 -4 -10 16678.7 832.914 1 0 -4 -11 5185.07 491.341 1 0 -4 -12 12795.3 757.677 1 0 -4 -13 1168.84 275.7 1 0 4 -13 991.743 330.425 3 0 4 -14 659.773 242.158 3 0 -4 -14 1336.09 276.303 1 0 4 -15 670.929 295.274 3 0 -4 -15 336.304 181.004 1 0 -4 -16 2447.84 372.783 1 0 4 -16 1788.41 407.813 3 0 -4 -17 191.777 166.586 1 0 4 -17 592.849 314.927 3 0 4 -18 7105.35 769.67 3 0 -4 -18 6735.17 597.023 1 0 4 -19 4650.4 653.128 3 0 -4 -19 4212.67 482.144 1 0 -4 -20 8716.57 687.352 1 0 4 -20 10761.1 993.435 3 0 4 -21 5480.02 738.898 3 0 4 -22 2937.49 536.759 3 0 4 -23 -0.54057 307.987 3 0 4 -24 24.969 251.152 3 0 4 -25 2328.2 581.984 3 0 4 -26 2774.13 613.083 3 0 -5 0 70.5458 168.872 1 0 -5 -1 5984.56 560.5 1 0 -5 1 5201.36 514.272 1 0 -5 2 74783.7 1876.44 1 0 -5 -2 74033.3 1838.94 1 0 -5 -3 1981.2 347.168 1 0 -5 3 1812.95 333.584 1 0 -5 -4 19356.6 958.482 1 0 -5 4 18838.9 963.256 1 0 -5 -4 19220.3 467.897 2 0 -5 -5 83804.2 1976.83 1 0 -5 5 85353.3 2030.17 1 0 -5 -6 38300.9 1359.75 1 0 -5 6 37835.3 1372.25 1 0 -5 7 1648.89 331.29 1 0 -5 -7 1690.79 331.857 1 0 -5 -8 15164.8 874.062 1 0 -5 -9 24279.2 1093.27 1 0 -5 -10 177.239 196.31 1 0 -5 -11 18394.3 979.713 1 0 -5 -12 18.6698 181.924 1 0 -5 -13 6331.21 589.635 1 0 -5 -14 10056.1 755.703 1 0 5 -14 10155.3 864.883 3 0 5 -15 38512.2 1690.1 3 0 -5 -15 38412.4 1467.35 1 0 -5 -16 1352.76 333.376 1 0 5 -16 877.359 318.229 3 0 -5 -17 6180.62 621.191 1 0 5 -17 6141.32 727.976 3 0 5 -18 6506.61 779.911 3 0 -5 -18 5721.56 601.825 1 0 5 -19 7066.38 821.958 3 0 -5 -19 7957.01 704.958 1 0 5 -20 6201.42 794.784 3 0 5 -21 1463.61 454.768 3 0 5 -22 42.6561 234.317 3 0 5 -23 -253.149 296.686 3 0 5 -24 2759.9 607.692 3 0 5 -25 1243.41 445.03 3 0 -6 0 97.4743 199.585 1 0 -6 -1 54.3619 194.142 1 0 -6 1 427.868 272.916 1 0 -6 2 2205.57 392.998 1 0 -6 -2 3279.59 464.014 1 0 -6 -3 184.66 190.343 1 0 -6 3 313.537 213.141 1 0 -6 -4 25676.7 1219.18 1 0 -6 4 26029.8 1242.34 1 0 -6 -5 8306.08 700.337 1 0 -6 -5 8213.98 325.668 2 0 -6 5 8009.36 712.823 1 0 -6 6 852.811 285.427 1 0 -6 -6 336.143 215.751 1 0 -6 -7 15223.9 942.019 1 0 -6 7 16082.7 996.008 1 0 -6 -8 693.867 306.772 1 0 -6 -9 7056.18 674.539 1 0 -6 -10 12438.1 882.244 1 0 -6 -11 1823.29 366.969 1 0 -6 -12 6609.52 666.935 1 0 -6 -13 3932.59 519.718 1 0 -6 -14 168.897 188.086 1 0 6 -15 4173.88 609.24 3 0 -6 -15 4262.09 545.415 1 0 -6 -16 1355.7 347.763 1 0 6 -16 1769.52 437.008 3 0 6 -17 2824.25 549.825 3 0 -6 -17 2346.88 429.745 1 0 -6 -18 5262.39 631.243 1 0 6 -18 5100.33 726.569 3 0 -6 -19 5689.97 644.693 1 0 6 -19 6763.45 838.06 3 0 6 -20 939.602 347.506 3 0 6 -21 1653.92 436.002 3 0 6 -22 349.606 291.819 3 0 6 -23 1768.07 510.003 3 0 6 -24 212.441 313.289 3 0 -7 0 62.8774 205.12 1 0 -7 -1 37971.3 1614.06 1 0 -7 1 38890.9 1629.62 1 0 -7 -2 28521.4 1398.04 1 0 -7 2 26172.3 1344.74 1 0 -7 -3 2845.19 