#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2215245.hkl $ #------------------------------------------------------------------------------ # # 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_2215245_Fobs loop_ _publ_author_name 'Begum, Noor Shahina' 'Vasundhara, D. E.' _publ_section_title ; Ethyl 3-acetyl-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ; _journal_coeditor_code PV2022 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3741 _journal_page_last o3742 _journal_volume 63 _journal_year 2007 _chemical_formula_sum 'C17 H20 N2 O5' _chemical_formula_weight 332.35 _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 107.839 _cell_angle_gamma 90.000 _cell_formula_units_Z 4 _cell_length_a 8.8387 _cell_length_b 20.2043 _cell_length_c 10.0232 _cell_measurement_reflns_used 15 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 8.02 _cell_measurement_theta_min 6.9 _cell_volume 1703.9(3) _computing_cell_refinement SMART(Bruker,1998) _computing_data_collection SMART(Bruker,1998) _computing_data_reduction 'SAINT (Bruker,1998)' _computing_molecular_graphics ORTEP _computing_publication_material 'Manually edited SHELXL cif' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker SMART CCD area detector' _diffrn_measurement_method \w/2\q _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0452 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 17507 _diffrn_reflns_theta_full 25.99 _diffrn_reflns_theta_max 25.99 _diffrn_reflns_theta_min 2.02 _exptl_absorpt_coefficient_mu 0.096 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_correction_T_min 1.0000 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.296 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description rectangular _exptl_crystal_F_000 704.00 _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.204 _refine_diff_density_min -0.17 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.097 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 286 _refine_ls_number_reflns 3343 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.097 _refine_ls_R_factor_gt 0.0581 _refine_ls_shift/su_max 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0393P)^2^+0.4822P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.1213 _reflns_d_resolution_high 0.8109 _reflns_number_gt 2369 _reflns_number_total 3343 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file pv2022Isup2.hkl _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M P21/c #BEGIN Tags that were not found in dictionaries: _shelx_title ' v13nsb_m in P 21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 182.65 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group _atom_site_disorder_assembly C1 C 0.1807(3) 0.62671(14) -0.4147(3) 0.0578(7) Uani 1 d . . . H1 H 0.258(3) 0.5977(12) -0.434(2) 0.064(7) Uiso 1 d . . . C2 C 0.0648(3) 0.65191(14) -0.5284(3) 0.0610(7) Uani 1 d . . . H2 H 0.062(3) 0.6393(12) -0.620(3) 0.067(8) Uiso 1 d . . . C3 C -0.0503(3) 0.69434(11) -0.5095(2) 0.0467(6) Uani 1 d . . . C4 C -0.0447(3) 0.71195(11) -0.3757(3) 0.0468(6) Uani 1 d . . . H4 H -0.122(3) 0.7428(12) -0.358(2) 0.063(7) Uiso 1 d . . . C5 C 0.0738(3) 0.68632(11) -0.2623(3) 0.0440(6) Uani 1 d . . . H5 H 0.070(2) 