#------------------------------------------------------------------------------ #$Date: 2025-02-27 05:24:54 +0200 (Thu, 27 Feb 2025) $ #$Revision: 297904 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/27/2312773.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_2312773 loop_ _publ_author_name 'Chalupná, Simona' 'Hušák, Michal' 'Čejka, Jan' 'Fňukal, František' 'Klimeš, Jiří' _publ_section_title ; Computation screening for incorrectly determined cocrystal structures. ; _journal_coeditor_code DK5134 _journal_issue 2 _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_paper_doi 10.1107/S205252062500068X _journal_volume 81 _journal_year 2025 _chemical_absolute_configuration unk _chemical_formula_moiety 'C14 H14 N, C14 H13 N, C4 H3 O4' _chemical_formula_sum 'C32 H30 N2 O4' _chemical_formula_weight 506.606 _chemical_name_systematic ; (E)-4-(4-Methylstyryl)pyridine--(E)-but-2-enedioic acid (2/1) ; _space_group_crystal_system monoclinic _space_group_IT_number 9 _space_group_name_Hall 'C -2yc' _space_group_name_H-M_alt 'C 1 c 1' _symmetry_Int_Tables_number 9 _cell_angle_alpha 90 _cell_angle_beta 104.61 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 21.952 _cell_length_b 7.3477 _cell_length_c 17 _cell_measurement_reflns_used 9893 _cell_measurement_temperature 291(2) _cell_measurement_theta_max 54.90 _cell_measurement_theta_min 3.84 _cell_volume 2653.381 _computing_cell_refinement RAPID-AUTO _computing_data_collection 'RAPID-AUTO (Rigaku, 1998)' _computing_data_reduction 'CrystalStructure (Rigaku/MSC, 2002)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5 (Bourhis et al., 2015)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 291(2) _diffrn_measured_fraction_theta_full 0.9987 _diffrn_measured_fraction_theta_max 0.9961 _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_unetI/netI 0.0279 _diffrn_reflns_Laue_measured_fraction_full 0.9987 _diffrn_reflns_Laue_measured_fraction_max 0.9961 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 3033 _diffrn_reflns_point_group_measured_fraction_full 0.9987 _diffrn_reflns_point_group_measured_fraction_max 0.9961 _diffrn_reflns_theta_full 25.2417 _diffrn_reflns_theta_max 27.48 _diffrn_reflns_theta_min 2.48 _exptl_absorpt_coefficient_mu 0.084 _exptl_absorpt_correction_T_max 0.9809 _exptl_absorpt_correction_T_min 0.9794 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'ABSCOR (Higashi, 1995)' _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.268 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1072.641 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.23 _refine_diff_density_max 0.4109 _refine_diff_density_min -0.3025 _refine_diff_density_rms 0.0674 _refine_ls_d_res_high 0.7701 _refine_ls_d_res_low 8.2252 _refine_ls_goodness_of_fit_ref 0.9802 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 463 _refine_ls_number_reflns 3032 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 0.9802 _refine_ls_R_factor_all 0.0501 _refine_ls_R_factor_gt 0.0416 _refine_ls_shift/su_max -0.0008 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0700P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0975 _refine_ls_wR_factor_ref 0.1007 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 27 _reflns_limit_h_min -28 _reflns_limit_k_max 9 _reflns_limit_k_min 0 _reflns_limit_l_max 22 _reflns_limit_l_min 0 _reflns_number_gt 2447 _reflns_number_total 3032 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL I OLEX2: imported from CIF CELL 0.71073 21.952 7.3477 17 90 104.61 90 ZERR 4 0 0 0 0 0 0 LATT -7 SYMM +X,-Y,0.5+Z SFAC C H N O DISP C 0.0033 0.0016 DISP H 0 0 DISP N 0.0061 0.0033 DISP O 0.0106 0.006 UNIT 128 120 8 16 SIZE 0.25 0.24 0.23 TEMP 18(2) CONF MORE -1 BOND $H ACTA OMIT 2 0 0 WGHT 0.070042 0 FVAR 0.656184 REM REM REM C15 1 0.60752 0.60487 0.34080 11.00000 0.04146 0.06458 0.02941 = -0.00598 0.00613 0.00752 H15 2 0.58925 0.59304 0.39058 11.00000 0.09000 C16 1 0.56789 0.61155 0.26338 11.00000 0.03218 0.05532 0.04073 = -0.00593 0.00238 0.00118 H16 2 0.52709 0.58567 0.26335 11.00000 0.08439 C17 1 0.59273 0.64707 0.19763 11.00000 0.04646 0.03876 0.03157 = -0.00250 -0.00008 0.00259 C18 1 0.65724 0.67329 0.21383 11.00000 0.04144 0.06421 0.03450 = 0.00065 0.00471 -0.00086 H18 2 0.68144 0.70879 0.16462 11.00000 0.07435 C19 1 0.69335 0.66475 0.29199 11.00000 0.03732 0.07069 0.03459 = 0.00089 0.00317 -0.00205 H19 2 0.74509 0.68360 0.30287 11.00000 0.07415 C20 1 0.55626 0.65251 0.11243 11.00000 0.03762 0.05609 0.02700 = -0.00243 0.00134 0.00214 H20 2 0.57008 0.66125 0.05677 11.00000 0.12419 C21 1 0.49352 0.64054 0.08578 11.00000 0.03747 0.05045 0.03437 = -0.00170 0.00160 0.00343 H21 2 0.46712 0.62308 0.13406 11.00000 0.08852 C22 1 0.45837 0.64265 0.00064 11.00000 0.04195 0.04166 0.03530 = -0.00236 -0.00526 0.00024 C23 1 0.39500 0.60765 -0.01877 11.00000 0.04838 0.05656 0.04028 = -0.00110 0.00148 -0.00011 H23 2 0.37271 0.58311 0.02795 11.00000 0.10123 C24 1 0.35944 0.60443 -0.09922 11.00000 0.04142 0.05403 0.04465 = -0.00333 -0.00642 -0.00120 H24 2 0.30896 0.57150 -0.10928 11.00000 0.07934 C25 1 0.38725 0.63882 -0.16339 11.00000 0.04938 0.04266 0.03847 = -0.00361 -0.00912 0.00086 C26 1 0.34804 0.63639 -0.24989 11.00000 0.07306 0.05985 0.04213 = -0.00350 -0.01798 0.00542 H26A 2 0.31586 0.53499 -0.25982 11.00000 0.08735 H26B 2 0.36176 0.52902 -0.28388 11.00000 0.14722 H26C 2 0.32913 0.76608 -0.26271 11.00000 0.09793 C27 1 0.45063 0.67667 -0.14368 11.00000 0.04696 0.05895 0.04292 = 0.00917 0.00410 -0.00045 H27 2 0.47140 0.70044 -0.19015 11.00000 0.10237 C28 1 0.48630 0.67936 -0.06406 11.00000 0.04077 0.05785 0.04679 = 0.00469 -0.00204 -0.00214 H28 2 0.53475 0.69916 -0.05465 11.00000 0.07065 N2 3 0.66951 0.63245 0.35527 11.00000 0.03578 0.05334 0.02632 = -0.00602 0.00079 0.00360 C1 1 0.90161 0.57718 1.00264 11.00000 0.03649 0.04810 0.02775 = 0.00077 0.00297 -0.00160 H1 2 0.85753 0.51716 1.00097 11.00000 0.06912 C2 1 0.94583 0.58476 1.07619 11.00000 0.04298 0.04830 0.02724 = 0.00318 0.00387 0.00029 H2 2 0.92652 0.55665 1.12635 11.00000 0.08121 C3 1 1.00629 0.65047 1.08077 11.00000 0.03651 0.04116 0.03133 = -0.00745 -0.00445 0.00599 C4 1 1.01824 0.71168 1.00805 11.00000 0.03383 0.05012 0.03834 = -0.00332 0.00495 -0.00596 H4 2 1.06095 0.76402 1.00702 11.00000 0.10236 C5 1 0.97167 0.70131 0.93709 11.00000 0.03937 0.04639 0.03191 = 0.00137 0.00637 -0.00023 H5 2 0.97950 0.74537 0.88270 11.00000 0.06681 C6 1 1.05819 0.66384 1.15350 11.00000 0.04371 0.05155 0.03029 = -0.00236 -0.00352 -0.00000 H6 2 1.10619 0.74764 1.15772 11.00000 0.07096 C7 1 1.05689 0.59741 1.22568 11.00000 0.04306 0.04520 0.04023 = 0.00024 0.00821 0.00085 H7 2 1.01234 0.53494 1.23004 11.00000 0.09538 C8 1 1.10851 0.60814 1.29961 11.00000 0.04548 0.04024 0.03046 = -0.00143 0.00024 0.00540 C9 1 1.09622 0.55306 1.37166 11.00000 0.04145 0.05626 0.03875 = -0.00126 0.00084 0.00048 H9 2 1.04922 0.49342 1.37173 11.00000 0.06828 C10 1 1.14126 0.56303 1.44404 11.00000 0.04349 0.05548 0.02946 = 0.00154 0.00491 -0.00025 H10 2 1.12856 0.50543 1.49057 11.00000 0.08558 C11 1 1.20201 0.62732 1.44992 11.00000 0.03817 0.04034 0.02980 = -0.00074 -0.00142 0.00390 C12 1 1.24973 0.63669 1.53049 11.00000 0.05269 0.06436 0.04555 = 0.00072 -0.00782 0.00360 H12A 2 1.22449 0.57812 1.56580 11.00000 0.13140 H12B 2 1.28854 0.71906 1.52555 11.00000 0.11424 H12C 2 1.28155 0.51984 1.53833 11.00000 0.13268 C13 1 1.21432 0.68327 1.37766 11.00000 0.04271 0.05369 0.04337 = 0.00431 0.00851 -0.00421 H13 2 1.25830 0.72073 1.38216 11.00000 0.07149 C14 1 1.16915 0.67457 1.30407 11.00000 0.07101 0.05228 0.03194 = 0.00818 0.01422 0.00639 H14 2 1.17856 0.70975 1.24893 11.00000 0.11937 C29 1 0.86426 0.65249 0.73736 11.00000 0.03290 0.05467 0.02520 = -0.00579 0.00556 0.00103 C30 1 0.82181 0.65183 0.65359 11.00000 0.03160 0.05373 0.02306 = -0.00021 0.00554 -0.00002 H30 2 0.84014 0.68223 0.60950 11.00000 0.09979 C31 1 0.76037 0.62398 0.63721 11.00000 0.03238 0.05919 0.02898 = 0.00181 0.00658 0.00219 H31 2 0.73879 0.61119 0.68356 11.00000 0.07076 C32 1 0.71832 0.62061 0.55379 11.00000 0.02654 0.05009 0.03120 = 0.00113 -0.00043 0.00281 N1 3 0.91516 0.63466 0.93416 11.00000 0.03088 0.04148 0.02664 = 0.00082 -0.00097 0.00147 O1 4 0.83719 0.62811 0.79526 11.00000 0.03595 0.07016 0.02225 = 0.00195 0.00468 0.00212 H1A 2 0.87540 0.63580 0.87104 11.00000 0.04483 O2 4 0.92072 0.67367 0.74536 11.00000 0.03111 0.10239 0.02843 = -0.00527 0.00451 -0.00720 O3 4 0.74517 0.63172 0.49487 11.00000 0.03477 0.07512 0.02688 = -0.00101 0.00121 0.00186 H3 2 0.71671 0.62933 0.44058 11.00000 0.09644 O4 4 0.66133 0.60493 0.54450 11.00000 0.03057 0.10549 0.03853 = 0.00979 0.00180 0.00160 HKLF 4 END Q1 1 1.086667 0.66 1.2 11 0.05 0.41 REM The information below was added by Olex2. REM REM R1 = 0.0416 for 2447 Fo > 4sig(Fo) and 0.0501 for all 3032 data REM 463 parameters refined using 2 restraints REM Highest difference peak 0.4109, deepest hole -0.3025 REM Mean Shift 0.0000, Max Shift -0.0008. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0501 REM R1_gt = 0.0416 REM wR_ref = 0.1007 REM GOOF = 0.9802 REM Shift_max = -0.0008 REM Shift_mean = 0.0000 REM Reflections_all = 3032 REM Reflections_gt = 2447 REM Parameters = 463 REM Hole = -0.3025 REM Peak = 0.4109 REM Flack = n/a ; _cod_data_source_file dk5134.cif _cod_data_source_block TIGNUT _cod_original_cell_volume 2653.380524 _cod_original_sg_symbol_Hall ' C -2yc' _cod_database_code 2312773 _olex2_refinement_description ; ; _olex2_refine_details ; Refinement using NoSpherA2, an implementation of NOn-SPHERical Atom-form-factors in Olex2. Please cite: F. Kleemiss et al. Chem. Sci. DOI 10.1039/D0SC05526C - 2021 NoSpherA2 implementation of HAR makes use of tailor-made aspherical atomic form factors calculated on-the-fly from a Hirshfeld-partitioned electron density (ED) - not from spherical-atom form factors. The ED is calculated from a gaussian basis set single determinant SCF wavefunction - either Hartree-Fock or DFT using selected funtionals - for a fragment of the crystal. This fragment can be embedded in an electrostatic crystal field by employing cluster charges or modelled using implicit solvation models, depending on the software used. The following options were used: SOFTWARE: ORCA 5.0 PARTITIONING: NoSpherA2 INT ACCURACY: Low METHOD: R2SCAN BASIS SET: def2-TZVP CHARGE: 0 MULTIPLICITY: 1 DATE: 2024-03-11_13-32-12 ; _shelx_refln_list_code 4 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x,-y,z+1/2 3 x+1/2,y+1/2,z 4 x+1/2,-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_refinement_flags_posn C15 C 0.60752(12) 0.6049(4) 0.34080(16) 0.0457(7) Uani 1.000000 . H15 H 0.5893(17) 0.593(5) 0.391(2) 0.090(10) Uiso 1.000000 . C16 C 0.56789(12) 0.6116(4) 0.26338(17) 0.0440(6) Uani 1.000000 . H16 H 0.5271(19) 0.586(5) 0.263(2) 0.084(10) Uiso 1.000000 . C17 C 0.59273(13) 0.6471(3) 0.19763(16) 0.0407(6) Uani 1.000000 . C18 C 0.65724(13) 0.6733(4) 0.21383(16) 0.0476(7) Uani 1.000000 . H18 H 0.6814(16) 0.709(5) 0.165(2) 0.074(9) Uiso 1.000000 . C19 C 0.69335(13) 0.6648(4) 0.29199(17) 0.0486(7) Uani 1.000000 . H19 H 0.7451(16) 0.684(5) 0.303(2) 0.074(9) Uiso 1.000000 . C20 C 0.55626(12) 0.6525(4) 0.11243(15) 0.0415(6) Uani 1.000000 . H20 H 0.570(3) 0.661(7) 0.057(3) 0.124(17) Uiso 1.000000 . C21 C 0.49352(12) 0.6405(4) 0.08578(16) 0.0421(6) Uani 1.000000 . H21 H 0.4671(18) 0.623(5) 0.134(2) 0.089(12) Uiso 1.000000 . C22 C 0.45837(14) 0.6426(4) 0.00064(16) 0.0423(6) Uani 1.000000 . C23 C 0.39500(14) 0.6077(4) -0.01877(19) 0.0501(7) Uani 1.000000 . H23 H 0.373(2) 0.583(6) 0.028(3) 0.101(13) Uiso 1.000000 . C24 C 0.35944(14) 0.6044(4) -0.09922(18) 0.0498(7) Uani 1.000000 . H24 H 0.3090(18) 0.571(5) -0.109(2) 0.079(10) Uiso 1.000000 . C25 C 0.38725(14) 0.6388(4) -0.16339(18) 0.0471(7) Uani 1.000000 . C26 C 0.34804(18) 0.6364(5) -0.2499(2) 0.0642(10) Uani 1.000000 . H26A H 0.316(2) 0.535(6) -0.260(3) 0.087(12) Uiso 1.000000 . H26B H 0.362(3) 0.529(8) -0.284(3) 0.147(18) Uiso 1.000000 . H26C H 0.329(2) 0.766(6) -0.263(2) 0.098(11) Uiso 1.000000 . C27 C 0.45063(14) 0.6767(4) -0.14368(19) 0.0509(7) Uani 1.000000 . H27 H 0.4714(19) 0.700(6) -0.190(3) 0.102(13) Uiso 1.000000 . C28 C 0.48630(14) 0.6794(4) -0.0641(2) 0.0508(7) Uani 1.000000 . H28 H 0.5348(16) 0.699(4) -0.055(2) 0.071(9) Uiso 1.000000 . N2 N 0.66951(10) 0.6325(3) 0.35527(13) 0.0397(5) Uani 1.000000 . C1 C 0.90161(12) 0.5772(4) 1.00264(14) 0.0384(5) Uani 1.000000 . H1 H 0.8575(15) 0.517(4) 1.0010(18) 0.069(8) Uiso 1.000000 . C2 C 0.94583(13) 0.5848(4) 1.07619(15) 0.0404(6) Uani 1.000000 . H2 H 0.9265(16) 0.557(5) 1.126(2) 0.081(10) Uiso 1.000000 . C3 C 1.00629(11) 0.6505(3) 1.08077(15) 