487.126 1 0 -7 3 2503.99 446.287 1 0 -7 -4 25826.4 1331.04 1 0 -7 4 26823.9 1378.57 1 0 -7 -5 1894.98 418.291 1 0 -7 5 1019.2 285.825 1 0 -7 -6 2279.42 450.849 1 0 -7 6 2046.22 441.79 1 0 -7 -7 2.14271 235.12 1 0 -7 -7 79.7823 90.0363 2 0 -7 7 58.5855 244.929 1 0 -7 -8 33640.4 1528.75 1 0 -7 -8 33275.3 885.276 2 0 -7 -9 10329 878.506 1 0 -7 -10 10497.4 887.49 1 0 -7 -11 10275.2 881.481 1 0 -7 -12 11383.2 928.373 1 0 -7 -13 3837.23 576.267 1 0 -7 -14 3700.22 554.173 1 0 -7 -15 -173.556 248.054 1 0 -7 -16 2613.88 469.538 1 0 -7 -17 6416.56 726.452 1 0 7 -17 5420.77 747.644 3 0 7 -18 1548.06 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19298.9 593.814 1 2 2 4 17763.5 738.572 3 2 2 5 13147.3 472.604 1 2 2 5 13093.5 667.596 3 2 2 6 20642 575.066 1 2 2 6 20311.5 856.729 3 -2 2 -6 20585.1 847.649 3 2 2 7 22015.4 937.559 3 -2 2 -7 22033.3 911.779 3 2 2 7 23111 592.972 1 -2 2 -8 19076.2 895.007 3 2 2 8 18825.5 908.884 3 -2 2 -9 37926.7 870.032 1 -2 2 -9 37301.8 1294.68 3 -2 2 -10 9884.19 697.153 3 -2 2 -10 9764.15 452.566 1 -2 2 -11 3879.6 467.97 3 -2 2 -11 4225.64 299.156 1 -2 2 -12 12004.7 835.668 3 -2 2 -12 10861.3 472.94 1 -2 2 -13 15442.8 965.564 3 -2 2 -13 14918.9 555.808 1 -2 2 -14 8019.99 755.004 3 -2 2 -14 7315.69 398.285 1 -2 2 -15 18183 630.858 1 -2 2 -15 19986.3 1188.43 3 -2 2 -16 45537.2 995.879 1 -2 2 -16 47012.4 1851.89 3 -2 2 -17 2581.3 493.436 3 -2 2 -18 436.94 298.43 3 -2 2 -19 1036.79 380.745 3 -2 2 -20 6316.26 823.18 3 -2 2 -21 2052.32 509.765 3 -2 2 -22 4310.67 730.234 3 -2 2 -23 564.136 305.281 3 -2 2 -24 84.5156 285.815 3 -2 2 -25 321.095 261.424 3 -2 2 -26 207.473 355.15 3 2 3 -24 477.353 270.65 3 2 3 -23 397.948 225.338 3 2 3 -22 1128.03 325.235 3 2 3 -21 2632.21 466.459 3 2 3 -20 234.731 259.553 3 2 3 -19 11700.5 891.349 3 2 3 -18 40.5587 228.65 3 -2 -3 -17 10958 473.929 1 2 3 -17 11622.1 822.117 3 2 3 -16 10345.4 744.487 3 -2 -3 -16 11810.7 502.798 1 2 3 -15 267.106 174.894 3 -2 -3 -15 574.645 135.306 1 2 3 -14 7021.16 589.905 3 -2 -3 -14 7814.2 423.772 1 -2 -3 -13 25956.7 767.788 1 2 3 -13 30910.4 1184.52 3 2 3 -12 10380.1 671.208 3 -2 -3 -12 10057.7 489.555 1 -2 3 11 18869.8 917.566 3 2 3 -11 20331 886.584 3 -2 -3 -11 19617.9 678.6 1 -2 -3 -10 12922 556.314 1 2 -3 10 13346.2 627.218 1 -2 3 10 12626.1 736.135 3 2 -3 9 13897.8 644.321 1 -2 -3 -9 14244.3 585.855 1 2 -3 8 15145.8 667.311 1 -2 -3 -8 15211.1 605.292 1 2 -3 7 125731 1908.87 1 -2 -3 -7 129951 1778.79 1 -2 -3 -6 39121.3 989.183 1 2 -3 6 39622.2 1081.29 1 2 -3 5 24071.4 841.836 1 -2 -3 -5 24398.1 862.989 2 -2 -3 -5 24802.4 797.456 1 2 -3 4 33880.2 1013.96 1 -2 -3 -4 33512 969.662 2 -2 -3 -4 35801.5 977.029 1 -2 -3 -3 195459 2288.6 2 2 -3 3 193742 2427.2 1 2 3 -3 196127 2623.01 1 2 -3 2 5806.97 435.978 1 2 3 -2 5487.69 440.325 1 2 -3 1 29752.6 974.807 1 2 3 -1 28771.3 952.079 1 2 -3 0 