#------------------------------------------------------------------------------ #$Date: 2024-02-05 13:48:57 +0200 (Mon, 05 Feb 2024) $ #$Revision: 289676 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/30/07/2300732.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_2300732 loop_ _publ_author_name 'Kleemiss, Florian' 'Peyerimhoff, Norbert' 'Bodensteiner, Michael' _publ_section_title ; Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2 ; _journal_issue 1 _journal_name_full 'Journal of Applied Crystallography' _journal_page_first 161 _journal_page_last 174 _journal_paper_doi 10.1107/S1600576723010981 _journal_volume 57 _journal_year 2024 _chemical_absolute_configuration unk _chemical_formula_moiety 'C4 H8 Ca O8, 2(H2 O)' _chemical_formula_sum 'C4 H12 Ca O10' _chemical_formula_weight 260.212 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_Int_Tables_number 19 _audit_creation_date 2023-01-23 _audit_creation_method ; Olex2 1.5-dev (compiled Jan 23 2023 09:41:20, GUI svn.r6410) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.1718(4) _cell_length_b 9.5882(3) _cell_length_c 10.5502(4) _cell_measurement_reflns_used 5018 _cell_measurement_temperature 120.02(10) _cell_measurement_theta_max 37.3900 _cell_measurement_theta_min 2.8450 _cell_volume 927.80(6) _computing_cell_refinement 'CrysAlisPro 1.171.39.7c (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.39.7c (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.39.7c (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 1.5-dev (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-dev (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5-dev (Bourhis et al., 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 120.02(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.0756 _diffrn_detector_type Sapphire3 _diffrn_measured_fraction_theta_full 1.0000 _diffrn_measured_fraction_theta_max 1.0000 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w 0.00 110.00 1.00 11.80 -- 37.95 19.00 120.00 110 2 \w 35.00 112.00 1.00 11.80 -- 37.95 178.00 -60.00 77 3 \w 19.00 106.00 1.00 11.80 -- 37.95 57.00 -30.00 87 4 \w 16.00 67.00 1.00 11.80 -- 37.95 38.00-150.00 51 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Sapphire3' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0324559000 _diffrn_orient_matrix_UB_12 0.0602715000 _diffrn_orient_matrix_UB_13 -0.0268452000 _diffrn_orient_matrix_UB_21 -0.0536466000 _diffrn_orient_matrix_UB_22 -0.0423103000 _diffrn_orient_matrix_UB_23 -0.0294264000 _diffrn_orient_matrix_UB_31 -0.0451460000 _diffrn_orient_matrix_UB_32 0.0069405000 _diffrn_orient_matrix_UB_33 0.0542499000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0351 _diffrn_reflns_av_unetI/netI 0.0549 _diffrn_reflns_Laue_measured_fraction_full 1.0000 _diffrn_reflns_Laue_measured_fraction_max 1.0000 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 10505 _diffrn_reflns_point_group_measured_fraction_full 0.9964 _diffrn_reflns_point_group_measured_fraction_max 0.9934 _diffrn_reflns_theta_full 25.2417 _diffrn_reflns_theta_max 34.99 _diffrn_reflns_theta_min 2.87 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.719 _exptl_absorpt_correction_T_max 0.951 _exptl_absorpt_correction_T_min 0.935 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.7c (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_density_diffrn 1.863 _exptl_crystal_F_000 545.460 _exptl_crystal_size_max 0.236 _exptl_crystal_size_mid 0.195 _exptl_crystal_size_min 0.162 _refine_diff_density_max 0.4214 _refine_diff_density_min -0.3695 _refine_diff_density_rms 0.0816 _refine_ls_abs_structure_details 'Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). J. Appl. Cryst., 43, 665-668.' _refine_ls_abs_structure_Flack 0.002(18) _refine_ls_d_res_high 0.6197 _refine_ls_d_res_low 7.0957 _refine_ls_goodness_of_fit_ref 0.9910 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_constraints 1 _refine_ls_number_parameters 179 _refine_ls_number_reflns 4066 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.9910 _refine_ls_R_factor_all 0.0359 _refine_ls_R_factor_gt 0.0318 _refine_ls_shift/su_max 0.0004 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0275P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0649 _refine_ls_wR_factor_ref 0.0674 _reflns_Friedel_coverage 0.985 _reflns_limit_h_max 14 _reflns_limit_h_min -14 _reflns_limit_k_max 15 _reflns_limit_k_min -15 _reflns_limit_l_max 16 _reflns_limit_l_min -16 _reflns_number_gt 3768 _reflns_number_total 4066 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL timmy_a.res in P2(1)2(1)2(1) REM Old TITL timmy in P212121 #19 REM SHELXT solution in P2(1)2(1)2(1) REM R1 0.208, Rweak 0.041, Alpha 0.002, Orientation as input REM Flack x = -3.564 ( 0.212 ) from Parsons' quotients REM Formula found by SHELXT: H3a O10 Na CELL 0.71073 9.171774 9.588236 10.550245 90 90 90 ZERR 4 0.000368 0.000334 0.000405 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H Ca O UNIT 16 48 4 40 L.S. 20 PLAN 12 CONF BOND $H list 4 fmap 2 acta MORE -1 OMIT -3 70 WGHT 0.027546 0 FVAR 6.493297 REM REM REM > REM REM > REM > REM REM Ca1 3 0.81362 0.31706 0.82363 11.00000 0.00641 0.00794 0.00746 = 0.00018 -0.00010 -0.00008 H4 2 0.85015 0.67295 0.53132 11.00000 0.04258 O1 4 0.94451 0.53115 0.83031 11.00000 0.00797 0.00954 0.01470 = 0.00126 -0.00120 0.00130 O1L 4 0.77380 0.33649 0.58997 11.00000 0.01258 0.01602 0.01104 = 0.00039 0.00173 0.00359 AFIX 7 H1La 2 0.76869 0.42209 0.56950 11.00000 0.03993 H1Lb 2 0.84878 0.30640 0.55133 11.00000 0.04206 AFIX 0 O2 4 0.96425 0.75928 0.78540 11.00000 0.00913 0.00995 0.01315 = 0.00041 -0.00040 -0.00279 O3 4 0.66235 0.52548 0.78744 11.00000 0.00745 0.00856 0.01376 = 0.00229 0.00160 -0.00091 H3 2 0.59129 0.54233 0.82843 11.00000 0.03410 O4 4 0.77241 0.63909 0.54689 11.00000 0.00673 0.01288 0.00844 = -0.00066 0.00192 0.00072 O5 4 0.44998 0.76155 0.69400 11.00000 0.00794 0.01344 0.01018 = -0.00026 0.00175 0.00161 O6 4 0.51262 0.73128 0.49063 11.00000 0.00865 0.01931 0.00795 = -0.00057 -0.00078 0.00354 C1 1 0.89205 0.64929 0.79890 11.00000 0.00738 0.01045 0.00566 = -0.00106 -0.00008 -0.00018 C2 1 0.72799 0.65938 0.77498 11.00000 0.00695 0.00769 0.00796 = 0.00047 0.00058 -0.00051 H2 2 0.68396 0.72247 0.83397 11.00000 0.01590 C3 1 0.70208 0.72074 0.64313 11.00000 0.00728 0.00829 0.00759 = 0.00016 0.00037 0.00057 H3a 2 0.74750 0.81573 0.64063 11.00000 0.01152 C4 1 0.54104 0.73717 0.60873 11.00000 0.00762 0.00637 0.00934 = 0.00069 -0.00002 0.00003 O1W 4 0.42774 0.57382 0.93680 11.00000 0.02731 0.02483 0.02445 = 0.01108 0.01386 0.01058 H1Wa 2 0.38377 0.64666 0.93260 11.00000 0.02544 H1Wb 2 0.40492 0.53936 0.99749 11.00000 0.03653 O2L 4 0.81005 0.06224 0.83655 11.00000 0.01078 0.01163 0.02083 = -0.00043 0.00379 -0.00075 H2La 2 0.73493 0.01761 0.85260 11.00000 0.02668 H2Lb 2 0.85530 0.02242 0.78291 11.00000 0.05248 O2W 4 0.42804 0.41576 0.57599 11.00000 0.01324 0.02025 0.01793 = 0.00638 0.00238 0.00072 H2Wa 2 0.46370 0.44178 0.50854 11.00000 0.05015 H2Wb 2 0.48833 0.39685 0.62576 11.00000 0.04619 HKLF 4 END Q1 1 0.8125 0.65625 0.777778 11 0.05 0.42 Q2 1 0.71875 0.6875 0.722222 11 0.05 0.41 Q3 1 0.78125 0.3125 0.75 11 0.05 0.31 Q4 1 0.59375 0.6875 0.472222 11 0.05 0.3 Q5 1 0.90625 0.59375 0.805556 11 0.05 0.29 REM The information below was added by Olex2. REM REM R1 = 0.0318 for 3768 Fo > 4sig(Fo) and 0.0359 for all 4066 data REM 179 parameters refined using 0 restraints REM Highest difference peak 0.4214, deepest hole -0.3695 REM Mean Shift 0.0000, Max Shift 0.0004. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0359 REM R1_gt = 0.0318 REM wR_ref = 0.0674 REM GOOF = 0.9910 REM Shift_max = 0.0004 REM Shift_mean = 0.0000 REM Reflections_all = 4066 REM Reflections_gt = 3768 REM Parameters = 179 REM Hole = -0.3695 REM Peak = 0.4214 REM Flack = 0.002(18) ; _cod_data_source_file timmy_Thakkar.cif _cod_data_source_block timmy _cod_original_sg_symbol_Hall ' P 2ac 2ab' _cod_database_code 2300732 _chemical_oxdiff_formula 'C10 H10 O2' _olex2_refinement_description ; 1.a Rotating group: O1L(H1La,H1Lb) ; _iucr_refine_fcf_details ; data_timmy _computing_structure_refinement 'olex2.refine 1.5-dev (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,z+1/2 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall ' P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall ' P 2ac 2ab' _symmetry_Int_Tables_number 19 _cell_length_a 9.1718(4) _cell_length_b 9.5882(3) _cell_length_c 10.5502(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 927.80(6) 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 -14 -4 -3 72.859 77.827 20.166 20.225 o -14 -4 -2 157.339 165.374 27.204 10.942 o -14 -4 -1 269.102 277.025 24.538 12.627 o -14 -3 -4 248.487 202.576 31.338 8.121 o -14 -3 -3 86.970 81.460 20.381 19.746 o -14 -3 -2 316.022 322.068 34.957 6.399 o -14 -3 -1 24.465 20.256 6.726 182.060 o -14 -2 -5 155.509 166.946 28.357 10.093 o -14 -2 -4 16.072 28.753 11.538 62.284 o -14 -2 -3 21.832 26.217 11.152 66.606 o -14 -2 -2 106.542 103.628 14.782 36.616 o -14 -2 -1 39.014 38.628 9.431 92.244 o -14 -1 -5 14.409 18.421 10.885 70.034 o -14 -1 -4 165.894 196.275 30.832 8.531 o -14 -1 -3 297.806 334.612 39.239 5.153 o -14 -1 -2 58.710 58.725 11.089 66.178 o -14 -1 -1 142.079 147.585 30.349 8.871 o -13 -7 -2 472.399 497.786 70.409 1.619 o -13 -7 -1 168.987 176.895 24.276 13.586 o -13 -6 -4 125.273 157.966 28.401 10.126 o -13 -6 -3 162.979 163.119 28.086 10.273 o -13 -6 -2 144.613 144.083 36.060 6.314 o -13 -6 -1 242.561 246.500 22.731 14.792 o -13 -5 -6 32.655 40.206 15.288 35.415 o -13 -5 -5 41.972 27.878 13.173 47.603 o -13 -5 -4 55.663 69.066 18.244 24.764 o -13 -5 -3 503.616 506.391 47.567 3.384 o -13 -5 -2 198.767 199.910 20.193 18.980 o -13 -5 -1 108.953 103.768 20.495 19.382 o -13 -4 -6 502.813 572.186 52.660 2.786 o -13 -4 -5 86.261 126.271 24.175 14.039 o -13 -4 -4 102.797 142.681 25.038 13.044 o -13 -4 -3 8.438 -6.818 9.080 100.762 o -13 -4 -2 171.172 191.012 19.370 20.820 o -13 -4 -1 48.534 54.197 10.842 69.560 o -13 -3 -7 5.707 4.973 5.857 242.118 o -13 -3 -6 254.673 303.976 37.943 5.557 o -13 -3 -5 87.195 102.997 22.142 16.730 o -13 -3 -4 52.041 70.344 18.168 24.984 o -13 -3 -3 394.023 422.346 42.327 4.339 o -13 -3 -2 28.264 33.600 8.462 114.949 o -13 -3 -1 254.323 237.086 21.291 16.614 o -13 -2 -7 111.997 141.439 26.640 11.527 o -13 -2 -6 115.346 124.287 24.602 13.493 o -13 -2 -5 26.339 25.732 11.585 61.680 o -13 -2 -4 41.954 52.041 16.013 32.216 o -13 -2 -3 217.386 229.257 30.880 8.388 o -13 -2 -2 106.248 112.207 14.565 37.598 o -13 -2 -1 3.089 1.284 3.486 683.595 o -13 -1 -8 211.866 205.524 31.506 8.100 o -13 -1 -7 121.765 122.072 24.599 13.483 o -13 -1 -6 53.506 59.067 16.929 28.766 o -13 -1 -5 143.045 139.930 24.848 13.135 o -13 -1 -4 118.383 121.470 22.619 15.908 o -13 -1 -3 82.014 74.291 17.582 26.473 o -13 -1 -2 2.211 5.601 4.670 380.881 o -13 -1 -1 85.406 89.254 22.390 16.392 o -12 -9 -1 108.215 115.462 16.404 29.855 o -12 -8 -4 24.122 33.412 12.842 50.223 o -12 -8 -3 519.934 548.113 59.110 2.242 o -12 -8 -2 14.504 9.228 9.382 94.288 o -12 -8 -1 27.637 22.035 7.304 154.318 o -12 -7 -6 442.938 526.575 50.249 3.086 o -12 -7 -5 40.633 55.068 17.549 26.848 o -12 -7 -4 119.999 106.644 22.266 16.427 o -12 -7 -3 61.182 71.661 21.139 18.467 o -12 -7 -2 199.787 210.009 28.088 10.132 o -12 -7 -1 50.457 46.979 10.386 75.751 o -12 -6 -7 80.518 77.469 19.584 21.402 o -12 -6 -6 179.387 209.429 31.514 8.145 o -12 -6 -5 132.623 134.321 24.092 13.994 o -12 -6 -4 107.399 101.314 20.901 18.663 o -12 -6 -3 217.913 231.383 20.932 17.471 o -12 -6 -2 292.469 319.091 24.721 12.221 o -12 -6 -1 47.332 47.272 9.806 84.918 o -12 -5 -8 54.674 53.309 15.740 33.247 o -12 -5 -7 365.291 407.664 43.632 4.129 o -12 -5 -6 0.877 -2.940 7.915 132.660 o -12 -5 -5 37.240 47.851 15.248 35.550 o -12 -5 -4 2.263 -8.060 9.444 93.171 o -12 -5 -3 91.138 94.345 13.235 45.757 o -12 -5 -2 50.391 62.633 13.047 48.182 o -12 -5 -1 388.596 374.175 25.965 10.574 o -12 -4 -8 119.173 126.678 24.945 13.119 o -12 -4 -7 59.569 46.392 15.740 33.235 o -12 -4 -6 0.599 -4.008 5.709 254.976 o -12 -4 -5 4.033 20.483 11.767 59.996 o -12 -4 -4 516.775 506.474 45.761 3.623 o -12 -4 -3 19.739 17.946 5.866 239.550 o -12 -4 -2 246.211 243.067 20.498 17.843 o -12 -4 -1 35.896 36.827 8.189 122.116 o -12 -3 -9 122.035 177.421 29.205 9.575 o -12 -3 -8 44.271 41.206 14.618 38.632 o -12 -3 -7 618.477 630.892 52.377 2.736 o -12 -3 -6 69.434 92.861 20.219 20.107 o -12 -3 -5 444.356 490.448 44.705 3.850 o -12 -3 -4 5.924 2.966 6.323 207.776 o -12 -3 -3 361.719 383.320 25.421 11.088 o -12 -3 -2 19.995 16.024 5.837 242.037 o -12 -3 -1 717.133 756.246 38.389 4.425 o -12 -2 -9 58.049 76.040 18.934 22.982 o -12 -2 -8 28.485 12.908 9.727 87.459 o -12 -2 -7 10.006 5.992 6.791 179.986 o -12 -2 -6 84.386 83.932 19.050 22.566 o -12 -2 -5 399.938 407.067 40.520 4.709 o -12 -2 -4 46.722 40.107 13.377 46.052 o -12 -2 -3 312.036 302.867 22.228 14.670 o -12 -2 -2 242.846 254.203 20.535 17.764 o -12 -2 -1 295.501 271.496 22.808 14.257 o -12 -1 -9 30.363 40.590 15.197 35.852 o -12 -1 -8 210.674 250.756 33.673 7.091 o -12 -1 -7 1.997 6.759 8.099 126.690 o -12 -1 -6 1036.040 1063.400 66.346 1.589 o -12 -1 -5 116.378 136.323 24.048 14.091 o -12 -1 -4 36.499 12.295 7.083 163.637 o -12 -1 -3 314.089 352.892 26.911 10.319 o -12 -1 -2 10.808 7.473 5.017 329.300 o -12 -1 -1 26.349 37.596 14.134 41.459 o -11 -10 -2 70.024 62.087 18.091 25.127 o -11 -10 -1 93.829 84.273 13.801 42.249 o -11 -9 -5 11.836 7.406 9.111 100.028 o -11 -9 -4 35.698 58.020 17.510 26.982 o -11 -9 -3 90.954 72.194 12.390 52.285 o -11 -9 -2 82.248 102.397 30.898 8.651 o -11 -9 -1 36.935 53.539 10.965 68.341 o -11 -8 -7 567.954 552.121 50.976 2.927 o -11 -8 -6 30.881 39.165 13.891 42.876 o -11 -8 -5 98.040 57.580 16.697 29.241 o -11 -8 -4 71.943 74.399 18.723 23.438 o -11 -8 -3 56.429 44.676 9.530 89.443 o -11 -8 -2 64.099 44.247 9.604 87.712 o -11 -8 -1 309.428 288.282 23.788 13.083 o -11 -7 -8 321.622 329.112 39.420 5.087 o -11 -7 -7 83.005 127.191 24.773 13.384 o -11 -7 -6 2.582 3.564 6.650 187.881 o -11 -7 -5 138.900 148.306 25.061 12.918 o -11 -7 -4 203.402 177.972 27.677 10.456 o -11 -7 -3 58.208 65.679 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1 10 9 183.812 166.291 19.465 20.625 o 1 10 10 205.559 209.058 21.445 16.881 o 1 10 11 323.278 326.068 21.169 15.743 o 1 10 12 94.806 97.258 11.777 57.064 o 1 11 0 78.252 82.194 7.504 135.980 o 1 11 1 37.938 33.511 5.275 288.258 o 1 11 2 273.611 291.755 14.105 32.175 o 1 11 3 224.287 233.362 12.718 41.354 o 1 11 4 124.626 122.085 11.332 59.343 o 1 11 5 106.846 91.838 10.268 73.352 o 1 11 6 347.114 333.329 19.609 17.550 o 1 11 7 123.808 118.243 15.525 32.938 o 1 11 8 321.362 364.074 28.858 9.050 o 1 11 9 97.600 96.506 11.290 61.726 o 1 11 10 119.574 113.434 16.773 28.479 o 1 11 11 39.367 47.347 8.272 119.127 o 1 12 0 2.501 4.912 2.996 924.931 o 1 12 1 7.364 9.233 4.334 441.254 o 1 12 2 230.646 242.817 13.553 36.856 o 1 12 3 543.173 557.559 24.971 9.761 o 1 12 4 105.390 82.009 9.869 79.434 o 1 12 5 206.086 231.757 18.341 22.380 o 1 12 6 118.142 125.862 12.843 47.218 o 1 12 7 8.936 7.174 4.268 454.968 o 1 12 8 209.373 230.508 22.340 15.545 o 1 12 9 180.865 185.291 20.540 18.588 o 1 12 10 1.406 17.731 7.964 130.965 o 1 13 0 43.904 41.265 7.261 153.559 o 1 13 1 50.550 59.153 7.020 161.548 o 1 13 2 52.242 56.152 9.649 87.217 o 1 13 3 193.960 194.958 15.600 30.552 o 1 13 4 13.741 10.554 7.876 133.714 o 1 13 5 134.632 132.987 13.439 42.785 o 1 13 6 218.476 230.335 22.494 15.290 o 1 13 7 164.840 175.250 20.006 19.705 o 1 13 8 191.605 176.390 20.490 18.623 o 1 13 9 185.894 177.548 21.091 17.671 o 1 14 0 14.184 14.443 5.156 310.841 o 1 14 1 63.140 57.257 13.338 45.983 o 1 14 2 291.981 309.236 20.323 17.304 o 1 14 3 33.843 33.021 7.269 154.762 o 1 14 4 201.394 208.802 17.120 25.601 o 1 14 5 78.230 88.228 11.608 59.451 o 1 14 6 94.678 86.516 14.272 39.553 o 1 14 7 147.494 144.329 24.800 13.164 o 1 15 0 183.135 180.126 21.426 17.162 o 1 15 1 677.362 697.899 39.597 4.321 o 1 15 2 68.828 71.908 15.493 34.097 o 1 15 3 36.353 30.880 6.869 172.798 o 1 15 4 105.064 97.867 12.335 51.891 o 2 0 0 504.759 444.099 13.828 22.500 o 2 0 1 1322.300 1461.250 17.306 4.829 o 2 0 2 1202.290 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15.690 30.583 o 2 1 12 526.379 535.186 37.904 5.039 o 2 1 13 89.266 92.377 12.436 51.670 o 2 1 14 183.117 197.528 18.812 21.830 o 2 1 15 99.535 105.396 14.245 39.437 o 2 1 16 0.715 3.324 6.170 218.320 o 2 2 0 14.226 29.095 2.521 1252.610 o 2 2 1 111.265 112.284 3.576 373.685 o 2 2 2 679.777 733.440 9.371 18.179 o 2 2 3 613.076 578.761 12.688 19.076 o 2 2 4 2977.890 3051.330 26.101 1.105 o 2 2 5 1046.850 1073.950 24.358 5.774 o 2 2 6 25.553 22.619 3.059 846.722 o 2 2 7 83.028 80.417 5.912 207.394 o 2 2 8 594.388 611.493 17.088 14.702 o 2 2 9 514.385 515.038 16.519 17.539 o 2 2 10 598.580 535.450 24.322 9.839 o 2 2 11 32.000 37.037 7.372 150.541 o 2 2 12 373.373 360.343 22.462 13.672 o 2 2 13 409.674 437.399 35.050 6.103 o 2 2 14 128.872 144.499 33.826 7.178 o 2 2 15 76.527 76.263 12.501 51.714 o 2 2 16 223.191 227.395 21.594 16.471 o 2 3 0 2.776 2.701 1.709 2838.860 o 2 3 1 7409.070 7468.560 45.308 0.189 o 2 3 2 999.958 1010.790 12.367 9.061 o 2 3 3 605.530 635.127 11.090 20.252 o 2 3 4 4660.820 4538.650 28.446 0.489 o 2 3 5 30.568 29.432 2.890 918.760 o 2 3 6 83.132 87.821 6.450 176.636 o 2 3 7 849.950 852.596 17.224 9.824 o 2 3 8 245.409 238.181 9.709 59.757 o 2 3 9 447.215 474.133 18.147 17.058 o 2 3 10 446.805 447.018 21.805 13.255 o 2 3 11 161.349 174.340 14.682 35.155 o 2 3 12 48.499 58.480 9.594 88.334 o 2 3 13 82.458 92.174 22.079 16.856 o 2 3 14 133.533 161.274 16.741 28.102 o 2 3 15 77.626 84.379 19.473 21.640 o 2 3 16 351.917 386.587 42.601 4.340 o 2 4 0 6308.510 6734.530 55.093 0.240 o 2 4 1 1086.690 1071.340 15.540 7.360 o 2 4 2 2299.410 2284.060 20.610 1.881 o 2 4 3 268.722 282.131 5.238 98.854 o 2 4 4 590.670 585.125 10.014 22.871 o 2 4 5 1324.360 1331.720 17.013 5.113 o 2 4 6 198.266 181.284 7.065 106.452 o 2 4 7 236.428 255.881 9.596 60.727 o 2 4 8 560.935 587.796 15.417 17.166 o 2 4 9 540.075 500.183 15.040 19.027 o 2 4 10 1291.160 1279.980 36.358 3.222 o 2 4 11 65.713 79.876 10.270 76.075 o 2 4 12 20.854 7.680 3.991 515.156 o 2 4 13 591.428 561.183 45.349 3.593 o 2 4 14 138.123 137.912 24.619 13.392 o 2 4 15 130.224 83.126 19.810 20.653 o 2 4 16 286.854 297.487 37.665 5.605 o 2 5 0 9.403 7.248 1.203 5525.400 o 2 5 1 79.697 76.627 3.856 424.698 o 2 5 2 250.361 251.384 7.391 81.226 o 2 5 3 490.662 511.922 11.186 26.542 o 2 5 4 598.056 566.932 12.399 19.986 o 2 5 5 1421.540 1318.900 16.452 4.801 o 2 5 6 375.842 360.530 9.711 41.848 o 2 5 7 645.045 655.800 14.164 15.986 o 2 5 8 197.961 207.090 8.584 79.653 o 2 5 9 30.606 29.710 4.875 339.751 o 2 5 10 74.278 66.851 9.951 80.731 o 2 5 11 173.909 157.960 22.182 16.181 o 2 5 12 171.607 172.177 24.446 13.405 o 2 5 13 978.616 890.497 58.149 2.044 o 2 5 14 107.063 99.069 20.881 18.705 o 2 5 15 160.056 159.247 27.075 11.045 o 2 6 0 8602.240 8644.990 53.685 0.140 o 2 6 1 37.836 41.321 3.165 744.085 o 2 6 2 21.077 33.366 3.360 706.132 o 2 6 3 665.826 652.120 13.541 16.132 o 2 6 4 426.222 421.338 11.443 31.040 o 2 6 5 322.827 353.679 12.486 34.612 o 2 6 6 273.510 295.762 11.859 