0.0387(6) Uani 1.000000 . C4 C 1.01824(12) 0.7117(4) 1.00805(15) 0.0415(6) Uani 1.000000 . H4 H 1.0610(18) 0.764(5) 1.007(2) 0.102(11) Uiso 1.000000 . C5 C 0.97167(12) 0.7013(4) 0.93709(16) 0.0397(6) Uani 1.000000 . H5 H 0.9795(14) 0.745(4) 0.8827(19) 0.067(8) Uiso 1.000000 . C6 C 1.05819(13) 0.6638(4) 1.15350(16) 0.0442(6) Uani 1.000000 . H6 H 1.1062(16) 0.748(5) 1.1577(19) 0.071(9) Uiso 1.000000 . C7 C 1.05689(13) 0.5974(4) 1.22568(16) 0.0432(6) Uani 1.000000 . H7 H 1.012(2) 0.535(6) 1.230(2) 0.095(11) Uiso 1.000000 . C8 C 1.10851(13) 0.6081(4) 1.29961(16) 0.0404(6) Uani 1.000000 . C9 C 1.09622(13) 0.5531(4) 1.37166(16) 0.0472(6) Uani 1.000000 . H9 H 1.0492(15) 0.493(4) 1.3717(18) 0.068(8) Uiso 1.000000 . C10 C 1.14126(13) 0.5630(4) 1.44404(16) 0.0436(6) Uani 1.000000 . H10 H 1.1286(16) 0.505(5) 1.491(2) 0.086(10) Uiso 1.000000 . C11 C 1.20201(12) 0.6273(3) 1.44992(16) 0.0379(6) Uani 1.000000 . C12 C 1.24973(17) 0.6367(5) 1.5305(2) 0.0578(9) Uani 1.000000 . H12A H 1.224(2) 0.578(7) 1.566(4) 0.131(18) Uiso 1.000000 . H12B H 1.289(2) 0.719(7) 1.526(3) 0.114(16) Uiso 1.000000 . H12C H 1.282(3) 0.520(8) 1.538(3) 0.133(16) Uiso 1.000000 . C13 C 1.21432(14) 0.6833(4) 1.37766(17) 0.0470(6) Uani 1.000000 . H13 H 1.2583(16) 0.721(4) 1.3822(18) 0.071(9) Uiso 1.000000 . C14 C 1.16915(17) 0.6746(4) 1.30407(17) 0.0515(7) Uani 1.000000 . H14 H 1.1786(19) 0.710(6) 1.249(3) 0.119(13) Uiso 1.000000 . C29 C 0.86426(12) 0.6525(4) 0.73736(15) 0.0379(6) Uani 1.000000 . C30 C 0.82181(11) 0.6518(4) 0.65359(14) 0.0364(6) Uani 1.000000 . H30 H 0.840(2) 0.682(5) 0.609(3) 0.100(12) Uiso 1.000000 . C31 C 0.76037(12) 0.6240(4) 0.63721(16) 0.0404(6) Uani 1.000000 . H31 H 0.7388(17) 0.611(4) 0.684(2) 0.071(9) Uiso 1.000000 . C32 C 0.71832(11) 0.6206(3) 0.55379(15) 0.0373(6) Uani 1.000000 . N1 N 0.91516(10) 0.6347(3) 0.93416(13) 0.0345(4) Uani 1.000000 . O1 O 0.83719(9) 0.6281(3) 0.79526(10) 0.0433(5) Uani 1.000000 . H1A H 0.8754(18) 0.636(4) 0.871(3) 0.045(10) Uiso 1.000000 . O2 O 0.92072(8) 0.6737(3) 0.74536(11) 0.0545(5) Uani 1.000000 . O3 O 0.74517(9) 0.6317(3) 0.49487(11) 0.0468(5) Uani 1.000000 . H3 H 0.717(3) 0.629(7) 0.441(4) 0.096(16) Uiso 1.000000 . O4 O 0.66133(9) 0.6049(3) 0.54450(12) 0.0594(6) Uani 1.000000 . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C15 0.0415(14) 0.0646(18) 0.0294(13) 0.0075(12) 0.0061(11) -0.0060(12) C16 0.0322(14) 0.0553(15) 0.0407(14) 0.0012(11) 0.0024(11) -0.0059(11) C17 0.0465(15) 0.0388(13) 0.0316(13) 0.0026(10) -0.0001(11) -0.0025(10) C18 0.0414(14) 0.0642(18) 0.0345(13) -0.0009(12) 0.0047(11) 0.0006(12) C19 0.0373(14) 0.0707(18) 0.0346(14) -0.0020(12) 0.0032(11) 0.0009(12) C20 0.0376(14) 0.0561(16) 0.0270(12) 0.0021(11) 0.0013(10) -0.0024(10) C21 0.0375(14) 0.0505(15) 0.0344(13) 0.0034(10) 0.0016(11) -0.0017(11) C22 0.0420(14) 0.0417(13) 0.0353(13) 0.0002(10) -0.0053(11) -0.0024(10) C23 0.0484(16) 0.0566(16) 0.0403(15) -0.0001(12) 0.0015(13) -0.0011(12) C24 0.0414(15) 0.0540(16) 0.0446(16) -0.0012(12) -0.0064(12) -0.0033(12) C25 0.0494(17) 0.0427(16) 0.0385(15) 0.0009(11) -0.0091(13) -0.0036(11) C26 0.073(2) 0.060(2) 0.0421(18) 0.0054(17) -0.0180(16) -0.0035(15) C27 0.0470(15) 0.0590(17) 0.0429(16) -0.0005(12) 0.0041(13) 0.0092(13) C28 0.0408(15) 0.0579(17) 0.0468(16) -0.0021(12) -0.0020(12) 0.0047(13) N2 0.0358(12) 0.0533(13) 0.0263(11) 0.0036(9) 0.0008(8) -0.0060(9) C1 0.0365(12) 0.0481(14) 0.0277(12) -0.0016(11) 0.0030(9) 0.0008(10) C2 0.0430(13) 0.0483(14) 0.0272(12) 0.0003(11) 0.0039(10) 0.0032(10) C3 0.0365(13) 0.0412(14) 0.0313(13) 0.0060(10) -0.0045(10) -0.0074(10) C4 0.0338(12) 0.0501(14) 0.0383(14) -0.0060(11) 0.0050(11) -0.0033(11) C5 0.0394(13) 0.0464(14) 0.0319(12) -0.0002(11) 0.0064(11) 0.0014(11) C6 0.0437(14) 0.0516(15) 0.0303(13) -0.0000(12) -0.0035(11) -0.0024(11) C7 0.0431(13) 0.0452(14) 0.0402(15) 0.0008(11) 0.0082(12) 0.0002(11) C8 0.0455(14) 0.0402(14) 0.0305(13) 0.0054(11) 0.0002(11) -0.0014(10) C9 0.0415(14) 0.0563(16) 0.0388(14) 0.0005(12) 0.0008(11) -0.0013(12) C10 0.0435(14) 0.0555(16) 0.0295(13) -0.0002(12) 0.0049(11) 0.0015(12) C11 0.0382(14) 0.0403(14) 0.0298(13) 0.0039(10) -0.0014(11) -0.0007(10) C12 0.0527(18) 0.064(2) 0.0455(18) 0.0036(15) -0.0078(15) 0.0007(14) C13 0.0427(14) 0.0537(16) 0.0434(16) -0.0042(12) 0.0085(12) 0.0043(12) C14 0.071(2) 0.0523(16) 0.0319(14) 0.0064(14) 0.0142(14) 0.0082(12) C29 0.0329(13) 0.0547(15) 0.0252(11) 0.0010(10) 0.0056(10) -0.0058(10) C30 0.0316(13) 0.0537(15) 0.0231(11) -0.0000(10) 0.0055(10) -0.0002(10) C31 0.0324(12) 0.0592(17) 0.0290(13) 0.0022(11) 0.0066(11) 0.0018(11) C32 0.0265(12) 0.0501(15) 0.0312(12) 0.0028(10) -0.0004(9) 0.0011(11) N1 0.0309(10) 0.0415(11) 0.0266(10) 0.0015(8) -0.0010(8) 0.0008(8) O1 0.0360(9) 0.0702(12) 0.0223(8) 0.0021(8) 0.0047(7) 0.0020(8) O2 0.0311(9) 0.1024(16) 0.0284(9) -0.0072(9) 0.0045(7) -0.0053(9) O3 0.0348(9) 0.0751(14) 0.0269(9) 0.0019(8) 0.0012(7) -0.0010(8) O4 0.0306(9) 0.1055(17) 0.0385(10) 0.0016(10) 0.0018(8) 0.0098(10) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00330 0.00160 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' H 0.00000 0.00000 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' N 0.00610 0.00330 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' O 0.01060 0.00600 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 6 0 -22 94.2 5.74 8 0 -22 36.93 3.78 1 1 -21 91.6 10.05 3 1 -21 -2.09 4.3 5 1 -21 24.66 4.3 7 1 -21 26.88 3.65 9 1 -21 4.3 3.26 11 1 -21 29.62 4.05 13 1 -21 11.09 3 2 2 -21 344.59 6.52 4 2 -21 35.1 6.39 6 2 -21 13.05 3.13 8 2 -21 86.64 5.09 10 2 -21 19.31 5.22 12 2 -21 33.4 5.74 2 0 -20 8.87 6.78 4 0 -20 5.74 3.39 6 0 -20 73.59 4.57 8 0 -20 86.38 4.3 10 0 -20 63.02 3.39 12 0 -20 34.71 3.52 14 0 -20 7.05 3.65 16 0 -20 -0.13 4.7 18 0 -20 57.41 7.96 1 1 -20 6.78 4.43 3 1 -20 18.4 3.78 5 1 -20 0.52 4.18 7 1 -20 10.96 5.87 9 1 -20 9.65 3.65 11 1 -20 29.62 4.43 13 1 -20 14.22 3.78 15 1 -20 1.43 3.26 17 1 -20 0.13 3.65 2 2 -20 46.19 4.83 4 2 -20 14.87 4.18 6 2 -20 2.48 5.09 8 2 -20 3.26 4.96 10 2 -20 6.26 3.52 12 2 -20 10.57 2.87 14 2 -20 5.48 4.3 16 2 -20 9.65 6.65 1 3 -20 0.13 6.52 3 3 -20 18.01 3.39 5 3 -20 2.09 6 7 3 -20 6.78 6.92 9 3 -20 15.79 4.05 11 3 -20 18.01 3.26 13 3 -20 2.22 5.35 6 4 -20 8.09 5.61 1 1 -19 5.87 4.3 3 1 -19 21.92 3.78 5 1 -19 8.35 5.87 7 1 -19 2.09 3 9 1 -19 77.5 3 11 1 -19 28.83 3.52 13 1 -19 2.22 4.18 15 1 -19 30.27 3.26 17 1 -19 13.31 4.3 19 1 -19 26.75 4.18 2 2 -19 8.61 4.7 4 2 -19 19.96 3.13 6 2 -19 34.18 3.13 8 2 -19 27.4 3.26 10 2 -19 29.49 2.87 12 2 -19 5.09 4.3 14 2 -19 21.79 3.39 16 2 -19 12.91 3.78 18 2 -19 9 5.22 1 3 -19 26.62 5.09 3 3 -19 11.61 3.78 5 3 -19 18.13 3.78 7 3 -19 1.3 6.92 9 3 -19 19.05 2.48 11 3 -19 0.78 4.05 13 3 -19 0.39 4.43 15 3 -19 19.83 4.18 17 3 -19 19.7 4.57 2 4 -19 18.66 3.65 4 4 -19 8.35 3.52 6 4 -19 0 4.18 8 4 -19 3.39 3.78 10 4 -19 0.39 3.52 12 4 -19 3.78 5.74 14 4 -19 9.65 4.18 2 0 -18 57.67 3.39 4 0 -18 19.96 5.09 6 0 -18 3.92 3.52 8 0 -18 3.78 3 10 0 -18 17.48 3 12 0 -18 99.03 4.57 14 0 -18 17.62 2.87 16 0 -18 5.61 3.13 18 0 -18 5.61 3.92 20 0 -18 3 6.65 1 1 -18 16.57 4.96 3 1 -18 12.13 5.61 5 1 -18 3.92 2.61 7 1 -18 25.7 3.26 9 1 -18 9.4 2.61 11 1 -18 1.17 2.61 13 1 -18 105.43 5.35 15 1 -18 12.4 2.22 17 1 -18 6.65 5.74 19 1 -18 14.62 2.61 21 1 -18 1.3 4.7 2 2 -18 4.83 2.61 4 2 -18 30.79 4.05 6 2 -18 16.57 3.26 8 2 -18 24.92 3.39 10 2 -18 8.09 3 12 2 -18 8.74 5.35 14 2 -18 1.43 2.74 16 2 -18 0.26 3 18 2 -18 5.48 4.57 20 2 -18 2.74 3.52 1 3 -18 21.14 4.43 3 3 -18 19.05 4.96 5 3 -18 10.57 5.35 7 3 -18 70.46 9.65 9 3 -18 62.24 4.96 11 3 -18 12.13 1.96 13 3 -18 37.18 5.35 15 3 -18 2.61 3.52 17 3 -18 23.23 4.3 19 3 -18 12.79 4.18 2 4 -18 11.74 4.18 4 4 -18 2.35 4.43 6 4 -18 19.57 4.57 8 4 -18 97.73 6.13 10 4 -18 12.27 2.74 12 4 -18 0.65 3.26 14 4 -18 1.17 4.83 16 4 -18 0.13 3.78 1 5 -18 12.66 7.18 3 5 -18 3.65 4.83 5 5 -18 0.26 4.96 7 5 -18 108.82 18.79 9 5 -18 52.19 7.83 11 5 -18 18.4 8.87 1 1 -17 5.22 3.92 3 1 -17 71.5 2.87 5 1 -17 50.5 3.78 7 1 -17 177.58 4.43 9 1 -17 103.99 2.35 11 1 -17 97.46 3.39 13 1 -17 59.24 4.05 15 1 -17 20.35 2.74 17 1 -17 15.27 2.61 19 1 -17 22.44 4.96 21 1 -17 5.87 4.96 2 2 -17 38.1 4.7 4 2 -17 21.66 3 6 2 -17 164.79 6.39 8 2 -17 119.39 6 10 2 -17 42.27 3.65 12 2 -17 6.39 3 14 2 -17 4.18 2.61 16 2 -17 5.74 3.13 18 2 -17 8.48 3.13 20 2 -17 40.84 8.09 22 2 -17 13.7 3.65 1 3 -17 7.57 3.78 3 3 -17 37.84 4.05 5 3 -17 188.67 7.44 7 3 -17 277.91 11.61 9 3 -17 47.1 5.09 11 3 -17 69.28 4.57 13 3 -17 12.91 2.48 15 3 -17 2.48 2.48 17 3 -17 17.62 4.05 19 3 -17 3.52 7.31 2 4 -17 26.23 4.83 4 4 -17 47.88 5.48 6 4 -17 112.6 5.87 8 4 -17 18.13 3.39 10 4 -17 31.58 4.96 12 4 -17 4.3 3.26 14 4 -17 1.04 2.87 16 4 -17 13.83 5.09 18 4 -17 10.18 5.48 1 5 -17 31.32 4.7 3 5 -17 1.83 3.78 5 5 -17 78.81 6.26 7 5 -17 140.78 9.92 9 5 -17 81.81 8.74 11 5 -17 3.65 9.78 13 5 -17 1.7 5.74 15 5 -17 3.52 4.18 4 6 -17 21.01 6.13 6 6 -17 48.54 8.61 8 6 -17 21.53 8.48 2 0 -16 209.94 7.44 4 0 -16 854.49 11.87 6 0 -16 382.04 3.78 8 0 -16 147.96 3.52 10 0 -16 17.62 3 12 0 -16 24.4 3.26 14 0 -16 89.11 4.83 16 0 -16 49.45 4.83 18 0 -16 257.17 16.57 20 0 -16 12.27 2.74 22 0 -16 7.96 6.39 24 0 -16 75.55 7.31 1 1 -16 235.64 9.78 3 1 -16 235.9 8.48 5 1 -16 1048.64 24.14 7 1 -16 296.58 4.96 9 1 -16 133.09 4.7 11 1 -16 70.33 3.13 13 1 -16 7.44 2.87 15 1 -16 17.62 1.96 17 1 -16 55.06 4.96 19 1 -16 0.52 3 21 1 -16 14.87 3 23 1 -16 14.22 3.52 2 2 -16 63.41 5.35 4 2 -16 181.88 4.18 6 2 -16 10.44 3.13 8 2 -16 50.23 3.13 10 2 -16 30.53 2.87 12 2 -16 2.87 2.87 14 2 -16 6.52 3.13 16 2 -16 1.96 4.7 18 2 -16 14.74 4.18 20 2 -16 14.87 5.22 22 2 -16 8.09 3.78 1 3 -16 68.63 4.7 3 3 -16 161.14 6.13 5 3 -16 594.45 12.79 7 3 -16 430.97 10.96 9 3 -16 17.88 3 11 3 -16 47.88 3.52 13 3 -16 16.83 3.65 15 3 -16 14.48 2.87 17 3 -16 76.98 9.13 19 3 -16 7.18 3.13 21 3 -16 11.74 3.13 2 4 -16 58.32 6 4 4 -16 139.61 9.52 6 4 -16 152.53 7.31 8 4 -16 19.31 4.7 10 4 -16 21.53 3.13 12 4 -16 6.78 3.92 14 4 -16 19.96 4.05 16 4 -16 29.62 8.87 18 4 -16 69.15 6.39 20 4 -16 4.3 3.65 1 5 -16 6.65 3.92 3 5 -16 90.16 4.96 5 5 -16 204.59 9 7 5 -16 48.54 6.39 9 5 -16 25.18 3.65 11 5 -16 -0.65 3.92 13 5 -16 2.61 6.92 15 5 -16 5.61 7.05 17 5 -16 1.83 5.61 2 6 -16 18.13 4.43 4 6 -16 23.48 4.7 6 6 -16 3.92 3.39 8 6 -16 53.5 8.35 10 6 -16 46.32 6.26 12 6 -16 8.35 6 1 1 -15 307.79 9.4 3 1 -15 2147.13 28.97 5 1 -15 963.57 23.62 7 1 -15 194.67 3.39 9 1 -15 101.12 3.13 11 1 -15 31.05 2.87 13 1 -15 18.4 2.09 15 1 -15 175.36 4.7 17 1 -15 26.36 3 19 1 -15 2.35 2.48 21 1 -15 1.3 3.65 23 1 -15 78.03 5.74 2 2 -15 864.15 13.31 4 2 -15 220.9 7.57 6 2 -15 198.98 7.44 8 2 -15 103.6 2.74 10 2 -15 50.76 3.13 12 2 -15 115.86 4.96 14 2 -15 82.85 5.09 16 2 -15 322.93 59.89 18 2 -15 4.3 5.22 20 2 -15 9.92 3.26 22 2 -15 19.44 4.7 24 2 -15 34.84 5.87 1 3 -15 130.35 5.35 3 3 -15 948.44 16.96 5 3 -15 187.1 5.48 7 3 -15 80.76 4.05 9 3 -15 36.53 4.7 11 3 -15 4.7 2.61 13 3 -15 7.96 3 15 3 -15 40.97 2.48 17 3 -15 5.22 3.92 19 3 -15 14.48 3.65 21 3 -15 32.36 5.74 23 3 -15 27.79 3.65 2 4 -15 125.78 5.48 4 4 -15 26.36 5.61 6 4 -15 106.34 3.39 8 4 -15 256.39 11.35 10 4 -15 7.31 2.61 12 4 -15 4.18 2.48 14 4 -15 5.35 3.39 16 4 -15 13.05 3.92 18 4 -15 27.4 6.39 20 4 -15 5.74 4.3 1 5 -15 8.87 3 3 5 -15 192.85 9.4 5 5 -15 318.23 12.53 7 5 -15 19.7 3.13 9 5 -15 11.61 2.61 11 5 -15 7.96 4.18 13 5 -15 5.61 4.18 15 5 -15 73.72 4.7 17 5 -15 -1.43 4.57 19 5 -15 16.57 16.31 2 6 -15 14.35 4.18 4 6 -15 59.37 8.48 6 6 -15 13.57 2.48 8 6 -15 57.54 6.65 10 6 -15 13.83 3.92 12 6 -15 7.05 4.96 14 6 -15 38.75 5.61 2 0 -14 59.11 2.87 4 0 -14 300.62 6 6 0 -14 1166.85 8.22 8 0 -14 57.54 1.83 10 0 -14 43.45 3.52 12 0 -14 116 4.96 14 0 -14 628.12 7.18 16 0 -14 52.06 4.57 18 0 -14 63.02 6 20 0 -14 39.14 3.52 22 0 -14 85.98 12.4 24 0 -14 11.09 6.52 1 1 -14 2254.12 38.75 3 1 -14 656.3 13.7 5 1 -14 207.07 4.3 7 1 -14 92.38 3 9 1 -14 5.87 2.09 11 1 -14 20.88 2.35 13 1 -14 138.18 5.22 15 1 -14 45.28 4.3 17 1 -14 3.13 2.48 19 1 -14 27.4 6.26 21 1 -14 80.37 5.87 23 1 -14 6.39 3.52 25 1 -14 23.23 4.7 2 2 -14 16.31 2.48 4 2 -14 59.11 2.87 6 2 -14 311.06 7.44 8 2 -14 1.57 2.48 10 2 -14 23.75 3.92 12 2 -14 0.52 1.96 14 2 -14 15.13 2.22 16 2 -14 10.57 3 18 2 -14 0 2.48 20 2 -14 37.58 3.26 22 2 -14 19.31 4.3 24 2 -14 4.83 3.13 1 3 -14 999.45 21.53 3 3 -14 701.18 19.7 5 3 -14 245.82 6 7 3 -14 61.71 2.61 9 3 -14 6.78 1.96 11 3 -14 29.23 3.13 13 3 -14 112.73 9.65 15 3 -14 13.31 2.61 17 3 -14 1.43 3.78 19 3 -14 29.36 4.7 21 3 -14 94.99 4.3 23 3 -14 16.18 2.87 2 4 -14 38.49 4.05 4 4 -14 76.46 3.39 6 4 -14 334.15 10.05 8 4 -14 45.15 3.13 10 4 -14 18.79 2.87 12 4 -14 85.72 6.13 14 4 -14 196.5 9.4 16 4 -14 8.61 4.96 18 4 -14 10.7 2.74 20 4 -14 