0.6976(10) -0.169(2) 0.046(6) Uiso 1 d . . . C6 C 0.1872(2) 0.64294(10) -0.2785(2) 0.0392(5) Uani 1 d . . . C7 C 0.3185(3) 0.61621(11) -0.1535(2) 0.0397(5) Uani 1 d . . . H7 H 0.409(2) 0.6440(10) -0.140(2) 0.041(6) Uiso 1 d . . . C8 C 0.3650(2) 0.54550(10) -0.1719(2) 0.0381(5) Uani 1 d . . . C9 C 0.2724(2) 0.49805(11) -0.1439(2) 0.0399(5) Uani 1 d . . . C10 C 0.1584(3) 0.57494(10) -0.0123(2) 0.0407(5) Uani 1 d . . . C11 C -0.2841(4) 0.75841(19) -0.6132(4) 0.0755(9) Uani 1 d . . . H11A H -0.228(4) 0.8003(16) -0.564(3) 0.097(11) Uiso 1 d . . . H11B H -0.348(4) 0.7666(15) -0.709(3) 0.089(10) Uiso 1 d . . . H11C H -0.340(4) 0.7379(17) -0.553(4) 0.113(13) Uiso 1 d . . . C12 C 0.7234(4) 0.5743(2) -0.2778(4) 0.0732(9) Uani 1 d . . . H12A H 0.787(4) 0.6143(18) -0.245(3) 0.110(12) Uiso 1 d . . . H12B H 0.785(5) 0.533(2) -0.233(4) 0.135(15) Uiso 1 d . . . C13 C 0.6866(5) 0.5672(2) -0.4278(4) 0.1348(18) Uani 1 d . . . H13A H 0.6245 0.5278 -0.4578 0.202 Uiso 1 calc R . . H13B H 0.7835 0.564 -0.4518 0.202 Uiso 1 calc R . . H13C H 0.6272 0.605 -0.4735 0.202 Uiso 1 calc R . . C14 C 0.5045(3) 0.52967(12) -0.2155(2) 0.0438(5) Uani 1 d . . . C15 C 0.2798(4) 0.42479(13) -0.1633(4) 0.0560(7) Uani 1 d . . . H15A H 0.297(4) 0.4137(17) -0.246(4) 0.113(13) Uiso 1 d . . . H15B H 0.189(4) 0.4038(15) -0.162(3) 0.094(11) Uiso 1 d . . . H15C H 0.353(5) 0.4051(18) -0.088(4) 0.130(15) Uiso 1 d . . . C16 C 0.3369(3) 0.67056(11) 0.0735(2) 0.0471(6) Uani 1 d . . . C17 C 0.3006(4) 0.67190(17) 0.2084(3) 0.0591(7) Uani 1 d . . . H17A H 0.191(4) 0.6850(15) 0.193(3) 0.098(11) Uiso 1 d . . . H17B H 0.308(4) 0.6307(17) 0.251(3) 0.094(11) Uiso 1 d . . . H17C H 0.361(3) 0.7043(15) 0.268(3) 0.084(10) Uiso 1 d . . . O1 O -0.1630(2) 0.71530(9) -0.62888(17) 0.0611(5) Uani 1 d . . . O2 O 0.57984(19) 0.58430(8) -0.2372(2) 0.0627(5) Uani 1 d . . . O3 O 0.5508(2) 0.47512(9) -0.2308(2) 0.0711(6) Uani 1 d . . . O4 O 0.06853(18) 0.58291(8) 0.05764(17) 0.0536(4) Uani 1 d . . . O5 O 0.4247(2) 0.71030(9) 0.04514(19) 0.0704(6) Uani 1 d . . . N1 N 0.1531(2) 0.51820(9) -0.0891(2) 0.0438(5) Uani 1 d . . . H1N H 0.089(3) 0.4869(12) -0.074(2) 0.059(7) Uiso 1 d . . . N2 N 0.2716(2) 0.62013(8) -0.02432(18) 0.0388(4) Uani 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.0586(16) 0.0689(18) 0.0530(16) 0.0014(13) 0.0274(14) 0.0169(14) C2 0.0663(17) 0.080(2) 0.0411(15) 0.0033(14) 0.0236(14) 0.0147(15) C3 0.0484(14) 0.0458(13) 0.0492(14) 0.0091(11) 0.0200(12) 0.0001(11) C4 0.0495(14) 0.0383(13) 0.0563(16) 0.0014(11) 0.0218(13) 0.0046(11) C5 0.0484(14) 0.0408(13) 0.0459(14) -0.0020(11) 0.0190(12) 0.0027(11) C6 0.0405(12) 0.0353(12) 0.0453(13) 0.0023(10) 0.0182(10) -0.0049(10) C7 0.0378(12) 0.0381(12) 0.0475(14) -0.0030(10) 0.0195(11) -0.0060(10) C8 0.0357(12) 0.0391(12) 0.0406(12) -0.0006(10) 0.0134(10) 0.0013(9) C9 0.0364(12) 0.0409(12) 0.0417(13) -0.0016(10) 0.0108(10) -0.0002(10) C10 0.0385(12) 0.0392(13) 0.0461(13) 0.0017(10) 0.0155(11) 0.0007(10) C11 0.066(2) 0.081(2) 0.074(2) 0.016(2) 0.0129(19) 0.0226(18) C12 0.0596(18) 0.082(2) 0.095(2) -0.017(2) 0.0481(18) -0.0158(18) C13 0.137(4) 0.194(5) 0.097(3) -0.032(3) 0.070(3) -0.079(3) C14 0.0412(13) 0.0463(14) 0.0452(14) 0.0006(11) 0.0150(11) 0.0026(11) C15 