41.443 o 2 6 7 174.863 159.140 9.170 78.459 o 2 6 8 416.259 421.289 15.486 22.320 o 2 6 9 382.136 370.428 15.062 24.776 o 2 6 10 343.227 340.538 18.657 19.017 o 2 6 11 583.371 643.616 26.349 8.562 o 2 6 12 84.537 90.013 13.037 47.321 o 2 6 13 177.318 175.652 18.503 22.703 o 2 6 14 30.769 34.733 9.141 98.548 o 2 6 15 274.812 277.260 27.913 9.931 o 2 7 0 1173.720 1146.120 21.339 5.599 o 2 7 1 302.592 327.919 9.104 53.176 o 2 7 2 1049.010 1058.540 17.490 7.252 o 2 7 3 797.395 790.701 17.146 10.741 o 2 7 4 303.593 313.814 10.480 45.825 o 2 7 5 750.124 743.942 16.820 11.745 o 2 7 6 317.285 296.769 12.494 36.254 o 2 7 7 634.966 639.975 19.099 12.361 o 2 7 8 454.675 471.607 17.102 18.335 o 2 7 9 509.015 502.347 18.278 15.710 o 2 7 10 97.336 102.182 10.535 70.179 o 2 7 11 849.235 867.349 31.443 5.383 o 2 7 12 81.389 91.753 15.689 33.029 o 2 7 13 125.052 135.305 16.534 29.067 o 2 7 14 102.875 113.454 15.839 32.028 o 2 7 15 52.597 68.464 12.838 49.661 o 2 8 0 1853.110 1860.850 29.421 2.389 o 2 8 1 428.338 415.518 14.123 24.740 o 2 8 2 1014.950 1056.780 18.513 7.252 o 2 8 3 727.023 728.248 16.178 12.530 o 2 8 4 46.077 45.388 4.501 380.352 o 2 8 5 715.829 730.689 17.632 11.786 o 2 8 6 764.014 769.409 21.214 9.285 o 2 8 7 88.031 86.284 7.525 133.133 o 2 8 8 108.295 115.601 9.022 91.620 o 2 8 9 663.719 693.510 22.450 9.796 o 2 8 10 263.912 268.861 22.170 15.249 o 2 8 11 194.278 190.232 15.335 31.550 o 2 8 12 172.212 152.160 14.273 37.016 o 2 8 13 124.145 153.524 46.470 3.824 o 2 8 14 132.733 173.435 24.951 13.010 o 2 9 0 792.999 812.209 23.704 7.939 o 2 9 1 645.813 659.339 25.313 8.642 o 2 9 2 206.015 196.800 11.172 53.253 o 2 9 3 275.182 275.143 12.800 37.555 o 2 9 4 387.338 394.885 13.111 28.935 o 2 9 5 76.211 71.053 5.732 224.174 o 2 9 6 525.147 542.275 18.615 14.831 o 2 9 7 74.481 84.100 7.798 127.084 o 2 9 8 603.660 592.826 20.901 11.704 o 2 9 9 135.194 133.478 10.279 69.601 o 2 9 10 1.180 3.228 5.376 287.511 o 2 9 11 301.858 307.980 20.092 17.541 o 2 9 12 126.938 137.924 22.336 16.237 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387.715 28.621 8.957 o 3 2 16 217.819 208.984 31.485 8.097 o 3 3 0 4614.620 4718.770 38.400 0.465 o 3 3 1 448.576 470.731 10.399 31.254 o 3 3 2 131.391 134.367 5.030 215.332 o 3 3 3 6879.220 6711.820 47.460 0.221 o 3 3 4 186.582 155.230 6.129 136.006 o 3 3 5 3209.190 3232.360 29.884 0.950 o 3 3 6 138.984 142.550 7.772 110.351 o 3 3 7 75.101 89.608 6.599 171.743 o 3 3 8 584.336 576.815 17.490 14.767 o 3 3 9 642.649 590.419 18.794 12.789 o 3 3 10 170.370 153.668 10.047 68.374 o 3 3 11 400.969 420.129 22.948 12.736 o 3 3 12 222.167 217.544 17.372 24.536 o 3 3 13 59.413 49.425 9.087 97.817 o 3 3 14 140.020 192.596 28.203 10.206 o 3 3 15 90.992 90.653 20.117 20.222 o 3 3 16 90.858 89.996 21.296 18.077 o 3 4 0 1874.010 1863.230 20.668 2.697 o 3 4 1 1927.090 1938.800 23.991 2.441 o 3 4 2 972.506 1005.050 13.873 8.973 o 3 4 3 23.334 27.418 1.946 1956.430 o 3 4 4 3089.020 3110.260 24.644 1.054 o 3 4 5 69.559 63.570 3.899 445.174 o 3 4 6 1211.520 1195.480 18.084 5.808 o 3 4 7 242.173 238.136 9.993 57.761 o 3 4 8 677.862 647.343 24.509 8.851 o 3 4 9 594.174 576.414 18.571 13.681 o 3 4 10 94.825 93.081 8.006 117.326 o 3 4 11 15.183 16.265 9.011 102.130 o 3 4 12 460.379 460.922 39.350 4.862 o 3 4 13 23.915 10.895 6.999 168.653 o 3 4 14 422.477 410.885 40.734 4.637 o 3 4 15 123.014 173.122 28.689 9.919 o 3 4 16 26.682 22.377 11.820 59.273 o 3 5 0 158.798 148.683 6.564 135.318 o 3 5 1 109.584 113.279 4.837 254.005 o 3 5 2 820.134 846.288 13.809 11.673 o 3 5 3 1723.060 1743.000 20.849 3.072 o 3 5 4 400.380 405.087 11.255 33.339 o 3 5 5 234.615 231.543 7.095 90.586 o 3 5 6 203.823 206.704 7.459 95.031 o 3 5 7 60.076 55.088 5.282 272.544 o 3 5 8 614.279 613.327 18.192 13.470 o 3 5 9 1052.860 1053.260 28.227 5.073 o 3 5 10 61.230 48.192 6.248 200.295 o 3 5 11 204.539 183.533 16.837 26.543 o 3 5 12 10.962 6.402 5.030 327.602 o 3 5 13 33.336 19.325 6.620 186.976 o 3 5 14 27.610 21.119 10.156 80.191 o 3 5 15 56.729 39.048 9.533 89.525 o 3 6 0 934.633 970.044 18.238 8.210 o 3 6 1 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19.478 17.244 o 3 9 9 13.391 9.276 3.403 710.965 o 3 9 10 468.308 474.094 20.255 14.377 o 3 9 11 253.867 222.019 20.494 17.875 o 3 9 12 201.122 197.610 22.759 15.156 o 3 9 13 58.931 57.223 11.457 62.089 o 3 10 0 262.021 263.943 14.471 31.750 o 3 10 1 188.659 167.310 10.394 62.469 o 3 10 2 70.657 71.089 6.917 160.894 o 3 10 3 105.237 103.620 8.500 103.161 o 3 10 4 99.201 90.144 8.003 116.937 o 3 10 5 124.747 112.645 9.058 89.269 o 3 10 6 280.807 268.916 17.093 23.722 o 3 10 7 110.565 112.072 11.380 59.849 o 3 10 8 63.508 69.072 7.766 130.776 o 3 10 9 43.156 41.490 6.408 195.800 o 3 10 10 91.942 77.147 8.499 106.566 o 3 10 11 73.902 98.939 23.625 14.754 o 3 10 12 254.215 268.479 23.821 13.440 o 3 11 0 350.207 361.107 17.939 19.938 o 3 11 1 284.363 292.700 16.497 24.830 o 3 11 2 59.764 58.116 12.169 55.132 o 3 11 3 255.636 248.240 15.774 27.940 o 3 11 4 42.736 49.155 6.565 186.242 o 3 11 5 258.165 275.855 14.973 29.990 o 3 11 6 66.911 67.454 12.156 54.970 o 3 11 7 113.614 107.417 11.781 56.067 o 3 11 8 142.384 134.566 16.921 27.597 o 3 11 9 254.519 266.869 24.184 13.074 o 3 11 10 109.463 112.915 17.196 27.249 o 3 11 11 375.948 442.764 45.053 3.865 o 3 12 0 1397.040 1415.010 39.137 2.747 o 3 12 1 179.559 173.353 12.341 47.163 o 3 12 2 212.818 216.817 15.301 30.903 o 3 12 3 255.360 248.213 16.451 26.035 o 3 12 4 19.318 17.134 7.304 155.032 o 3 12 5 143.186 155.513 17.155 26.743 o 3 12 6 435.795 450.247 30.062 7.907 o 3 12 7 48.946 42.036 10.304 77.077 o 3 12 8 354.897 409.085 36.556 5.764 o 3 12 9 37.870 47.073 21.054 18.695 o 3 12 10 55.346 50.734 11.194 65.185 o 3 13 0 21.388 33.100 6.839 175.856 o 3 13 1 166.135 186.180 16.532 28.079 o 3 13 2 227.335 230.369 14.160 34.617 o 3 13 3 123.008 138.730 13.325 43.733 o 3 13 4 459.213 482.980 24.573 10.802 o 3 13 5 3.969 -1.798 5.876 240.681 o 3 13 6 188.667 225.321 22.271 15.780 o 3 13 7 50.281 55.302 11.578 61.060 o 3 13 8 9.117 9.918 12.879 50.085 o 3 14 0 2.083 0.445 4.471 415.692 o 3 14 1 134.645 134.855 13.617 41.721 o 3 14 2 34.721 34.383 8.791 106.277 o 3 14 3 4.270 4.985 4.509 408.438 o 3 14 4 0.418 3.155 4.095 495.494 o 3 14 5 172.910 172.284 15.486 31.667 o 3 14 6 24.082 19.099 7.120 162.708 o 3 15 0 10.511 10.770 11.466 63.170 o 3 15 1 48.736 57.008 11.797 58.860 o 3 15 2 361.987 381.752 29.117 8.740 o 4 0 0 4187.790 4453.990 62.225 0.468 o 4 0 1 73.292 71.616 5.696 227.924 o 4 0 2 605.179 617.291 19.248 12.744 o 4 0 3 3517.870 3615.220 26.599 0.809 o 4 0 4 42.329 66.040 7.581 139.951 o 4 0 5 347.844 341.630 12.672 33.070 o 4 0 6 4.599 8.856 3.071 878.363 o 4 0 7 922.228 950.387 18.109 8.424 o 4 0 8 158.506 158.337 7.841 103.188 o 4 0 9 1891.990 1843.970 35.008 2.133 o 4 0 10 1.435 3.766 2.679 1157.760 o 4 0 11 954.992 1038.630 37.753 3.850 o 4 0 12 9.044 10.152 11.999 57.693 o 4 0 13 8.710 4.404 5.442 280.221 o 4 0 14 1.784 0.837 4.432 423.137 o 4 0 15 20.852 22.030 10.773 71.401 o 4 0 16 21.414 15.479 11.574 61.905 o 4 1 0 10916.600 11044.700 49.636 0.089 o 4 1 1 2741.180 2834.810 28.218 1.254 o 4 1 2 7589.740 7718.220 73.524 0.168 o 4 1 3 368.905 391.307 9.628 41.513 o 4 1 4 139.780 147.041 5.580 178.820 o 4 1 5 259.524 271.803 11.184 46.736 o 4 1 6 2198.160 2228.000 17.636 2.072 o 4 1 7 220.720 204.632 9.528 65.966 o 4 1 8 1622.810 1599.690 31.041 2.824 o 4 1 9 24.294 20.496 3.710 586.613 o 4 1 10 32.441 32.028 5.078 312.686 o 4 1 11 61.229 62.965 9.731 85.162 o 4 1 12 141.032 123.378 13.859 40.358 o 4 1 13 184.806 178.603 17.004 26.428 o 4 1 14 111.980 118.925 14.863 36.006 o 4 1 15 259.935 301.103 24.584 12.569 o 4 1 16 16.153 22.909 7.885 133.105 o 4 2 0 4348.460 4676.510 79.445 0.389 o 4 2 1 135.288 146.279 4.090 264.847 o 4 2 2 2280.500 2252.680 30.446 1.717 o 4 2 3 2744.360 2766.300 37.272 1.165 o 4 2 4 519.528 497.318 16.201 18.008 o 4 2 5 1574.890 1562.680 19.681 3.678 o 4 2 6 1403.080 1357.660 13.644 5.043 o 4 2 7 59.034 58.350 8.592 108.722 o 4 2 8 71.174 70.781 6.736 168.902 o 4 2 9 1158.680 1153.330 27.422 4.702 o 4 2 10 709.904 710.546 22.491 9.354 o 4 2 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7.063 109.815 o 4 4 4 3508.870 3264.980 48.148 0.740 o 4 4 5 51.392 48.983 3.934 477.092 o 4 4 6 346.798 336.467 10.922 39.810 o 4 4 7 0.527 1.273 1.758 2688.400 o 4 4 8 586.367 583.957 17.778 14.422 o 4 4 9 125.984 128.428 8.079 107.272 o 4 4 10 600.268 617.209 22.209 10.767 o 4 4 11 54.814 55.801 9.257 94.430 o 4 4 12 458.835 430.212 45.978 3.666 o 4 4 13 64.280 49.259 9.632 87.067 o 4 4 14 23.529 26.363 7.971 129.883 o 4 4 15 47.057 52.073 10.929 68.545 o 4 5 0 427.186 439.486 13.408 25.896 o 4 5 1 1249.000 1226.850 22.177 5.002 o 4 5 2 292.457 292.544 9.159 55.852 o 4 5 3 169.751 163.492 7.229 112.925 o 4 5 4 78.469 78.048 4.355 351.787 o 4 5 5 91.380 91.058 7.286 139.895 o 4 5 6 100.950 95.640 7.820 121.115 o 4 5 7 542.507 529.105 18.838 14.465 o 4 5 8 127.891 124.901 9.643 78.989 o 4 5 9 770.669 766.883 24.709 7.842 o 4 5 10 172.200 170.877 12.204 48.506 o 4 5 11 195.230 196.787 34.097 6.974 o 4 5 12 177.050 198.087 26.062 11.789 o 4 5 13 481.249 472.421 29.602 7.916 o 4 5 14 177.080 191.033 19.614 20.281 o 4 5 15 233.794 218.790 21.733 16.230 o 4 6 0 84.788 95.410 7.014 150.773 o 4 6 1 27.300 31.108 3.604 610.790 o 4 6 2 505.279 491.932 11.705 25.389 o 4 6 3 25.938 32.227 3.289 728.066 o 4 6 4 735.171 728.216 15.400 12.891 o 4 6 5 395.727 402.460 13.928 26.452 o 4 6 6 378.314 373.246 14.008 27.350 o 4 6 7 115.284 99.323 8.565 100.687 o 4 6 8 14.431 8.572 3.220 792.324 o 4 6 9 102.028 98.336 9.903 78.559 o 4 6 10 