21854.7 604.194 2 2 3 0 22526.6 832.843 1 2 3 0 22543.2 738.675 2 2 3 1 27850.2 914.493 1 2 3 1 28924 829.106 2 2 -3 -1 28823.1 706.783 2 -2 3 -2 4959.76 324.327 2 2 3 2 6517.54 433.267 1 -2 3 -3 196059 2071.46 2 2 3 3 196206 2340.78 1 2 3 4 32801.5 934.581 1 2 3 5 23971.5 792.06 1 2 3 6 39512 1002.22 1 2 3 6 39280.8 1306.42 3 2 3 7 126018 1770.5 1 2 3 7 125558 2398.27 3 -2 3 -8 14379.9 658.181 1 -2 3 -9 14277.8 834.222 3 -2 3 -9 14237.4 653.837 1 -2 3 -10 11782.8 593.304 1 -2 3 -10 12995.6 832.409 3 -2 3 -11 18555.9 752.977 1 -2 3 -11 18853.2 1042.54 3 -2 3 -12 10005.7 569.166 1 -2 3 -12 11265.4 830.843 3 -2 3 -13 31588.1 995.953 1 -2 3 -13 31969.7 1418.49 3 -2 3 -14 7322.19 492.023 1 -2 3 -14 8216.56 771.771 3 -2 3 -15 475.752 294.283 3 -2 3 -15 528.074 169 1 -2 3 -16 10296.1 587.43 1 -2 3 -16 11472.4 954.356 3 -2 3 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3 -2 5 -18 2648.83 556.046 3 -2 5 -19 1575.81 475.237 3 -2 5 -20 293.44 268.73 3 -2 5 -21 1729.28 482.857 3 -2 5 -22 1523.45 476.639 3 -2 5 -23 272.724 384.008 3 2 6 -23 973.704 326.67 3 2 6 -22 346.603 256.85 3 2 6 -21 1155.59 365.315 3 2 6 -20 1922.96 426.011 3 2 6 -19 4434.61 635.143 3 2 6 -18 516.39 243.811 3 2 6 -17 203.544 202.471 3 -2 -6 -16 6951.98 626.988 1 2 6 -16 7104.16 737.461 3 -2 -6 -15 3584.59 476.27 1 -2 -6 -14 574.112 222.759 1 -2 -6 -13 888.974 259.764 1 -2 -6 -12 1963.35 351.106 1 -2 -6 -11 6345.89 591.33 1 2 -6 11 5994.88 624.701 1 2 -6 10 7241.17 691.808 1 -2 -6 -10 8574.86 695.324 1 -2 -6 -9 38589.9 1313.67 2 -2 -6 -9 38905.8 1460.79 1 2 -6 9 39513.3 1545.71 1 -2 -6 -8 22716.3 969.648 2 2 -6 8 24711 1230.61 1 -2 -6 -8 24462.2 1161.2 1 -2 -6 -7 8255.87 577.897 2 2 -6 7 8332.32 721.65 1 -2 -6 -7 8804.59 705.294 1 2 -6 6 16702.7 1014.61 1 -2 -6 -6 16308.6 761.212 2 2 -6 5 7546.25 693.377 1 -2 -6 -5 7419.97 665.377 1 2 -6 4 8046.55 720.052 1 -2 -6 -4 8384.62 701.836 1 -2 -6 -3 3273.75 449.727 1 2 -6 3 4835.57 562.996 1 2 6 -2 297.294 151.315 2 -2 -6 -2 207.059 217.08 1 2 -6 2 162.377 249.958 1 2 -6 1 19224.6 1085.19 1 2 6 -1 17864.9 693.396 2 -2 -6 -1 18013.4 1028.24 1 2 6 0 115.504 103.648 2 2 -6 0 -0.31785 191.699 1 -2 -6 0 -13.0021 195.266 1 2 -6 -1 20334.1 1130.43 1 2 -6 -2 12.8679 196.907 1 2 -6 -3 4642.74 569.612 1 2 -6 -4 8332.43 749.378 1 -2 6 -4 9080.71 447.636 2 2 -6 -4 8241.65 319.189 2 2 -6 -5 7406.25 712.451 1 -2 6 -5 6367.29 399.904 2 2 -6 -6 19299.6 1139.23 1 2 -6 -7 9114.43 813.414 1 2 -6 -8 24384 1305.74 1 2 -6 -9 39254.2 1663.11 1 2 -6 -10 8092.19 783.049 1 2 -6 -11 7333.14 749.21 1 2 -6 -12 1878.66 426.076 1 2 -6 -13 758.123 339.192 1 2 -6 -14 259.902 242.242 1 -2 6 -14 1197.84 394.498 3 2 -6 -15 3900.14 589.809 1 -2 6 -15 2750.8 519.885 3 2 -6 -16 6513.76 760.672 1 -2 6 -16 7235.09 850.322 3 -2 6 -17 -127.787 263.125 3 2 -6 -17 678.66 297.364 1 -2 6 -18 1286.51 440.504 