0.0632(18) 0.0417(15) 0.069(2) -0.0047(14) 0.0292(17) -0.0047(14) C16 0.0428(13) 0.0403(13) 0.0579(15) -0.0052(11) 0.0152(12) 0.0024(11) C17 0.068(2) 0.0549(18) 0.0590(18) -0.0141(15) 0.0254(16) -0.0015(15) O1 0.0598(11) 0.0713(12) 0.0508(10) 0.0134(9) 0.0147(9) 0.0136(9) O2 0.0525(10) 0.0545(10) 0.0973(14) -0.0080(10) 0.0468(10) -0.0090(8) O3 0.0733(13) 0.0509(11) 0.1076(16) 0.0059(10) 0.0551(12) 0.0149(9) O4 0.0513(10) 0.0548(10) 0.0666(11) -0.0072(8) 0.0357(9) -0.0061(8) O5 0.0779(13) 0.0593(11) 0.0818(13) -0.0210(10) 0.0360(11) -0.0300(10) N1 0.0406(11) 0.0401(11) 0.0563(12) -0.0038(9) 0.0231(10) -0.0084(9) N2 0.0385(10) 0.0369(10) 0.0445(11) -0.0042(8) 0.0178(8) -0.0051(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 C1 C6 121.6(2) . . ? C2 C1 H1 117.0(14) . . ? C6 C1 H1 121.4(15) . . ? C1 C2 C3 120.5(2) . . ? C1 C2 H2 119.7(15) . . ? C3 C2 H2 119.8(15) . . ? O1 C3 C4 124.9(2) . . ? O1 C3 C2 116.1(2) . . ? C4 C3 C2 119.0(2) . . ? C3 C4 C5 119.7(2) . . ? C3 C4 H4 121.8(14) . . ? C5 C4 H4 118.5(14) . . ? C6 C5 C4 122.3(2) . . ? C6 C5 H5 120.1(13) . . ? C4 C5 H5 117.5(13) . . ? C5 C6 C1 117.0(2) . . ? C5 C6 C7 121.8(2) . . ? C1 C6 C7 121.2(2) . . ? N2 C7 C8 108.50(17) . . ? N2 C7 C6 110.76(17) . . ? C8 C7 C6 113.64(18) . . ? N2 C7 H7 107.0(12) . . ? C8 C7 H7 109.2(12) . . ? C6 C7 H7 107.5(12) . . ? C9 C8 C14 121.9(2) . . ? C9 C8 C7 116.22(19) . . ? C14 C8 C7 121.85(19) . . ? C8 C9 N1 117.23(19) . . ? C8 C9 C15 128.6(2) . . ? N1 C9 C15 114.2(2) . . ? O4 C10 N1 121.0(2) . . ? O4 C10 N2 125.2(2) . . ? N1 C10 N2 113.75(19) . . ? O1 C11 H11A 106.9(18) . . ? O1 C11 H11B 103.1(18) . . ? H11A C11 H11B 112(3) . . ? O1 C11 H11C 110(2) . . ? H11A C11 H11C 108(3) . . ? H11B C11 H11C 115(3) . . ? C13 C12 O2 111.5(3) . . ? C13 C12 H12A 110.8(19) . . ? O2 C12 H12A 104.3(19) . . ? C13 C12 H12B 107(2) . . ? O2 C12 H12B 113(2) . . ? H12A C12 H12B 111(3) . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? O3 C14 O2 121.9(2) . . ? O3 C14 C8 126.1(2) . . ? O2 C14 C8 111.97(19) . . ? C9 C15 H15A 113(2) . . ? C9 C15 H15B 112.7(19) . . ? H15A C15 H15B 107(3) . . ? C9 C15 H15C 112(2) . . ? H15A C15 H15C 111(3) . . ? H15B C15 H15C 101(3) . . ? O5 C16 N2 118.2(2) . . ? O5 C16 C17 122.4(2) . . ? N2 C16 C17 119.4(2) . . ? C16 C17 H17A 110.3(18) . . ? C16 C17 H17B 113.6(19) . . ? H17A C17 H17B 104(3) . . ? C16 C17 H17C 110.7(17) . . ? H17A C17 H17C 105(2) . . ? H17B C17 H17C 113(3) . . ? C3 O1 C11 117.6(2) . . ? C14 O2 C12 116.6(2) . . ? C10 N1 C9 124.47(19) . . ? C10 N1 H1N 114.2(15) . . ? C9 N1 H1N 117.2(15) . . ? C10 N2 C16 124.65(18) . . ? C10 N2 C7 116.39(17) . . ? C16 N2 C7 118.87(17) . . ? 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 C1 C2 1.375(4) . ? C1 C6 1.387(3) . ? C1 H1 0.96(2) . ? C2 C3 1.387(3) . ? C2 H2 0.95(3) . ? C3 O1 1.369(3) . ? C3 C4 1.374(3) . ? C4 C5 1.389(3) . ? C4 H4 0.98(2) . ? C5 C6 1.378(3) . ? C5 H5 0.97(2) . ? C6 C7 1.523(3) . ? C7 N2 1.478(3) . ? C7 C8 1.513(3) . ? C7 H7 0.95(2) . ? C8 C9 1.345(3) . ? C8 C14 1.464(3) . ? C9 N1 1.391(3) . ? C9 C15 1.497(3) . ? C10 O4 1.221(2) . ? C10 N1 1.373(3) . ? C10 N2 1.387(3) . ? C11 O1 1.426(3) . ? C11 H11A 1.02(3) . ? C11 H11B 0.97(3) . ? C11 H11C 0.98(4) . ? C12 C13 1.444(5) . ? C12 O2 1.460(3) . ? C12 H12A 0.98(4) . ? C12 H12B 1.02(4) . ? C13 H13A 0.96 . ? C13 H13B 0.96 . ? C13 H13C 0.96 . ? C14 O3 1.201(3) . ? C14 O2 1.341(3) . ? C15 H15A 0.91(4) . ? C15 H15B 0.91(3) . ? C15 H15C 0.92(4) . ? C16 O5 1.210(3) . ? C16 N2 1.409(3) . ? C16 C17 1.483(4) . ? C17 H17A 0.97(3) . ? C17 H17B 0.93(3) . ? C17 H17C 0.94(3) . ? N1 H1N 0.89(3) . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA C17 H17B O3 3_665 0.92 2.51 3.228(4) 133 C15 H15B O4 3_565 0.91 2.79 3.553(4) 141 N1 H1N O4 3_565 0.89 2.02 2.913(3) 174 C4 H4 O1 4_576 0.97 2.57 3.310(3) 132 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 C6 C1 C2 C3 -0.4(4) . . . . ? C1 C2 C3 O1 -178.3(2) . . . . ? C1 C2 C3 C4 1.4(4) . . . . ? O1 C3 C4 C5 178.6(2) . . . . ? C2 C3 C4 C5 -1.0(3) . . . . ? C3 C4 C5 C6 -0.4(3) . . . . ? C4 C5 C6 C1 1.4(3) . . . . ? C4 C5 C6 C7 178.8(2) . . . . ? C2 C1 C6 C5 -1.0(4) . . . . ? C2 C1 C6 C7 -178.4(2) . . . . ? C5 C6 C7 N2 22.6(3) . . . . ? C1 C6 C7 N2 -160.2(2) . . . . ? C5 C6 C7 C8 145.0(2) . . . . ? C1 C6 C7 C8 -37.7(3) . . . . ? N2 C7 C8 C9 41.5(3) . . . . ? C6 C7 C8 C9 -82.2(2) . . . . ? N2 C7 C8 C14 -137.50(19) . . . . ? C6 C7 C8 C14 98.8(2) . . . . ? C14 C8 C9 N1 173.31(19) . . . . ? C7 C8 C9 N1 -5.7(3) . . . . ? C14 C8 C9 C15 -6.4(4) . . . . ? C7 C8 C9 C15 174.6(2) . . . . ? C9 C8 C14 O3 0.0(4) . . . . ? C7 C8 C14 O3 178.9(2) . . . . ? C9 C8 C14 O2 -179.7(2) . . . . ? C7 C8 C14 O2 -0.8(3) . . . . ? C4 C3 O1 C11 -0.3(4) . . . . ? C2 C3 O1 C11 179.4(3) . . . . ? O3 C14 O2 C12 -1.2(4) . . . . ? C8 C14 O2 C12 178.5(2) . . . . ? C13 C12 O2 C14 87.1(4) . . . . ? O4 C10 N1 C9 -164.1(2) . . . . ? N2 C10 N1 C9 16.4(3) . . . . ? C8 C9 N1 C10 -26.6(3) . . . . ? C15 C9 N1 C10 153.2(2) . . . . ? O4 C10 N2 C16 22.0(3) . . . . ? N1 C10 N2 C16 -158.49(19) . . . . ? O4 C10 N2 C7 -154.6(2) . . . . ? N1 C10 N2 C7 24.9(3) . . . . ? O5 C16 N2 C10 -173.8(2) . . . . ? C17 C16 N2 C10 8.2(3) . . . . ? O5 C16 N2 C7 2.7(3) . . . . ? C17 C16 N2 C7 -175.3(2) . . . . ? C8 C7 N2 C10 -52.1(2) . . . . ? C6 C7 N2 C10 73.3(2) . . . . ? C8 C7 N2 C16 131.08(19) . . . . ? C6 C7 N2 C16 -103.5(2) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 20.81 22.22 1.84 o 2 0 0 4915.34 4443.40 30.91 o 3 0 0 493.22 465.75 12.11 o 4 0 0 1.50 4.29 2.29 o 5 0 0 697.98 651.64 18.50 o 6 0 0 0.90 7.72 3.07 o 7 0 0 175.53 170.28 10.51 o 8 0 0 507.05 519.52 24.74 o 9 0 0 570.08 626.76 34.99 o 10 0 0 47.57 74.35 18.21 o 1 1 0 2096.10 2099.09 14.13 o 2 1 0 115.12 113.05 3.44 o 3 1 0 620.68 605.48 9.75 o 4 1 0 29.36 23.18 2.23 o 5 1 0 11.70 18.85 2.43 o 6 1 0 0.85 4.44 2.41 o 7 1 0 12.97 11.81 3.20 o 8 1 0 116.26 128.71 9.55 o 9 1 0 58.06 56.70 7.31 o 10 1 0 7.03 3.60 8.64 o 0 2 0 1225.45 1272.36 14.05 o 1 2 0 6626.10 6592.45 23.04 o 2 2 0 323.82 304.99 5.65 o 3 2 0 946.71 906.71 11.04 o 4 2 0 135.48 130.64 4.79 o 5 2 0 141.36 134.15 5.67 o 6 2 0 4.33 5.16 2.07 o 7 2 0 58.49 55.57 4.95 o 8 2 0 176.26 194.78 10.74 o 9 2 0 15.50 15.76 5.49 o 10 2 0 0.40 9.26 6.76 o 1 3 0 3489.67 3582.33 15.79 o 2 3 0 9783.58 10048.78 34.93 o 3 3 0 122.83 123.89 4.30 o 4 3 0 342.58 390.33 8.82 o 5 3 0 279.13 280.07 8.31 o 6 3 0 119.55 120.44 5.97 o 7 3 0 382.07 386.61 13.98 o 8 3 0 13.49 18.55 4.54 o 9 3 0 30.70 