540.689 498.413 21.481 12.370 o 4 6 11 158.301 143.499 15.326 32.882 o 4 6 12 327.345 322.555 24.034 12.627 o 4 6 13 78.629 81.699 12.713 49.935 o 4 6 14 15.229 9.364 5.287 295.912 o 4 6 15 85.027 60.795 12.096 55.104 o 4 7 0 3051.380 2949.650 34.880 1.023 o 4 7 1 191.047 193.647 9.642 68.728 o 4 7 2 292.411 303.932 9.709 51.660 o 4 7 3 1071.220 1042.690 20.934 6.424 o 4 7 4 356.396 359.010 11.457 36.431 o 4 7 5 64.662 74.244 7.251 148.218 o 4 7 6 756.051 722.888 20.271 9.988 o 4 7 7 27.354 27.404 4.750 359.289 o 4 7 8 442.905 479.744 20.322 14.574 o 4 7 9 82.603 86.346 9.968 79.383 o 4 7 10 11.634 11.038 3.813 567.819 o 4 7 11 320.470 348.307 40.572 4.808 o 4 7 12 623.478 672.369 35.194 5.364 o 4 7 13 14.700 11.557 5.647 259.437 o 4 7 14 407.368 431.790 30.577 7.796 o 4 8 0 230.223 217.002 10.249 57.815 o 4 8 1 499.086 493.644 15.570 19.324 o 4 8 2 134.682 143.323 8.675 92.740 o 4 8 3 1285.890 1297.830 31.246 3.712 o 4 8 4 1009.350 990.288 21.267 6.836 o 4 8 5 546.771 542.907 20.616 12.770 o 4 8 6 101.198 100.017 9.287 88.448 o 4 8 7 66.995 64.527 6.800 167.662 o 4 8 8 99.245 106.595 8.898 95.505 o 4 8 9 313.427 304.698 17.369 22.170 o 4 8 10 24.671 15.954 5.658 256.717 o 4 8 11 282.715 315.785 23.834 13.118 o 4 8 12 24.998 30.969 7.759 136.791 o 4 8 13 8.788 6.970 4.607 390.621 o 4 9 0 32.352 50.480 5.552 260.168 o 4 9 1 98.517 99.753 7.642 126.262 o 4 9 2 99.109 83.611 7.153 143.619 o 4 9 3 20.553 23.394 3.647 608.877 o 4 9 4 165.009 159.336 10.067 68.378 o 4 9 5 145.230 151.299 10.410 66.576 o 4 9 6 265.537 266.916 13.421 35.542 o 4 9 7 99.611 95.857 8.332 108.256 o 4 9 8 26.842 36.512 5.819 240.538 o 4 9 9 0.721 -0.156 2.906 984.046 o 4 9 10 146.391 137.106 12.600 47.671 o 4 9 11 50.810 39.740 8.695 107.534 o 4 9 12 194.697 208.041 20.671 18.170 o 4 9 13 144.352 145.490 17.864 24.806 o 4 10 0 211.700 215.721 11.673 48.686 o 4 10 1 269.010 287.904 13.670 34.007 o 4 10 2 123.355 129.116 9.482 81.616 o 4 10 3 378.824 379.692 16.042 22.682 o 4 10 4 55.736 49.007 6.104 210.737 o 4 10 5 34.258 30.240 5.469 270.449 o 4 10 6 46.918 46.507 7.133 158.183 o 4 10 7 63.308 52.089 7.729 133.120 o 4 10 8 91.274 86.028 10.480 71.698 o 4 10 9 4.767 9.535 5.390 285.803 o 4 10 10 172.875 196.751 15.496 31.369 o 4 10 11 65.719 85.830 13.329 45.749 o 4 10 12 0.659 3.802 12.933 49.685 o 4 11 0 6.997 4.916 5.451 279.390 o 4 11 1 406.223 412.811 17.252 19.591 o 4 11 2 46.675 53.089 6.423 192.979 o 4 11 3 86.002 83.811 8.060 117.911 o 4 11 4 20.284 21.445 4.291 443.609 o 4 11 5 797.737 830.187 31.530 5.577 o 4 11 6 32.286 33.109 7.436 148.147 o 4 11 7 587.721 607.746 27.708 8.023 o 4 11 8 24.920 22.110 6.002 227.900 o 4 11 9 64.073 68.381 12.009 56.349 o 4 11 10 7.284 8.154 4.945 339.231 o 4 11 11 148.119 171.388 28.275 10.161 o 4 12 0 57.121 45.309 8.827 103.809 o 4 12 1 2.927 0.928 3.072 880.363 o 4 12 2 475.724 499.679 23.130 11.663 o 4 12 3 66.855 69.360 8.748 103.871 o 4 12 4 945.460 1039.630 40.606 3.502 o 4 12 5 81.016 89.503 11.157 64.015 o 4 12 6 58.476 67.855 9.768 84.557 o 4 12 7 16.506 17.196 6.724 182.940 o 4 12 8 263.223 266.407 24.197 13.016 o 4 12 9 205.097 199.228 31.275 8.233 o 4 13 0 304.176 292.968 18.922 19.485 o 4 13 1 95.885 84.351 10.253 74.496 o 4 13 2 235.291 253.576 21.670 16.175 o 4 13 3 0.441 2.703 4.328 443.742 o 4 13 4 40.431 50.381 10.150 79.541 o 4 13 5 41.127 37.480 9.157 97.694 o 4 13 6 98.120 105.489 15.120 35.172 o 4 13 7 166.740 175.722 36.294 6.206 o 4 13 8 235.401 299.159 38.019 5.557 o 4 14 0 1.514 2.518 4.705 375.388 o 4 14 1 20.540 47.580 8.748 107.656 o 4 14 2 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3.355 o 5 1 7 172.614 164.013 8.525 87.912 o 5 1 8 594.518 578.745 19.671 12.777 o 5 1 9 62.735 57.077 6.728 172.872 o 5 1 10 335.700 348.048 16.584 22.917 o 5 1 11 83.523 83.640 9.337 89.859 o 5 1 12 399.450 373.346 24.276 11.785 o 5 1 13 12.598 17.096 10.958 69.118 o 5 1 14 49.356 55.857 10.608 72.559 o 5 1 15 33.552 43.342 10.419 75.843 o 5 2 0 2023.500 2004.730 26.991 2.178 o 5 2 1 498.264 473.947 12.340 24.839 o 5 2 2 1068.280 1017.020 22.117 6.260 o 5 2 3 884.595 913.643 19.336 8.474 o 5 2 4 317.620 300.146 10.167 46.918 o 5 2 5 33.575 36.153 3.258 721.796 o 5 2 6 1315.890 1271.110 19.058 5.044 o 5 2 7 524.205 499.694 14.511 20.140 o 5 2 8 515.146 538.543 18.887 14.730 o 5 2 9 126.136 122.182 9.543 80.767 o 5 2 10 715.653 690.971 23.172 9.066 o 5 2 11 205.773 205.837 13.345 39.533 o 5 2 12 229.699 218.546 33.133 7.312 o 5 2 13 302.945 315.390 23.088 13.746 o 5 2 14 89.425 93.810 24.519 13.681 o 5 2 15 161.232 129.092 24.643 13.308 o 5 3 0 85.848 94.714 4.846 282.049 o 5 3 1 62.689 64.697 3.610 516.882 o 5 3 2 290.971 276.516 12.665 37.344 o 5 3 3 1532.080 1555.600 34.755 2.763 o 5 3 4 676.135 654.673 17.200 13.079 o 5 3 5 755.647 742.000 19.366 10.348 o 5 3 6 1161.880 1173.170 19.774 5.844 o 5 3 7 787.555 750.186 17.984 10.664 o 5 3 8 104.881 112.341 7.378 131.525 o 5 3 9 548.166 563.460 17.192 15.744 o 5 3 10 190.018 208.918 11.059 54.839 o 5 3 11 476.621 510.370 17.986 16.486 o 5 3 12 274.808 267.672 30.983 8.177 o 5 3 13 30.089 38.514 13.328 46.568 o 5 3 14 149.048 169.130 24.220 13.736 o 5 3 15 84.598 64.077 17.695 26.158 o 5 4 0 5152.360 4954.260 41.903 0.389 o 5 4 1 450.673 445.373 11.646 28.801 o 5 4 2 991.631 964.769 32.635 4.623 o 5 4 3 744.917 714.232 22.545 9.054 o 5 4 4 349.436 345.120 13.246 31.086 o 5 4 5 15.537 16.611 3.485 673.720 o 5 4 6 1823.900 1778.850 26.318 2.617 o 5 4 7 226.180 228.530 9.943 60.243 o 5 4 8 486.855 499.491 15.460 19.693 o 5 4 9 36.718 47.558 6.298 203.217 o 5 4 10 85.686 87.960 8.722 101.657 o 5 4 11 182.049 177.510 12.720 44.553 o 5 4 12 413.425 422.177 26.291 10.101 o 5 4 13 54.185 71.851 11.617 60.351 o 5 4 14 177.297 169.029 18.459 22.841 o 5 4 15 38.281 24.951 12.027 57.116 o 5 5 0 11.363 16.047 3.623 627.200 o 5 5 1 642.185 637.920 16.021 14.626 o 5 5 2 708.229 713.971 16.711 12.555 o 5 5 3 799.682 819.038 18.400 9.992 o 5 5 4 181.195 178.129 10.033 66.334 o 5 5 5 547.787 550.820 18.361 14.692 o 5 5 6 492.256 462.290 22.832 11.910 o 5 5 7 557.994 529.756 19.471 13.680 o 5 5 8 13.552 7.923 3.034 892.573 o 5 5 9 434.770 423.126 18.817 16.790 o 5 5 10 22.652 20.633 6.504 194.770 o 5 5 11 295.090 293.511 18.642 20.106 o 5 5 12 15.055 8.785 11.025 68.297 o 5 5 13 47.946 51.376 9.845 84.151 o 5 5 14 93.945 83.025 13.119 46.613 o 5 5 15 74.022 79.355 19.691 21.195 o 5 6 0 708.114 694.071 18.616 11.510 o 5 6 1 30.971 34.360 6.530 191.393 o 5 6 2 342.406 336.860 12.893 32.690 o 5 6 3 59.249 57.457 5.549 248.794 o 5 6 4 240.718 239.597 12.098 43.692 o 5 6 5 492.068 518.569 18.623 15.470 o 5 6 6 798.007 802.114 23.878 7.877 o 5 6 7 229.793 234.685 13.519 37.201 o 5 6 8 78.015 88.180 8.639 104.319 o 5 6 9 501.907 497.878 21.090 13.089 o 5 6 10 95.970 107.756 10.180 74.730 o 5 6 11 80.999 93.550 9.864 80.835 o 5 6 12 101.836 110.157 14.245 39.345 o 5 6 13 320.818 289.085 23.829 12.968 o 5 6 14 44.968 45.426 10.131 79.776 o 5 7 0 215.212 196.370 10.825 55.292 o 5 7 1 439.254 444.779 16.183 20.294 o 5 7 2 1036.000 1034.630 24.657 5.846 o 5 7 3 88.824 95.504 8.882 97.559 o 5 7 4 1510.010 1492.730 45.981 2.169 o 5 7 5 485.336 468.175 18.465 16.121 o 5 7 6 350.214 333.911 16.131 23.717 o 5 7 7 753.328 706.294 24.319 8.275 o 5 7 8 152.641 156.935 12.036 51.024 o 5 7 9 16.328 20.065 4.911 341.231 o 5 7 10 387.376 397.563 20.151 15.923 o 5 7 11 107.316 97.252 10.687 67.889 o 5 7 12 35.922 49.364 9.902 83.701 o 5 7 13 189.313 181.056 36.142 6.236 o 5 7 14 1.748 7.792 6.568 192.577 o 5 8 0 18.221 14.006 3.662 610.005 o 5 8 1 1305.490 1278.370 38.083 3.049 o 5 8 2 528.197 543.197 19.303 14.126 o 5 8 3 158.110 151.772 10.452 65.072 o 5 8 4 505.822 508.539 15.912 18.549 o 5 8 5 573.874 563.513 23.935 10.137 o 5 8 6 132.414 129.060 12.024 52.713 o 5 8 7 466.522 458.252 20.325 14.421 o 5 8 8 153.390 148.515 11.989 51.547 o 5 8 9 266.686 252.643 16.173 26.497 o 5 8 10 221.064 223.746 15.754 29.102 o 5 8 11 248.887 252.237 21.447 16.379 o 5 8 12 25.660 26.507 8.911 103.990 o 5 8 13 336.148 337.380 29.919 8.471 o 5 9 0 7.769 6.263 3.811 570.635 o 5 9 1 71.715 72.742 7.667 132.501 o 5 9 2 67.455 53.226 8.496 110.569 o 5 9 3 87.283 89.458 8.752 100.761 o 5 9 4 498.460 507.843 27.143 8.959 o 5 9 5 74.993 61.656 9.979 80.412 o 5 9 6 128.114 121.632 19.519 21.145 o 5 9 7 68.100 61.713 10.279 76.270 o 5 9 8 98.697 99.337 10.335 72.749 o 5 9 9 326.325 326.542 19.072 18.693 o 5 9 10 217.190 234.738 18.097 22.754 o 5 9 11 72.583 74.976 12.277 53.685 o 5 9 12 121.594 112.266 15.377 33.634 o 5 10 0 61.069 56.444 7.356 146.311 o 5 10 1 144.314 138.716 11.261 58.441 o 5 10 2 76.311 79.752 8.646 104.786 o 5 10 3 246.399 223.503 24.771 12.652 o 5 10 4 414.060 448.094 46.069 3.678 o 5 10 5 223.344 233.714 27.959 10.126 o 5 10 6 102.339 111.915 14.149 39.829 o 5 10 7 134.246 155.042 16.851 27.786 o 5 10 8 339.685 367.091 25.830 10.942 o 5 10 9 194.987 192.686 19.016 21.297 o 5 10 10 4.165 0.719 3.229 796.767 o 5 10 11 9.094 2.622 5.747 251.362 o 5 11 0 604.440 622.741 25.341 8.984 o 5 11 1 53.641 36.616 7.920 128.906 o 5 11 2 2.622 -4.915 4.183 474.799 o 5 11 3 610.550 645.404 44.390 3.670 o 5 11 4 109.956 108.194 14.332 38.746 o 5 11 5 432.723 386.423 28.877 8.603 o 5 11 6 107.578 117.215 15.097 35.032 o 5 11 7 118.171 108.672 14.831 36.136 o 5 11 8 169.366 210.127 20.627 18.433 o 5 11 9 371.590 388.544 28.309 9.139 o 5 11 10 22.870 23.981 7.769 136.757 o 5 12 0 218.402 212.945 18.729 21.510 o 5 12 1 303.918 308.710 34.297 6.664 o 5 12 2 97.225 96.827 21.467 17.759 o 5 12 3 204.934 211.311 29.348 9.298 o 5 12 4 59.013 64.903 11.675 59.730 o 5 12 5 89.400 102.023 18.058 24.975 o 5 12 6 