7.18 4.96 22 4 -14 30.27 4.83 1 5 -14 234.73 9.92 3 5 -14 31.71 9.13 5 5 -14 5.74 2.48 7 5 -14 37.58 5.61 9 5 -14 17.48 4.83 11 5 -14 5.87 3.39 13 5 -14 6.26 3.39 15 5 -14 5.74 4.96 17 5 -14 12.27 4.96 19 5 -14 26.23 5.35 2 6 -14 28.83 3.92 4 6 -14 19.05 3.13 6 6 -14 163.49 6 8 6 -14 6.26 6.39 10 6 -14 7.18 4.05 12 6 -14 8.61 6.92 14 6 -14 4.3 6.52 16 6 -14 4.96 4.18 1 7 -14 38.23 4.96 3 7 -14 79.59 4.7 5 7 -14 21.79 4.18 7 7 -14 6.65 4.43 9 7 -14 1.96 7.96 11 7 -14 3.39 6.13 1 1 -13 511.86 7.83 3 1 -13 361.68 10.31 5 1 -13 89.64 3.65 7 1 -13 42.8 4.57 9 1 -13 112.08 4.3 11 1 -13 61.58 2.74 13 1 -13 27.79 2.74 15 1 -13 20.35 3.13 17 1 -13 120.82 5.48 19 1 -13 82.59 39.67 21 1 -13 34.05 3.13 23 1 -13 55.32 6.65 25 1 -13 24.14 3.92 2 2 -13 97.21 3.92 4 2 -13 2745.36 44.23 6 2 -13 32.88 3 8 2 -13 79.2 1.7 10 2 -13 143.26 5.09 12 2 -13 225.46 7.83 14 2 -13 11.74 2.87 16 2 -13 32.1 3.26 18 2 -13 105.03 3.78 20 2 -13 119.65 5.61 22 2 -13 11.09 3.26 24 2 -13 4.83 3.39 1 3 -13 145.09 7.31 3 3 -13 43.97 3.13 5 3 -13 169.36 5.09 7 3 -13 39.53 3.39 9 3 -13 23.75 2.74 11 3 -13 49.32 2.22 13 3 -13 12.4 6.65 15 3 -13 8.48 2.87 17 3 -13 29.62 2.74 19 3 -13 38.49 4.18 21 3 -13 4.3 4.57 23 3 -13 18.92 3.78 2 4 -13 33.01 3.78 4 4 -13 281.05 7.83 6 4 -13 2.74 2.09 8 4 -13 41.23 2.74 10 4 -13 1.3 1.96 12 4 -13 20.48 2.74 14 4 -13 6.65 2.87 16 4 -13 3.52 2.48 18 4 -13 12.91 4.83 20 4 -13 19.57 4.43 22 4 -13 9.92 4.83 1 5 -13 158.53 7.05 3 5 -13 191.28 7.7 5 5 -13 76.2 5.22 7 5 -13 2.22 2.35 9 5 -13 25.7 6 11 5 -13 32.62 15.27 13 5 -13 10.57 3.65 15 5 -13 18.26 4.7 17 5 -13 11.87 3.92 19 5 -13 10.57 5.22 21 5 -13 8.74 4.18 2 6 -13 19.05 5.09 4 6 -13 69.68 4.57 6 6 -13 21.14 6.26 8 6 -13 9.4 2.61 10 6 -13 65.89 5.61 12 6 -13 52.71 5.09 14 6 -13 31.18 3.92 16 6 -13 5.48 3.65 18 6 -13 4.43 5.22 1 7 -13 21.92 4.43 3 7 -13 3.26 3.92 5 7 -13 13.57 4.57 7 7 -13 24.92 4.05 9 7 -13 -2.48 6.52 11 7 -13 -0.91 4.05 13 7 -13 6.26 8.61 2 0 -12 6392.19 38.23 4 0 -12 36.01 1.96 6 0 -12 841.84 9.65 8 0 -12 395.61 2.87 10 0 -12 1.17 1.43 12 0 -12 9.52 2.22 14 0 -12 18.13 3.78 16 0 -12 286.01 9.13 18 0 -12 487.07 13.05 20 0 -12 59.24 3.26 22 0 -12 70.85 8.35 24 0 -12 54.41 12.66 26 0 -12 8.35 6.78 1 1 -12 56.5 1.96 3 1 -12 210.33 4.96 5 1 -12 139.74 5.09 7 1 -12 284.7 6.78 9 1 -12 22.97 1.17 11 1 -12 32.75 1.83 13 1 -12 2.74 1.96 15 1 -12 71.63 4.96 17 1 -12 116.51 6.52 19 1 -12 131.78 4.7 21 1 -12 9.65 3.26 23 1 -12 15.66 2.87 25 1 -12 4.3 3.78 2 2 -12 118.73 4.96 4 2 -12 10.7 2.61 6 2 -12 10.7 2.87 8 2 -12 13.83 1.17 10 2 -12 6 2.22 12 2 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3.13 2 0 -6 1559.07 18.66 4 0 -6 948.44 5.09 6 0 -6 993.97 14.87 8 0 -6 458.89 5.61 10 0 -6 102.68 1.04 12 0 -6 52.58 1.96 14 0 -6 196.37 4.3 16 0 -6 1294.72 15.13 18 0 -6 11.48 2.22 20 0 -6 369.77 7.05 22 0 -6 227.16 3.92 24 0 -6 17.75 6.26 28 0 -6 -1.96 7.31 1 1 -6 284.31 5.74 3 1 -6 701.05 6.92 5 1 -6 6262.63 72.02 7 1 -6 1130.97 12.27 9 1 -6 910.08 14.87 11 1 -6 43.58 1.17 13 1 -6 73.98 2.35 15 1 -6 281.83 8.48 17 1 -6 105.95 4.43 19 1 -6 39.8 2.35 21 1 -6 101.9 5.61 23 1 -6 7.83 1.7 25 1 -6 13.83 4.05 2 2 -6 629.03 9.4 4 2 -6 215.81 1.57 6 2 -6 29.1 1.96 8 2 -6 76.98 1.57 10 2 -6 44.36 1.7 12 2 -6 108.69 1.96 14 2 -6 23.62 2.35 16 2 -6 280.53 10.7 18 2 -6 46.84 4.96 20 2 -6 2.61 2.74 22 2 -6 4.83 2.74 24 2 -6 2.35 3 26 2 -6 21.92 3 1 3 -6 544.22 6.26 3 3 -6 394.95 6.52 5 3 -6 2734.01 34.71 7 3 -6 294.49 8.35 9 3 -6 480.81 11.74 11 3 -6 123.95 4.18 13 3 -6 61.07 3.65 15 3 -6 369.51 9.92 17 3 -6 201.59 8.48 19 3 -6 6.78 3.39 21 3 -6 89.51 10.44 23 3 -6 17.09 5.35 25 3 -6 52.45 6.13 2 4 -6 94.2 3.52 4 4 -6 175.49 8.09 6 4 -6 629.68 14.74 8 4 -6 62.37 4.18 10 4 -6 134.39 5.22 12 4 -6 24.92 2.22 14 4 -6 118.6 4.7 16 4 -6 212.94 8.22 18 4 -6 5.09 3.92 20 4 -6 17.09 3.92 22 4 -6 68.11 6.26 24 4 -6 -0.91 3.52 1 5 -6 117.3 4.57 3 5 -6 312.1 7.7 5 5 -6 85.33 3.52 7 5 -6 1.43 1.3 9 5 -6 33.53 2.61 11 5 -6 326.19 11.48 13 5 -6 27.4 3 15 5 -6 6.26 5.22 17 5 -6 34.45 5.61 19 5 -6 25.57 4.57 21 5 -6 5.74 4.57 23 5 -6 2.74 3.52 2 6 -6 52.19 4.43 4 6 -6 28.83 4.05 6 6 -6 33.01 2.35 8 6 -6 315.23 14.35 10 6 -6 137.26 7.96 12 6 -6 8.48 2.87 14 6 -6 12.66 3.39 16 6 -6 121.86 7.31 18 6 -6 8.74 3.78 20 6 -6 4.05 3.78 22 6 -6 -0.13 4.43 1 7 -6 32.88 3 3 7 -6 9.78 2.61 5 7 -6 22.97 3.39 7 7 -6 144.96 8.48 9 7 -6 21.01 5.35 11 7 -6 92.38 7.96 13 7 -6 27.92 4.96 15 7 -6 31.58 6.39 17 7 -6 26.62 6.26 19 7 -6 3.13 6.78 2 8 -6 1.7 3.52 4 8 -6 6.39 4.05 6 8 -6 68.37 8.09 8 8 -6 18.92 4.05 10 8 -6 30.53 5.48 12 8 -6 17.09 3.65 14 8 -6 12.4 3.92 1 9 -6 -0.52 3.52 3 9 -6 3.92 3 5 9 -6 2.22 3 7 9 -6 13.05 6 1 1 -5 370.69 4.05 3 1 -5 4778.32 42.15 5 1 -5 741.76 9 7 1 -5 1055.69 10.31 9 1 -5 48.54 4.43 11 1 -5 37.58 1.57 13 1 -5 245.56 6.65 15 1 -5 484.72 14.62 17 1 -5 1.83 2.22 19 1 -5 172.88 4.43 21 1 -5 21.4 2.09 23 1 -5 110.65 3.52 25 1 -5 1.04 3 27 1 -5 -0.26 2.87 2 2 -5 294.49 2.87 4 2 -5 442.32 9.65 6 2 -5 84.68 2.48 8 2 -5 247.78 4.43 10 2 -5 62.5 2.61 12 2 -5 135.17 6.65 14 2 -5 27.53 2.74 16 2 -5 99.03 4.05 18 2 -5 110.91 7.57 20 2 -5 261.34 5.87 22 2 -5 33.79 3 24 2 -5 190.89 5.61 26 2 -5 10.83 2.87 1 3 -5 872.24 3.78 3 3 -5 1151.98 19.05 5 3 -5 621.85 15.27 7 3 -5 120.69 3.26 9 3 -5 216.72 10.05 11 3 -5 0 1.43 13 3 -5 113.65 4.05 15 3 -5 64.07 3.13 17 3 -5 53.76 3.13 19 3 -5 84.94 5.09 21 3 -5 17.48 3.39 23 3 -5 8.87 4.3 25 3 -5 8.48 3.39 27 3 -5 3.92 4.05 2 4 -5 175.23 6.39 4 4 -5 90.94 3.78 6 4 -5 211.76 4.83 8 4 -5 162.18 5.48 10 4 -5 22.31 1.7 12 4 -5 28.83 2.48 14 4 -5 822.79 37.58 16 4 -5 58.32 7.96 18 4 -5 69.02 7.18 20 4 -5 13.31 4.18 22 4 -5 15.4 3.65 24 4 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3 3 1 497.64 4.57 5 3 1 278.17 6 7 3 1 316.8 7.57 9 3 1 802.7 16.7 11 3 1 206.28 6.26 13 3 1 87.55 2.35 15 3 1 46.45 2.74 17 3 1 116.25 5.61 19 3 1 169.23 8.22 21 3 1 27.66 3.26 23 3 1 52.58 5.22 25 3 1 26.1 4.18 0 4 1 649.64 9.78 2 4 1 40.97 2.48 4 4 1 473.89 4.96 6 4 1 10.44 1.7 8 4 1 41.23 2.35 10 4 1 64.71 3.78 12 4 1 27.01 2.61 14 4 1 16.05 2.74 16 4 1 26.49 2.09 18 4 1 8.74 3 20 4 1 9.65 3.78 22 4 1 31.83 5.22 24 4 1 41.23 7.05 1 5 1 141.18 7.44 3 5 1 340.28 11.35 5 5 1 79.72 3.26 7 5 1 29.75 1.96 9 5 1 369.51 14.74 11 5 1 78.03 4.3 13 5 1 129.56 4.96 15 5 1 4.3 3 17 5 1 31.32 2.87 19 5 1 94.07 7.44 21 5 1 12.27 8.35 23 5 1 14.09 5.22 0 6 1 15.13 2.61 2 6 1 36.27 4.43 4 6 1 322.8 10.57 6 6 1 42.66 2.09 8 6 1 9.4 2.74 10 6 1 81.55 2.35 12 6 1 15.13 2.74 14 6 1 35.49 4.57 16 6 1 23.62 4.05 18 6 1 11.61 3.92 20 6 1 7.96 5.09 1 7 1 54.67 5.22 3 7 1 16.44 3.92 5 7 1 30.53 4.18 7 7 1 16.31 4.3 9 7 1 23.88 4.3 11 7 1 7.18 2.48 13 7 1 19.31 5.48 15 7 1 12.13 3.92 17 7 1 29.88 4.7 0 8 1 2.09 3.92 2 8 1 9.92 3.78 4 8 1 27.14 6.26 6 8 1 1.7 4.96 8 8 1 6 4.3 10 8 1 12.13 3.52 12 8 1 1.3 3.39 14 8 1 2.48 6.65 1 9 1 9 3.92 3 9 1 1.3 4.05 5 9 1 0.13 3.78 7 9 1 10.96 3.39 0 0 2 2882.1 60.93 2 0 2 143.13 1.17 4 0 2 2045.22 8.22 6 0 2 838.05 12.91 8 0 2 1132.41 6.78 10 0 2 494.77 6.52 12 0 2 260.69 6.92 14 0 2 737.07 9.13 16 0 2 1118.71 5.09 18 0 2 250.26 9 20 0 2 17.88 3.52 22 0 2 10.96 4.3 24 0 2 12.4 4.18 26 0 2 44.49 4.43 1 1 2 3072.73 38.23 3 1 2 523.34 3.92 5 1 2 333.63 4.18 7 1 2 291.23 6 9 1 2 210.59 4.43 11 1 2 113.12 2.09 13 1 2 396.78 10.44 15 1 2 186.19 7.31 17 1 2 1016.03 24.92 19 1 2 68.11 4.96 21 1 2 28.18 3.39 23 1 2 17.35 3 25 1 2 6.65 4.43 0 2 2 515.64 6.92 2 2 2 140.26 2.48 4 2 2 17.09 1.3 6 2 2 52.58 2.61 8 2 2 98.25 1.83 10 2 2 31.32 1.83 12 2 2 140.26 3.13 14 2 2 28.83 3.78 16 2 2 19.96 2.87 18 2 2 10.31 3.52 20 2 2 39.8 4.05 22 2 2 112.21 7.44 24 2 2 11.48 3.65 26 2 2 7.57 4.3 1 3 2 1019.16 14.48 3 3 2 254.82 3.13 5 3 2 39.8 1.7 7 3 2 550.35 10.05 9 3 2 155.14 2.48 11 3 2 234.99 5.09 13 3 2 217.76 2.48 15 3 2 73.2 3.26 17 3 2 624.72 17.62 19 3 2 25.31 5.61 21 3 2 55.32 3.78 23 3 2 24.92 4.18 25 3 2 3.13 4.83 0 4 2 17.35 2.22 2 4 2 466.45 7.44 4 4 2 215.55 3.78 6 4 2 46.84 2.48 8 4 2 232.38 6.65 10 4 2 50.37 2.61 12 4 2 166.62 5.09 14 4 2 91.99 5.74 16 4 2 95.12 3.52 18 4 2 7.96 4.83 20 4 2 30.01 3.92 22 4 2 9.65 3.39 24 4 2 23.1 4.7 1 5 2 9.27 1.7 3 5 2 63.15 2.87 5 5 2 93.03 3.52 7 5 2 183.45 4.57 9 5 2 16.83 3.65 11 5 2 125.13 3.52 13 5 2 12.27 3 15 5 2 66.8 3.78 17 5 2 11.74 3 19 5 2 40.06 3.65 21 5 2 10.96 2.74 0 6 2 123.56 8.48 2 6 2 81.29 4.7 4 6 2 26.49 3.65 6 6 2 30.66 3.26 8 6 2 16.05 2.48 10 6 2 10.44 2.09 12 6 2 8.35 2.61 14 6 2 12.53 2.35 16 6 2 36.01 4.05 18 6 2 7.05 3.78 20 6 2 19.7 6.26 1 7 2 36.14 3.78 3 7 2 27.92 4.96 5 7 2 26.49 3.78 7 7 2 114.3 3.92 9 7 2 1.17 6.39 11 7 2 88.72 3.26 13 7 2 1.43 4.05 15 7 2 25.05 4.18 17 7 2 3 4.7 0 8 2 4.3 2.87 2 8 2 52.32 7.44 4 8 2 24.66 6.26 6 8 2 8.22 3.78 8 8 2 21.66 4.96 10 8 2 3.13 3.78 12 8 2 1.7 3.39 14 8 2 4.18 4.96 1 9 2 3.78 5.87 3 9 2 6.65 3.92 5 9 2 12.13 4.96 7 9 2 5.22 4.18 1 1 3 1085.7 8.87 3 1 3 1606.17 7.7 5 1 3 32.88 1.3 7 1 3 159.05 3.13 9 1 3 671.83 10.18 11 1 3 247.64 5.61 13 1 3 485.9 12.27 15 1 3 1416.06 33.01 17 1 3 211.5 7.96 19 1 3 41.1 4.05 21 1 3 7.83 2.74 23 1 3 20.88 5.35 25 1 3 7.83 4.43 0 2 3 133.48 3.13 2 2 3 2583.18 26.1 4 2 3 1008.59 10.18 6 2 3 6.78 2.09 8 2 3 233.55 3.78 10 2 3 287.31 3.92 12 2 3 488.24 4.7 14 2 3 225.99 5.09 16 2 3 143 6.78 18 2 3 23.23 3.26 20 2 3 212.16 10.7 22 2 3 9.13 3.92 24 2 3 55.72 4.57 1 3 3 232.51 3.26 3 3 3 371.21 5.09 5 3 3 80.37 1.83 7 3 3 13.83 1.96 9 3 3 713.97 16.96 11 3 3 143.26 3 13 3 3 13.96 2.48 15 3 3 289.53 6.39 17 3 3 167.66 8.48 19 3 3 -0.91 3 21 3 3 53.37 3.52 23 3 3 16.18 2.74 0 4 3 13.44 1.7 2 4 3 13.05 2.09 4 4 3 82.85 4.05 6 4 3 22.83 2.35 8 4 3 89.9 3.52 10 4 3 111.43 3.52 12 4 3 5.74 2.22 14 4 3 195.84 9.78 16 4 3 67.06 4.57 18 4 3 85.33 5.61 20 4 3 347.85 14.62 22 4 3 2.35 3.52 1 5 3 12 2.22 3 5 3 1.3 2.09 5 5 3 199.76 8.61 7 5 3 9.4 3.13 9 5 3 324.76 7.57 11 5 3 52.45 3.52 13 5 3 16.83 2.87 15 5 3 149.66 6.52 17 5 3 67.46 5.22 19 5 3 17.35 3.39 21 5 3 13.31 3.13 0 6 3 81.29 6.92 2 6 3 94.6 4.96 4 6 3 47.75 4.18 6 6 3 38.49 2.48 8 6 3 42.27 3.78 10 6 3 19.18 3.26 12 6 3 16.96 3.78 14 6 3 7.7 3 16 6 3 5.09 2.48 18 6 3 8.74 4.83 20 6 3 27.92 5.35 1 7 3 38.49 4.05 3 7 3 27.01 2.09 5 7 3 19.18 4.05 7 7 3 0.78 4.18 9 7 3 48.67 4.3 11 7 3 3.39 3.78 13 7 3 11.09 3.52 15 7 3 3 4.18 17 7 3 5.74 6.26 0 8 3 66.8 4.83 2 8 3 27.92 4.18 4 8 3 16.18 3.92 6 8 3 2.61 2.61 8 8 3 8.22 3.78 10 8 3 3.78 4.7 12 8 3 6.92 5.35 1 9 3 18.13 5.22 3 9 3 21.4 3.26 5 9 3 46.97 6.65 7 9 3 2.74 4.43 0 0 4 3970.41 61.32 2 0 4 5259 9 4 0 4 171.58 3.26 6 0 4 2781.25 7.18 8 0 4 845.62 12.4 10 0 4 451.58 7.18 12 0 4 37.31 2.61 14 0 4 469.85 9.78 16 0 4 112.21 4.3 18 0 4 2713.53 49.19 20 0 4 5.48 3.26 22 0 4 25.31 4.7 24 0 4 3.65 4.57 1 1 4 1948.41 7.7 3 1 4 25.97 1.7 5 1 4 1169.72 13.57 7 1 4 3923.31 45.93 9 1 4 71.63 2.61 11 1 4 109.08 2.74 13 1 4 501.16 8.61 15 1 4 395.21 10.31 17 1 4 63.93 4.18 19 1 4 45.8 3.52 21 1 4 25.83 3.65 23 1 4 15.66 5.22 25 1 4 24.79 4.43 0 2 4 109.86 2.35 2 2 4 144.83 3.13 4 2 4 33.27 2.22 6 2 4 168.45 2.61 8 2 4 78.16 2.22 10 2 4 10.18 1.96 12 2 4 252.34 4.7 14 2 4 98.12 6.39 16 2 4 73.72 3.39 18 2 4 220.64 11.48 20 2 4 0.78 3.78 22 2 4 35.75 4.43 24 2 4 1.17 4.05 1 3 4 425.09 5.74 3 3 4 111.3 2.35 5 3 4 421.57 8.22 7 3 4 1967.85 38.23 9 3 4 150.57 2.87 11 3 4 117.04 3.39 13 3 4 763.42 15.79 15 3 4 175.62 7.05 17 3 4 79.59 4.05 19 3 4 12.91 2.87 21 3 4 5.48 3.39 23 3 4 13.83 4.83 0 4 4 529.21 10.57 2 4 4 359.46 6.78 4 4 4 8.09 1.3 6 4 4 554.66 9.4 8 4 4 38.1 2.09 10 4 4 77.5 3.26 12 4 4 6.26 1.96 14 4 4 73.33 3.52 16 4 4 12 3.13 18 4 4 484.07 16.31 20 4 4 40.84 4.96 22 4 4 10.83 4.18 1 5 4 191.54 2.74 3 5 4 111.43 4.05 5 5 4 22.83 3.13 7 5 4 335.98 7.44 9 5 4 63.15 5.35 11 5 4 35.23 3 13 5 4 157.36 4.18 15 5 4 55.72 4.57 17 5 4 73.07 4.43 19 5 4 36.53 4.96 21 5 4 21.14 3.39 0 6 4 47.23 2.48 2 6 4 61.85 5.61 4 6 4 3.78 2.61 6 6 4 35.1 3.13 8 6 4 14.35 4.05 10 6 4 7.44 3.13 12 6 4 135.83 3.52 14 6 4 46.06 5.09 16 6 4 33.14 3.92 18 6 4 199.11 8.87 1 7 4 39.01 2.74 3 7 4 122.26 6.92 5 7 4 4.57 3.52 7 7 4 126.82 6.92 9 7 4 7.83 3 11 7 4 13.83 3.78 13 7 4 27.79 3.52 15 7 4 24.27 2.74 0 8 4 20.75 3.26 2 8 4 12.91 4.43 4 8 4 4.05 3.78 6 8 4 16.05 2.48 8 8 4 3.26 5.22 10 8 4 4.96 8.87 12 8 4 3.52 3.92 1 9 4 19.83 5.22 3 9 4 4.3 3.26 5 9 4 2.61 4.05 1 1 5 148.48 1.57 3 1 5 2252.68 32.49 5 1 5 12390.08 81.29 7 1 5 921.95 11.74 9 1 5 57.54 2.09 11 1 5 423.79 5.48 13 1 5 188.93 8.48 15 1 5 328.8 7.44 17 1 5 237.6 7.05 19 1 5 18.01 3.92 21 1 5 54.15 3.26 23 1 5 10.57 3.52 25 1 5 49.19 4.3 0 2 5 1847.68 28.83 2 2 5 57.67 2.35 4 2 5 4185.31 42.4 6 2 5 73.85 2.22 8 2 5 208.76 4.05 10 2 5 52.19 2.48 12 2 5 516.17 10.57 14 2 5 75.41 3.26 16 2 5 4761.1 116.78 18 2 