43.97 8.80 o 10 3 0 40.44 53.76 9.41 o 0 4 0 128.97 126.66 4.60 o 1 4 0 907.27 902.95 8.52 o 2 4 0 2297.04 2242.47 15.43 o 3 4 0 1117.45 1054.41 12.51 o 4 4 0 2.73 4.11 1.55 o 5 4 0 0.12 0.00 1.57 o 6 4 0 6.20 8.64 2.39 o 7 4 0 52.09 49.84 5.41 o 8 4 0 189.92 188.96 10.34 o 9 4 0 11.41 5.04 5.78 o 10 4 0 16.47 0.00 25.77 o 1 5 0 13650.41 13803.11 67.28 o 2 5 0 106.00 84.96 3.22 o 3 5 0 2479.64 2577.05 19.78 o 4 5 0 1266.87 1201.93 15.42 o 5 5 0 128.63 128.22 5.43 o 6 5 0 78.12 85.52 7.76 o 7 5 0 67.12 77.84 6.37 o 8 5 0 37.83 44.43 5.77 o 9 5 0 93.07 95.03 10.26 o 10 5 0 2.43 20.55 9.79 o 0 6 0 296.35 312.39 10.17 o 1 6 0 219.20 195.98 4.91 o 2 6 0 602.30 532.76 8.18 o 3 6 0 315.45 292.28 6.98 o 4 6 0 38.26 47.40 2.94 o 5 6 0 7.40 13.61 2.04 o 6 6 0 115.22 117.55 6.91 o 7 6 0 159.36 152.15 8.80 o 8 6 0 2.17 0.17 4.31 o 9 6 0 5.94 15.45 7.27 o 10 6 0 1.34 0.00 7.31 o 1 7 0 1305.71 1346.69 13.25 o 2 7 0 1300.81 1349.18 13.79 o 3 7 0 1120.04 1149.27 13.70 o 4 7 0 113.23 129.56 5.06 o 5 7 0 79.62 78.71 4.77 o 6 7 0 73.50 72.50 6.95 o 7 7 0 0.06 5.93 3.77 o 8 7 0 17.90 12.69 5.12 o 9 7 0 0.84 0.00 7.60 o 0 8 0 711.28 719.94 14.74 o 1 8 0 130.61 129.01 4.53 o 2 8 0 1646.02 1694.45 16.30 o 3 8 0 472.06 418.71 8.54 o 4 8 0 222.04 225.30 6.68 o 5 8 0 2.15 0.00 2.40 o 6 8 0 69.67 68.00 5.50 o 7 8 0 135.41 108.08 8.61 o 8 8 0 12.12 27.45 5.67 o 9 8 0 0.09 0.00 5.19 o 1 9 0 2259.66 2613.41 21.03 o 2 9 0 201.12 181.75 5.63 o 3 9 0 10.54 13.29 1.89 o 4 9 0 446.83 457.00 11.31 o 5 9 0 9.12 11.71 3.86 o 6 9 0 9.15 10.78 4.17 o 7 9 0 61.60 53.88 8.13 o 8 9 0 80.48 94.97 10.02 o 9 9 0 0.68 0.00 5.43 o 0 10 0 1735.70 1710.47 25.36 o 1 10 0 200.27 203.39 6.26 o 2 10 0 293.84 266.40 7.16 o 3 10 0 0.00 2.09 2.01 o 4 10 0 5.33 7.69 2.82 o 5 10 0 0.16 0.00 2.49 o 6 10 0 160.13 152.28 9.94 o 7 10 0 90.99 73.49 8.47 o 8 10 0 58.82 55.90 7.81 o 9 10 0 11.43 13.54 8.04 o 1 11 0 728.75 739.74 12.43 o 2 11 0 2031.92 2048.34 20.89 o 3 11 0 149.87 148.88 5.65 o 4 11 0 139.04 134.85 7.41 o 5 11 0 65.57 71.97 6.78 o 6 11 0 599.61 616.17 20.99 o 7 11 0 51.31 45.36 7.33 o 8 11 0 24.63 18.35 7.29 o 9 11 0 3.82 14.44 9.66 o 0 12 0 2.07 7.80 3.07 o 1 12 0 21.49 22.22 2.54 o 2 12 0 241.52 232.31 7.37 o 3 12 0 294.15 294.67 9.46 o 4 12 0 10.54 15.32 3.23 o 5 12 0 202.99 200.81 11.37 o 6 12 0 78.37 80.72 8.95 o 7 12 0 57.96 67.36 9.99 o 8 12 0 7.40 0.00 5.31 o 9 12 0 0.08 1.78 6.49 o 1 13 0 36.82 37.90 3.33 o 2 13 0 344.72 325.17 9.05 o 3 13 0 35.77 36.38 3.71 o 4 13 0 230.57 223.53 11.51 o 5 13 0 4.34 8.59 4.60 o 6 13 0 5.89 5.31 5.01 o 7 13 0 59.24 59.48 8.06 o 8 13 0 0.03 3.50 5.63 o 0 14 0 464.60 497.44 16.42 o 1 14 0 486.77 460.08 11.23 o 2 14 0 55.25 64.88 4.85 o 3 14 0 165.06 158.61 7.55 o 4 14 0 1.70 15.49 3.68 o 5 14 0 279.17 253.39 15.64 o 6 14 0 65.09 64.80 7.97 o 7 14 0 89.18 78.85 9.21 o 8 14 0 21.54 4.59 6.31 o 1 15 0 204.71 202.19 7.71 o 2 15 0 374.97 368.11 11.51 o 3 15 0 167.72 162.34 9.92 o 4 15 0 255.71 223.76 12.06 o 5 15 0 0.86 4.06 4.48 o 6 15 0 7.25 1.57 7.37 o 7 15 0 3.88 18.86 5.73 o 8 15 0 0.02 3.06 7.66 o 0 16 0 15.12 21.85 4.39 o 1 16 0 110.90 114.31 6.07 o 2 16 0 719.23 643.03 15.78 o 3 16 0 186.48 192.34 11.02 o 4 16 0 63.68 68.33 8.28 o 5 16 0 80.92 85.42 