3 2 -6 -18 1277.95 368.659 1 2 -6 -19 5293.62 694.285 1 -2 6 -19 4467.77 717.168 3 -2 6 -20 1781.09 499.992 3 2 -6 -20 1874.85 439.239 1 -2 6 -21 1263.68 481.99 3 2 -6 -21 1016.39 348.374 1 -2 6 -22 248.326 385.047 3 2 7 -22 821.529 369.876 3 2 7 -21 1501.3 428.291 3 2 7 -20 1445.72 404.331 3 2 7 -19 12.4036 247.325 3 2 7 -18 576.454 283.748 3 2 7 -17 2031.56 437.585 3 -2 -7 -16 521.94 237.478 1 -2 -7 -15 973.442 283.125 1 -2 -7 -14 2004 392.147 1 -2 -7 -13 2005.9 411.586 1 -2 -7 -12 7211.97 711.243 1 2 -7 11 4291.89 582.247 1 -2 -7 -11 4030.72 534.547 1 -2 -7 -10 8576.41 773.285 1 2 -7 10 8967.53 822.569 1 -2 -7 -9 3665.91 551.22 1 2 -7 9 3617.54 537.434 1 2 -7 8 24952.2 1343.18 1 -2 -7 -8 23727 1256.12 1 2 -7 7 8679.62 814.981 1 -2 -7 -7 7998.52 748.698 1 -2 -7 -7 7543.08 544.097 2 2 -7 6 1250.65 389.307 1 -2 -7 -6 1253.05 380.911 1 -2 -7 -5 34202.8 1524.38 1 2 -7 5 34262.1 1572.97 1 2 -7 4 2947.85 512.578 1 -2 -7 -4 2576.03 473.886 1 2 -7 3 9859.06 869.924 1 2 7 -3 9850.3 546.152 2 -2 -7 -3 9100.31 796.265 1 2 -7 2 15334.9 1075.58 1 2 7 -2 14404.8 615.498 2 -2 -7 -2 15847.1 1042.62 1 2 -7 1 7531.78 772.266 1 2 7 -1 7410.46 425.202 2 -2 -7 -1 7459.21 753.615 1 -2 -7 0 17705.6 1119.94 1 2 -7 0 14801.6 1054.52 1 2 -7 -1 7178.5 734.883 1 2 -7 -2 15915.5 1098.76 1 2 -7 -3 8547.5 823.274 1 2 -7 -4 2448.28 473.856 1 2 -7 -5 34458 1614.75 1 -2 7 -5 32431.6 844.823 2 2 -7 -6 535.82 346.957 1 -2 7 -6 638.794 150.564 2 2 -7 -6 936.104 123.921 2 2 -7 -7 8830.14 857.529 1 2 -7 -8 25192.7 1413.23 1 2 -7 -9 3359.05 581.535 1 2 -7 -10 7628.02 823.643 1 2 -7 -11 3974.12 637.486 1 2 -7 -12 7843.97 835.249 1 2 -7 -13 2522.06 514.725 1 2 -7 -14 1634.73 458.197 1 2 -7 -15 285.651 245.171 1 -2 7 -15 862.32 341.094 3 2 -7 -16 274.033 260.649 1 -2 7 -16 348.873 260.399 3 2 -7 -17 1680.18 421.546 1 -2 7 -17 2154.04 499.306 3 2 -7 -18 1241.3 413.295 1 -2 7 -18 298.382 329.831 3 2 -7 -19 152.236 198.087 1 -2 7 -19 -65.3806 258.77 3 2 -7 -20 1309.45 409.425 1 -2 7 -20 1329.22 466.526 3 2 8 -21 319.343 237.831 3 2 8 -20 101.264 272.396 3 2 8 -19 140.832 279.901 3 2 8 -18 1564.75 428.975 3 -2 -8 -15 236.24 189.178 1 -2 -8 -14 1266.47 371.044 1 -2 -8 -13 822.369 325.103 1 -2 -8 -12 1953.89 436.975 1 -2 -8 -11 1530.39 390.387 1 2 -8 11 1716.91 411.48 1 -2 -8 -10 5745.39 683.145 1 2 -8 10 4593.15 641.671 1 2 -8 9 -149.369 258.513 1 -2 -8 -9 -82.7578 266.536 1 2 -8 8 2649.24 532.029 1 -2 -8 -8 4008.09 610.491 1 -2 -8 -7 6255.34 725.268 1 2 -8 7 7035.22 798.17 1 2 -8 6 671.95 349.779 1 -2 -8 -6 1151.74 355.849 1 2 -8 5 13424.1 1073.9 1 -2 -8 -5 13354.1 1047.67 1 -2 -8 -4 45068.7 1900.55 1 2 -8 4 48081.3 2002.94 1 2 8 -4 46500.8 1182.56 2 2 -8 3 23188.5 1412.21 1 2 8 -3 21058.2 736.29 2 -2 -8 -3 22208.7 1351.17 1 2 -8 2 11746 1013.22 1 -2 -8 -2 10349 937.086 1 2 -8 1 7836.31 828.485 1 -2 -8 -1 8227.56 