5 25.05 4.83 20 2 5 39.14 4.18 22 2 5 2.22 3.26 24 2 5 48.54 4.7 1 3 5 353.59 6.78 3 3 5 562.22 7.7 5 3 5 1807.62 19.57 7 3 5 21.27 2.48 9 3 5 145.22 3.52 11 3 5 285.74 6.13 13 3 5 253.13 6.78 15 3 5 273.35 11.35 17 3 5 15 3.39 19 3 5 57.28 3.39 21 3 5 6.13 5.22 23 3 5 3 3.78 0 4 5 304.27 8.09 2 4 5 99.95 2.35 4 4 5 48.02 2.35 6 4 5 39.8 2.74 8 4 5 22.57 2.22 10 4 5 369.9 10.96 12 4 5 289.27 7.7 14 4 5 84.94 5.87 16 4 5 159.96 7.44 18 4 5 11.87 3.65 20 4 5 31.96 4.57 22 4 5 2.09 5.48 1 5 5 228.73 11.22 3 5 5 117.56 3.78 5 5 5 736.54 20.48 7 5 5 0 3.39 9 5 5 22.57 3.78 11 5 5 282.48 12.79 13 5 5 72.02 3.52 15 5 5 224.03 10.44 17 5 5 69.55 5.09 19 5 5 5.87 4.96 0 6 5 53.5 2.87 2 6 5 5.87 1.96 4 6 5 142.74 4.83 6 6 5 37.97 2.74 8 6 5 20.62 3.39 10 6 5 8.22 4.18 12 6 5 32.88 4.7 14 6 5 11.09 3.52 16 6 5 180.97 7.96 18 6 5 32.75 6.13 1 7 5 32.75 3.52 3 7 5 13.57 5.48 5 7 5 31.83 4.7 7 7 5 16.7 2.74 9 7 5 2.61 3.39 11 7 5 66.28 5.48 13 7 5 18.4 4.57 15 7 5 12.91 3.13 0 8 5 5.61 3.39 2 8 5 1.3 5.09 4 8 5 6.39 4.96 6 8 5 5.87 4.3 8 8 5 18.26 4.7 10 8 5 22.83 5.35 12 8 5 7.7 4.96 1 9 5 24.66 5.48 3 9 5 5.87 3.65 5 9 5 25.57 4.3 0 0 6 27.92 1.83 2 0 6 5491.77 15.92 4 0 6 60.15 2.22 6 0 6 1534.8 13.05 8 0 6 465.15 7.05 10 0 6 206.15 4.18 12 0 6 90.29 4.83 14 0 6 9163.52 151.48 16 0 6 80.76 3.39 18 0 6 370.82 8.35 20 0 6 25.44 4.3 22 0 6 28.83 5.74 24 0 6 32.23 4.18 1 1 6 1246.58 7.83 3 1 6 9360.8 33.27 5 1 6 675.22 5.61 7 1 6 344.2 6.26 9 1 6 18.66 1.83 11 1 6 154.88 3.78 13 1 6 616.5 11.87 15 1 6 162.7 5.74 17 1 6 74.63 4.57 19 1 6 15.92 4.57 21 1 6 0.78 2.74 23 1 6 48.15 4.18 0 2 6 84.68 2.74 2 2 6 41.36 2.22 4 2 6 239.95 4.05 6 2 6 64.58 2.74 8 2 6 287.57 4.96 10 2 6 450.4 10.31 12 2 6 36.8 3.52 14 2 6 262.91 7.18 16 2 6 46.84 6 18 2 6 8.22 3.65 20 2 6 1.96 2.74 22 2 6 6.26 4.43 1 3 6 517.21 5.61 3 3 6 4611.31 72.42 5 3 6 459.28 6.13 7 3 6 66.54 3 9 3 6 288.09 7.7 11 3 6 43.71 2.48 13 3 6 441.27 9.4 15 3 6 397.69 15.53 17 3 6 11.35 4.3 19 3 6 78.81 4.43 21 3 6 6.39 4.43 23 3 6 51.93 3.92 0 4 6 70.46 2.09 2 4 6 839.62 13.44 4 4 6 86.11 3.52 6 4 6 243.6 6.92 8 4 6 48.28 3.39 10 4 6 143.66 5.74 12 4 6 51.67 5.74 14 4 6 2198.93 55.06 16 4 6 26.75 4.05 18 4 6 19.96 3.39 20 4 6 34.05 4.18 1 5 6 126.17 3.39 3 5 6 182.93 6.78 5 5 6 17.22 2.61 7 5 6 22.05 2.35 9 5 6 254.56 7.18 11 5 6 129.04 4.83 13 5 6 54.28 4.18 15 5 6 8.09 5.61 17 5 6 96.29 5.87 19 5 6 16.18 4.3 0 6 6 11.61 2.74 2 6 6 19.83 2.35 4 6 6 8.74 3.13 6 6 6 57.15 3.52 8 6 6 104.64 5.61 10 6 6 226.9 8.48 12 6 6 58.06 4.43 14 6 6 99.95 3.92 16 6 6 4.3 5.22 18 6 6 5.35 4.83 1 7 6 33.79 3.52 3 7 6 142.61 5.61 5 7 6 15 4.3 7 7 6 4.57 3.39 9 7 6 78.68 5.87 11 7 6 22.31 4.05 13 7 6 58.19 4.83 15 7 6 22.7 3.92 0 8 6 7.57 4.18 2 8 6 15.53 2.74 4 8 6 3.39 4.7 6 8 6 4.05 4.7 8 8 6 -0.26 4.18 10 8 6 17.75 5.35 1 9 6 3.26 3.92 3 9 6 0.65 3.78 1 1 7 5530.91 55.45 3 1 7 1083.87 8.48 5 1 7 100.6 3.65 7 1 7 103.6 3.26 9 1 7 181.23 4.3 11 1 7 472.33 12.13 13 1 7 596.02 16.31 15 1 7 44.23 4.96 17 1 7 53.76 4.96 19 1 7 19.44 3.39 21 1 7 36.27 6.52 23 1 7 88.47 5.22 0 2 7 989.01 7.05 2 2 7 178.36 3.26 4 2 7 2777.2 29.62 6 2 7 585.58 12 8 2 7 214.63 3.92 10 2 7 33.92 3.26 12 2 7 4175.65 74.89 14 2 7 60.93 6 16 2 7 135.05 7.83 18 2 7 36.8 4.7 20 2 7 15.66 4.43 22 2 7 32.62 5.22 1 3 7 1312.73 18.01 3 3 7 171.19 4.05 5 3 7 66.54 3.65 7 3 7 172.62 4.18 9 3 7 120.69 4.43 11 3 7 162.45 5.87 13 3 7 31.18 3.65 15 3 7 113.51 7.05 17 3 7 13.7 3.78 19 3 7 7.96 4.43 21 3 7 23.35 4.57 0 4 7 46.45 2.09 2 4 7 26.75 2.22 4 4 7 27.92 2.74 6 4 7 130.48 3.65 8 4 7 477.67 12.27 10 4 7 48.41 4.43 12 4 7 693.22 18.13 14 4 7 59.11 13.83 16 4 7 79.46 4.05 18 4 7 12 4.43 20 4 7 4.7 3.78 1 5 7 609.2 20.22 3 5 7 186.58 6.13 5 5 7 9.13 4.43 7 5 7 132.7 5.87 9 5 7 35.49 3.13 11 5 7 140.78 5.09 13 5 7 81.81 4.7 15 5 7 11.22 3.92 17 5 7 72.81 5.22 19 5 7 3.65 4.18 0 6 7 61.85 5.22 2 6 7 2.35 2.87 4 6 7 79.59 3.52 6 6 7 1.17 3.65 8 6 7 112.21 6.13 10 6 7 38.36 4.18 12 6 7 641.82 14.74 14 6 7 -0.26 3.13 16 6 7 6.78 4.83 1 7 7 44.75 4.96 3 7 7 4.18 3.78 5 7 7 4.7 2.74 7 7 7 111.95 6.52 9 7 7 50.76 4.43 11 7 7 58.45 4.18 13 7 7 19.57 3.92 0 8 7 4.3 3.65 2 8 7 4.7 2.87 4 8 7 14.62 4.18 6 8 7 8.35 4.83 8 8 7 46.32 6 0 0 8 302.31 3.52 2 0 8 5976.23 20.88 4 0 8 1774.62 15.53 6 0 8 2696.3 39.67 8 0 8 85.46 3.39 10 0 8 964.49 27.53 12 0 8 150.44 6.13 14 0 8 31.58 3.26 16 0 8 35.36 3.65 18 0 8 46.06 3.78 20 0 8 9.65 4.3 22 0 8 17.35 5.48 1 1 8 42.15 2.22 3 1 8 11.22 1.3 5 1 8 148.61 5.09 7 1 8 295.01 3.39 9 1 8 118.47 5.09 11 1 8 290.57 7.05 13 1 8 61.45 3.26 15 1 8 74.63 4.7 17 1 8 51.54 4.57 19 1 8 8.87 3 21 1 8 31.58 6.26 0 2 8 2.35 1.43 2 2 8 142.61 4.05 4 2 8 8.61 3.13 6 2 8 15 2.35 8 2 8 6.39 3.65 10 2 8 416.87 9.13 12 2 8 26.88 4.7 14 2 8 117.95 6.65 16 2 8 41.75 2.87 18 2 8 1.96 3.26 20 2 8 8.35 2.74 22 2 8 3.65 4.05 1 3 8 588.06 12.53 3 3 8 70.72 2.87 5 3 8 55.19 3.78 7 3 8 172.88 3.78 9 3 8 114.3 4.7 11 3 8 186.58 6 13 3 8 57.41 4.3 15 3 8 57.67 7.57 17 3 8 8.35 3.92 19 3 8 6.13 4.96 21 3 8 42.27 5.87 0 4 8 41.75 3.26 2 4 8 848.75 20.09 4 4 8 68.37 3 6 4 8 24.53 2.87 8 4 8 63.54 3.65 10 4 8 1319.12 32.49 12 4 8 11.09 3.13 14 4 8 4.83 3.78 16 4 8 44.75 4.96 18 4 8 17.75 4.43 20 4 8 5.74 6.92 1 5 8 80.37 5.09 3 5 8 13.96 2.87 5 5 8 152.14 8.09 7 5 8 45.8 2.61 9 5 8 74.11 3.78 11 5 8 37.31 3.65 13 5 8 36.93 4.57 15 5 8 16.44 4.96 17 5 8 2.35 4.05 0 6 8 5.22 3.26 2 6 8 39.67 4.57 4 6 8 6.26 2.35 6 6 8 46.06 3.65 8 6 8 119 6.26 10 6 8 203.55 7.31 12 6 8 27.4 6.13 14 6 8 58.06 6.39 16 6 8 5.61 3.13 1 7 8 48.15 6.39 3 7 8 2.09 2.74 5 7 8 39.01 6.13 7 7 8 18.53 3 9 7 8 70.59 6.26 11 7 8 8.35 4.18 13 7 8 3.39 4.18 0 8 8 1.3 4.57 2 8 8 7.83 3.52 4 8 8 -4.18 7.05 6 8 8 94.2 8.09 8 8 8 14.35 8.48 1 1 9 142.09 3.78 3 1 9 15.92 2.22 5 1 9 518.25 11.61 7 1 9 56.76 2.09 9 1 9 231.34 6.13 11 1 9 46.19 2.87 13 1 9 39.14 3.52 15 1 9 11.09 2.74 17 1 9 50.1 5.22 19 1 9 17.75 4.57 21 1 9 45.28 6.26 0 2 9 1287.02 25.83 2 2 9 505.07 8.48 4 2 9 764.46 12.79 6 2 9 112.08 2.61 8 2 9 119.65 6 10 2 9 33.53 3.92 12 2 9 128.78 6.52 14 2 9 66.15 4.96 16 2 9 41.36 4.05 18 2 9 10.44 4.05 20 2 9 19.44 4.43 1 3 9 5.74 3 3 3 9 98.9 3.26 5 3 9 50.88 3.26 7 3 9 79.07 3.39 9 3 9 40.97 3.78 11 3 9 1.57 3.52 13 3 9 130.21 6.65 15 3 9 52.32 3.26 17 3 9 10.7 4.57 19 3 9 17.09 3.92 0 4 9 495.94 12.4 2 4 9 34.32 4.18 4 4 9 310.79 10.57 6 4 9 38.88 2.74 8 4 9 50.88 4.83 10 4 9 14.74 3.92 12 4 9 91.2 5.74 14 4 9 46.97 4.05 16 4 9 4.96 4.05 18 4 9 10.57 3.92 1 5 9 54.67 3.78 3 5 9 2.22 3.13 5 5 9 23.62 3.13 7 5 9 135.96 6.39 9 5 9 113.25 6.78 11 5 9 11.48 4.57 13 5 9 5.61 4.3 15 5 9 6.52 3.26 17 5 9 2.74 3.65 0 6 9 118.47 7.44 2 6 9 2.22 2.09 4 6 9 92.77 6.13 6 6 9 8.22 3.92 8 6 9 647.3 20.35 10 6 9 51.28 4.83 12 6 9 4.3 3.52 14 6 9 3.39 4.57 1 7 9 23.23 4.57 3 7 9 39.4 5.48 5 7 9 41.49 6.26 7 7 9 85.33 6.65 9 7 9 48.8 8.35 11 7 9 0.65 5.35 0 8 9 34.97 6.52 2 8 9 4.05 3.65 4 8 9 21.66 4.43 6 8 9 86.77 4.7 0 0 10 343.41 5.87 2 0 10 122.52 3.26 4 0 10 139.61 4.57 6 0 10 8.87 2.61 8 0 10 14.48 3.52 10 0 10 228.59 5.87 12 0 10 114.17 6 14 0 10 4.43 3.78 16 0 10 77.5 3.52 18 0 10 27.27 3.26 20 0 10 122.91 5.74 1 1 10 4.7 3 3 1 10 58.85 3.26 5 1 10 49.84 3.26 7 1 10 6.78 2.48 9 1 10 29.88 2.09 11 1 10 145.61 5.22 13 1 10 64.46 4.57 15 1 10 47.62 3.39 17 1 10 8.87 3.52 19 1 10 78.41 6.52 21 1 10 187.76 7.44 0 2 10 77.11 3.13 2 2 10 919.6 16.83 4 2 10 7.83 2.09 6 2 10 143.78 4.83 8 2 10 24.4 3.13 10 2 10 7.7 3.26 12 2 10 24.66 5.87 14 2 10 10.83 3.78 16 2 10 3.39 5.09 18 2 10 5.87 3.65 20 2 10 9.13 4.7 1 3 10 82.07 4.05 3 3 10 47.75 3.39 5 3 10 181.23 7.05 7 3 10 363.25 11.35 9 3 10 4.57 2.87 11 3 10 38.36 3 13 3 10 47.49 4.05 15 3 10 18.66 3.78 17 3 10 16.7 5.09 19 3 10 63.67 4.18 0 4 10 36.8 2.87 2 4 10 110.38 5.48 4 4 10 2.35 4.57 6 4 10 388.82 9 8 4 10 52.32 4.05 10 4 10 39.01 4.43 12 4 10 0.26 3.78 14 4 10 13.05 3.78 16 4 10 16.96 5.35 18 4 10 10.31 4.3 1 5 10 15.79 2.74 3 5 10 72.15 4.83 5 5 10 138.44 5.09 7 5 10 93.68 6.39 9 5 10 18.66 3.65 11 5 10 73.98 3.13 13 5 10 58.85 3.92 15 5 10 5.87 4.05 0 6 10 8.48 3.92 2 6 10 226.25 11.48 4 6 10 57.28 5.09 6 6 10 56.76 4.7 8 6 10 -0.26 4.18 10 6 10 30.01 3.26 12 6 10 2.22 2.74 14 6 10 3.26 4.7 1 7 10 24.79 6.92 3 7 10 3.39 3.92 5 7 10 16.57 3.26 7 7 10 78.68 6.39 9 7 10 0.26 3.39 0 8 10 1.57 3.65 2 8 10 54.41 5.87 4 8 10 11.09 14.74 1 1 11 39.27 2.35 3 1 11 193.5 7.57 5 1 11 303.36 5.35 7 1 11 112.86 7.05 9 1 11 372.64 10.83 11 1 11 341.46 14.09 13 1 11 6.13 3.13 15 1 11 10.18 4.57 17 1 11 63.28 5.22 19 1 11 414.52 11.61 0 2 11 2099.11 35.88 2 2 11 2.48 2.61 4 2 11 287.05 6.92 6 2 11 45.02 3 8 2 11 44.62 5.22 10 2 11 37.31 3.52 12 2 11 27.4 4.3 14 2 11 46.84 3.52 16 2 11 9.27 3.92 18 2 11 146.92 7.31 1 3 11 50.37 3.52 3 3 11 137.65 5.09 5 3 11 228.46 4.05 7 3 11 83.12 5.09 9 3 11 153.18 7.05 11 3 11 140.52 6.78 13 3 11 21.4 4.43 15 3 11 13.44 4.96 17 3 11 70.59 6 0 4 11 659.69 13.31 2 4 11 16.05 4.05 4 4 11 410.87 12.79 6 4 11 115.6 4.96 8 4 11 36.8 3.92 10 4 11 24.4 5.61 12 4 11 6.78 4.43 14 4 11 5.61 4.43 16 4 11 21.01 8.48 1 5 11 52.19 3.39 3 5 11 37.05 3.13 5 5 11 283.01 9.92 7 5 11 0.91 2.74 9 5 11 23.1 3.92 11 5 11 58.06 4.05 13 5 11 5.74 4.7 15 5 11 11.48 5.09 0 6 11 101.77 11.48 2 6 11 4.3 2.87 4 6 11 136.35 10.31 6 6 11 33.01 4.18 8 6 11 19.96 4.05 10 6 11 53.5 4.7 12 6 11 4.7 3.39 1 7 11 52.06 4.18 3 7 11 9.78 3.78 5 7 11 35.49 5.61 7 7 11 11.61 4.96 9 7 11 3.92 3.26 0 8 11 27.66 4.3 2 8 11 14.48 4.83 0 0 12 20.09 2.87 2 0 12 836.23 7.7 4 0 12 301.66 4.18 6 0 12 1.83 3.92 8 0 12 114.82 4.43 10 0 12 162.96 3.92 12 0 12 9.27 3.52 14 0 12 7.44 5.35 16 0 12 135.05 7.31 18 0 12 58.98 7.7 1 1 12 168.84 5.48 3 1 12 630.2 7.31 5 1 12 157.61 4.43 7 1 12 438.66 11.48 9 1 12 517.6 11.87 11 1 12 12.4 3.13 13 1 12 10.7 4.57 15 1 12 30.27 4.3 17 1 12 300.88 7.83 19 1 12 4.18 5.87 0 2 12 19.96 2.22 2 2 12 240.6 7.96 4 2 12 194.67 6.52 6 2 12 10.57 2.74 8 2 12 54.41 4.96 10 2 12 15 4.3 12 2 12 6 4.7 14 2 12 2.61 3.78 16 2 12 1.7 4.57 18 2 12 9.27 6.65 1 3 12 120.95 5.87 3 3 12 512.12 17.62 5 3 12 33.4 2.61 7 3 12 116.38 7.05 9 3 12 341.98 11.48 11 3 12 10.05 4.18 13 3 12 6 3.92 15 3 12 35.1 5.48 17 3 12 305.57 12.4 0 4 12 26.62 2.74 2 4 12 157.36 5.74 4 4 12 36.93 4.57 6 4 12 34.84 3.92 8 4 12 50.37 4.96 10 4 12 11.48 3.52 12 4 12 3.13 4.96 14 4 12 9 5.87 16 4 12 48.8 4.57 1 5 12 35.49 3.92 3 5 12 237.08 8.35 5 5 12 14.74 4.05 7 5 12 39.93 4.05 9 5 12 36.53 4.43 11 5 12 6.78 4.57 13 5 12 4.57 4.3 0 6 12 3.52 3.78 2 6 12 23.88 5.35 4 6 12 40.84 3.65 6 6 12 44.1 5.61 8 6 12 39.27 3.92 10 6 12 0.52 4.7 1 7 12 19.18 4.3 3 7 12 87.68 4.96 5 7 12 2.22 3.52 7 7 12 7.18 3.65 1 1 13 1334 27.14 3 1 13 7.57 3.26 5 1 13 162.96 4.96 7 1 13 475.98 10.18 9 1 13 27.53 4.3 11 1 13 1.57 3.39 13 1 13 15.53 3.92 15 1 13 239.03 9.78 17 1 13 19.96 5.87 0 2 13 256.13 7.31 2 2 13 428.09 11.74 4 2 13 11.09 3.26 6 2 13 97.6 6.13 8 2 13 61.32 3.52 10 2 13 8.48 2.61 12 2 13 3.78 3.26 14 2 13 35.23 3.13 16 2 13 37.71 5.74 1 3 13 826.96 24.66 3 3 13 54.67 3.39 5 3 13 206.15 7.96 7 3 13 279.22 7.31 9 3 13 -0.91 8.22 11 3 13 3.26 4.18 13 3 13 22.18 2.74 15 3 13 111.3 8.35 0 4 13 10.57 3 2 4 13 181.1 8.87 4 4 13 36.8 3.39 6 4 13 156.96 4.3 8 4 13 42.93 3.52 10 4 13 9.4 3.39 12 4 13 1.43 3.78 14 4 13 8.22 5.87 1 5 13 278.96 11.87 3 5 13 18.53 4.83 5 5 13 4.57 3.39 7 5 13 120.17 6 9 5 13 2.22 4.18 11 5 13 0.52 5.35 0 6 13 15.4 5.61 2 6 13 26.23 3.13 4 6 13 10.44 3.26 6 6 13 19.31 5.09 8 6 13 -0.91 3.92 1 7 13 66.8 5.87 3 7 13 6.13 5.22 5 7 13 12.66 5.87 0 0 14 1462.78 15.92 2 0 14 166.23 6.26 4 0 14 145.35 6.65 6 0 14 22.57 4.3 8 0 14 38.75 3.13 10 0 14 38.75 6.65 12 0 14 6.13 4.18 14 0 14 57.15 4.96 16 0 14 132.17 8.87 1 1 14 154.75 6 3 1 14 62.76 3.52 5 1 14 217.38 9.65 7 1 14 1.57 3.78 9 1 14 9.78 3 11 1 14 22.44 3.65 13 1 14 76.07 6.13 15 1 14 11.74 6.92 0 2 14 82.59 4.3 2 2 14 56.23 4.57 4 2 14 115.21 5.09 6 2 14 28.05 3 8 2 14 5.74 3.78 10 2 14 2.48 4.18 12 2 14 1.3 5.35 14 2 14 15.27 4.43 1 3 14 38.23 5.22 3 3 14 64.33 4.3 5 3 14 231.46 9.27 7 3 14 -0.91 3.52 9 3 14 7.83 3.92 11 3 14 24.92 6.65 13 3 14 89.51 6.13 0 4 14 115.6 4.18 2 4 14 14.48 4.83 4 4 14 22.18 4.96 6 4 14 4.7 3.39 8 4 14 4.18 5.35 10 4 14 15.53 4.05 12 4 14 6.52 3.92 1 5 14 11.22 3.78 3 5 14 81.03 5.61 5 5 14 137.13 7.05 7 5 14 -0.52 5.74 9 5 14 1.83 3.65 11 5 14 9.27 4.3 0 6 14 33.14 2.87 2 6 14 5.35 3.39 4 6 14 20.75 3.13 6 6 14 14.22 4.3 1 7 14 2.74 3.65 1 1 15 255.34 6.65 3 1 15 27.53 3.65 5 1 15 10.83 3 7 1 15 19.05 4.57 9 1 15 60.15 5.35 11 1 15 29.49 3.65 13 1 15 2.09 6.65 15 1 15 7.7 3.78 0 2 15 185.14 6.65 2 2 15 127.08 5.35 4 2 15 14.09 3.13 6 2 15 9.78 3.39 8 2 15 57.54 3.65 10 2 15 2.87 5.61 12 2 