9.37 o 6 16 0 18.39 17.61 5.44 o 7 16 0 11.52 0.00 6.24 o 1 17 0 0.00 4.34 3.19 o 2 17 0 866.64 826.87 20.25 o 3 17 0 30.14 43.07 8.79 o 4 17 0 241.64 220.08 14.77 o 5 17 0 7.37 8.21 4.72 o 6 17 0 0.01 11.68 5.33 o 7 17 0 30.75 24.46 7.24 o 0 18 0 226.28 231.57 13.22 o 1 18 0 22.54 23.58 3.89 o 2 18 0 353.59 343.16 13.33 o 3 18 0 296.17 276.63 16.45 o 4 18 0 5.89 6.87 5.33 o 5 18 0 6.56 0.00 4.99 o 6 18 0 10.12 13.92 6.13 o 7 18 0 10.18 6.41 7.42 o 1 19 0 93.78 117.12 7.86 o 2 19 0 59.45 67.77 8.41 o 3 19 0 1.97 4.07 4.66 o 4 19 0 17.29 26.02 5.76 o 5 19 0 10.74 20.82 6.49 o 6 19 0 43.40 56.36 8.14 o 0 20 0 315.24 295.18 17.58 o 1 20 0 25.63 28.11 4.97 o 2 20 0 32.42 37.79 6.71 o 3 20 0 17.48 26.16 6.22 o 4 20 0 0.00 0.00 5.98 o 5 20 0 38.46 41.40 7.79 o 6 20 0 16.67 12.53 8.00 o 1 21 0 6.95 20.88 5.57 o 2 21 0 23.05 23.14 6.05 o 3 21 0 0.70 0.00 5.42 o 4 21 0 53.66 71.69 8.73 o 5 21 0 1.80 1.24 8.87 o 0 22 0 39.56 41.27 9.96 o 1 22 0 5.73 2.30 14.89 o 2 22 0 0.27 12.38 7.48 o 3 22 0 11.00 20.76 12.03 o 4 22 0 4.52 11.13 7.02 o 1 23 0 0.89 6.02 12.36 o 2 23 0 15.12 2.07 6.94 o 3 23 0 1.43 13.12 6.20 o 0 24 0 77.36 124.60 21.53 o 1 24 0 24.35 38.37 15.54 o 2 24 0 21.82 33.90 10.03 o -10 1 1 2.03 0.00 16.16 o -9 1 1 81.61 80.79 8.52 o -8 1 1 0.30 3.60 5.10 o -7 1 1 106.08 113.01 6.18 o -6 1 1 119.60 117.50 5.92 o -5 1 1 391.28 383.57 9.88 o -4 1 1 540.45 510.91 10.18 o -3 1 1 1454.60 1494.85 15.05 o -2 1 1 5060.88 4998.47 22.34 o -1 1 1 1774.30 1762.41 12.50 o 0 1 1 8331.96 8260.70 26.71 o 1 1 1 222.38 226.03 4.47 o 2 1 1 265.34 262.51 5.28 o 3 1 1 1313.85 1244.35 13.70 o 4 1 1 25.39 23.10 2.51 o 5 1 1 1623.06 1598.38 18.91 o 6 1 1 52.59 55.55 4.54 o 7 1 1 74.86 67.05 9.44 o 8 1 1 34.32 26.91 6.42 o 9 1 1 8.31 14.78 7.69 o 10 1 1 68.16 69.28 10.44 o -10 2 1 6.38 0.00 10.13 o -9 2 1 0.00 0.00 5.14 o -8 2 1 1.55 0.00 4.42 o -7 2 1 26.92 21.69 3.25 o -6 2 1 58.30 55.12 4.05 o -5 2 1 234.68 214.47 6.82 o -4 2 1 528.98 536.72 10.45 o -3 2 1 50.04 61.61 2.94 o -2 2 1 965.91 1053.21 10.06 o -1 2 1 4990.47 5095.12 24.83 o 0 2 1 4631.19 4554.08 21.47 o 1 2 1 6304.13 6389.59 28.56 o 2 2 1 383.22 353.43 5.97 o 3 2 1 620.04 635.70 9.78 o 4 2 1 765.15 770.76 12.48 o 5 2 1 142.21 131.29 5.64 o 6 2 1 27.11 30.23 3.36 o 7 2 1 68.34 90.47 7.63 o 8 2 1 54.50 49.12 6.21 o 9 2 1 28.34 24.79 6.35 o 10 2 1 4.34 7.09 12.91 o -10 3 1 31.00 32.80 8.42 o -9 3 1 358.68 348.49 18.90 o -8 3 1 77.57 85.81 7.51 o -7 3 1 9.58 11.29 2.68 o -6 3 1 54.74 53.44 3.93 o -5 3 1 270.55 259.23 7.95 o -4 3 1 1776.41 1794.88 17.73 o -3 3 1 327.83 328.53 6.80 o -2 3 1 3952.12 4022.85 19.77 o -1 3 1 7326.65 7567.28 30.93 o 0 3 1 2548.27 2645.70 13.35 o 1 3 1 8897.70 8758.99 35.50 o 2 3 1 29.70 40.14 2.56 o 3 3 1 2224.37 2110.44 17.77 o 4 3 1 445.47 430.55 9.21 o 5 3 1 0.20 2.24 1.81 o 6 3 1 8.60 4.84 3.62 o 7 3 1 120.52 129.52 8.20 o 8 3 1 9.58 6.29 5.54 o 9 3 1 13.00 22.57 5.83 o -10 4 1 21.43 23.03 7.43 o -9 4 1 0.18 0.00 4.47 o -8 4 1 22.09 28.40 4.74 o -7 4 1 24.91 31.54 3.78 o -6 4 1 154.92 154.88 6.61 o -5 4 1 17.63 28.95 2.95 o -4 4 1 60.15 67.07 3.52 o -3 4 1 0.20 4.30 1.82 o -2 4 1 5.35 6.96 1.48 o -1 4 1 3384.68 3507.11 16.92 o 0 4 1 2874.73 2806.64 15.14 o 1 4 1 5507.00 5502.79 