830.458 1 2 -8 0 8617.22 887.009 1 2 -8 -1 8027.96 863.594 1 2 -8 -2 11844.5 1018.37 1 2 -8 -3 21311.5 1352.37 1 2 -8 -4 46200.6 1986.14 1 2 -8 -5 13757.5 1116.89 1 2 -8 -6 1058.85 408.724 1 2 -8 -7 7657.53 860.757 1 2 -8 -8 3414.65 601.871 1 2 -8 -9 251.616 324.144 1 2 -8 -10 4656.19 683.239 1 2 -8 -11 262.908 266.869 1 2 -8 -12 2732.83 546.014 1 2 -8 -13 1136.15 375.247 1 2 -8 -14 1523.12 456.855 1 2 -8 -15 670.44 328.576 1 2 -8 -16 1238.43 386.388 1 -2 8 -16 1560.29 502.497 3 2 -8 -17 910.919 390.664 1 -2 8 -17 585.253 316.003 3 2 -8 -18 542.248 272.511 1 -2 8 -18 562.063 291.517 3 2 -8 -19 516.059 290.869 1 2 -8 -20 398.079 336.2 1 2 9 -19 24.3358 256.737 3 2 9 -18 -150.278 252.034 3 -2 -9 -14 1992.91 425.421 1 -2 -9 -13 356.16 209.658 1 -2 -9 -12 588.971 304.403 1 -2 -9 -11 520.869 301.804 1 2 -9 11 -7.19186 266.418 1 -2 -9 -10 44.1204 225.037 1 2 -9 10 533.461 281.866 1 2 -9 9 -7.10857 231.158 1 -2 -9 -9 -208.468 237.441 1 -2 -9 -8 3287.79 578.881 1 2 -9 8 3689.31 626.799 1 -2 -9 -7 4123.78 667.537 1 2 -9 7 3998.96 642.501 1 2 -9 6 1827.46 442.738 1 -2 -9 -6 1229.49 382.294 1 -2 -9 -5 3054.67 578.589 1 2 -9 5 2278.44 553.136 1 2 -9 4 -64.4754 318.425 1 -2 -9 -4 -106.778 293.683 1 2 -9 3 2788.86 584.887 1 -2 -9 -3 3212.83 601.239 1 2 -9 2 4205.44 675.296 1 -2 -9 -2 4250.51 653.926 1 -2 -9 -1 18889.7 1341.54 1 2 -9 1 19353.2 1385.04 1 2 -9 0 8003.63 917.905 1 2 -9 -1 19945.3 1403.22 1 2 -9 -2 3724.82 638.854 1 2 -9 -3 2141.87 508.218 1 2 -9 -4 106.632 307.225 1 2 -9 -5 2785.01 568.075 1 2 -9 -6 1291.15 431.73 1 2 -9 -7 3391.47 608.411 1 2 -9 -8 3216.61 599.086 1 2 -9 -9 -84.6998 348.923 1 2 -9 -10 242.052 285.146 1 2 -9 -11 -337.979 354.287 1 2 -9 -12 -236.638 252.934 1 2 -9 -13 794.53 375.653 1 2 -9 -14 1469.85 446.515 1 2 -9 -15 283.425 276.945 1 2 -9 -16 718.235 371.16 1 2 -9 -17 2625.4 552.571 1 2 -9 -18 355.517 336.228 1 2 -9 -19 -292.844 335.379 1 -2 -10 -14 -92.1404 256.62 1 -2 -10 -13 158.914 213.805 1 -2 -10 -12 1376.38 408.892 1 -2 -10 -11 24.9799 252.352 1 2 -10 10 1131.95 450.289 1 -2 -10 -10 104.285 185.07 1 -2 -10 -9 -320.055 252.1 1 2 -10 9 859.196 406.128 1 2 -10 8 1725.06 486.901 1 -2 -10 -8 1979.42 485.178 1 2 -10 7 701.134 353.878 1 -2 -10 -7 545.911 310.255 1 2 -10 6 2891.41 627.715 1 -2 -10 -6 2134.51 491.719 1 2 -10 5 277.957 277.802 1 -2 -10 -5 163.744 227.823 1 2 -10 4 958.235 429.074 1 -2 -10 -4 391.847 312.822 1 -2 -10 -3 4834.34 755.275 1 2 -10 3 5152.97 800.239 1 2 -10 2 635.602 336.166 1 2 -10 1 7152.35 908.075 1 2 -10 0 1387.18 465.206 1 2 -10 -1 7860.69 953.829 1 2 -10 -2 389.18 390.223 1 2 -10 -3 4582.67 765.853 1 2 -10 -4 1128.66 443.245 1 2 -10 -5 475.008 353.979 1 2 -10 -6 2110.02 506.473 1 2 -10 -7 281.689 244.088 1 2 -10 -8 1124.26 368.191 1 2 -10 -9 -122.088 274.807 1 2 -10 -10 184.31 218.661 1 2 -10 -11 -206.23 261.62 1 2 -10 -12 1424.64 464.379 1 2 -10 -13 26.0975 294.81 1 2 -10 -14 -567.015 327.114 1 2 -10 -15 -16.3081 237.391 1 -2 -11 -13 2165.72 527.302 1 -2 -11 -12 446.602 281.654 1 -2 -11 -11 1006.22 389.062 1 -2 -11 -10 -12.4233 241.352 1 2 -11 9 776.562 401.109 1 -2 -11 -9 -450.709 349.24 1 -2 -11 -8 847.199 418.275 1 2 -11 8 863.897 422.738 1 -2 -11 -7 2292.31 578.178 1 2 -11 7 2368.54 576.393 1 -2 -11 -6 953.673 423.277 1 2 -11 6 33.9355 238.986 1 2 -11 5 1481.02 504.49 1 -2 -11 -5 1557.51 508.943 1 2 -11 4 1277.5 455.52 1 2 -11 3 4376.07 784.461 1 2 -11 2 570.987 385.237 1 2 -11 1 9454.75 1115.49 1 2 -11 0 396.977 365.16 1 2 -11 -1 8453.6 1063.98 1 2 -11 -2 -305.201 344.983 1 2 -11 -3 2979.91 661.546 1 2 -11 -4 2319.13 584.922 1 2 -11 -5 1593.92 495.055 1 2 -11 -6 524.851 373.463 1 2 -11 -7 1530.16 475.605 1 -3 0 0 -35.4939 75.6917 3 3 0 0 -45.9923 60.3292 3 3 0 0 2.59311 131.233 2 3 0 1 20484.5 813.411 2 -3 0 1 20361.7 448.684 3 -3 0 -1 20792.5 592.986 3 3 0 1 21740.8 598.323 3 3 0 2 38809.9 1105.79 2 -3 0 -2 40056.8 1149 2 -3 0 2 36344.7 469.411 3 -3 0 -2 37226.8 866.384 3 3 0 2 36601.5 862.397 3 -3 0 -3 57202.7 1383.13 2 3 0 3 57682.6 1162.81 3 -3 0 -3 54863.1 1147.07 3 -3 0 -4 56263.4 1245.53 3 -3 0 -4 59587.9 1437.43 2 3 0 4 56294 1230.17 3 -3 0 -5 7845.31 510.136 3 -3 0 -5 7713.08 552.312 2 3 0 5 7889.23 503.472 3 -3 0 -6 179456 2489.33 3 3 0 6 179465 2470.9 3 -3 0 -7 105890 2034.59 3 3 0 7 105989 2003.84 3 3 0 8 233232 3127.42 3 -3 0 -8 239643 3186.85 3 -3 0 8 234251 1692.63 3 -3 0 -9 52135.8 1553.42 3 -3 0 9 51593.4 898.586 3 -3 0 -10 9.90694 206.265 3 -3 0 10 358.17 116.296 3 -3 0 -11 28176.4 1252.34 3 -3 0 11 26918.8 788.172 3 -3 0 -12 33998.8 1423.61 3 -3 0 12 32409 932.339 3 -3 0 -13 2762.08 479.917 3 -3 0 13 2588.95 289.044 3 -3 0 -14 10972.4 894.353 3 -3 0 14 10118.4 595.451 3 -3 0 -15 498.077 335.346 3 -3 0 -16 33625 1625.63 3 -3 0 -17 4011.61 634.296 3 -3 0 -18 6798.17 802.821 3 -3 0 -19 4129.82 684.945 3 -3 0 -20 4295.07 677.454 3 -3 0 -21 655.056 400.556 3 -3 0 -22 4923.08 779.333 3 -3 0 -23 -242.933 293.384 3 -3 0 -24 161.185 329.027 3 -3 0 -25 29.2094 369.649 3 -3 -1 -25 3648.64 755.794 3 -3 -1 -24 2798.11 659.8 3 -3 -1 -23 1524.94 480.875 3 3 1 -22 1231.77 363.953 3 -3 -1 -22 1525.09 492.842 3 -3 -1 -21 931.61 424.071 3 3 1 -21 1623.59 428.222 3 -3 -1 -20 969.379 409.814 3 3 1 -20 3216.81 495.533 3 3 1 -19 2328 421.807 3 -3 -1 -19 2888.74 605.404 3 3 1 -18 3328.81 425.258 3 -3 -1 -18 4038.92 656.598 3 -3 -1 -17 1989.89 505.805 3 3 1 -17 1417.79 284.444 3 3 1 -16 4968.84 479.098 3 -3 -1 -16 4763.01 658.502 3 -3 -1 -15 4828.5 654.089 3 3 1 -15 4157.04 415.526 3 -3 1 15 3982.62 409.577 3 3 1 -14 1.12594 153.988 3 -3 1 14 10.7155 112.151 3 -3 -1 -14 53.1826 259.672 3 -3 -1 -13 3280.76 508.846 3 -3 1 13 3013.29 331.999 3 3 1 -13 3073.07 328.723 3 -3 1 12 39779.6 