15 55.72 5.48 14 2 15 54.02 5.48 1 3 15 96.03 6.52 3 3 15 135.7 5.22 5 3 15 1.96 5.61 7 3 15 7.31 4.7 9 3 15 21.53 5.87 11 3 15 30.01 5.87 13 3 15 16.57 3.78 0 4 15 53.76 4.18 2 4 15 27.4 4.96 4 4 15 9.13 3.13 6 4 15 6.26 4.18 8 4 15 0.26 3 10 4 15 2.87 4.83 1 5 15 10.18 5.48 3 5 15 126.56 6.65 5 5 15 7.18 3 7 5 15 1.96 3.78 9 5 15 22.31 4.43 0 6 15 8.61 4.05 2 6 15 12.91 3.78 4 6 15 7.57 4.18 0 0 16 269.04 4.83 2 0 16 14.09 4.96 4 0 16 12.79 3.78 6 0 16 40.71 6.65 8 0 16 10.31 3.65 10 0 16 138.83 6 12 0 16 3.26 6.26 1 1 16 6.52 4.05 3 1 16 6.52 3.52 5 1 16 7.83 3.13 7 1 16 42.15 3.65 9 1 16 13.7 3.65 11 1 16 33.79 5.35 13 1 16 0.78 4.96 0 2 16 8.87 3.65 2 2 16 1.83 4.05 4 2 16 -1.7 4.7 6 2 16 4.83 3.65 8 2 16 -0.52 5.35 10 2 16 22.31 4.18 12 2 16 13.7 8.22 1 3 16 32.62 3.65 3 3 16 11.74 3.65 5 3 16 4.57 3 7 3 16 42.27 5.22 9 3 16 12.13 3.92 11 3 16 9.13 4.96 0 4 16 16.44 4.05 2 4 16 2.35 3 4 4 16 2.61 4.96 6 4 16 23.23 6.78 8 4 16 2.74 4.7 1 5 16 44.62 5.22 3 5 16 20.48 4.83 5 5 16 0.78 5.48 7 5 16 10.18 3.65 0 6 16 5.09 4.83 2 6 16 2.48 3.78 1 1 17 -0.39 3.78 3 1 17 0.52 3.26 5 1 17 21.53 5.09 7 1 17 7.44 4.43 9 1 17 50.76 6.39 11 1 17 1.96 5.09 0 2 17 17.48 4.7 2 2 17 4.57 3.13 4 2 17 10.57 3.39 6 2 17 2.48 6 8 2 17 145.61 7.96 10 2 17 7.96 4.05 1 3 17 15.66 3.78 3 3 17 2.22 4.57 5 3 17 12.53 3.52 7 3 17 2.09 5.09 9 3 17 54.54 4.83 0 4 17 8.09 4.83 2 4 17 7.57 4.7 4 4 17 2.09 4.96 6 4 17 1.3 5.35 1 5 17 6.78 6.26 3 5 17 13.44 5.22 0 0 18 4.18 4.96 2 0 18 43.58 3.78 4 0 18 61.85 9.27 6 0 18 234.73 9.4 8 0 18 21.14 4.18 10 0 18 12.53 4.7 1 1 18 4.43 4.05 3 1 18 5.22 4.3 5 1 18 1.57 6.39 7 1 18 63.54 5.74 9 1 18 10.7 4.7 0 2 18 4.83 3.39 2 2 18 1.3 4.96 4 2 18 10.7 3.13 6 2 18 3.13 5.61 8 2 18 8.74 4.05 1 3 18 15.53 4.3 3 3 18 3.65 4.57 5 3 18 3.26 4.83 7 3 18 27.66 4.7 0 4 18 9.65 3.26 2 4 18 1.3 4.83 4 4 18 37.97 4.57 1 1 19 16.31 3.92 3 1 19 29.36 5.35 5 1 19 49.45 6.78 7 1 19 16.31 6 0 2 19 5.87 4.57 2 2 19 225.59 12.79 4 2 19 223.24 10.18 6 2 19 52.45 4.43 1 3 19 1.7 4.83 3 3 19 17.35 5.09 0 4 19 32.1 5.61 0 0 20 524.78 12.66 2 0 20 288.23 14.09 4 0 20 195.45 6.13 1 1 20 69.28 4.05 3 1 20 15.53 3.78 0 2 20 18.13 3.92 2 2 20 -0.91 5.48 1 3 20 65.89 6 1 1 21 30.01 4.18 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 C16 C15 H15 120(2) . . ? N2 C15 H15 117(2) . . ? N2 C15 C16 122.5(3) . . ? H16 C16 C15 112(2) . . ? C17 C16 C15 119.5(3) . . ? C17 C16 H16 128(2) . . ? C18 C17 C16 117.1(2) . . ? C20 C17 C16 125.0(3) . . ? C20 C17 C18 117.9(2) . . ? H18 C18 C17 122.2(17) . . ? C19 C18 C17 120.0(3) . . ? C19 C18 H18 117.7(17) . . ? H19 C19 C18 118.3(17) . . ? N2 C19 C18 123.0(3) . . ? N2 C19 H19 118.8(17) . . ? H20 C20 C17 132(3) . . ? C21 C20 C17 126.2(3) . . ? C21 C20 H20 102(3) . . ? H21 C21 C20 116(2) . . ? C22 C21 C20 125.2(3) . . ? C22 C21 H21 119(2) . . ? C23 C22 C21 119.2(3) . . ? C28 C22 C21 123.3(3) . . ? C28 C22 C23 117.5(3) . . ? H23 C23 C22 119(2) . . ? C24 C23 C22 121.5(3) . . ? C24 C23 H23 119(2) . . ? H24 C24 C23 117(2) . . ? C25 C24 C23 121.0(3) . . ? C25 C24 H24 122.4(19) . . ? C26 C25 C24 120.3(3) . . ? C27 C25 C24 117.4(3) . . ? C27 C25 C26 122.3(3) . . ? H26A C26 C25 112(2) . . ? H26B C26 C25 112(3) . . ? H26B C26 H26A 69(3) . . ? H26C C26 C25 107(2) . . ? H26C C26 H26A 115(3) . . ? H26C C26 H26B 136(4) . . ? H27 C27 C25 118(2) . . ? C28 C27 C25 122.0(3) . . ? C28 C27 H27 120(2) . . ? C27 C28 C22 120.6(3) . . ? H28 C28 C22 122.1(19) . . ? H28 C28 C27 117.1(19) . . ? C19 N2 C15 117.9(2) . . ? C2 C1 H1 118.2(16) . . ? N1 C1 H1 120.7(16) . . ? N1 C1 C2 121.0(2) . . ? H2 C2 C1 112.8(19) . . ? C3 C2 C1 120.5(2) . . ? C3 C2 H2 126.0(19) . . ? C4 C3 C2 116.7(2) . . ? C6 C3 C2 126.8(2) . . ? C6 C3 C4 116.5(2) . . ? H4 C4 C3 121(2) . . ? C5 C4 C3 119.6(2) . . ? C5 C4 H4 119(2) . . ? H5 C5 C4 120.9(16) . . ? N1 C5 C4 122.5(2) . . ? N1 C5 H5 116.6(17) . . ? H6 C6 C3 124.6(16) . . ? C7 C6 C3 124.4(3) . . ? C7 C6 H6 110.8(15) . . ? H7 C7 C6 116(2) . . ? C8 C7 C6 125.5(3) . . ? C8 C7 H7 118(2) . . ? C9 C8 C7 117.6(2) . . ? C14 C8 C7 125.7(2) . . ? C14 C8 C9 116.7(2) . . ? H9 C9 C8 120.1(16) . . ? C10 C9 C8 121.5(3) . . ? C10 C9 H9 118.4(16) . . ? H10 C10 C9 114(2) . . ? C11 C10 C9 122.8(3) . . ? C11 C10 H10 123(2) . . ? C12 C11 C10 121.0(3) . . ? C13 C11 C10 115.7(2) . . ? C13 C11 C12 123.2(3) . . ? H12A C12 C11 99(3) . . ? H12B C12 C11 110(3) . . ? H12B C12 H12A 149(4) . . ? H12C C12 C11 111(3) . . ? H12C C12 H12A 91(4) . . ? H12C C12 H12B 88(4) . . ? H13 C13 C11 114.8(18) . . ? C14 C13 C11 122.1(3) . . ? C14 C13 H13 123.0(18) . . ? C13 C14 C8 121.2(3) . . ? H14 C14 C8 116(2) . . ? H14 C14 C13 123(2) . . ? O1 C29 C30 115.6(2) . . ? O2 C29 C30 118.6(2) . . ? O2 C29 O1 125.8(2) . . ? H30 C30 C29 117(3) . . ? C31 C30 C29 124.0(2) . . ? C31 C30 H30 118(3) . . ? H31 C31 C30 120(2) . . ? C32 C31 C30 124.0(2) . . ? C32 C31 H31 116(2) . . ? O3 C32 C31 116.5(2) . . ? O4 C32 C31 119.5(2) . . ? O4 C32 O3 124.0(2) . . ? C5 N1 C1 119.7(2) . . ? H1A N1 C1 120.5(17) . . ? H1A N1 C5 119.6(17) . . ? H1A O1 C29 115.4(15) . . ? O1 H1A N1 172(3) . . ? H3 O3 C32 115(3) . . ? 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 C15 H15 1.03(4) . ? C15 C16 1.383(4) . ? C15 N2 1.336(4) . ? C16 H16 0.92(4) . ? C16 C17 1.386(4) . ? C17 C18 1.386(4) . ? C17 C20 1.468(3) . ? C18 H18 1.13(4) . ? C18 C19 1.366(4) . ? C19 H19 1.11(3) . ? C19 N2 1.331(3) . ? C20 H20 1.07(6) . ? C20 C21 1.340(3) . ? C21 H21 1.13(4) . ? C21 C22 1.459(3) . ? C22 C23 1.371(4) . ? C22 C28 1.414(4) . ? C23 H23 1.05(4) . ? C23 C24 1.394(4) . ? C24 H24 1.10(4) . ? C24 C25 1.401(5) . ? C25 C26 1.505(4) . ? C25 C27 1.375(4) . ? C26 H26A 1.01(4) . ? C26 H26B 1.07(6) . ? C26 H26C 1.04(4) . ? C27 H27 1.02(4) . ? C27 C28 1.382(4) . ? C28 H28 1.05(3) . ? C1 H1 1.06(3) . ? C1 C2 1.377(3) . ? C1 N1 1.341(3) . ? C2 H2 1.06(4) . ? C2 C3 1.396(4) . ? C3 C4 1.401(4) . ? C3 C6 1.458(3) . ? C4 H4 1.02(4) . ? C4 C5 1.373(4) . ? C5 H5 1.03(3) . ? C5 N1 1.323(3) . ? C6 H6 1.21(3) . ? C6 C7 1.328(4) . ? C7 H7 1.10(4) . ? C7 C8 1.467(4) . ? C8 C9 1.380(4) . ? C8 C14 1.402(5) . ? C9 H9 1.12(3) . ? C9 C10 1.372(4) . ? C10 H10 1.00(4) . ? C10 C11 1.394(4) . ? C11 C12 1.501(4) . ? C11 C13 1.385(4) . ? C12 H12A 1.01(5) . ? C12 H12B 1.07(5) . ? C12 H12C 1.09(6) . ? C13 H13 0.99(3) . ? C13 C14 1.388(4) . ? C14 H14 1.04(5) . ? C29 C30 1.492(4) . ? C29 O1 1.284(3) . ? C29 O2 1.222(3) . ? C30 H30 0.96(4) . ? C30 C31 1.322(3) . ? C31 H31 1.02(4) . ? C31 C32 1.485(4) . ? C32 O3 1.286(3) . ? C32 O4 1.226(3) . ? N1 H1A 1.20(4) . ? O1 H1A 1.35(4) . ? O3 H3 0.98(6) . ? 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 C15 C16 C17 C18 0.4(3) . . . . ? C15 C16 C17 C20 178.1(3) . . . . ? C15 N2 C19 C18 0.9(3) . . . . ? C16 C17 C18 C19 -0.4(3) . . . . ? C16 C17 C20 C21 6.4(3) . . . . ? C17 C18 C19 N2 -0.2(3) . . . . ? C17 C20 C21 C22 -178.7(3) . . . . ? C20 C21 C22 C23 172.3(3) . . . . ? C20 C21 C22 C28 -7.8(3) . . . . ? C21 C22 C23 C24 -178.7(3) . . . . ? C21 C22 C28 C27 179.0(3) . . . . ? C22 C23 C24 C25 -0.6(3) . . . . ? C22 C28 C27 C25 0.0(4) . . . . ? C23 C24 C25 C26 -179.5(3) . . . . ? C23 C24 C25 C27 -0.4(3) . . . . ? C24 C25 C27 C28 0.7(3) . . . . ? C1 C2 C3 C4 1.8(3) . . . . ? C1 C2 C3 C6 -178.9(2) . . . . ? C1 N1 C5 C4 1.1(3) . . . . ? C2 C3 C4 C5 -1.3(3) . . . . ? C2 C3 C6 C7 7.0(3) . . . . ? C3 C4 C5 N1 -0.2(3) . . . . ? C3 C6 C7 C8 179.6(2) . . . . ? C6 C7 C8 C9 171.7(3) . . . . ? C6 C7 C8 C14 -6.4(3) . . . . ? C7 C8 C9 C10 -178.2(2) . . . . ? C7 C8 C14 C13 178.3(3) . . . . ? C8 C9 C10 C11 -0.5(3) . . . . ? C8 C14 C13 C11 -0.0(3) . . . . ? C9 C10 C11 C12 179.7(3) . . . . ? C9 C10 C11 C13 0.7(3) . . . . ? C10 C11 C13 C14 -0.4(3) . . . . ? C29 C30 C31 C32 -179.0(2) . . . . ? C30 C31 C32 O3 5.6(3) . . . . ? C30 C31 C32 O4 -175.6(3) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_f_squared_weight _refln_observed_status -28 0 2 83.220 109.388 24.247 17.370 o -28 0 4 2.012 1.812 12.727 67.484 o -28 0 6 1.199 -4.552 16.977 37.929 o -28 0 8 144.461 141.206 17.883 25.989 o -27 1 1 36.751 47.889 15.746 42.708 o -27 1 2 17.183 9.104 8.477 149.984 o -27 1 3 5.914 9.406 12.123 74.258 o -27 1 4 4.783 6.665 9.987 109.458 o -27 1 5 3.824 -0.604 6.665 245.887 o -27 1 7 34.923 32.120 9.406 116.128 o -27 1 8 46.347 47.889 11.217 80.028 o -27 1 10 3.272 0.906 17.279 36.612 o -27 1 11 36.256 28.172 11.519 79.091 o -27 3 5 6.251 9.104 9.406 123.212 o -26 0 2 90.011 69.395 5.458 171.628 o -26 0 4 8.905 8.477 9.104 131.301 o -26 0 8 124.554 106.973 7.873 83.388 o -26 0 10 15.981 26.058 15.143 47.299 o -26 0 12 11.954 19.393 15.746 43.910 o -26 2 1 17.312 36.068 8.175 157.172 o -26 2 2 3.233 11.519 7.269 206.194 o -26 2 3 9.186 10.916 7.269 205.067 o -26 2 4 2.618 5.458 9.406 123.480 o -26 2 5 21.280 25.152 6.665 232.959 o -26 2 6 46.360 50.908 6.967 182.846 o -26 2 7 38.712 31.516 6.967 198.719 o -26 2 8 2.959 2.415 10.614 97.014 o -26 2 9 95.902 75.155 6.364 137.786 o -26 2 10 1.918 7.269 5.760 328.873 o -26 2 11 0.625 1.812 8.779 141.840 o -26 2 12 2.829 2.717 7.873 176.256 o -25 1 1 161.452 132.729 10.289 49.915 o -25 1 2 16.676 21.204 4.552 489.284 o -25 1 3 63.536 59.084 7.269 152.403 o -25 1 4 18.399 10.916 7.873 172.903 o -25 1 5 3.861 2.415 6.967 224.940 o -25 1 6 40.631 32.120 9.406 114.498 o -25 1 7 41.991 46.054 7.873 153.535 o -25 1 8 16.506 12.727 7.571 186.991 o -25 1 9 10.471 9.406 5.458 360.925 o -25 1 10 15.145 8.779 5.760 321.477 o -25 1 11 6.905 5.156 8.779 141.489 o -25 1 12 2.065 9.987 8.779 141.650 o -25 1 13 38.178 56.064 9.104 118.260 o -25 1 14 34.889 53.951 10.916 85.747 o -25 3 1 42.539 43.639 9.987 100.514 o -25 3 2 32.859 36.370 13.029 62.315 o -25 3 3 11.822 18.487 10.614 96.220 o -25 3 4 1.582 2.113 7.269 206.822 o -25 3 5 15.607 19.695 7.873 172.435 o -25 3 6 108.785 121.813 14.237 41.181 o -25 3 7 3.500 11.519 8.477 151.739 o -25 3 8 19.261 21.529 7.269 199.462 o -25 3 9 7.894 8.779 6.967 223.684 o -25 3 10 23.028 17.279 7.571 183.704 o -25 3 11 17.094 13.331 7.571 186.702 o -25 3 12 24.706 29.402 6.967 210.517 o -24 0 2 37.909 47.564 9.708 106.613 o -24 0 4 243.522 263.019 8.477 28.881 o -24 0 6 43.139 41.224 14.539 49.639 o -24 0 8 25.337 35.464 7.873 165.562 o -24 0 10 0.089 3.646 5.760 329.460 o -24 0 12 87.941 126.365 29.402 11.957 o -24 0 14 34.656 25.756 15.143 46.675 o -24 0 16 191.526 175.462 16.977 23.856 o -24 2 1 130.870 139.092 13.029 42.483 o -24 2 2 61.267 63.032 13.331 55.639 o -24 2 3 93.118 86.047 12.123 58.341 o -24 2 4 12.452 11.217 6.364 265.307 o -24 2 5 457.106 443.335 13.029 9.309 o -24 2 6 13.778 5.458 6.967 222.477 o -24 2 7 197.067 188.189 6.967 46.842 o -24 2 8 35.551 31.214 4.552 413.671 o -24 2 9 9.558 16.071 9.708 115.175 o -24 2 10 23.344 13.331 6.967 216.445 o -24 2 11 4.410 12.727 7.873 175.647 o -24 2 12 32.144 39.993 6.665 217.098 o -24 2 13 14.961 11.217 7.873 173.778 o -24 2 14 10.345 11.217 7.269 204.732 o -24 2 15 90.796 80.915 13.633 48.932 o -24 4 1 11.814 0.604 7.571 189.652 o -24 4 2 199.033 160.900 12.727 32.900 o -24 4 3 41.734 46.356 7.873 153.599 o -24 4 4 58.875 53.022 16.071 39.871 o -24 4 5 21.139 27.568 14.841 49.045 o -24 4 6 8.448 -2.113 8.175 163.198 o -24 4 7 7.345 7.571 6.967 223.954 o -24 4 8 19.420 21.529 10.916 90.247 o -24 4 9 11.411 22.714 9.104 130.124 o -24 4 10 3.776 9.708 11.519 82.284 o -24 4 11 22.838 24.247 8.175 157.305 o -23 1 1 103.605 89.996 7.269 108.249 o -23 1 2 134.557 132.729 8.477 68.378 o -23 1 3 60.386 62.126 6.967 163.708 o -23 1 4 13.042 16.675 6.062 289.672 o -23 1 5 261.139 256.981 8.175 27.479 o -23 1 6 14.536 18.185 3.948 650.516 o -23 1 7 97.538 93.340 9.987 75.356 o -23 1 8 14.192 16.977 8.779 139.815 o -23 1 9 21.019 17.581 7.269 199.565 o -23 1 10 13.738 16.373 4.854 444.238 o -23 1 11 143.128 156.673 7.873 64.716 o -23 1 12 51.457 36.370 6.665 198.756 o -23 1 13 106.287 128.479 15.444 36.208 o -23 1 14 9.167 14.841 8.175 162.123 o -23 1 15 142.591 181.222 13.331 36.897 o -23 1 16 37.983 33.025 8.175 149.129 o -23 3 1 115.132 117.888 9.406 70.739 o -23 3 2 113.836 107.878 10.289 65.373 o -23 3 3 27.416 24.247 9.406 118.982 o -23 3 4 53.620 48.191 8.779 121.149 o -23 3 5 20.059 20.600 9.987 107.451 o -23 3 6 39.885 39.691 12.425 67.415 o -23 3 7 33.130 27.870 6.364 241.199 o -23 3 8 0.798 1.208 9.406 123.561 o -23 3 9 5.197 -1.510 7.571 190.515 o -23 3 10 4.585 10.289 7.269 206.077 o -23 3 11 53.522 51.512 6.665 188.059 o -23 3 12 117.094 98.472 9.406 73.472 o -23 3 13 42.824 43.941 8.779 126.790 o -23 3 14 23.515 37.578 6.665 226.197 o -23 3 15 82.789 64.541 8.477 108.536 o -23 5 1 108.880 87.278 13.029 49.585 o -23 5 2 6.376 4.250 9.104 131.648 o -23 5 3 3.765 18.487 16.977 37.881 o -23 5 4 