292.532 332.496 26.178 10.989 o 5 12 7 35.342 20.947 7.208 157.814 o 5 12 8 473.345 475.710 51.082 2.990 o 5 12 9 122.926 130.548 17.340 26.584 o 5 13 0 120.212 93.135 20.211 19.888 o 5 13 1 44.839 58.548 15.180 35.776 o 5 13 2 58.155 42.244 13.975 42.095 o 5 13 3 294.515 313.527 36.922 5.804 o 5 13 4 185.111 200.306 29.650 9.167 o 5 13 5 160.529 154.942 27.248 10.912 o 5 13 6 9.116 21.863 12.463 53.460 o 5 13 7 97.872 117.740 23.180 15.233 o 5 14 0 173.433 164.784 19.131 21.415 o 5 14 1 264.946 291.808 25.217 11.995 o 5 14 2 2.548 4.602 10.832 70.826 o 5 14 3 91.097 85.519 20.325 19.827 o 5 14 4 9.920 4.657 8.044 128.326 o 6 0 0 59.364 50.167 8.333 115.671 o 6 0 1 277.647 271.349 13.585 34.316 o 6 0 2 1152.040 1101.780 27.207 4.837 o 6 0 3 1993.480 1935.690 35.468 1.971 o 6 0 4 53.177 48.322 4.040 453.234 o 6 0 5 585.985 575.933 13.012 19.468 o 6 0 6 2525.140 2554.620 38.216 1.312 o 6 0 7 957.969 934.986 43.776 3.194 o 6 0 8 35.956 48.560 10.535 74.058 o 6 0 9 281.411 266.231 41.433 4.683 o 6 0 10 60.637 52.948 8.128 121.090 o 6 0 11 127.860 106.183 16.119 30.681 o 6 0 12 127.027 143.550 21.210 17.941 o 6 0 13 19.574 17.380 10.530 74.770 o 6 0 14 101.008 105.526 20.060 20.252 o 6 0 15 160.232 157.161 25.462 12.450 o 6 1 0 1434.470 1450.710 31.692 3.224 o 6 1 1 1481.980 1385.680 30.987 3.252 o 6 1 2 52.658 48.495 3.663 539.321 o 6 1 3 749.312 774.618 14.560 12.831 o 6 1 4 758.554 744.454 15.106 12.603 o 6 1 5 287.502 285.805 9.838 52.183 o 6 1 6 361.225 372.919 15.526 24.284 o 6 1 7 167.254 187.527 16.943 26.804 o 6 1 8 85.592 97.080 7.718 126.615 o 6 1 9 113.583 124.223 9.999 75.279 o 6 1 10 35.998 40.731 6.301 203.841 o 6 1 11 602.174 588.616 24.156 9.725 o 6 1 12 449.211 471.799 43.392 4.071 o 6 1 13 139.303 137.595 15.887 31.126 o 6 1 14 86.422 72.546 12.041 55.379 o 6 1 15 66.730 81.953 17.786 25.949 o 6 2 0 622.734 529.719 18.094 14.013 o 6 2 1 470.554 482.384 13.103 24.262 o 6 2 2 313.719 298.717 10.578 45.113 o 6 2 3 120.213 124.726 6.734 146.850 o 6 2 4 437.140 415.017 12.515 28.003 o 6 2 5 6.235 8.348 2.106 1858.120 o 6 2 6 870.028 889.025 27.742 6.145 o 6 2 7 782.939 788.599 25.322 7.497 o 6 2 8 68.165 73.578 6.172 198.749 o 6 2 9 75.138 69.628 6.265 191.813 o 6 2 10 5.991 7.572 2.474 1350.150 o 6 2 11 2.623 3.272 3.267 778.294 o 6 2 12 375.473 382.568 24.656 11.603 o 6 2 13 25.358 22.834 6.816 177.139 o 6 2 14 77.555 89.280 19.680 21.183 o 6 2 15 184.783 239.391 33.364 7.262 o 6 3 0 5.783 8.068 1.425 4025.910 o 6 3 1 38.614 37.626 4.066 470.903 o 6 3 2 1356.180 1344.230 23.870 4.246 o 6 3 3 461.137 450.562 13.967 23.478 o 6 3 4 131.537 126.410 7.522 119.802 o 6 3 5 258.049 263.314 10.961 48.497 o 6 3 6 52.339 45.776 4.670 350.464 o 6 3 7 514.828 525.612 18.486 15.230 o 6 3 8 708.504 668.149 18.482 11.736 o 6 3 9 122.135 124.836 8.502 99.213 o 6 3 10 950.469 979.013 27.176 5.780 o 6 3 11 112.142 112.763 13.216 45.105 o 6 3 12 219.068 197.505 27.255 10.697 o 6 3 13 345.354 353.370 38.351 5.318 o 6 3 14 110.817 136.201 24.455 13.650 o 6 3 15 147.053 201.170 31.441 8.235 o 6 4 0 1220.460 1219.220 21.181 5.266 o 6 4 1 1973.470 1893.760 49.297 1.566 o 6 4 2 991.941 970.284 26.606 5.757 o 6 4 3 299.589 302.105 15.153 27.877 o 6 4 4 1335.250 1334.910 32.708 3.431 o 6 4 5 128.567 119.051 10.127 72.586 o 6 4 6 727.607 673.274 16.782 12.523 o 6 4 7 657.793 644.525 17.362 13.289 o 6 4 8 220.850 220.635 12.970 40.498 o 6 4 9 221.724 232.339 13.911 35.819 o 6 4 10 369.748 370.670 27.015 9.968 o 6 4 11 58.599 65.063 8.701 105.849 o 6 4 12 69.001 53.237 16.155 31.472 o 6 4 13 137.016 126.602 24.099 13.984 o 6 4 14 143.473 148.956 26.157 11.868 o 6 5 0 761.912 758.955 17.732 11.025 o 6 5 1 285.124 277.973 10.312 49.767 o 6 5 2 1768.480 1789.860 49.949 1.700 o 6 5 3 848.486 790.020 26.408 6.818 o 6 5 4 610.638 635.962 24.312 9.424 o 6 5 5 575.070 580.186 23.777 10.162 o 6 5 6 119.862 112.470 9.046 90.057 o 6 5 7 606.082 603.124 21.409 11.289 o 6 5 8 552.939 560.785 21.426 11.987 o 6 5 9 175.952 164.777 12.188 48.584 o 6 5 10 337.895 353.056 18.498 19.264 o 6 5 11 69.522 76.126 8.853 100.996 o 6 5 12 117.673 129.909 15.045 34.975 o 6 5 13 433.787 398.554 40.844 4.608 o 6 5 14 13.311 24.527 10.589 73.973 o 6 6 0 113.343 125.054 8.004 111.560 o 6 6 1 124.183 106.198 26.019 12.087 o 6 6 2 278.358 306.855 17.794 21.900 o 6 6 3 175.544 143.184 12.161 49.327 o 6 6 4 63.007 59.448 8.326 115.064 o 6 6 5 245.691 234.456 16.096 27.383 o 6 6 6 21.460 23.489 4.586 388.264 o 6 6 7 129.970 125.107 10.307 69.996 o 6 6 8 500.407 516.322 21.377 12.765 o 6 6 9 542.909 513.097 22.036 11.853 o 6 6 10 29.258 22.153 6.882 173.474 o 6 6 11 404.570 434.916 21.749 13.771 o 6 6 12 101.550 114.984 27.293 11.030 o 6 6 13 276.137 295.893 35.601 6.258 o 6 6 14 91.778 94.575 21.130 18.345 o 6 7 0 755.419 766.811 21.486 9.244 o 6 7 1 179.242 187.671 14.584 34.943 o 6 7 2 547.046 499.148 23.748 10.682 o 6 7 3 1048.330 1005.500 34.181 4.198 o 6 7 4 80.173 78.039 9.686 84.270 o 6 7 5 222.550 201.557 17.315 24.802 o 6 7 6 93.764 91.086 12.128 54.095 o 6 7 7 0.596 3.848 3.306 760.012 o 6 7 8 504.041 536.612 22.495 11.752 o 6 7 9 378.718 408.214 20.271 15.815 o 6 7 10 38.415 34.030 5.983 225.614 o 6 7 11 256.177 245.321 16.733 25.308 o 6 7 12 44.032 44.146 9.215 96.207 o 6 7 13 19.397 36.968 12.826 50.368 o 6 8 0 221.906 213.635 12.337 44.057 o 6 8 1 153.712 154.309 13.949 39.102 o 6 8 2 415.134 402.132 22.882 12.754 o 6 8 3 419.969 401.793 22.981 12.628 o 6 8 4 76.801 84.951 11.105 64.866 o 6 8 5 404.575 373.977 22.918 12.920 o 6 8 6 667.240 690.461 24.871 8.619 o 6 8 7 68.295 61.988 7.890 126.723 o 6 8 8 277.449 275.942 17.167 23.549 o 6 8 9 781.330 839.316 33.192 5.233 o 6 8 10 29.755 27.293 7.341 152.420 o 6 8 11 181.539 201.897 15.754 30.208 o 6 8 12 51.335 38.620 13.475 45.350 o 6 9 0 671.741 697.954 31.641 6.145 o 6 9 1 504.458 546.158 35.258 5.743 o 6 9 2 316.115 346.681 22.395 14.272 o 6 9 3 260.467 291.415 33.341 7.120 o 6 9 4 40.023 37.636 8.441 114.750 o 6 9 5 198.475 169.975 17.524 24.867 o 6 9 6 333.813 299.107 21.817 14.980 o 6 9 7 144.797 151.726 21.709 17.040 o 6 9 8 438.893 432.978 46.668 3.578 o 6 9 9 235.755 243.424 16.779 25.601 o 6 9 10 141.406 140.839 13.179 44.013 o 6 9 11 19.194 19.907 5.651 257.973 o 6 9 12 121.628 113.817 15.600 32.707 o 6 10 0 201.992 217.940 18.825 21.475 o 6 10 1 266.551 259.021 20.348 17.798 o 6 10 2 314.982 332.988 23.433 13.248 o 6 10 3 219.290 205.450 18.717 21.570 o 6 10 4 622.634 655.824 33.310 5.876 o 6 10 5 122.236 124.008 14.807 36.022 o 6 10 6 22.181 36.561 8.095 125.751 o 6 10 7 164.714 159.007 18.835 22.170 o 6 10 8 137.720 143.869 16.648 28.464 o 6 10 9 105.141 115.350 19.188 22.038 o 6 10 10 75.638 81.408 22.264 16.613 o 6 10 11 9.711 15.444 6.952 171.614 o 6 11 0 107.969 109.633 14.398 38.431 o 6 11 1 709.647 719.702 35.988 4.944 o 6 11 2 323.638 325.271 24.503 12.219 o 6 11 3 10.604 2.465 5.454 278.940 o 6 11 4 413.149 404.495 27.661 9.308 o 6 11 5 207.172 197.620 21.252 17.198 o 6 11 6 6.281 3.598 5.609 263.948 o 6 11 7 200.921 210.200 20.595 18.236 o 6 11 8 13.794 18.651 8.750 108.302 o 6 11 9 179.060 147.448 17.749 24.692 o 6 12 0 14.905 5.903 6.449 199.324 o 6 12 1 64.672 63.845 11.345 63.034 o 6 12 2 224.041 212.921 20.636 17.962 o 6 12 3 13.367 20.199 18.492 24.289 o 6 12 4 122.053 139.389 17.170 27.052 o 6 12 5 462.355 460.668 31.206 7.318 o 6 12 6 197.665 232.523 22.334 15.620 o 6 12 7 140.410 138.539 21.852 16.880 o 6 12 8 64.849 74.546 12.979 48.324 o 6 13 0 9.006 10.990 7.708 139.718 o 6 13 1 669.823 691.774 54.102 2.538 o 6 13 2 123.897 145.595 24.734 13.301 o 6 13 3 120.223 125.406 44.471 4.178 o 6 13 4 285.759 315.171 26.777 10.610 o 6 13 5 164.826 162.571 19.398 20.949 o 6 13 6 72.362 71.926 13.463 44.872 o 6 14 0 266.519 299.483 26.414 10.991 o 6 14 1 84.690 75.265 19.879 20.765 o 6 14 2 152.102 176.998 29.610 9.272 o 7 0 1 105.480 118.204 17.644 25.934 o 7 0 2 2633.070 2645.790 46.617 1.115 o 7 0 3 44.755 38.189 5.718 243.903 o 7 0 4 2223.840 2259.570 41.643 1.504 o 7 0 5 239.671 230.982 12.950 39.527 o 7 0 6 1091.950 1094.930 49.533 2.473 o 7 0 7 225.916 236.107 23.660 13.859 o 7 0 8 284.247 244.001 24.821 12.372 o 7 0 9 43.897 46.469 8.161 121.986 o 7 0 10 923.811 906.364 35.180 4.427 o 7 0 11 12.798 22.415 6.718 183.340 o 7 0 12 204.603 222.815 19.769 19.578 o 7 0 13 156.603 162.840 24.048 13.911 o 7 0 14 81.426 92.523 19.841 20.820 o 7 0 15 114.981 79.770 18.382 24.021 o 7 1 0 116.926 111.332 18.689 23.129 o 7 1 1 771.350 716.605 24.377 8.111 o 7 1 2 198.673 209.589 13.209 40.435 o 7 1 3 505.952 491.106 19.809 14.258 o 7 1 4 7.272 11.153 5.670 258.090 o 7 1 5 269.451 268.579 14.175 32.477 o 7 1 6 356.776 351.214 28.321 9.258 o 7 1 7 2015.830 1967.090 68.962 1.067 o 7 1 8 68.364 80.171 14.528 38.650 o 7 1 9 147.617 138.660 13.461 42.171 o 7 1 10 99.898 122.158 12.840 47.869 o 7 1 11 76.394 72.789 10.437 73.402 o 7 1 12 94.933 106.525 14.883 36.306 o 7 1 13 258.421 328.602 33.232 7.136 o 7 1 14 38.530 58.801 15.066 36.362 o 7 2 0 9.667 11.924 4.006 515.186 o 7 2 1 363.133 320.684 17.407 21.018 o 7 2 2 159.952 163.046 7.891 101.426 o 7 2 3 1000.270 985.895 19.535 7.331 o 7 2 4 282.455 288.844 15.498 27.551 o 7 2 5 473.738 463.624 19.081 15.623 o 7 2 6 411.350 399.176 30.348 7.938 o 7 2 7 64.046 75.688 14.083 41.176 o 7 2 8 30.549 21.305 4.827 348.167 o 7 2 9 96.206 88.914 19.537 21.398 o 7 2 10 186.020 184.670 15.739 30.349 o 7 2 11 355.385 374.249 22.879 13.346 o 7 2 12 154.699 163.944 24.511 13.412 o 7 3 0 62.157 61.139 5.558 245.929 o 7 3 1 172.923 170.440 8.971 80.718 o 7 3 2 535.537 481.450 25.473 9.753 o 7 3 3 83.807 93.800 8.059 117.539 o 7 3 4 620.041 612.885 18.249 13.350 o 