25.19 o 2 4 1 3303.45 3267.48 26.21 o 3 4 1 68.57 62.82 3.02 o 4 4 1 392.98 381.65 8.58 o 5 4 1 164.38 150.23 6.76 o 6 4 1 213.35 222.52 10.27 o 7 4 1 117.58 112.18 7.84 o 8 4 1 41.68 41.85 5.98 o 9 4 1 0.05 6.10 7.87 o -10 5 1 50.93 46.25 9.31 o -9 5 1 71.96 80.64 8.76 o -8 5 1 0.18 5.24 3.86 o -7 5 1 350.01 350.03 14.84 o -6 5 1 4.08 5.39 2.28 o -5 5 1 106.02 100.37 4.77 o -4 5 1 20.06 20.34 2.14 o -3 5 1 1275.71 1302.14 13.73 o -2 5 1 2984.45 2924.96 17.82 o -1 5 1 4919.71 5264.31 22.77 o 0 5 1 249.74 254.43 5.18 o 1 5 1 4114.80 4264.91 23.33 o 2 5 1 369.12 371.98 7.27 o 3 5 1 7.17 7.12 1.29 o 4 5 1 106.89 107.17 4.51 o 5 5 1 71.93 75.05 5.72 o 6 5 1 29.57 30.64 4.39 o 7 5 1 14.86 24.07 4.04 o 8 5 1 90.24 83.25 8.18 o 9 5 1 30.67 49.99 7.75 o -10 6 1 5.15 3.82 13.11 o -9 6 1 21.90 23.84 6.38 o -8 6 1 336.76 352.96 22.44 o -7 6 1 0.50 0.73 4.41 o -6 6 1 78.74 86.76 4.88 o -5 6 1 369.25 349.69 9.06 o -4 6 1 386.24 417.06 8.94 o -3 6 1 6104.79 6525.40 32.00 o -2 6 1 4111.12 4155.36 22.75 o -1 6 1 3720.66 3901.85 21.13 o 0 6 1 187.12 191.60 4.85 o 1 6 1 435.30 402.44 6.66 o 2 6 1 33.35 36.38 2.61 o 3 6 1 579.66 620.54 9.00 o 4 6 1 453.41 432.01 8.83 o 5 6 1 21.30 15.25 3.93 o 6 6 1 321.24 287.98 12.02 o 7 6 1 536.21 550.26 17.81 o 8 6 1 38.45 36.86 10.10 o 9 6 1 33.09 26.86 10.32 o -10 7 1 2.75 0.00 18.07 o -9 7 1 15.23 21.24 5.83 o -8 7 1 10.67 9.43 5.07 o -7 7 1 31.64 30.56 4.57 o -6 7 1 77.85 89.39 6.16 o -5 7 1 533.53 507.44 11.03 o -4 7 1 286.67 302.59 7.68 o -3 7 1 202.09 205.86 5.80 o -2 7 1 461.73 499.66 8.33 o -1 7 1 900.86 820.00 10.40 o 0 7 1 21.08 25.68 2.31 o 1 7 1 1015.55 986.06 11.32 o 2 7 1 818.51 754.36 11.69 o 3 7 1 110.58 90.14 3.25 o 4 7 1 34.15 40.51 4.09 o 5 7 1 5.10 10.05 2.96 o 6 7 1 113.27 100.21 7.26 o 7 7 1 26.14 31.76 5.11 o 8 7 1 103.41 101.79 8.11 o 9 7 1 17.23 20.58 6.35 o -10 8 1 13.98 10.37 8.67 o -9 8 1 8.52 7.96 5.78 o -8 8 1 13.02 22.03 5.40 o -7 8 1 299.48 298.32 16.48 o -6 8 1 46.59 45.28 5.14 o -5 8 1 178.15 161.11 6.19 o -4 8 1 242.91 249.32 7.13 o -3 8 1 4385.97 4272.08 27.71 o -2 8 1 2090.98 2114.82 18.18 o -1 8 1 44.50 47.02 2.84 o 0 8 1 13.11 7.45 1.54 o 1 8 1 1507.88 1473.04 14.86 o 2 8 1 222.09 197.76 5.13 o 3 8 1 3.75 4.66 1.84 o 4 8 1 5.99 10.97 2.59 o 5 8 1 380.47 373.79 13.04 o 6 8 1 422.23 408.31 14.64 o 7 8 1 8.42 18.22 4.34 o 8 8 1 103.20 95.98 9.00 o 9 8 1 85.21 84.60 11.96 o -9 9 1 0.32 0.00 9.54 o -8 9 1 11.25 15.70 5.37 o -7 9 1 13.23 18.75 5.34 o -6 9 1 11.88 18.15 3.85 o -5 9 1 0.78 3.66 2.55 o -4 9 1 70.81 80.14 4.08 o -3 9 1 1280.36 1238.39 15.40 o -2 9 1 113.22 147.56 5.12 o -1 9 1 1880.54 1960.74 18.34 o 0 9 1 161.19 186.34 5.68 o 1 9 1 223.62 229.32 6.29 o 2 9 1 17.68 24.15 2.14 o 3 9 1 220.18 201.10 6.98 o 4 9 1 384.54 389.88 12.58 o 5 9 1 279.93 253.11 10.81 o 6 9 1 778.45 793.96 20.78 o 7 9 1 147.17 148.48 10.67 o 8 9 1 9.88 3.94 4.91 o 9 9 1 15.36 17.47 7.98 o -9 10 1 1.63 1.08 5.21 o -8 10 1 79.17 73.28 8.60 o -7 10 1 227.93 220.46 14.85 o -6 10 1 98.13 101.93 9.42 o -5 10 1 88.14 96.86 6.30 o -4 10 1 0.33 3.62 2.84 o -3 10 1 66.70 65.61 3.65 o -2 10 1 1598.55 1605.82 17.65 o -1 10 1 306.96 320.63 7.84 o 0 10 1 219.95 246.26 6.88 o 1 10 1 39.61 32.69 2.78 o 2 10 1 146.18 154.79 