19.529 26.058 9.104 128.320 o -23 5 5 53.356 61.220 13.029 59.052 o -23 5 6 10.470 6.364 8.175 162.590 o -23 5 7 33.032 27.568 10.916 88.214 o -23 5 8 27.130 37.276 9.104 125.010 o -23 5 9 16.117 16.977 9.104 129.830 o -23 5 10 18.238 33.629 10.916 89.734 o -22 0 2 377.659 393.030 17.279 10.745 o -22 0 4 1187.560 1239.080 12.123 1.504 o -22 0 6 519.471 527.571 9.104 7.696 o -22 0 8 53.103 52.418 7.269 164.250 o -22 0 10 144.541 180.293 16.373 28.163 o -22 0 12 217.641 164.547 19.393 19.106 o -22 0 14 179.369 199.685 28.799 10.940 o -22 0 16 12.625 18.487 14.841 49.404 o -22 2 1 474.069 464.841 19.091 7.525 o -22 2 2 15.758 16.071 5.760 317.718 o -22 2 3 405.679 396.352 17.883 9.806 o -22 2 4 6.678 6.967 7.571 189.965 o -22 2 5 63.322 78.476 6.967 152.943 o -22 2 6 9.124 11.217 6.364 266.848 o -22 2 7 88.184 78.476 10.289 77.394 o -22 2 8 12.434 16.071 4.250 576.077 o -22 2 9 70.226 75.457 6.665 156.535 o -22 2 10 22.435 15.444 7.571 184.335 o -22 2 11 450.047 561.804 18.487 7.256 o -22 2 12 86.522 95.755 10.916 68.958 o -22 2 13 27.580 25.756 7.571 179.533 o -22 2 14 40.636 44.847 9.987 100.849 o -22 2 15 47.088 45.149 10.916 84.269 o -22 2 16 23.589 18.789 8.779 137.614 o -22 2 17 33.257 31.818 8.477 141.738 o -22 4 1 220.919 232.734 14.841 23.345 o -22 4 2 197.240 169.099 14.841 27.791 o -22 4 3 3.657 4.250 8.779 141.715 o -22 4 4 262.806 231.805 16.977 18.192 o -22 4 5 44.174 35.766 8.477 136.217 o -22 4 6 177.004 158.183 14.539 30.850 o -22 4 7 35.231 39.389 6.364 232.243 o -22 4 8 0.569 -6.665 6.665 246.060 o -22 4 9 101.945 90.297 10.289 71.439 o -22 4 10 51.685 69.697 8.779 117.052 o -22 4 11 29.999 30.308 10.614 93.362 o -22 4 12 64.203 65.772 9.708 95.232 o -22 4 13 23.321 23.039 11.217 85.090 o -22 4 14 67.644 70.301 11.217 73.434 o -22 6 3 21.387 19.695 19.091 29.822 o -22 6 4 0.088 3.948 9.708 115.989 o -22 6 5 7.186 9.708 10.916 91.509 o -22 6 6 6.054 -0.302 10.289 103.199 o -21 1 1 459.934 453.925 19.996 7.652 o -21 1 2 109.640 119.398 7.571 91.218 o -21 1 3 95.790 96.963 7.571 106.442 o -21 1 4 162.743 159.391 9.987 47.972 o -21 1 5 47.966 49.701 4.854 311.269 o -21 1 6 244.285 236.659 13.029 23.951 o -21 1 7 46.897 53.649 7.873 148.060 o -21 1 8 5.388 6.364 4.854 460.868 o -21 1 9 101.029 120.304 9.104 78.351 o -21 1 10 455.567 489.993 11.217 9.141 o -21 1 11 592.319 464.841 15.143 6.384 o -21 1 12 6.094 22.412 7.571 188.564 o -21 1 13 59.615 79.080 7.269 147.177 o -21 1 14 175.442 186.656 13.633 31.839 o -21 1 15 0.398 3.019 8.477 152.117 o -21 1 16 22.511 34.535 6.967 210.257 o -21 1 17 6.486 13.633 11.519 82.146 o -21 1 18 1.720 3.019 10.916 91.734 o -21 3 1 56.949 56.366 6.364 194.188 o -21 3 2 60.655 66.353 8.779 113.563 o -21 3 3 20.752 23.643 7.873 170.019 o -21 3 4 150.572 118.167 23.039 17.446 o -21 3 5 37.190 40.597 7.873 157.998 o -21 3 6 188.156 207.884 24.247 14.126 o -21 3 7 52.161 53.022 7.269 164.797 o -21 3 8 13.065 26.360 6.967 218.442 o -21 3 9 12.708 18.789 6.062 289.148 o -21 3 10 734.004 816.973 28.497 2.989 o -21 3 11 331.702 309.097 7.873 18.930 o -21 3 12 177.524 193.647 11.821 35.979 o -21 3 13 7.590 9.987 10.614 96.750 o -21 3 14 178.413 220.611 9.987 38.838 o -21 3 15 89.723 75.155 13.331 51.314 o -21 3 16 24.631 27.266 7.269 195.096 o -21 5 1 78.498 72.112 11.217 70.784 o -21 5 2 16.037 7.873 8.779 140.266 o -21 5 3 40.919 37.879 10.614 90.752 o -21 5 4 6.909 4.552 8.779 141.512 o -21 5 5 24.671 23.039 8.779 136.781 o -21 5 6 18.225 13.331 10.614 95.896 o -21 5 7 1.583 8.175 10.614 96.986 o -21 5 8 17.787 19.996 9.708 113.965 o -21 5 9 92.806 98.171 12.727 53.101 o -21 5 10 59.052 57.574 8.779 116.434 o -21 5 11 90.762 92.736 12.425 55.952 o -21 5 12 117.538 126.365 12.123 50.105 o -21 5 13 22.736 20.298 9.708 113.169 o -20 0 2 558.249 537.557 12.727 6.612 o -20 0 4 42.366 35.464 6.665 209.015 o -20 0 6 823.986 858.777 16.373 2.960 o -20 0 8 1113.670 1187.570 37.276 1.411 o -20 0 10 1389.780 1744.240 23.643 0.933 o -20 0 12 136.859 137.583 7.571 73.108 o -20 0 14 80.027 90.901 8.175 108.068 o -20 0 16 41.270 28.497 6.364 231.540 o -20 0 18 0.576 6.967 15.444 45.825 o -20 2 1 495.264 497.867 16.071 7.458 o -20 2 2 22.131 24.247 3.948 602.442 o -20 2 3 703.742 711.208 27.266 3.427 o -20 2 4 64.969 56.064 5.156 240.579 o -20 2 5 602.860 606.953 13.633 5.530 o -20 2 6 7.901 6.062 6.364 268.240 o -20 2 7 11.356 15.746 6.364 264.696 o -20 2 8 71.505 78.476 4.552 230.342 o -20 2 9 430.652 499.701 10.289 9.800 o -20 2 10 9.074 16.675 5.760 323.102 o -20 2 11 531.047 530.590 12.727 7.077 o -20 2 12 25.697 21.831 6.967 212.411 o -20 2 13 247.417 277.883 13.029 22.075 o -20 2 14 92.546 87.278 7.571 111.826 o -20 2 15 13.152 23.039 7.571 186.396 o -20 2 16 43.536 34.535 12.123 70.515 o -20 2 17 119.045 94.849 18.789 26.442 o -20 2 18 6.710 6.364 8.175 163.058 o -20 4 1 2.217 0.906 5.458 366.816 o -20 4 2 157.195 157.277 15.143 31.185 o -20 4 3 28.187 23.945 4.552 451.048 o -20 4 4 33.713 41.828 7.873 159.611 o -20 4 5 28.644 30.912 9.708 111.005 o -20 4 6 40.141 39.691 9.104 120.492 o -20 4 7 47.900 48.493 6.665 195.996 o -20 4 8 119.659 148.800 18.185 26.483 o -20 4 9 20.837 13.633 8.477 148.684 o -20 4 10 587.221 673.631 28.497 4.089 o -20 4 11 50.547 67.886 11.519 73.736 o -20 4 12 3.210 6.665 9.708 115.885 o -20 4 13 48.527 45.451 10.289 93.499 o -20 4 14 5.840 16.675 11.519 82.114 o -20 4 15 20.229 13.331 9.987 107.910 o -20 4 16 9.617 9.987 8.477 151.155 o -20 6 1 84.251 70.603 13.331 52.338 o -20 6 2 9.950 0.302 17.883 34.161 o -20 6 3 79.200 79.707 17.581 32.154 o -20 6 4 30.738 36.068 9.987 104.197 o -20 6 5 74.647 78.476 9.406 93.637 o -20 6 6 7.182 9.406 8.779 141.285 o -20 6 7 5.859 12.123 13.935 56.210 o -20 6 8 29.542 25.454 9.104 125.977 o -20 6 9 51.447 56.668 10.614 86.402 o -20 6 10 3.576 9.708 16.071 42.300 o -20 6 11 16.216 14.237 11.519 81.654 o -19 1 1 29.385 31.516 6.062 265.431 o -19 1 2 26.564 28.497 4.854 402.031 o -19 1 3 99.095 90.297 5.156 151.946 o -19 1 4 21.635 23.643 4.250 533.175 o -19 1 5 388.306 401.507 10.289 12.676 o -19 1 6 88.934 92.434 5.458 157.042 o -19 1 7 53.073 57.272 8.175 134.321 o -19 1 8 108.784 120.907 8.175 84.562 o -19 1 9 1811.450 1777.270 82.726 0.481 o -19 1 10 1642.740 1554.240 36.672 0.775 o -19 1 11 160.010 140.904 12.123 41.602 o -19 1 12 243.792 306.054 10.916 23.638 o -19 1 13 292.578 191.812 92.132 1.240 o -19 1 14 87.469 63.636 14.539 45.101 o -19 1 15 4.966 5.458 5.760 328.262 o -19 1 16 2.105 1.208 6.967 225.126 o -19 1 17 43.787 52.116 11.519 76.271 o -19 1 18 33.000 33.954 6.062 259.123 o -19 1 19 54.203 62.126 9.708 99.298 o -19 3 1 101.435 103.930 6.364 119.085 o -19 3 2 26.595 29.101 7.269 193.374 o -19 3 3 48.445 47.564 4.552 340.615 o -19 3 4 74.101 70.905 12.123 63.140 o -19 3 5 186.874 197.270 11.821 34.435 o -19 3 6 9.434 15.746 7.873 174.526 o -19 3 7 86.493 83.632 8.477 101.454 o -19 3 8 478.502 544.850 21.831 6.408 o -19 3 9 364.638 384.554 16.675 11.456 o -19 3 10 858.975 740.007 20.902 2.931 o -19 3 11 147.457 169.702 10.614 47.466 o -19 3 12 99.399 111.200 9.104 80.820 o -19 3 13 91.623 89.392 9.708 81.123 o -19 3 14 63.986 68.188 10.916 78.018 o -19 3 15 35.736 33.629 8.477 140.372 o -19 3 16 13.969 16.675 7.269 202.720 o -19 3 17 6.869 8.175 16.977 37.895 o -19 3 18 21.586 29.704 9.708 112.543 o -19 5 1 28.455 24.247 6.967 209.692 o -19 5 2 1.900 1.208 6.062 297.419 o -19 5 3 49.137 40.922 9.987 99.120 o -19 5 4 32.790 30.912 7.873 163.018 o -19 5 5 102.109 100.307 16.071 35.398 o -19 5 6 52.822 59.385 10.614 85.746 o -19 5 7 105.044 110.596 7.571 96.421 o -19 5 8 70.957 89.090 7.873 120.036 o -19 5 9 629.886 678.786 33.629 3.438 o -19 5 10 107.280 112.732 11.519 57.211 o -19 5 11 60.814 70.301 7.571 141.238 o -19 5 12 5.551 2.717 13.029 64.360 o -19 5 13 16.129 24.548 12.123 73.503 o -19 5 14 65.110 60.918 12.425 62.721 o -19 5 15 19.565 38.483 37.879 7.602 o -19 7 1 4.143 6.665 19.695 28.176 o -19 7 2 3.758 10.916 14.841 49.596 o -19 7 3 2.392 2.717 15.746 44.086 o -19 7 4 11.310 14.237 12.727 67.184 o -19 7 5 14.598 6.665 9.708 115.144 o -19 7 6 5.723 7.269 15.746 44.057 o -18 0 2 388.205 377.284 6.062 14.342 o -18 0 4 706.520 752.432 8.477 4.160 o -18 0 6 24.574 26.662 5.156 367.894 o -18 0 8 893.706 995.152 12.425 2.499 o -18 0 10 1657.590 1689.080 34.837 0.735 o -18 0 12 1042.090 1131.200 30.308 1.668 o -18 0 14 149.482 146.362 13.935 36.166 o -18 0 16 590.452 597.268 38.483 3.412 o -18 0 18 8.324 13.029 9.104 131.139 o -18 0 20 107.078 133.333 18.487 26.822 o -18 2 1 86.870 72.414 7.571 120.997 o -18 2 2 22.526 30.912 5.156 367.735 o -18 2 3 9.111 9.987 5.156 404.646 o -18 2 4 16.951 18.487 4.854 436.297 o -18 2 5 257.398 257.584 17.581 17.236 o -18 2 6 109.547 108.784 11.519 57.148 o -18 2 7 1877.300 2032.110 36.974 0.557 o -18 2 8 5.935 11.217 4.552 520.296 o -18 2 9 1212.180 1418.770 28.799 1.231 o -18 2 10 17.310 23.945 6.364 258.053 o -18 2 11 208.632 212.111 8.175 38.664 o -18 2 12 4.483 5.156 6.364 269.244 o -18 2 13 234.413 243.928 8.779 30.883 o -18 2 14 1.230 0.000 5.760 329.507 o -18 2 15 3.704 9.987 12.123 74.299 o -18 2 16 22.109 34.233 9.708 112.013 o -18 2 17 21.715 19.695 7.269 198.714 o -18 2 18 8.660 12.727 10.614 96.624 o -18 2 19 23.308 20.902 12.123 73.146 o -18 4 1 61.641 56.668 4.854 265.267 o -18 4 2 203.782 191.208 12.123 31.928 o -18 4 3 60.935 59.385 4.250 303.913 o -18 4 4 247.047 250.896 16.977 18.505 o -18 4 5 205.370 160.296 16.675 23.984 o -18 4 6 14.031 11.821 9.104 130.533 o -18 4 7 96.933 103.930 6.665 117.844 o -18 4 8 340.250 341.518 23.643 9.689 o -18 4 9 72.841 89.694 11.519 67.112 o -18 4 10 251.192 263.321 14.237 20.932 o -18 4 11 63.644 61.522 7.571 142.429 o -18 4 12 69.834 68.791 8.477 114.418 o -18 4 13 31.185 29.983 11.217 83.784 o -18 4 14 13.835 24.850 6.364 260.301 o -18 4 15 64.146 63.636 14.841 45.490 o -18 4 16 163.935 160.598 14.841 31.208 o -18 4 17 10.548 23.643 12.727 67.040 o -18 6 1 36.579 27.870 8.779 132.299 o -18 6 2 3.034 -3.948 8.477 152.091 o -18 6 3 23.635 44.847 10.289 98.953 o -18 6 4 35.051 40.922 11.821 74.641 o -18 6 5 18.258 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252.429 4.552 31.950 o -12 2 7 275.051 267.571 6.967 26.471 o -12 2 8 253.669 256.655 5.760 31.116 o -12 2 9 569.655 512.730 10.916 6.804 o -12 2 10 7.653 12.425 3.948 682.950 o -12 2 11 60.086 53.649 6.665 179.517 o -12 2 12 213.783 195.459 9.708 35.746 o -12 2 13 536.878 523.623 18.185 6.350 o -12 2 14 1.661 1.208 4.552 527.308 o -12 2 15 257.338 269.081 11.519 23.383 o -12 2 16 4.370 6.665 6.665 245.349 o -12 2 17 18.875 14.841 6.967 218.417 o -12 2 18 13.014 20.298 12.425 70.279 o -12 2 19 6.873 11.821 9.987 109.226 o -12 2 20 14.781 24.548 6.665 237.531 o -12 2 21 75.118 77.570 13.331 53.069 o -12 4 1 73.877 65.447 4.854 226.164 o -12 4 2 897.148 879.679 29.983 2.279 o -12 4 3 5.698 4.854 3.646 813.457 o -12 4 4 178.412 173.929 9.406 45.170 o -12 4 5 61.458 66.957 5.760 206.949 o -12 4 6 68.549 57.876 5.156 231.104 o -12 4 7 294.309 262.717 11.519 20.714 o -12 4 8 330.290 349.089 18.789 12.031 o -12 4 9 619.224 636.355 21.831 4.569 o -12 4 10 42.298 43.035 7.571 165.132 o -12 4 11 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491.202 498.470 9.104 8.552 o 8 2 8 4.793 14.841 8.477 151.448 o 8 2 9 295.660 277.883 13.935 18.040 o 8 2 10 61.535 56.668 7.269 155.172 o 8 2 11 89.696 103.628 12.123 57.346 o 8 2 12 138.548 126.365 11.519 49.372 o 8 2 13 146.643 142.413 8.175 64.190 o 8 2 14 11.816 13.331 8.779 140.492 o 8 2 15 151.724 133.635 8.477 62.117 o 8 2 16 2.441 -1.208 12.425 70.805 o 8 2 17 332.288 338.174 18.487 12.285 o 8 2 18 17.360 20.298 9.406 121.304 o 8 4 0 407.110 359.076 8.175 13.377 o 8 4 1 106.866 95.755 5.458 133.323 o 8 4 2 515.449 539.694 15.444 6.905 o 8 4 3 199.364 208.789 8.175 40.790 o 8 4 4 87.043 88.486 4.854 178.801 o 8 4 5 45.171 52.418 5.156 290.040 o 8 4 6 116.200 112.129 7.873 86.292 o 8 4 7 1156.960 1109.370 28.497 1.518 o 8 4 8 142.346 147.569 8.477 62.934 o 8 4 9 94.622 118.167 11.217 61.644 o 8 4 10 107.090 121.511 9.406 72.931 o 8 4 11 87.197 85.467 9.104 91.336 o 8 4 12 117.384 116.982 11.519 54.623 o 8 4 13 99.372 99.703 8.175 94.747 o 8 4 14 11.676 9.708 12.425 70.539 o 8 4 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489.088 10.289 8.757 o 9 1 3 1718.870 1560.300 23.643 0.771 o 9 1 4 182.594 166.358 6.062 57.310 o 9 1 5 118.774 133.635 4.854 110.805 o 9 1 6 48.183 43.337 4.250 380.888 o 9 1 7 377.919 420.900 9.987 12.793 o 9 1 8 326.913 275.142 11.821 17.917 o 9 1 9 601.308 537.279 14.237 5.900 o 9 1 10 76.176 69.395 4.854 217.065 o 9 1 11 744.957 865.443 25.152 2.990 o 9 1 12 1143.270 1202.110 27.568 1.478 o 9 1 