7 3 5 23.063 21.854 3.467 669.703 o 7 3 6 1026.680 1010.540 88.519 0.963 o 7 3 7 396.497 356.060 29.682 8.375 o 7 3 8 99.122 104.591 16.904 28.318 o 7 3 9 231.088 221.523 23.475 14.074 o 7 3 10 21.588 3.946 5.257 298.664 o 7 3 11 49.178 49.972 12.710 50.864 o 7 3 12 449.389 476.486 38.138 5.149 o 7 4 0 975.509 943.973 23.015 6.722 o 7 4 1 947.444 915.743 26.108 6.167 o 7 4 2 535.178 552.998 17.456 15.772 o 7 4 3 3086.130 3020.140 69.474 0.695 o 7 4 4 1034.740 995.876 23.596 6.160 o 7 4 5 1040.140 1043.120 31.525 4.575 o 7 4 6 706.459 688.667 25.694 8.049 o 7 4 7 25.244 32.352 6.134 217.532 o 7 4 8 212.885 186.176 22.955 14.880 o 7 4 9 279.964 300.442 29.173 9.098 o 7 4 10 39.357 40.253 12.004 57.200 o 7 4 11 534.859 557.872 30.622 7.158 o 7 4 12 117.149 113.266 14.334 38.536 o 7 4 13 10.087 10.560 8.774 107.835 o 7 5 0 1948.960 1850.000 66.623 1.150 o 7 5 1 1092.640 1094.330 44.425 2.885 o 7 5 2 410.562 408.716 19.410 16.480 o 7 5 3 480.226 439.217 20.417 14.279 o 7 5 4 563.887 565.383 30.264 7.179 o 7 5 5 92.995 97.939 8.310 109.573 o 7 5 6 1110.270 1182.700 35.810 3.679 o 7 5 7 95.546 98.067 10.778 67.453 o 7 5 8 417.195 416.149 26.417 10.017 o 7 5 9 256.440 271.492 28.610 9.548 o 7 5 10 81.339 97.414 12.772 49.225 o 7 5 11 51.098 61.081 10.932 68.261 o 7 5 12 112.801 125.805 15.405 33.548 o 7 5 13 26.402 31.567 12.772 50.758 o 7 6 0 2.314 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3.366 733.594 o 7 8 1 152.823 147.310 14.101 38.450 o 7 8 2 589.426 570.458 27.848 8.041 o 7 8 3 57.748 64.533 9.517 89.070 o 7 8 4 345.396 341.361 21.882 14.615 o 7 8 5 262.086 257.405 26.368 11.129 o 7 8 6 110.843 119.615 22.961 15.475 o 7 8 7 78.373 74.283 15.754 32.891 o 7 8 8 195.156 170.028 27.232 10.820 o 7 8 9 21.783 21.038 7.306 154.683 o 7 8 10 710.728 799.795 37.705 4.522 o 7 8 11 31.109 33.116 8.903 103.836 o 7 8 12 259.414 278.722 34.119 6.825 o 7 9 0 25.719 29.417 7.132 161.640 o 7 9 1 569.228 572.205 29.363 7.494 o 7 9 2 327.652 306.844 21.787 15.035 o 7 9 3 37.225 48.810 8.845 104.514 o 7 9 4 112.716 99.769 12.548 49.954 o 7 9 5 371.150 352.135 23.968 12.304 o 7 9 6 97.089 93.881 13.971 41.102 o 7 9 7 156.876 200.704 18.835 22.040 o 7 9 8 129.843 150.663 16.696 28.368 o 7 9 9 68.561 55.151 10.248 76.855 o 7 9 10 167.231 188.164 19.159 21.304 o 7 9 11 109.633 105.607 21.562 17.540 o 7 10 0 417.515 437.018 28.116 8.966 o 7 10 1 38.179 27.205 7.315 152.745 o 7 10 2 18.194 21.172 6.791 179.132 o 7 10 3 359.045 330.826 24.051 12.382 o 7 10 4 131.756 144.559 16.086 30.465 o 7 10 5 194.251 195.784 20.050 19.292 o 7 10 6 39.684 41.840 9.292 94.884 o 7 10 7 24.476 9.729 6.556 192.081 o 7 10 8 98.898 109.000 15.069 35.365 o 7 10 9 257.098 272.970 23.560 13.684 o 7 10 10 38.853 30.423 15.136 36.122 o 7 11 0 239.108 224.201 20.477 18.031 o 7 11 1 165.596 147.894 16.624 28.105 o 7 11 2 270.826 274.055 22.665 14.585 o 7 11 3 79.183 79.301 12.362 52.739 o 7 11 4 33.809 26.434 7.838 133.644 o 7 11 5 86.490 89.168 19.558 21.402 o 7 11 6 271.954 306.624 24.852 12.246 o 7 11 7 106.459 103.045 14.838 36.357 o 7 11 8 351.944 340.320 26.912 10.182 o 7 12 0 3.755 7.626 5.360 289.124 o 7 12 1 41.508 36.353 9.231 96.170 o 7 12 2 27.599 36.044 9.060 100.382 o 7 12 3 46.891 53.655 10.814 69.972 o 7 12 4 55.442 33.517 15.079 36.267 o 7 12 5 73.656 60.344 14.632 38.169 o 7 12 6 101.944 107.447 16.072 31.186 o 7 12 7 93.539 111.486 16.264 30.550 o 7 13 0 337.628 382.296 40.834 4.717 o 7 13 1 64.360 79.934 13.725 43.277 o 7 13 2 262.897 291.966 25.671 11.617 o 7 13 3 32.197 29.204 8.871 104.626 o 7 13 4 11.686 7.100 5.124 315.637 o 8 0 0 4026.040 3937.870 87.137 0.422 o 8 0 1 480.781 448.388 20.626 14.014 o 8 0 2 1357.260 1364.600 36.062 3.074 o 8 0 3 142.528 156.855 12.393 48.869 o 8 0 4 984.190 914.856 28.945 5.401 o 8 0 5 86.620 90.420 9.032 95.049 o 8 0 6 1112.840 1050.540 52.200 2.290 o 8 0 7 20.061 26.048 9.459 92.499 o 8 0 8 1394.320 1503.940 65.159 1.433 o 8 0 9 30.318 28.688 6.703 182.252 o 8 0 10 33.806 35.678 7.786 135.080 o 8 0 11 0.275 -1.329 4.055 505.295 o 8 0 12 415.863 392.570 25.930 10.405 o 8 0 13 17.452 17.225 9.667 88.708 o 8 0 14 347.824 340.036 36.693 5.784 o 8 1 0 56.230 56.015 7.678 135.475 o 8 1 1 204.461 197.483 13.914 37.000 o 8 1 2 598.625 640.415 25.846 8.723 o 8 1 3 3061.490 2915.140 52.752 0.859 o 8 1 4 102.696 100.683 9.533 84.133 o 8 1 5 582.773 585.679 44.638 3.692 o 8 1 6 131.992 135.448 19.276 21.585 o 8 1 7 0.399 14.886 9.603 90.107 o 8 1 8 89.360 93.596 16.886 28.521 o 8 1 9 357.279 334.247 21.506 14.968 o 8 1 10 109.289 113.925 12.883 47.413 o 8 1 11 349.376 375.894 24.284 12.095 o 8 1 12 42.485 44.222 8.752 106.531 o 8 1 13 144.406 154.931 23.426 14.699 o 8 2 0 8.911 7.508 4.917 342.951 o 8 2 1 565.978 506.269 22.494 11.349 o 8 2 2 574.924 556.818 39.242 4.654 o 8 2 3 77.335 62.339 8.264 115.006 o 8 2 4 119.279 115.331 10.626 67.309 o 8 2 5 34.896 45.253 10.644 72.634 o 8 2 6 140.184 126.648 18.126 24.264 o 8 2 7 443.037 436.735 34.666 6.159 o 8 2 8 200.982 201.786 24.161 13.525 o 8 2 9 538.332 542.858 27.167 8.664 o 8 2 10 84.125 66.108 9.627 85.407 o 8 2 11 2.852 7.816 4.069 501.387 o 8 2 12 32.850 26.928 9.925 83.757 o 8 3 0 120.368 129.280 11.579 57.074 o 8 3 1 242.620 234.003 10.966 50.716 o 8 3 2 620.374 629.561 25.574 8.757 o 8 3 3 569.268 541.095 23.568 10.476 o 8 3 4 262.558 253.180 16.140 26.673 o 8 3 5 19.313 13.294 4.231 458.495 o 8 3 6 27.316 37.926 11.211 65.749 o 8 3 7 176.647 172.074 22.846 15.243 o 8 3 8 327.499 303.125 19.423 18.279 o 8 3 9 236.098 233.283 27.063 10.732 o 8 3 10 606.756 594.791 43.420 3.846 o 8 3 11 16.564 26.804 10.756 71.646 o 8 3 12 364.292 479.151 40.261 4.766 o 8 4 0 309.395 287.663 13.301 33.756 o 8 4 1 1714.420 1674.170 54.895 1.595 o 8 4 2 348.355 333.271 14.087 28.868 o 8 4 3 239.786 228.497 18.880 20.843 o 8 4 4 38.891 32.378 7.347 151.114 o 8 4 5 528.996 520.830 23.610 10.827 o 8 4 6 78.556 71.344 14.259 40.006 o 8 4 7 1632.920 1617.050 69.074 1.226 o 8 4 8 75.269 81.196 16.483 30.085 o 8 4 9 264.234 281.674 29.904 8.752 o 8 4 10 17.251 24.297 9.498 91.825 o 8 4 11 154.388 140.884 22.090 16.456 o 8 4 12 132.604 135.014 21.770 17.049 o 8 5 0 5.270 5.218 2.518 1306.960 o 8 5 1 155.158 151.405 10.222 67.860 o 8 5 2 706.014 748.922 32.955 5.616 o 8 5 3 124.860 136.562 9.595 79.418 o 8 5 4 844.050 828.199 58.636 2.092 o 8 5 5 222.568 217.174 16.060 28.182 o 8 5 6 245.747 287.198 29.915 8.785 o 8 5 7 85.778 59.797 14.359 39.444 o 8 5 8 288.715 305.067 31.471 7.869 o 8 5 9 52.216 38.214 12.534 52.328 o 8 5 10 836.885 895.444 55.255 2.302 o 8 5 11 256.965 260.454 30.801 8.317 o 8 5 12 280.471 226.194 28.999 9.305 o 8 6 0 16.300 12.769 4.431 419.652 o 8 6 1 4.411 8.773 3.883 550.183 o 8 6 2 109.219 126.451 12.140 52.793 o 8 6 3 65.105 70.699 8.930 99.945 o 8 6 4 5.265 6.014 2.982 932.054 o 8 6 5 49.537 49.938 6.429 192.371 o 8 6 6 797.195 795.693 50.368 2.753 o 8 6 7 18.717 17.042 8.246 121.783 o 8 6 8 20.285 12.389 9.261 96.626 o 8 6 9 230.384 245.657 29.568 9.069 o 8 6 10 39.319 42.087 12.839 50.043 o 8 6 11 0.432 5.858 6.682 186.115 o 8 6 12 288.348 319.452 35.189 6.363 o 8 7 0 10.993 4.586 6.852 176.774 o 8 7 1 210.559 238.821 38.388 5.502 o 8 7 2 268.056 266.838 18.416 21.120 o 8 7 3 176.597 170.477 14.917 33.834 o 8 7 4 104.184 88.873 13.099 46.420 o 8 7 5 209.567 217.223 17.382 24.713 o 8 7 6 77.497 93.007 18.119 24.921 o 8 7 7 65.724 83.965 17.803 25.900 o 8 7 8 123.077 108.669 20.082 20.079 o 8 7 9 228.300 226.272 29.004 9.438 o 8 7 10 11.972 5.915 4.508 407.503 o 8 7 11 215.466 193.632 27.800 10.314 o 8 7 12 96.889 120.123 22.368 16.339 o 8 8 0 900.360 973.988 36.809 4.147 o 8 8 1 59.476 68.451 9.896 82.373 o 8 8 2 49.637 67.703 10.091 79.780 o 8 8 3 37.777 39.892 8.326 117.981 o 8 8 4 46.446 41.601 15.644 33.749 o 8 8 5 2.959 2.043 3.574 650.252 o 8 8 6 556.575 543.657 44.278 3.791 o 8 8 7 8.939 41.921 12.900 49.852 o 8 8 8 508.892 548.554 46.091 3.565 o 8 8 9 58.934 58.511 15.480 34.307 o 8 8 10 35.109 47.538 14.608 38.734 o 8 8 11 28.815 24.271 10.855 70.189 o 8 9 0 51.421 45.767 9.557 89.167 o 8 9 1 77.349 82.526 11.757 58.129 o 8 9 2 211.832 211.619 18.558 21.961 o 8 9 3 492.482 552.023 29.767 7.658 o 8 9 4 12.333 16.980 6.160 218.160 o 8 9 5 343.579 382.634 25.526 11.109 o 8 9 6 6.551 5.483 7.059 166.696 o 8 9 7 131.732 140.141 23.779 14.349 o 8 9 8 57.994 45.056 13.989 41.997 o 8 9 9 264.805 231.823 31.200 8.129 o 8 9 10 73.035 52.883 15.300 35.003 o 8 10 0 117.705 108.425 13.737 41.829 o 8 10 1 446.941 452.037 27.891 8.930 o 8 10 2 30.949 26.539 7.461 147.526 o 8 10 3 9.327 9.798 5.685 256.641 o 8 10 4 131.752 136.222 15.718 31.898 o 8 10 5 271.713 285.519 23.275 13.859 o 8 10 6 23.169 24.702 7.536 145.246 o 8 10 7 202.326 217.579 20.682 18.051 o 8 10 8 53.148 25.692 11.986 57.262 o 8 10 9 72.720 70.669 17.799 25.910 o 8 11 0 63.777 79.101 12.613 51.081 o 8 11 1 56.654 62.117 11.270 64.125 o 8 11 2 431.555 419.875 28.755 8.607 o 8 11 3 144.828 186.103 19.321 21.180 o 8 11 4 428.028 443.968 29.885 8.025 o 8 11 5 84.691 89.363 13.588 43.679 o 8 11 6 44.891 67.257 24.019 14.353 o 8 11 7 10.918 14.080 7.302 155.536 o 8 12 0 45.544 57.936 11.174 65.579 o 8 12 1 162.528 185.725 19.976 19.738 o 8 12 2 3.215 -0.685 8.282 121.158 o 8 12 3 39.809 45.650 10.334 76.871 o 8 12 4 2.997 4.928 6.156 219.237 o 8 12 5 233.108 254.161 23.757 13.666 o 8 13 0 25.889 13.986 7.166 160.706 o 9 0 1 1.034 -0.694 2.536 1291.710 o 9 0 2 650.459 705.529 29.454 6.886 o 9 0 3 390.599 395.023 20.863 15.058 o 9 0 4 206.627 209.236 15.228 31.412 o 9 0 5 826.496 903.888 50.377 2.690 o 9 0 6 1.430 -0.042 5.177 310.057 o 9 0 7 43.887 35.652 11.391 63.425 o 9 0 8 245.853 247.500 28.351 