1089.08 3 3 1 -12 39705.4 1061.26 3 -3 -1 -12 37550.1 1528.49 3 3 1 -11 21681.3 730.566 3 -3 -1 -11 22153.1 1130.6 3 -3 1 11 21307.9 757.198 3 -3 -1 -10 41114.6 1459.61 3 -3 1 10 38295.4 951.691 3 3 1 -10 39095.1 898.121 3 3 -1 9 12265.1 352.173 1 -3 -1 -9 13276.2 821.049 3 3 1 -9 13205.1 476.606 3 -3 1 9 13331.3 521.807 3 3 -1 8 249179 1712.72 1 3 1 -8 247432 1847.92 3 -3 1 8 249571 2084.54 3 -3 -1 -7 64935 1618.65 3 -3 1 7 63859.9 987.863 3 3 -1 7 64679.9 949.963 1 3 1 -7 64836.4 819.763 3 3 1 -6 92593.4 828.699 3 -3 1 6 92772 1097.75 3 -3 -1 -6 93852.9 1852.68 3 -3 -1 -5 98742.2 1927.05 2 -3 -1 -5 95402.4 1772.66 3 -3 -1 -4 121558 1888.09 3 -3 -1 -4 120694 2087.79 2 -3 -1 -3 43532.8 1063.05 3 -3 -1 -3 43900.2 1229.86 2 3 1 -3 43119.2 523.145 3 -3 -1 -2 22346.4 712.066 3 3 -1 2 20844.2 806.096 2 3 1 -2 21821 446.95 3 -3 -1 -2 22610.1 877.161 2 3 -1 1 18503.8 751.587 2 3 1 -1 18221 465.545 3 3 -1 0 66724.3 1431.03 2 3 1 0 68989 1502.99 2 3 1 0 67477.4 1008.08 3 3 1 1 17745.5 573.076 3 3 1 1 16967 753.804 2 -3 1 -1 17603 580.049 3 3 1 2 22319 853.232 2 -3 1 -2 22654.7 850.814 2 3 1 2 20958.7 682.189 3 -3 1 -2 21345.7 690.885 3 3 1 3 43267.1 1045.49 3 -3 1 -3 44362.9 1214.37 2 -3 1 -3 44753.6 1066.61 3 -3 1 -4 120935 2035.22 2 3 1 4 118628 1858.63 3 -3 1 -4 121231 1854.02 3 -3 1 -5 97544.6 1896.62 2 3 1 5 99229.9 1798.75 3 -3 1 -5 99474.7 1776.8 3 3 1 6 92172.4 1820.65 3 -3 1 -6 92942 1824.41 3 3 1 7 64629.3 1595.93 3 3 1 7 63767.4 791.978 1 -3 1 -7 65406 1607.43 3 3 1 8 241880 1278.35 1 3 1 8 246432 3274.27 3 -3 1 -8 248069 3257.85 3 -3 1 -9 12975 798.254 3 -3 1 -10 41307.7 1442.32 3 -3 1 -11 21595.9 1105.05 3 -3 1 -12 42844.2 1591.85 3 -3 1 -13 3035.5 476.274 3 -3 1 -14 -343.979 316.6 3 -3 1 -15 4088.42 566.954 3 -3 1 -16 5456.88 677.96 3 -3 1 -17 1430.99 433.929 3 -3 1 -18 2446.87 510.149 3 -3 1 -19 2240.07 521.987 3 -3 1 -20 850.847 311.747 3 -3 1 -21 826.827 425.758 3 -3 1 -22 1372.27 494.23 3 -3 1 -23 1200.9 461.048 3 -3 1 -24 2824.38 628.641 3 -3 1 -25 2858.44 656.284 3 3 2 -22 197.91 226.116 3 3 2 -21 2615.86 438.932 3 3 2 -20 2822.65 437.303 3 3 2 -19 6722.61 637.396 3 3 2 -18 6403.57 599.499 3 3 2 -17 429.74 154.962 3 3 2 -16 699.136 194.257 3 -3 -2 -16 770.352 414.383 3 -3 -2 -15 31596.5 1584.26 3 3 2 -15 21803.5 957.536 3 3 2 -14 4608.28 443.15 3 -3 2 14 3847.53 419.348 3 -3 -2 -13 6055.45 732.786 3 -3 2 13 4992.21 456.093 3 3 2 -13 5755.48 455.471 3 -3 -2 -12 9346.87 811.819 3 3 2 -12 7807.96 502.706 3 -3 2 12 7914.92 544.364 3 -3 -2 -11 9440.62 775.547 3 3 2 -11 8446.94 484.857 3 -3 2 11 8297.5 533.21 3 -3 2 10 17154.6 729.089 3 -3 -2 -10 17513.5 1004.88 3 3 2 -10 18547.8 679.984 3 3 -2 10 17535 582.613 1 3 -2 9 4227.4 303.272 1 -3 2 9 4194.86 357.666 3 3 2 -9 4992.42 330.096 3 3 -2 8 8057.24 418.406 1 3 2 -8 8514.45 406.693 3 3 -2 7 30992.4 834.212 1 3 -2 6 