13 81.020 63.937 9.987 85.698 o 9 1 14 15.613 22.714 6.967 218.076 o 9 1 15 152.445 139.696 12.425 41.706 o 9 1 16 34.490 31.818 8.477 141.248 o 9 1 17 109.135 117.888 14.841 38.789 o 9 1 18 11.491 24.850 10.916 90.802 o 9 3 0 1083.120 993.921 27.266 1.767 o 9 3 1 1703.120 1864.240 38.785 0.657 o 9 3 2 337.462 360.307 5.760 17.708 o 9 3 3 1583.600 1658.170 39.389 0.768 o 9 3 4 355.015 349.693 6.665 16.650 o 9 3 5 363.825 337.268 8.175 15.960 o 9 3 6 754.820 669.079 17.883 3.760 o 9 3 7 317.593 280.298 10.289 19.428 o 9 3 8 294.322 265.458 10.916 21.154 o 9 3 9 120.772 95.151 8.779 78.727 o 9 3 10 5.170 10.614 6.665 244.745 o 9 3 11 351.483 355.755 16.373 12.436 o 9 3 12 710.864 794.236 26.662 3.227 o 9 3 13 20.980 -2.113 19.091 29.918 o 9 3 14 13.662 18.185 9.104 130.126 o 9 3 15 42.953 50.003 13.633 55.798 o 9 3 16 29.200 28.172 9.104 125.702 o 9 3 17 113.147 126.667 11.217 56.427 o 9 5 0 66.509 68.791 5.458 210.286 o 9 5 1 789.149 858.173 34.233 2.480 o 9 5 2 40.613 39.087 8.477 137.082 o 9 5 3 725.833 754.243 17.581 3.691 o 9 5 4 135.454 146.664 12.425 43.829 o 9 5 5 43.864 52.418 8.779 124.548 o 9 5 6 633.223 591.206 16.675 5.063 o 9 5 7 94.179 82.424 7.269 117.791 o 9 5 8 181.034 172.118 8.779 46.997 o 9 5 9 247.161 263.019 15.746 19.501 o 9 5 10 47.014 43.337 8.477 133.085 o 9 5 11 59.983 53.649 9.104 110.077 o 9 5 12 66.665 84.840 10.289 82.946 o 9 5 13 0.438 5.156 9.708 115.976 o 9 5 14 7.989 4.250 8.477 151.663 o 9 5 15 56.205 51.814 10.289 90.683 o 9 7 0 39.828 26.662 8.175 149.770 o 9 7 1 50.718 55.460 9.987 96.617 o 9 7 2 5.863 2.717 14.841 49.612 o 9 7 3 100.423 113.034 9.987 71.250 o 9 7 4 23.082 18.185 6.967 215.195 o 9 7 5 5.491 6.062 7.873 175.915 o 9 7 6 193.814 182.731 13.633 30.102 o 9 7 7 115.502 117.888 10.289 63.484 o 9 7 8 169.760 163.943 14.539 31.276 o 9 7 9 133.302 113.336 19.393 24.040 o 9 7 10 1.353 0.604 7.873 176.348 o 9 7 11 13.802 9.104 7.571 188.298 o 9 9 0 4.824 3.019 8.477 151.949 o 10 0 0 2228.350 2006.350 16.373 0.475 o 10 0 2 1051.960 1149.090 15.143 1.823 o 10 0 4 1175.560 1048.780 16.675 1.662 o 10 0 6 543.546 478.776 9.708 7.641 o 10 0 8 2254.740 2239.990 63.937 0.378 o 10 0 10 521.093 530.892 13.633 7.123 o 10 0 12 398.353 378.469 9.104 13.082 o 10 0 14 91.783 89.996 15.444 39.139 o 10 0 16 322.695 322.428 13.935 15.512 o 10 0 18 15.703 29.101 10.916 90.241 o 10 2 0 73.465 73.645 4.250 245.206 o 10 2 1 3800.520 4070.560 51.814 0.142 o 10 2 2 64.139 72.740 4.250 272.696 o 10 2 3 709.822 667.267 9.104 4.450 o 10 2 4 17.945 23.643 4.552 482.599 o 10 2 5 124.106 121.209 5.760 101.635 o 10 2 6 1066.450 1046.040 23.945 1.798 o 10 2 7 85.572 78.778 7.571 119.647 o 10 2 8 956.736 968.165 21.204 2.197 o 10 2 9 97.118 77.872 9.104 88.704 o 10 2 10 14.389 17.883 7.571 186.843 o 10 2 11 71.633 86.651 8.175 114.299 o 10 2 12 44.679 34.837 9.987 101.094 o 10 2 13 23.176 19.695 6.062 279.446 o 10 2 14 7.649 5.760 9.708 115.703 o 10 2 15 9.528 6.665 13.029 64.263 o 10 2 16 42.902 51.814 9.708 104.548 o 10 2 17 22.288 18.487 9.406 120.611 o 10 4 0 344.462 311.814 10.614 16.601 o 10 4 1 150.482 150.287 8.779 58.130 o 10 4 2 140.850 116.982 6.062 88.603 o 10 4 3 253.387 258.792 8.175 28.299 o 10 4 4 144.516 179.991 7.571 61.682 o 10 4 5 874.920 859.079 25.454 2.509 o 10 4 6 363.565 333.645 13.331 13.819 o 10 4 7 113.070 112.430 10.289 64.942 o 10 4 8 2828.350 3063.610 75.457 0.232 o 10 4 9 37.823 34.233 9.104 122.196 o 10 4 10 78.816 90.599 10.289 78.400 o 10 4 11 59.657 56.668 13.029 58.575 o 10 4 12 23.430 26.662 8.175 156.671 o 10 4 13 21.246 21.831 7.873 170.173 o 10 4 14 36.407 36.068 9.406 115.155 o 10 4 15 5.284 6.665 11.217 86.768 o 10 6 0 39.230 43.337 5.760 264.957 o 10 6 1 181.914 189.397 5.458 55.602 o 10 6 2 20.172 24.247 4.854 423.157 o 10 6 3 39.690 44.545 7.571 166.410 o 10 6 4 12.542 17.279 7.269 203.121 o 10 6 5 23.351 19.091 9.708 113.167 o 10 6 6 516.647 526.967 19.695 6.375 o 10 6 7 90.129 89.090 9.708 81.713 o 10 6 8 430.334 472.737 16.977 8.694 o 10 6 9 115.955 119.096 11.217 56.647 o 10 6 10 69.180 69.697 7.571 135.100 o 10 6 11 114.620 124.252 10.916 58.379 o 10 6 12 5.547 1.208 10.916 91.688 o 10 8 0 1.461 -0.302 9.406 123.560 o 10 8 1 23.814 28.172 8.175 156.256 o 10 8 2 5.915 7.269 8.779 141.484 o 10 8 3 3.321 8.779 10.916 91.652 o 10 8 4 4.300 11.519 20.600 25.748 o 10 8 5 52.411 53.022 12.425 65.086 o 10 8 6 37.239 41.224 12.425 67.615 o 11 1 0 5127.800 5752.370 55.158 0.077 o 11 1 1 1735.840 1844.830 19.996 0.692 o 11 1 2 276.653 262.717 4.854 28.283 o 11 1 3 535.478 575.135 13.029 6.639 o 11 1 4 236.749 253.334 6.364 33.283 o 11 1 5 1046.990 984.237 12.727 2.052 o 11 1 6 356.881 359.703 8.779 15.502 o 11 1 7 1204.930 1096.970 28.172 1.458 o 11 1 8 686.603 674.838 16.373 4.280 o 11 1 9 99.021 107.275 6.665 114.785 o 11 1 10 328.753 338.174 12.123 15.905 o 11 1 11 757.177 793.028 32.724 2.752 o 11 1 12 43.855 28.799 7.269 181.471 o 11 1 13 1.374 3.646 7.873 176.301 o 11 1 14 53.559 52.116 8.477 127.593 o 11 1 15 59.437 68.489 8.477 120.141 o 11 1 16 91.181 78.476 12.425 57.096 o 11 1 17 8.026 4.552 11.821 78.101 o 11 3 0 2987.700 3237.540 74.853 0.211 o 11 3 1 462.980 479.078 14.539 8.491 o 11 3 2 542.294 545.756 11.821 6.882 o 11 3 3 297.023 332.716 6.967 21.157 o 11 3 4 267.328 271.821 7.873 26.247 o 11 3 5 797.978 663.621 14.237 3.661 o 11 3 6 129.398 101.515 5.760 105.178 o 11 3 7 413.240 377.284 13.633 11.204 o 11 3 8 453.403 433.325 13.935 9.319 o 11 3 9 1.512 3.646 8.175 163.519 o 11 3 10 78.076 89.090 6.967 134.421 o 11 3 11 282.919 326.353 15.746 16.033 o 11 3 12 32.355 23.341 9.708 111.022 o 11 3 13 11.296 7.571 9.708 115.393 o 11 3 14 65.509 57.876 15.444 42.377 o 11 3 15 59.762 69.697 13.633 53.231 o 11 3 16 20.434 21.204 11.519 81.101 o 11 5 0 172.387 173.651 9.104 47.659 o 11 5 1 182.995 181.222 9.987 41.575 o 11 5 2 263.512 290.610 8.175 25.351 o 11 5 3 131.310 121.813 8.175 74.172 o 11 5 4 85.798 81.820 6.967 130.846 o 11 5 5 636.143 656.049 29.704 3.758 o 11 5 6 317.905 299.691 11.217 18.134 o 11 5 7 345.713 326.956 11.821 15.505 o 11 5 8 85.756 86.651 8.477 101.048 o 11 5 9 14.860 26.662 10.614 95.576 o 11 5 10 165.182 171.816 7.269 57.445 o 11 5 11 106.566 134.842 9.406 70.770 o 11 5 12 18.632 15.746 10.614 95.744 o 11 5 13 0.478 1.208 12.425 70.810 o 11 5 14 19.592 21.529 9.987 107.451 o 11 7 0 135.801 126.667 13.331 41.383 o 11 7 1 13.388 16.675 5.760 319.624 o 11 7 2 209.578 206.049 7.571 40.431 o 11 7 3 8.799 7.873 8.779 141.201 o 11 7 4 28.844 32.120 8.779 134.194 o 11 7 5 166.344 153.933 12.727 37.560 o 11 7 6 46.973 51.814 9.406 109.264 o 11 7 7 128.880 135.748 9.708 61.194 o 11 7 8 10.450 19.393 9.708 114.921 o 11 7 9 0.823 1.510 12.425 70.809 o 12 0 0 5146.280 5617.830 86.047 0.075 o 12 0 2 602.265 605.443 16.071 5.348 o 12 0 4 93.851 86.651 6.062 140.567 o 12 0 6 175.331 209.695 11.217 36.810 o 12 0 8 347.177 349.391 14.237 13.725 o 12 0 10 312.036 265.156 13.935 17.486 o 12 0 12 26.835 21.529 8.175 156.366 o 12 0 14 11.513 14.237 9.708 115.076 o 12 0 16 0.045 7.571 14.539 51.713 o 12 2 0 107.095 116.982 6.364 109.020 o 12 2 1 530.276 524.250 9.104 7.529 o 12 2 2 298.212 325.749 7.269 21.171 o 12 2 3 1127.680 1133.920 10.916 1.713 o 12 2 4 602.362 586.050 10.916 5.855 o 12 2 5 1317.420 1198.790 24.548 1.269 o 12 2 6 87.460 85.467 8.175 105.331 o 12 2 7 9252.960 9697.790 173.929 0.024 o 12 2 8 73.505 62.428 10.916 76.417 o 12 2 9 264.995 299.087 15.143 18.101 o 12 2 10 56.845 57.272 13.633 54.177 o 12 2 11 58.592 63.636 9.987 92.997 o 12 2 12 14.996 13.935 10.916 90.949 o 12 2 13 11.807 8.779 7.571 188.827 o 12 2 14 1.128 3.019 12.425 70.805 o 12 2 15 120.470 129.408 12.727 46.178 o 12 2 16 27.974 31.818 19.091 29.655 o 12 4 0 777.095 775.447 8.779 3.602 o 12 4 1 54.689 62.730 6.062 206.699 o 12 4 2 402.186 386.969 11.821 11.969 o 12 4 3 10.457 13.331 5.156 401.592 o 12 4 4 11.807 14.539 4.552 508.136 o 12 4 5 653.513 671.819 17.883 4.454 o 12 4 6 137.238 120.002 13.331 41.641 o 12 4 7 1545.450 1609.980 42.106 0.791 o 12 4 8 18.540 25.756 7.269 198.786 o 12 4 9 196.756 211.809 13.331 28.964 o 12 4 10 0.128 0.604 8.779 141.849 o 12 4 11 23.160 15.746 10.289 101.268 o 12 4 12 4.340 7.269 11.519 82.299 o 12 4 13 6.544 3.321 8.779 141.580 o 12 4 14 12.412 15.143 9.104 130.527 o 12 6 0 56.167 53.649 7.873 141.969 o 12 6 1 37.565 35.139 6.364 231.995 o 12 6 2 21.037 19.393 6.062 281.738 o 12 6 3 27.386 39.389 8.779 133.479 o 12 6 4 289.341 315.460 8.175 21.750 o 12 6 5 69.033 76.363 10.916 75.806 o 12 6 6 135.732 134.842 10.289 55.822 o 12 6 7 1376.860 1490.600 34.233 0.995 o 12 6 8 66.338 63.636 14.237 48.872 o 12 6 9 16.559 9.987 8.175 161.136 o 12 6 10 4.749 5.156 6.364 269.188 o 12 6 11 7.143 10.916 7.873 175.385 o 12 8 0 24.566 28.799 8.779 136.007 o 12 8 1 6.852 3.019 7.873 175.932 o 12 8 2 7.137 3.948 7.873 175.851 o 12 8 3 5.488 16.071 12.425 70.629 o 12 8 4 9.095 8.175 9.104 131.298 o 12 8 5 22.342 17.883 11.519 81.081 o 13 1 0 1063.200 1080.900 13.331 1.890 o 13 1 1 257.057 256.981 9.708 26.132 o 13 1 2 866.323 921.507 24.247 2.469 o 13 1 3 1093.490 1128.490 28.497 1.607 o 13 1 4 1406.360 1163.930 19.996 1.212 o 13 1 5 493.528 438.783 19.695 7.307 o 13 1 6 1486.510 1431.800 27.568 0.964 o 13 1 7 1370.580 1384.230 37.879 1.021 o 13 1 8 131.896 142.715 7.571 74.167 o 13 1 9 83.009 90.901 8.175 106.332 o 13 1 10 141.092 149.706 10.614 51.008 o 13 1 11 13.154 14.237 7.269 203.432 o 13 1 12 33.309 24.850 10.614 93.270 o 13 1 13 33.122 36.068 9.104 123.403 o 13 1 14 166.295 176.670 14.237 31.775 o 13 1 15 12.886 4.854 15.444 45.734 o 13 1 16 5.027 1.812 11.519 82.337 o 13 3 0 595.152 634.543 23.341 4.632 o 13 3 1 192.433 203.332 5.458 50.061 o 13 3 2 529.170 505.740 5.760 7.999 o 13 3 3 22.844 32.422 5.760 299.514 o 13 3 4 1774.080 1773.020 36.672 0.652 o 13 3 5 616.675 587.885 15.746 5.317 o 13 3 6 1087.710 1024.830 21.831 1.804 o 13 3 7 74.941 72.414 8.477 110.655 o 13 3 8 128.794 133.333 9.987 59.728 o 13 3 9 271.438 302.408 15.444 17.408 o 13 3 10 95.632 110.294 9.406 79.195 o 13 3 11 63.437 49.701 10.289 88.989 o 13 3 12 19.234 13.935 9.104 129.558 o 13 3 13 48.639 51.512 6.364 207.985 o 13 3 14 183.521 207.884 14.237 28.554 o 13 3 15 37.123 38.483 8.779 130.151 o 13 5 0 125.850 138.488 6.967 83.114 o 13 5 1 294.886 300.898 11.519 19.345 o 13 5 2 32.869 28.497 6.967 204.781 o 13 5 3 31.128 39.087 6.665 218.527 o 13 5 4 394.782 365.463 9.708 13.309 o 13 5 5 191.230 167.264 8.175 47.212 o 13 5 6 145.354 126.063 9.708 57.865 o 13 5 7 207.274 190.001 10.916 34.338 o 13 5 8 76.579 85.769 10.614 76.041 o 13 5 9 8.532 13.029 9.987 109.076 o 13 5 10 130.065 136.677 9.104 64.798 o 13 5 11 11.385 13.331 10.916 91.208 o 13 5 12 12.372 10.614 9.987 108.872 o 13 7 0 42.003 33.954 7.269 180.914 o 13 7 1 32.677 44.847 12.727 64.842 o 13 7 2 3.176 3.321 9.406 123.495 o 13 7 3 19.851 25.756 8.175 158.055 o 13 7 4 64.259 64.541 8.175 125.444 o 13 7 5 38.445 42.733 10.614 90.762 o 13 7 6 142.024 135.144 11.217 49.329 o 13 7 7 39.560 45.451 9.104 119.684 o 13 7 8 1.878 7.873 9.708 115.909 o 14 0 0 299.204 326.654 5.760 21.881 o 14 0 2 1754.900 1711.820 21.204 0.714 o 14 0 4 1188.430 1091.210 22.714 1.546 o 14 0 6 20494.000 21281.900 351.807 0.005 o 14 0 8 57.577 73.343 7.571 142.548 o 14 0 10 16.431 10.289 8.779 140.006 o 14 0 12 26.936 17.279 12.425 69.568 o 14 0 14 115.238 132.729 11.519 53.431 o 14 2 0 49.107 39.993 4.250 383.918 o 14 2 1 519.809 551.817 12.727 7.087 o 14 2 2 58.783 66.957 8.779 114.319 o 14 2 3 564.745 524.854 11.821 6.700 o 14 2 4 224.258 227.880 14.841 23.279 o 14 2 5 175.301 175.137 7.571 52.562 o 14 2 6 568.127 610.599 16.675 5.631 o 14 2 7 150.642 141.508 13.935 36.313 o 14 2 8 270.685 273.935 15.444 18.194 o 14 2 9 153.614 153.631 11.519 43.998 o 14 2 10 25.663 25.152 8.779 136.214 o 14 2 11 110.570 108.784 8.175 86.650 o 14 2 12 7.429 6.062 8.779 141.412 o 14 2 13 71.939 81.820 7.269 135.619 o 14 2 14 32.434 35.464 10.289 98.187 o 14 2 15 93.152 125.459 12.727 50.857 o 14 4 0 106.791 111.200 7.269 99.077 o 14 4 1 33.608 37.276 6.364 235.374 o 14 4 2 215.265 213.643 13.331 27.066 o 14 4 3 454.840 454.831 22.714 7.141 o 14 4 4 169.396 170.306 8.175 52.531 o 14 4 5 196.450 197.270 13.633 29.097 o 14 4 6 4656.510 5106.930 127.875 0.084 o 14 4 7 143.449 137.281 32.120 9.677 o 14 4 8 6.716 11.217 8.779 141.242 o 14 4 9 109.838 109.086 9.406 74.173 o 14 4 10 23.238 30.308 8.779 136.171 o 14 4 11 4.544 13.029 10.289 103.017 o 14 4 12 19.921 20.902 13.633 58.192 o 14 4 13 14.181 19.091 13.633 58.435 o 14 6 0 13.883 16.071 4.854 444.248 o 14 6 1 99.284 82.424 10.614 70.219 o 14 6 2 20.736 29.101 5.458 336.352 o 14 6 3 16.343 17.883 6.967 218.914 o 14 