9.779 o 9 0 9 121.693 114.267 19.627 20.985 o 9 0 10 969.457 1016.890 40.850 3.455 o 9 0 11 338.887 344.405 24.422 12.140 o 9 0 12 325.999 359.168 25.866 11.004 o 9 0 13 128.231 103.514 20.557 19.170 o 9 1 0 81.238 58.888 8.403 111.191 o 9 1 1 869.504 853.888 31.001 5.439 o 9 1 2 142.132 152.524 13.158 43.921 o 9 1 3 108.395 84.179 9.842 79.527 o 9 1 4 24.084 24.395 5.457 274.974 o 9 1 5 144.122 121.038 18.920 22.336 o 9 1 6 231.136 219.099 25.772 11.816 o 9 1 7 290.034 326.344 31.693 7.740 o 9 1 8 13.906 31.550 10.915 69.587 o 9 1 9 290.116 296.963 31.422 7.898 o 9 1 10 320.986 339.848 23.561 13.058 o 9 1 11 68.124 91.579 19.169 22.351 o 9 1 12 4.927 -1.073 3.893 548.182 o 9 2 0 37.297 39.530 6.977 166.935 o 9 2 1 156.382 174.283 14.024 38.355 o 9 2 2 45.868 49.710 8.180 121.160 o 9 2 3 363.977 348.999 19.777 16.998 o 9 2 4 46.149 38.296 10.637 72.524 o 9 2 5 46.925 37.165 12.214 55.175 o 9 2 6 125.011 139.790 20.975 18.355 o 9 2 7 36.384 14.701 7.033 165.868 o 9 2 8 223.372 178.037 24.115 13.525 o 9 2 9 156.146 167.975 15.952 30.340 o 9 2 10 248.761 237.396 19.285 19.908 o 9 2 11 162.813 187.082 26.307 11.636 o 9 2 12 273.676 307.818 34.143 6.771 o 9 3 0 696.441 688.929 28.700 6.989 o 9 3 1 168.476 160.108 23.128 14.955 o 9 3 2 505.384 518.324 24.680 10.308 o 9 3 3 42.891 52.697 8.162 121.801 o 9 3 4 117.647 109.418 11.275 60.599 o 9 3 5 12.226 13.986 7.810 135.955 o 9 3 6 696.371 685.062 45.888 3.365 o 9 3 7 201.636 254.641 28.788 9.605 o 9 3 8 537.411 587.851 43.758 3.869 o 9 3 9 132.790 153.745 23.413 14.762 o 9 3 10 24.443 12.547 8.265 121.090 o 9 3 11 23.465 20.935 9.689 88.166 o 9 3 12 180.141 208.745 28.549 9.866 o 9 4 0 72.478 59.968 8.876 100.946 o 9 4 1 40.177 41.301 7.563 142.175 o 9 4 2 161.853 137.632 13.069 44.028 o 9 4 3 1388.450 1319.240 40.474 2.722 o 9 4 4 166.883 159.555 13.968 38.544 o 9 4 5 366.580 353.401 32.621 7.142 o 9 4 6 413.915 457.407 37.947 5.262 o 9 4 7 226.322 202.316 25.826 11.819 o 9 4 8 193.098 186.755 25.534 12.228 o 9 4 9 419.053 357.485 35.440 6.037 o 9 4 10 13.257 14.189 9.857 85.420 o 9 4 11 294.261 339.934 35.829 6.127 o 9 4 12 62.737 69.330 16.764 29.239 o 9 5 0 843.093 857.215 33.790 4.926 o 9 5 1 5.522 6.762 4.157 480.240 o 9 5 2 326.639 333.452 20.990 15.901 o 9 5 3 142.585 143.799 13.836 40.157 o 9 5 4 412.244 426.489 23.692 11.987 o 9 5 5 38.911 50.072 12.949 49.159 o 9 5 6 282.692 292.359 31.376 7.942 o 9 5 7 181.356 169.098 23.979 13.878 o 9 5 8 379.055 389.473 37.599 5.451 o 9 5 9 130.278 144.905 23.721 14.414 o 9 5 10 190.138 225.697 29.338 9.320 o 9 5 11 95.551 100.410 19.944 20.523 o 9 5 12 580.088 578.549 48.306 3.211 o 9 6 0 36.115 24.839 9.723 87.174 o 9 6 1 130.715 132.391 14.131 39.060 o 9 6 2 273.484 234.765 18.224 21.663 o 9 6 3 138.259 154.163 14.941 34.789 o 9 6 4 377.271 399.243 23.733 12.303 o 9 6 5 55.692 73.640 16.154 31.500 o 9 6 6 241.039 245.500 29.385 9.152 o 9 6 7 83.048 70.706 16.605 29.633 o 9 6 8 76.924 67.006 16.518 30.006 o 9 6 9 141.128 149.501 24.090 13.943 o 9 6 10 131.503 127.502 22.640 15.818 o 9 6 11 27.007 24.010 10.627 73.258 o 9 7 0 11.687 14.889 4.090 493.155 o 9 7 1 474.956 496.825 21.363 13.132 o 9 7 2 281.767 264.663 34.044 6.830 o 9 7 3 51.655 45.221 8.660 108.129 o 9 7 4 137.731 139.065 14.703 36.027 o 9 7 5 230.162 209.633 27.398 10.540 o 9 7 6 98.544 78.077 17.210 27.466 o 9 7 7 591.304 590.939 47.544 3.290 o 9 7 8 48.414 55.499 15.737 33.294 o 9 7 9 56.268 60.149 16.028 32.037 o 9 7 10 25.032 13.488 8.833 106.057 o 9 7 11 137.998 128.752 23.873 14.237 o 9 8 0 27.817 30.129 10.502 74.927 o 9 8 1 272.611 264.512 19.881 18.447 o 9 8 2 404.986 425.985 66.635 1.819 o 9 8 3 27.181 25.109 11.088 67.303 o 9 8 4 888.969 915.634 63.722 1.779 o 9 8 5 130.866 111.922 21.453 17.607 o 9 8 6 177.364 173.408 26.494 11.456 o 9 8 7 212.907 180.944 27.182 10.794 o 9 8 8 119.946 100.451 20.732 18.907 o 9 8 9 54.934 43.907 14.364 39.896 o 9 8 10 267.348 260.196 33.846 6.932 o 9 9 0 13.202 10.287 4.683 377.040 o 9 9 1 154.639 170.895 16.907 27.223 o 9 9 2 309.885 304.648 22.519 14.350 o 9 9 3 69.742 76.784 11.651 59.494 o 9 9 4 4.787 3.829 6.456 199.334 o 9 9 5 305.526 273.964 33.422 7.025 o 9 9 6 102.392 106.040 21.794 17.201 o 9 9 7 357.344 340.318 38.767 5.205 o 9 9 8 157.914 166.632 27.283 10.878 o 9 9 9 27.406 17.033 10.273 78.425 o 9 10 0 6.436 3.326 11.375 64.218 o 9 10 1 240.594 209.417 19.485 19.794 o 9 10 2 28.720 28.538 9.242 96.598 o 9 10 3 114.553 98.013 13.230 45.153 o 9 10 4 85.519 71.642 17.699 26.117 o 9 10 5 100.952 85.468 19.934 20.555 o 9 10 6 566.976 634.435 53.787 2.633 o 9 10 7 102.489 124.908 24.214 13.956 o 9 11 0 297.591 298.929 27.356 10.188 o 9 11 1 57.877 53.460 10.552 73.049 o 9 11 2 58.254 53.319 10.746 70.485 o 9 11 3 160.954 183.542 19.525 20.634 o 9 11 4 40.858 46.798 14.291 40.415 o 9 11 5 185.936 185.143 30.411 8.739 o 9 11 6 355.046 400.682 44.594 3.971 o 9 12 0 63.167 67.816 12.385 53.080 o 9 12 1 135.084 122.398 16.773 28.236 o 9 12 2 112.435 108.651 15.641 32.716 o 10 0 0 34.549 29.780 8.735 107.759 o 10 0 1 181.415 192.315 15.732 30.388 o 10 0 2 0.754 -1.653 3.953 531.812 o 10 0 3 330.415 331.861 20.509 16.498 o 10 0 4 53.452 52.764 8.402 114.258 o 10 0 5 24.198 26.698 10.831 70.557 o 10 0 6 599.393 681.021 47.641 3.237 o 10 0 7 0.861 -8.905 9.857 85.535 o 10 0 8 6.659 16.782 10.925 69.587 o 10 0 9 839.506 823.869 54.650 2.364 o 10 0 10 35.053 41.834 9.126 98.528 o 10 0 11 60.941 55.849 10.709 70.819 o 10 0 12 248.798 240.930 21.885 15.831 o 10 1 0 279.330 256.216 18.248 21.364 o 10 1 1 148.000 152.090 14.205 37.999 o 10 1 2 298.011 295.730 19.562 18.480 o 10 1 3 128.817 132.065 13.009 45.651 o 10 1 4 39.640 42.163 7.182 157.336 o 10 1 5 202.191 230.827 27.086 10.826 o 10 1 6 312.222 305.506 31.821 7.656 o 10 1 7 128.733 171.781 24.357 13.651 o 10 1 8 608.874 610.883 47.099 3.324 o 10 1 9 170.268 159.291 24.053 13.860 o 10 1 10 35.253 25.738 15.519 34.395 o 10 1 11 88.008 74.996 12.163 54.230 o 10 1 12 34.185 55.996 15.604 33.952 o 10 2 0 196.726 211.283 16.676 26.902 o 10 2 1 36.039 24.288 6.059 221.656 o 10 2 2 27.527 31.878 6.516 192.813 o 10 2 3 126.549 131.990 14.839 35.714 o 10 2 4 466.219 488.104 24.943 10.489 o 10 2 5 22.892 27.109 10.116 80.855 o 10 2 6 354.419 449.725 38.967 5.093 o 10 2 7 166.635 210.386 27.154 10.903 o 10 2 8 12.096 16.457 9.472 92.492 o 10 2 9 85.614 96.163 19.360 21.822 o 10 2 10 171.019 165.718 25.017 12.833 o 10 2 11 55.194 67.400 17.228 27.752 o 10 2 12 414.439 430.004 42.326 4.317 o 10 3 0 30.249 34.224 7.486 146.337 o 10 3 1 395.997 405.827 23.436 12.400 o 10 3 2 622.354 588.009 28.167 7.720 o 10 3 3 477.458 494.119 25.740 9.899 o 10 3 4 560.019 601.234 46.126 3.496 o 10 3 5 235.854 216.897 26.681 11.054 o 10 3 6 215.047 228.781 28.394 9.861 o 10 3 7 158.161 176.831 25.796 12.116 o 10 3 8 64.856 57.076 15.204 35.499 o 10 3 9 34.762 32.464 11.286 64.799 o 10 3 10 192.402 173.627 26.295 11.579 o 10 3 11 14.393 1.797 5.536 270.484 o 10 3 12 130.864 129.529 23.838 14.300 o 10 4 0 292.220 294.149 20.454 17.189 o 10 4 1 255.970 240.663 26.623 10.985 o 10 4 2 1191.170 1227.690 45.880 2.594 o 10 4 3 5.556 10.226 3.298 761.451 o 10 4 4 91.533 100.698 14.802 36.792 o 10 4 5 148.986 136.722 22.065 16.529 o 10 4 6 1.453 -0.278 6.409 202.354 o 10 4 7 162.881 184.913 26.024 11.885 o 10 4 8 226.680 290.471 33.252 7.212 o 10 4 9 93.798 92.263 19.730 20.993 o 10 4 10 952.524 1058.000 64.583 1.692 o 10 4 11 65.550 72.761 17.449 26.986 o 10 5 0 36.290 36.887 7.597 141.507 o 10 5 1 199.660 203.004 17.329 25.116 o 10 5 2 152.393 159.075 15.529 32.051 o 10 5 3 71.221 78.196 10.984 66.616 o 10 5 4 29.055 33.316 7.312 153.411 o 10 5 5 347.402 347.749 34.896 6.347 o 10 5 6 280.744 319.053 34.449 6.637 o 10 5 7 255.072 280.870 32.616 7.443 o 10 5 8 89.647 145.415 24.140 14.047 o 10 5 9 8.709 9.886 8.758 108.255 o 10 5 10 108.471 89.716 19.299 21.847 o 10 5 11 81.806 63.853 16.840 28.862 o 10 6 0 247.007 260.691 20.244 18.152 o 10 6 1 453.938 445.624 26.504 9.698 o 10 6 2 210.173 209.065 26.516 11.284 o 10 6 3 184.953 186.164 20.098 19.326 o 10 6 4 39.488 22.070 6.130 216.187 o 10 6 5 71.031 52.017 14.174 40.725 o 10 6 6 74.739 91.999 19.501 21.575 o 10 6 7 106.091 100.956 20.286 19.798 o 10 6 8 229.734 219.380 29.867 8.927 o 10 6 9 75.185 75.574 18.656 23.586 o 10 6 10 106.046 118.818 22.635 15.933 o 10 7 0 148.314 124.825 14.719 35.879 o 10 7 1 188.758 168.615 16.987 26.491 o 10 7 2 76.807 81.378 12.138 54.683 o 10 7 3 874.855 924.481 39.445 3.850 o 10 7 4 43.836 44.635 8.984 101.125 o 10 7 5 228.491 246.411 31.359 8.107 o 10 7 6 508.981 491.217 44.566 3.815 o 10 7 7 15.837 18.942 10.027 82.474 o 10 7 8 110.212 128.195 23.719 14.508 o 10 7 9 242.211 237.946 31.951 7.805 o 10 8 0 602.170 603.111 33.005 6.089 o 10 8 1 339.445 323.596 39.013 5.172 o 10 8 2 300.827 293.286 23.038 13.891 o 10 8 3 516.485 478.559 29.463 7.835 o 10 8 4 35.603 48.844 9.665 87.832 o 10 8 5 320.678 355.360 38.217 5.382 o 10 8 6 189.507 166.355 27.016 11.008 o 10 8 7 50.194 59.083 16.935 28.764 o 10 8 8 220.992 205.999 30.606 8.549 o 10 9 0 87.435 78.229 12.707 49.803 o 10 9 1 88.377 69.429 11.634 59.168 o 10 9 2 67.309 71.639 11.834 57.861 o 10 9 3 165.894 170.793 23.522 14.464 o 10 9 4 201.465 210.642 19.946 19.346 o 10 9 5 8.158 11.244 9.337 95.267 o 10 9 6 149.479 140.761 25.423 12.542 o 10 9 7 81.060 100.397 22.258 16.580 o 10 10 0 97.227 79.495 13.042 47.104 o 10 10 1 46.867 52.786 11.220 65.080 o 10 10 2 91.856 100.729 14.672 37.418 o 10 10 3 87.184 108.064 16.377 30.229 o 10 10 4 87.482 90.501 21.247 18.170 o 10 10 5 136.874 148.263 27.220 10.994 o 10 10 6 32.674 32.430 13.513 45.311 o 10 11 0 34.412 29.979 8.852 