36610.2 923.887 1 -3 -2 -6 35988.8 1222.98 2 -3 -2 -5 22521.6 943.847 2 -3 -2 -4 11878.7 668.29 2 -3 -2 -3 19079.9 821.287 2 3 -2 1 188172 2322.15 2 3 -2 0 2544.33 298.413 2 3 2 0 3103.53 349.925 2 3 -2 -1 183754 2341.29 2 3 2 1 189478 2148.65 3 3 2 1 188539 2527.4 2 3 2 2 62598.5 1309.53 3 3 2 2 61794 1443.75 2 -3 2 -2 63752.5 1411.67 2 -3 2 -3 18292.4 778.853 2 3 2 3 17908.6 746.183 3 -3 2 -4 11751.4 639.288 2 3 2 4 11584.4 626.533 3 3 2 4 11717.4 517.892 1 3 2 5 21724.8 904.633 3 -3 2 -5 21203.3 875.731 2 -3 2 -5 19578.9 834.265 3 3 2 5 20429.7 654.752 1 3 2 6 36737.2 836.016 1 3 2 6 36365.2 1216.68 3 -3 2 -6 35573.3 1181.45 3 3 2 7 31258 734.361 1 3 2 7 32171.4 1188.16 3 -3 2 -7 31089.8 1146.59 3 3 2 8 8885.52 375.461 1 -3 2 -8 9227.52 661.25 3 -3 2 -9 4372.42 468.666 3 -3 2 -10 18396.7 1000.56 3 -3 2 -11 8955.16 741.559 3 -3 2 -12 9435.5 772.059 3 -3 2 -13 5866.29 649.364 3 -3 2 -14 3948.21 551.203 3 -3 2 -15 30088.4 1496.35 3 -3 2 -16 379.195 286.308 3 -3 2 -17 292.523 317.47 3 -3 2 -18 5826.58 755.431 3 -3 2 -19 6314.54 810.036 3 -3 2 -20 3286.29 615.752 3 -3 2 -21 1963.32 503.553 3 -3 2 -22 3.46278 304.317 3 -3 2 -23 1642.54 482.925 3 -3 2 -24 1381.8 502.015 3 -3 2 -25 245.289 314.812 3 3 3 -21 3208.82 489.028 3 3 3 -20 1061.14 291.581 3 3 3 -19 6744.36 654.079 3 3 3 -18 5373.2 580.921 3 3 3 -17 18356.1 1002.63 3 3 3 -16 33400.3 1287.23 3 3 3 -15 1309.84 296.741 3 3 3 -14 8612.11 607.609 3 3 3 -13 7350.94 545.046 3 -3 3 12 25659 1067.09 3 3 3 -12 25692.3 962.849 3 -3 3 11 4174.88 431.823 3 3 3 -11 3684.25 367.657 3 3 -3 11 4287.14 357.119 1 3 -3 10 2033.52 259.801 1 3 -3 9 4116.32 358.866 1 3 -3 8 31927.9 991.606 1 3 -3 7 45854.1 1203.44 1 -3 -3 -7 47016.4 1451 2 3 -3 6 20067.1 802.689 1 -3 -3 -6 19663.7 914.974 2 3 -3 5 6959.42 492.284 1 -3 -3 -5 6357.78 518.602 2 3 -3 4 17443.6 774.708 1 -3 -3 -4 16834.7 817.609 2 -3 -3 -3 21741.4 910.819 2 3 -3 1 165774 2140.3 2 3 -3 0 1124.65 184.162 2 3 3 0 1271.51 266.883 2 3 3 1 166903 2389.91 2 3 -3 -1 165159 2163.5 2 3 3 1 167577 2386.95 1 3 3 2 23464 907.663 2 -3 3 -2 25159.4 877.445 2 3 3 2 24722.8 901.054 1 -3 3 -3 20746.3 821.252 2 3 3 3 20403.8 801.933 1 -3 3 -4 17906.7 779.087 2 3 3 4 18591.3 754.833 1 3 3 4 16741.3 832.242 3 -3 3 -5 5844.07 470.859 2 3 3 5 6559.08 439.804 1 3 3 5 5761.66 518.872 3 3 3 6 20282.9 747.782 1 3 3 7 45734.3 1096.97 1 3 3 8 33286.5 913.802 1 -3 3 -8 33509.6 1305.2 3 3 3 9 3562.36 299.61 1 -3 3 -9 3631.78 471.749 3 -3 3 -10 1940.29 359.594 3 -3 3 -11 4619.35 560.471 3 -3 3 -12 27232.2 1331.93 3 -3 3 -13 8031.77 765.784 3 -3 3 -14 9844.03 876.465 3 -3 3 -15 1024.17 361.086 3 -3 3 -16 32562 1648.92 3 -3 3 -17 20152.7 1335.42 3 -3 3 -18 4530.18 701.296 3 -3 3 -19 7248.98 878.916 3 -3 3 -20 1329.23 416.846 3 -3 3 -21 1341.3 392.336 3 -3 3 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