5.28 o 3 10 1 179.75 159.75 7.12 o 4 10 1 280.73 287.24 11.11 o 5 10 1 241.77 216.89 10.25 o 6 10 1 475.37 470.35 18.53 o 7 10 1 0.15 0.00 4.19 o 8 10 1 20.87 20.24 6.19 o 9 10 1 15.54 18.70 7.85 o -9 11 1 36.34 42.80 8.22 o -8 11 1 51.09 40.24 7.30 o -7 11 1 18.38 19.18 5.32 o -6 11 1 154.79 140.82 11.48 o -5 11 1 304.65 296.19 15.50 o -4 11 1 411.87 409.27 13.72 o -3 11 1 11.42 6.36 2.06 o -2 11 1 385.05 396.91 9.17 o -1 11 1 1620.22 1563.06 18.13 o 0 11 1 752.42 754.97 12.54 o 1 11 1 60.49 67.03 3.77 o 2 11 1 53.99 50.79 3.26 o 3 11 1 220.60 206.62 9.04 o 4 11 1 132.32 124.25 7.45 o 5 11 1 130.25 135.89 8.44 o 6 11 1 3.29 12.66 4.08 o 7 11 1 11.99 11.53 7.48 o 8 11 1 20.36 20.64 6.51 o 9 11 1 0.55 0.00 8.08 o -9 12 1 3.87 16.71 6.79 o -8 12 1 9.93 17.09 5.58 o -7 12 1 2.93 5.61 6.18 o -6 12 1 3.79 14.46 4.42 o -5 12 1 17.29 14.17 4.44 o -4 12 1 21.71 21.05 3.38 o -3 12 1 1.53 4.95 2.13 o -2 12 1 115.74 110.85 5.08 o -1 12 1 604.73 581.87 11.55 o 0 12 1 10.01 17.74 2.31 o 1 12 1 6.85 10.22 2.20 o 2 12 1 13.50 16.69 2.71 o 3 12 1 2.29 5.64 3.15 o 4 12 1 167.75 165.94 8.86 o 5 12 1 285.38 279.32 13.71 o 6 12 1 3.36 5.91 3.84 o 7 12 1 42.59 47.38 7.03 o 8 12 1 1.49 7.00 5.95 o -9 13 1 80.57 88.50 11.22 o -8 13 1 18.77 16.22 6.32 o -7 13 1 2.49 20.64 5.35 o -6 13 1 13.56 8.37 4.47 o -5 13 1 5.47 9.90 4.19 o -4 13 1 138.91 142.17 8.94 o -3 13 1 132.16 152.36 6.97 o -2 13 1 33.11 37.77 4.12 o -1 13 1 614.71 608.89 12.35 o 0 13 1 85.92 88.50 4.80 o 1 13 1 66.27 70.27 4.28 o 2 13 1 109.19 128.36 6.38 o 3 13 1 342.04 345.72 12.32 o 4 13 1 230.51 235.65 10.77 o 5 13 1 19.97 25.43 4.86 o 6 13 1 43.83 46.77 6.31 o 7 13 1 5.80 0.00 4.85 o 8 13 1 0.41 0.00 5.87 o -8 14 1 5.57 10.70 5.73 o -7 14 1 78.23 94.38 10.14 o -6 14 1 7.17 15.00 5.40 o -5 14 1 94.35 86.75 9.01 o -4 14 1 95.39 105.05 7.95 o -3 14 1 36.27 39.76 4.26 o -2 14 1 323.18 330.49 9.56 o -1 14 1 36.05 43.02 3.61 o 0 14 1 203.69 231.30 7.93 o 1 14 1 5.14 6.76 2.38 o 2 14 1 58.87 63.66 4.75 o 3 14 1 309.28 299.37 11.96 o 4 14 1 132.75 121.10 9.00 o 5 14 1 385.89 359.03 16.28 o 6 14 1 1.71 5.87 5.05 o 7 14 1 1.33 2.25 5.22 o 8 14 1 15.89 12.93 7.46 o -8 15 1 6.83 8.41 8.05 o -7 15 1 10.96 13.90 5.39 o -6 15 1 0.56 0.00 7.21 o -5 15 1 38.31 38.16 6.54 o -4 15 1 15.74 13.60 7.14 o -3 15 1 3.29 5.40 3.66 o -2 15 1 2.52 6.74 2.88 o -1 15 1 389.87 340.52 10.01 o 0 15 1 27.45 39.53 3.66 o 1 15 1 139.06 134.57 6.92 o 2 15 1 20.24 18.08 3.26 o 3 15 1 198.41 197.30 10.01 o 4 15 1 0.04 6.95 4.35 o 5 15 1 11.09 13.22 5.60 o 6 15 1 108.71 111.06 10.97 o 7 15 1 105.17 93.97 10.68 o -8 16 1 8.58 6.57 6.27 o -7 16 1 19.53 10.32 5.74 o -6 16 1 13.89 7.20 5.25 o -5 16 1 70.86 57.27 7.66 o -4 16 1 88.24 89.12 9.06 o -3 16 1 50.41 53.60 6.14 o -2 16 1 287.01 273.95 11.17 o -1 16 1 25.91 36.86 3.92 o 0 16 1 1.41 5.19 2.60 o 1 16 1 17.25 17.39 3.35 o 2 16 1 408.81 402.59 14.06 o 3 16 1 381.25 395.88 16.38 o 4 16 1 63.23 57.73 6.61 o 5 16 1 0.10 10.30 13.22 o 6 16 1 10.36 15.20 8.23 o 7 16 1 1.64 0.00 5.67 o -7 17 1 0.18 0.44 5.85 o -6 17 1 16.01 14.20 6.05 o -5 17 1 306.81 313.96 18.32 o -4 17 1 21.10 18.48 5.50 o -3 17 1 0.11 7.03 4.03 o -2 17 1 25.84 32.89 5.38 o 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