6 4 92.860 106.973 11.821 58.636 o 14 6 5 21.143 25.756 8.175 157.626 o 14 6 6 232.664 232.130 9.104 31.411 o 14 6 7 2.685 -0.604 7.269 206.820 o 14 6 8 121.398 134.842 14.841 36.688 o 14 6 9 4.874 7.873 10.614 96.901 o 14 6 10 5.156 7.571 10.916 91.618 o 14 8 0 14.517 15.746 6.062 288.934 o 14 8 1 4.670 5.760 15.444 45.808 o 14 8 2 12.535 9.708 11.519 81.978 o 15 1 0 157.600 157.277 4.250 78.229 o 15 1 1 865.583 846.654 16.373 2.810 o 15 1 2 388.136 432.419 16.977 10.080 o 15 1 3 3466.500 3288.750 76.665 0.174 o 15 1 4 1013.840 917.861 23.945 2.062 o 15 1 5 784.059 763.626 17.279 3.351 o 15 1 6 379.680 377.865 13.331 12.385 o 15 1 7 94.037 102.723 11.519 61.145 o 15 1 8 157.130 173.325 10.916 43.950 o 15 1 9 26.615 25.756 6.364 249.051 o 15 1 10 109.732 110.596 7.873 90.075 o 15 1 11 37.043 23.643 10.614 92.759 o 15 1 12 82.836 70.301 9.987 84.040 o 15 1 13 509.635 555.138 22.714 5.855 o 15 1 14 36.656 27.266 16.071 41.441 o 15 1 15 21.701 17.883 8.779 138.179 o 15 3 0 148.230 149.706 6.967 69.609 o 15 3 1 101.722 107.878 6.364 117.140 o 15 3 2 167.024 170.004 7.571 55.830 o 15 3 3 762.228 672.423 14.841 3.835 o 15 3 4 482.607 407.871 16.373 8.437 o 15 3 5 654.999 634.845 26.360 3.966 o 15 3 6 945.823 923.621 36.068 1.945 o 15 3 7 287.365 263.623 16.373 16.788 o 15 3 8 112.957 133.936 17.581 28.793 o 15 3 9 122.501 121.511 7.571 83.742 o 15 3 10 43.737 43.337 8.779 126.535 o 15 3 11 40.210 31.214 11.519 78.373 o 15 3 12 67.717 81.519 12.727 58.263 o 15 3 13 223.767 258.490 19.393 16.876 o 15 5 0 47.188 56.970 6.967 179.128 o 15 5 1 11.826 9.987 6.967 222.375 o 15 5 2 159.321 155.141 8.779 54.818 o 15 5 3 330.673 347.580 15.143 13.941 o 15 5 4 124.145 129.408 10.614 57.414 o 15 5 5 532.701 520.301 24.247 5.582 o 15 5 6 13.145 18.789 13.029 63.982 o 15 5 7 27.261 26.058 9.104 126.497 o 15 5 8 32.062 38.181 11.519 78.989 o 15 5 9 6.075 15.143 7.571 189.370 o 15 5 10 22.836 13.633 9.406 120.946 o 15 5 11 29.833 26.662 11.821 76.020 o 15 7 0 84.183 82.726 11.217 68.242 o 15 7 1 25.236 28.172 9.104 126.743 o 15 7 2 53.189 58.178 9.708 100.292 o 15 7 3 6.351 6.967 9.708 115.741 o 15 7 4 65.548 56.366 6.364 183.271 o 15 7 5 24.449 29.983 7.269 194.404 o 15 7 6 64.377 52.720 9.104 108.417 o 16 0 0 219.219 248.782 8.477 33.199 o 16 0 2 2756.930 2598.160 11.821 0.304 o 16 0 4 271.311 260.604 9.987 24.218 o 16 0 6 176.066 187.562 7.873 49.522 o 16 0 8 76.902 82.122 8.477 106.969 o 16 0 10 209.192 179.991 8.175 41.725 o 16 0 12 298.757 313.649 16.977 14.758 o 16 0 14 271.643 306.960 20.600 13.358 o 16 2 0 16.279 18.487 5.760 316.010 o 16 2 1 394.826 318.177 10.916 13.871 o 16 2 2 45.608 46.356 6.665 199.693 o 16 2 3 337.466 332.112 15.746 13.653 o 16 2 4 188.857 171.212 7.873 48.323 o 16 2 5 10590.500 11057.500 271.217 0.017 o 16 2 6 119.826 108.784 13.935 41.989 o 16 2 7 318.990 313.649 18.185 13.262 o 16 2 8 85.915 96.963 6.665 130.438 o 16 2 9 95.220 96.057 9.406 82.065 o 16 2 10 9.960 7.873 11.821 77.995 o 16 2 11 22.125 21.529 9.104 128.249 o 16 2 12 8.800 3.948 10.614 96.829 o 16 2 13 94.540 87.580 13.331 49.820 o 16 4 0 73.912 63.032 7.269 141.833 o 16 4 1 48.052 61.522 4.854 294.635 o 16 4 2 219.178 220.913 8.175 35.991 o 16 4 3 141.468 155.744 10.614 50.252 o 16 4 4 33.938 27.870 7.269 189.008 o 16 4 5 369.269 371.501 17.279 11.268 o 16 4 6 71.767 62.126 9.406 98.023 o 16 4 7 190.201 184.543 9.406 41.655 o 16 4 8 107.593 103.930 11.519 58.086 o 16 4 9 8.851 11.519 9.406 122.920 o 16 4 10 43.784 39.389 12.425 66.999 o 16 4 11 35.850 48.795 19.695 27.622 o 16 4 12 107.294 113.336 10.614 63.832 o 16 6 0 26.482 31.818 7.269 192.601 o 16 6 1 65.894 54.857 9.406 101.732 o 16 6 2 83.136 83.632 9.406 89.232 o 16 6 3 10.749 11.821 5.760 323.636 o 16 6 4 69.780 76.966 9.104 100.814 o 16 6 5 417.607 420.296 18.487 9.103 o 16 6 6 6.140 9.987 12.123 74.246 o 16 6 7 5.805 15.746 11.217 86.599 o 16 6 8 10.986 13.029 7.269 204.300 o 17 1 0 101.112 107.577 6.062 122.752 o 17 1 1 167.082 137.885 9.708 50.681 o 17 1 2 2375.420 2359.690 57.876 0.354 o 17 1 3 564.136 491.201 18.487 6.172 o 17 1 4 142.456 148.475 9.708 55.599 o 17 1 5 523.460 551.817 16.373 6.580 o 17 1 6 162.505 173.325 10.614 44.078 o 17 1 7 125.078 124.856 11.519 52.218 o 17 1 8 118.311 119.700 10.614 60.114 o 17 1 9 121.210 116.355 12.123 50.347 o 17 1 10 29.543 20.600 8.175 155.524 o 17 1 11 143.809 146.965 12.123 43.743 o 17 1 12 629.345 698.783 18.185 4.519 o 17 1 13 44.928 46.356 13.633 55.786 o 17 3 0 40.617 31.516 6.062 250.321 o 17 3 1 292.407 269.986 13.029 19.245 o 17 3 2 1502.970 1450.890 40.922 0.874 o 17 3 3 428.904 389.384 19.695 8.847 o 17 3 4 209.084 184.845 9.406 38.134 o 17 3 5 50.993 34.837 7.873 151.435 o 17 3 6 19.902 26.360 9.987 107.055 o 17 3 7 28.403 31.818 8.779 134.384 o 17 3 8 20.646 19.393 9.104 128.779 o 17 3 9 28.240 24.850 10.614 94.036 o 17 3 10 35.768 38.785 11.821 74.685 o 17 3 11 165.602 163.943 13.935 33.348 o 17 3 12 651.564 709.675 28.799 3.599 o 17 5 0 64.220 58.782 7.269 151.943 o 17 5 1 80.972 72.740 6.665 146.839 o 17 5 2 25.556 27.266 6.967 210.668 o 17 5 3 184.545 156.673 12.123 36.728 o 17 5 4 165.855 169.702 10.289 45.008 o 17 5 5 177.479 161.527 11.821 38.338 o 17 5 6 244.482 223.630 13.633 23.630 o 17 5 7 151.722 169.099 12.123 40.687 o 17 5 8 3.369 5.458 9.406 123.453 o 17 5 9 0.125 6.364 8.477 152.083 o 17 7 0 13.619 8.175 12.123 74.038 o 17 7 1 69.621 69.395 10.916 76.515 o 17 7 2 13.955 6.967 10.916 91.244 o 17 7 3 13.664 13.331 14.539 51.501 o 18 0 0 327.059 279.694 7.873 20.346 o 18 0 2 598.853 581.220 20.902 5.057 o 18 0 4 6041.320 6302.070 114.242 0.055 o 18 0 6 913.048 861.216 19.393 2.535 o 18 0 8 109.505 106.973 8.779 80.983 o 18 0 10 52.709 63.334 7.571 150.073 o 18 0 12 142.425 136.979 17.883 26.229 o 18 2 0 23.117 24.548 8.175 157.156 o 18 2 1 1863.440 1848.770 47.262 0.570 o 18 2 2 18.998 23.945 8.175 158.615 o 18 2 3 75.619 53.951 7.571 136.188 o 18 2 4 519.121 512.428 26.662 5.408 o 18 2 5 61.114 58.178 11.217 76.144 o 18 2 6 21.875 19.091 8.477 147.709 o 18 2 7 84.697 85.467 10.916 70.733 o 18 2 8 1.668 4.552 7.571 190.598 o 18 2 9 36.493 24.247 9.406 116.765 o 18 2 10 14.981 13.633 8.477 149.972 o 18 2 11 337.379 341.216 16.977 12.848 o 18 2 12 16.414 21.529 15.444 45.525 o 18 4 0 267.352 232.432 9.104 27.082 o 18 4 1 22.297 20.298 6.967 215.032 o 18 4 2 29.378 18.487 11.217 84.691 o 18 4 3 192.265 198.176 13.029 30.809 o 18 4 4 1086.970 1124.230 37.879 1.484 o 18 4 5 39.454 27.568 8.477 140.086 o 18 4 6 40.232 46.356 7.873 154.512 o 18 4 7 17.572 27.870 10.289 101.208 o 18 4 8 28.930 41.224 10.289 98.307 o 18 4 9 28.329 24.548 9.104 126.416 o 18 4 10 13.360 23.945 9.987 108.099 o 18 6 0 18.162 15.444 5.760 315.640 o 18 6 1 33.535 26.964 9.104 124.649 o 18 6 2 18.231 16.373 8.779 139.103 o 18 6 3 22.621 20.298 11.217 85.292 o 18 6 4 413.702 462.426 20.600 8.212 o 18 6 5 77.148 76.061 14.237 47.201 o 18 6 6 10.431 12.425 11.217 86.464 o 19 1 0 106.064 98.774 5.156 137.909 o 19 1 1 1635.860 1599.090 44.545 0.733 o 19 1 2 195.214 158.183 11.519 36.839 o 19 1 3 79.371 95.453 9.406 88.381 o 19 1 4 93.723 106.369 8.175 95.991 o 19 1 5 43.129 41.828 9.104 119.053 o 19 1 6 40.409 36.974 10.614 90.941 o 19 1 7 43.578 45.149 7.873 152.838 o 19 1 8 15.360 20.600 6.967 218.731 o 19 1 9 38.896 41.224 10.614 90.821 o 19 1 10 177.295 182.104 15.143 28.300 o 19 1 11 873.041 962.708 26.964 2.313 o 19 1 12 12.441 9.708 13.633 58.616 o 19 3 0 390.705 357.868 16.373 11.206 o 19 3 1 390.898 393.030 19.091 9.789 o 19 3 2 68.945 58.782 13.029 57.285 o 19 3 3 0.122 -2.113 6.967 225.200 o 19 3 4 34.003 29.983 6.665 220.131 o 19 3 5 132.977 133.031 7.873 73.489 o 19 3 6 172.356 183.033 10.289 42.427 o 19 3 7 14.523 18.487 10.289 102.089 o 19 3 8 6.767 14.237 11.519 82.125 o 19 3 9 37.460 39.691 9.104 121.410 o 19 3 10 130.522 147.871 9.708 58.969 o 19 5 0 167.192 123.950 15.746 30.162 o 19 5 1 258.465 218.474 17.279 18.424 o 19 5 2 103.904 93.038 8.477 90.204 o 19 5 3 46.790 40.295 7.873 152.353 o 19 5 4 91.285 84.840 11.519 63.680 o 19 5 5 16.223 13.633 11.519 81.672 o 19 5 6 24.948 37.578 9.987 105.216 o 19 5 7 12.883 8.477 9.708 115.219 o 20 0 0 1720.760 1770.900 51.210 0.627 o 20 0 2 39.879 41.526 8.175 146.055 o 20 0 4 21.298 12.727 7.571 185.318 o 20 0 6 53.582 59.084 9.987 95.231 o 20 0 8 20.162 22.412 9.987 107.308 o 20 0 10 311.694 285.454 13.331 17.409 o 20 2 0 207.790 208.789 10.289 34.340 o 20 2 1 110.618 100.609 6.364 112.753 o 20 2 2 82.522 92.434 9.406 87.732 o 20 2 3 481.140 492.734 24.850 6.171 o 20 2 4 6.535 1.812 8.779 141.627 o 20 2 5 102.993 90.901 9.708 76.831 o 20 2 6 0.839 4.552 6.364 269.825 o 20 2 7 30.066 36.370 10.289 98.551 o 20 2 8 20.233 19.393 6.364 257.545 o 20 2 9 34.881 45.149 10.289 96.702 o 20 2 10 18.939 21.204 10.916 90.310 o 20 4 0 502.319 474.549 25.756 5.890 o 20 4 1 20.147 22.412 8.779 138.011 o 20 4 2 70.880 69.697 9.104 101.925 o 20 4 3 777.866 807.869 33.954 2.604 o 20 4 4 89.230 94.849 11.519 63.041 o 20 4 5 80.014 74.226 10.614 76.684 o 20 4 6 94.769 79.080 9.708 81.843 o 20 4 7 2.886 10.916 8.779 141.571 o 20 4 8 22.506 13.331 16.071 42.023 o 20 6 0 20.756 35.766 10.916 89.312 o 20 6 1 16.622 18.487 11.821 77.422 o 20 6 2 46.331 45.752 14.539 49.285 o 20 6 3 84.432 64.843 12.425 59.364 o 21 1 0 167.267 165.452 11.821 39.608 o 21 1 1 95.591 97.590 6.062 132.999 o 21 1 2 56.789 65.447 7.873 137.587 o 21 1 3 8.200 18.185 6.364 265.689 o 21 1 4 49.654 59.989 8.477 127.577 o 21 1 5 110.623 125.761 7.571 88.909 o 21 1 6 0.705 1.812 6.364 269.929 o 21 1 7 59.894 84.236 15.143 43.385 o 21 1 8 67.142 73.343 14.539 46.546 o 21 1 9 99.472 105.161 14.539 41.761 o 21 1 10 387.612 436.066 17.279 9.953 o 21 3 0 519.952 475.153 17.279 7.054 o 21 3 1 71.161 64.239 7.571 135.667 o 21 3 2 114.570 128.479 8.779 74.480 o 21 3 3 114.277 123.950 8.175 81.242 o 21 3 4 11.878 12.727 7.873 174.324 o 21 3 5 11.924 14.237 12.123 73.984 o 21 3 6 20.216 14.841 10.289 101.677 o 21 3 7 44.007 54.230 10.614 88.392 o 21 3 8 96.902 98.171 13.633 47.056 o 21 5 0 188.755 168.797 20.298 19.022 o 21 5 1 21.198 28.497 19.393 28.859 o 21 5 2 22.692 25.454 6.364 252.885 o 21 5 3 23.834 30.912 7.269 194.494 o 21 5 4 35.681 49.097 7.873 156.407 o 22 0 0 200.099 222.120 7.269 41.418 o 22 0 2 32.295 25.454 9.987 104.965 o 22 0 4 44.605 58.782 10.916 83.396 o 22 0 6 60.239 66.957 13.331 55.532 o 22 0 8 32.712 40.295 12.727 65.045 o 22 2 0 49.703 56.064 7.269 165.594 o 22 2 1 61.619 59.989 7.571 144.561 o 22 2 2 241.417 260.604 17.279 18.225 o 22 2 3 27.218 21.204 9.104 127.115 o 22 2 4 100.377 83.028 10.289 73.003 o 22 2 5 14.491 5.156 7.571 188.621 o 22 2 6 6.144 14.539 10.289 102.896 o 22 2 7 63.698 75.759 12.123 64.508 o 22 2 8 7.142 8.477 9.406 123.173 o 22 4 0 11.515 12.727 6.665 242.263 o 22 4 1 60.557 73.924 12.123 65.186 o 22 4 2 27.326 22.412 7.873 167.611 o 22 4 3 2.452 5.458 8.175 163.435 o 22 4 4 17.747 25.152 9.708 113.584 o 22 4 5 10.513 4.854 12.727 67.340 o 23 1 0 200.039 193.647 9.406 38.957 o 23 1 1 33.600 39.087 5.760 277.947 o 23 1 2 42.976 40.295 6.967 191.015 o 23 1 3 35.206 48.493 12.425 67.445 o 23 1 4 34.915 36.370 12.123 71.396 o 23 1 5 18.175 24.548 8.175 158.776 o 23 1 6 91.983 111.827 9.708 77.023 o 23 1 7 188.604 205.468 12.123 32.925 o 23 3 0 99.549 89.392 9.987 75.344 o 23 3 1 107.221 122.115 12.123 52.378 o 23 3 2 45.477 57.876 9.708 102.826 o 23 3 3 38.351 37.578 6.364 229.603 o 23 3 4 11.137 32.120 11.217 85.780 o 23 3 5 4.368 6.967 8.779 141.602 o 23 3 6 101.505 120.606 9.104 78.104 o 23 5 0 2.133 2.415 10.289 103.253 o 23 5 1 34.094 32.724 12.123 71.675 o 24 0 0 8.513 7.873 5.458 362.891 o 24 0 2 25.707 28.799 9.708 111.838 o 24 0 4 16.506 8.477 10.614 96.245 o 24 0 6 72.944 74.853 9.708 90.496 o 24 2 0 24.564 24.247 10.614 94.582 o 24 2 1 106.417 110.596 9.987 69.742 o 24 2 2 16.969 26.662 8.477 148.010 o 24 2 3 154.290 129.408 10.614 50.329 o 24 2 4 8.208 2.717 9.406 123.288 o 24 2 5 108.440 112.732 10.916 61.289 o 24 4 0 53.231 36.370 10.289 93.459 o 24 4 1 68.209 95.755 16.373 36.751 o 24 4 2 40.575 53.649 10.916 84.710 o 25 1 0 19.338 25.152 7.571 183.598 o 25 1 1 50.071 62.730 6.665 185.644 o 25 1 2 19.610 15.444 10.289 101.712 o 25 1 3 9.041 18.185 10.289 102.582 o 25 1 4 34.875 57.574 10.289 95.320 o 25 1 5 98.801 114.242 9.987 71.574 o 25 3 0 10.289 7.571 12.425 70.614 o 25 3 1 50.225 60.616 9.708 100.865 o 25 3 2 3.323 7.269 11.217 86.806 o 26 0 0 215.303 249.386 15.746 21.865 o 26 0 2 174.834 103.326 10.289 50.215 o 26 2 0 3.399 3.948 12.425 70.783 o 26 2 1 43.028 66.353 10.289 92.243 o 26 2 2 11.488 17.581 9.987 108.639 o 27 1 0 56.262 58.480 10.916 80.926 o 27 1 1 19.275 18.185 13.029 63.741 o