104.959 o 10 11 1 181.225 222.086 22.459 15.587 o 10 11 2 164.185 128.620 27.095 11.055 o 10 11 3 71.530 88.430 25.650 12.545 o 11 0 1 586.740 579.292 33.254 6.089 o 11 0 2 4.757 7.546 5.792 247.564 o 11 0 3 241.579 226.283 18.013 22.652 o 11 0 4 30.277 39.323 8.015 127.704 o 11 0 5 556.463 560.593 44.953 3.682 o 11 0 6 107.840 102.906 20.145 20.056 o 11 0 7 347.939 374.571 38.127 5.361 o 11 0 8 28.893 32.182 11.806 59.338 o 11 0 9 60.619 76.911 18.045 25.265 o 11 0 10 11.612 10.694 5.321 292.518 o 11 0 11 5.554 9.770 10.616 73.714 o 11 1 0 3.503 3.442 3.022 909.156 o 11 1 1 57.953 55.108 9.226 94.881 o 11 1 2 1011.250 1016.890 71.078 1.425 o 11 1 3 5.817 5.973 2.985 930.178 o 11 1 4 619.703 618.165 29.543 7.141 o 11 1 5 19.617 28.532 10.943 69.175 o 11 1 6 47.801 22.875 8.219 120.908 o 11 1 7 103.846 95.709 19.485 21.451 o 11 1 8 13.589 15.210 8.068 127.362 o 11 1 9 2.616 -3.027 7.057 166.846 o 11 1 10 438.578 370.779 39.546 4.902 o 11 1 11 20.941 29.079 12.061 56.967 o 11 2 0 146.779 123.798 19.448 21.152 o 11 2 1 456.403 486.485 26.682 9.476 o 11 2 2 18.736 13.307 10.794 71.192 o 11 2 3 40.411 33.660 8.803 105.744 o 11 2 4 99.037 104.832 25.932 12.218 o 11 2 5 160.129 123.576 20.980 18.195 o 11 2 6 650.104 708.408 51.679 2.760 o 11 2 7 341.955 341.464 36.506 5.847 o 11 2 8 279.432 276.490 33.361 7.092 o 11 2 9 126.347 85.503 19.293 21.764 o 11 2 10 23.497 29.249 12.272 55.007 o 11 2 11 3.127 0.845 4.709 374.685 o 11 3 0 579.161 600.355 30.095 7.125 o 11 3 1 847.995 844.326 36.934 4.355 o 11 3 2 251.244 261.767 19.899 18.666 o 11 3 3 795.975 801.368 34.926 4.881 o 11 3 4 49.461 45.895 17.491 27.009 o 11 3 5 589.892 595.382 46.713 3.395 o 11 3 6 279.063 284.603 33.568 7.003 o 11 3 7 65.859 61.048 15.760 33.043 o 11 3 8 83.234 110.268 21.836 17.197 o 11 3 9 250.970 288.839 34.810 6.573 o 11 3 10 36.836 39.800 13.370 46.211 o 11 4 0 321.092 309.915 22.137 14.670 o 11 4 1 160.591 163.757 16.040 29.992 o 11 4 2 152.326 164.508 16.318 29.176 o 11 4 3 303.242 300.086 54.913 2.694 o 11 4 4 165.780 145.719 22.892 15.299 o 11 4 5 32.292 35.679 12.177 55.729 o 11 4 6 828.619 869.371 58.007 2.129 o 11 4 7 15.834 10.903 9.333 95.252 o 11 4 8 261.041 293.597 34.654 6.612 o 11 4 9 96.417 61.447 16.392 30.316 o 11 4 10 26.880 9.621 6.801 178.368 o 11 5 0 0.202 6.498 5.227 304.124 o 11 5 1 87.114 96.996 24.871 13.302 o 11 5 2 93.823 79.060 11.904 56.267 o 11 5 3 393.919 410.585 25.860 10.522 o 11 5 4 23.185 13.908 9.951 83.665 o 11 5 5 282.058 358.187 37.523 5.616 o 11 5 6 310.142 318.097 36.059 6.046 o 11 5 7 13.096 23.331 10.669 72.883 o 11 5 8 56.685 74.159 18.838 23.224 o 11 5 9 84.648 79.297 19.320 21.957 o 11 6 0 226.242 208.914 19.156 20.579 o 11 6 1 207.838 178.699 25.793 11.956 o 11 6 2 177.843 152.249 16.376 28.666 o 11 6 3 380.903 413.677 26.793 9.961 o 11 6 4 7.174 3.539 4.879 348.687 o 11 6 5 141.924 136.130 23.775 14.325 o 11 6 6 250.293 264.953 33.251 7.195 o 11 6 7 122.430 122.776 23.758 14.433 o 11 6 8 86.750 96.623 20.822 18.900 o 11 6 9 30.502 27.454 12.577 52.317 o 11 7 0 84.193 86.805 20.900 18.790 o 11 7 1 328.324 339.909 24.833 11.865 o 11 7 2 285.054 272.055 29.108 9.162 o 11 7 3 53.734 59.902 10.820 69.578 o 11 7 4 196.050 245.849 31.922 7.890 o 11 7 5 136.962 127.218 23.429 14.775 o 11 7 6 4.311 18.509 10.614 73.725 o 11 7 7 88.204 106.114 22.412 16.326 o 11 7 8 313.202 292.283 36.471 5.931 o 11 8 0 8.562 8.238 3.784 578.068 o 11 8 1 308.441 312.824 24.766 12.111 o 11 8 2 60.073 61.676 10.820 69.340 o 11 8 3 55.177 65.688 11.784 58.739 o 11 8 4 67.678 62.691 16.896 28.779 o 11 8 5 98.906 113.889 23.464 14.873 o 11 8 6 28.790 51.417 17.558 26.870 o 11 8 7 541.999 644.849 56.126 2.443 o 11 9 0 0.387 1.382 3.739 594.387 o 11 9 1 38.572 32.444 8.525 112.783 o 11 9 2 73.988 92.388 14.228 40.088 o 11 9 3 90.555 98.564 17.615 26.227 o 11 9 4 27.433 24.788 10.360 77.055 o 11 9 5 7.346 -2.235 7.824 135.727 o 11 10 0 3.098 -7.118 7.411 151.311 o 11 10 1 80.186 87.219 14.225 40.049 o 11 10 2 74.918 67.378 12.437 52.382 o 12 0 0 89.554 116.192 19.659 21.103 o 12 0 1 969.950 970.994 39.673 3.632 o 12 0 2 108.282 116.361 17.801 25.475 o 12 0 3 805.883 827.811 83.602 1.109 o 12 0 4 79.528 71.843 17.231 27.572 o 12 0 5 694.269 756.298 54.536 2.472 o 12 0 6 10.582 17.404 10.332 77.755 o 12 0 7 100.851 113.256 22.539 16.094 o 12 0 8 0.791 9.556 8.874 105.523 o 12 0 9 53.661 51.887 16.256 31.198 o 12 1 0 554.475 570.879 30.585 7.083 o 12 1 1 20.492 25.535 7.112 163.117 o 12 1 2 6.387 4.926 5.569 267.768 o 12 1 3 307.263 350.152 23.782 12.904 o 12 1 4 37.788 26.885 11.505 62.370 o 12 1 5 106.680 115.224 21.938 16.948 o 12 1 6 1043.440 962.669 62.492 1.772 o 12 1 7 0.722 3.988 6.383 203.972 o 12 1 8 221.832 198.303 29.864 8.969 o 12 1 9 27.363 24.860 10.813 70.755 o 12 2 0 348.861 366.801 24.782 11.710 o 12 2 1 296.216 273.846 21.456 15.871 o 12 2 2 268.687 283.891 21.786 15.636 o 12 2 3 304.944 309.203 22.589 14.292 o 12 2 4 38.187 33.678 12.819 50.260 o 12 2 5 398.281 413.461 40.340 4.747 o 12 2 6 93.813 82.739 17.931 25.362 o 12 2 7 10.674 -0.031 6.242 213.061 o 12 2 8 32.128 36.747 13.631 44.521 o 12 2 9 55.406 83.753 19.287 22.152 o 12 3 0 69.902 72.943 11.247 63.770 o 12 3 1 718.452 708.248 34.701 5.220 o 12 3 2 17.873 11.307 4.297 445.536 o 12 3 3 354.649 399.891 25.963 10.685 o 12 3 4 5.760 -3.815 6.827 178.264 o 12 3 5 431.053 387.177 39.617 4.886 o 12 3 6 62.202 47.577 15.029 36.393 o 12 3 7 590.118 621.485 51.887 2.802 o 12 3 8 38.731 39.060 15.414 34.812 o 12 3 9 119.606 134.728 25.203 12.845 o 12 4 0 92.322 115.270 14.322 39.072 o 12 4 1 36.469 40.008 8.848 104.712 o 12 4 2 261.310 272.410 27.870 10.012 o 12 4 3 20.257 30.252 7.732 138.045 o 12 4 4 486.654 532.713 45.994 3.603 o 12 4 5 4.515 -2.688 6.522 195.363 o 12 4 6 0.577 2.869 5.838 243.794 o 12 4 7 57.388 75.281 18.990 22.852 o 12 4 8 121.471 129.119 24.775 13.287 o 12 5 0 54.610 55.092 10.282 76.952 o 12 5 1 371.132 413.341 27.458 9.590 o 12 5 2 58.855 57.480 10.416 74.810 o 12 5 3 86.405 90.472 16.062 31.500 o 12 5 4 1.889 -10.299 8.676 110.402 o 12 5 5 28.402 21.611 10.787 71.102 o 12 5 6 0.041 1.049 4.857 352.241 o 12 5 7 378.767 430.293 45.047 3.869 o 12 5 8 50.921 77.120 21.115 18.528 o 12 6 0 75.491 65.598 12.522 51.696 o 12 6 1 49.016 48.209 13.838 42.995 o 12 6 2 309.863 342.182 25.520 11.396 o 12 6 3 238.168 288.454 23.208 14.135 o 12 6 4 105.248 113.446 22.081 16.742 o 12 6 5 148.757 209.226 30.316 8.835 o 12 6 6 180.307 202.525 30.550 8.656 o 12 6 7 78.976 98.683 22.214 16.654 o 12 7 0 174.366 168.538 19.801 20.043 o 12 7 1 47.202 48.843 10.323 76.742 o 12 7 2 209.305 203.061 20.338 18.624 o 12 7 3 58.950 68.817 11.995 56.605 o 12 7 4 118.711 133.408 24.737 13.329 o 12 7 5 38.453 61.571 18.040 25.411 o 12 7 6 454.600 493.745 48.499 3.300 o 12 8 0 121.034 127.959 16.658 28.752 o 12 8 1 24.198 5.628 8.641 110.933 o 12 8 2 12.977 13.193 5.936 234.968 o 12 8 3 540.601 613.495 53.355 2.691 o 12 8 4 26.375 38.883 14.895 37.340 o 12 9 0 135.004 138.836 26.443 11.650 o 12 9 1 106.208 102.287 15.485 33.492 o 13 0 1 812.874 825.878 38.803 4.130 o 13 0 2 113.056 117.267 26.118 12.008 o 13 0 3 449.240 506.355 45.298 3.746 o 13 0 4 25.323 24.134 11.121 66.942 o 13 0 5 69.966 85.149 19.748 21.080 o 13 0 6 22.233 39.749 13.643 44.506 o 13 0 7 382.010 392.509 43.120 4.214 o 13 0 8 13.890 22.336 12.015 57.486 o 13 1 0 6.360 3.195 6.896 174.696 o 13 1 1 92.122 105.775 14.133 40.182 o 13 1 2 7.229 5.817 7.583 144.438 o 13 1 3 90.160 98.312 20.340 19.775 o 13 1 4 132.880 110.809 21.740 17.150 o 13 1 5 140.125 133.440 24.640 13.371 o 13 1 6 50.278 74.808 18.964 22.944 o 13 1 7 108.204 137.350 25.622 12.459 o 13 1 8 209.239 206.499 31.509 8.102 o 13 2 0 43.024 32.792 8.687 108.412 o 13 2 1 2.270 13.175 6.310 208.564 o 13 2 2 124.033 125.523 15.392 33.419 o 13 2 3 232.921 213.707 29.760 8.988 o 13 2 4 45.639 35.554 13.216 47.212 o 13 2 5 28.709 51.722 16.410 30.748 o 13 2 6 126.241 124.488 24.248 13.852 o 13 2 7 105.155 134.964 25.494 12.591 o 13 3 0 70.261 69.871 11.572 60.380 o 13 3 1 261.882 253.151 21.840 15.743 o 13 3 2 33.849 31.997 7.920 130.732 o 13 3 3 401.717 414.754 41.507 4.497 o 13 3 4 46.920 55.266 15.576 33.994 o 13 3 5 84.908 115.542 23.054 15.437 o 13 3 6 261.253 288.671 36.692 5.929 o 13 3 7 4.592 19.692 11.047 68.062 o 13 4 0 396.154 419.530 28.357 8.956 o 13 4 1 46.217 79.038 12.378 53.380 o 13 4 2 166.862 159.681 27.989 10.338 o 13 4 3 10.509 -1.321 7.042 167.478 o 13 4 4 104.559 101.225 20.989 18.523 o 13 4 5 94.390 112.286 22.940 15.566 o 13 4 6 512.324 526.568 50.152 3.058 o 13 5 0 12.739 14.745 6.040 226.936 o 13 5 1 104.208 106.371 14.745 36.810 o 13 5 2 206.532 194.447 19.704 19.818 o 13 5 3 518.634 581.559 51.158 2.928 o 13 5 4 47.461 35.337 12.218 55.145 o 13 5 5 51.324 57.883 17.962 25.588 o 13 5 6 37.878 39.148 14.397 39.879 o 13 6 0 20.203 30.153 7.731 138.077 o 13 6 1 244.789 231.483 23.720 13.704 o 13 6 2 148.027 163.685 18.735 22.532 o 13 6 3 152.335 133.018 25.939 12.062 o 13 6 4 120.222 108.111 22.402 16.229 o 13 7 0 0.930 0.381 5.999 230.893 o 13 7 1 181.269 195.896 20.959 17.850 o 13 7 2 492.081 513.163 37.992 5.091 o 14 0 0 260.840 291.171 34.513 6.665 o 14 0 1 263.972 266.912 23.282 13.960 o 14 0 2 536.773 528.638 38.319 4.933 o 14 0 3 638.724 723.003 56.945 2.321 o 14 0 4 10.375 1.729 6.486 197.339 o 14 0 5 60.205 52.471 15.937 32.398 o 14 1 0 26.775 27.215 7.299 154.412 o 14 1 1 137.653 141.864 17.130 26.974 o 14 1 2 52.691 59.757 12.681 50.949 o 14 1 3 273.931 312.657 37.607 5.628 o 14 1 4 155.225 209.166 31.422 8.227 o 14 1 5 22.461 31.971 13.544 45.184 o 14 2 0 264.513 260.455 23.087 14.193 o 14 2 1 42.785 47.756 18.539 24.075 o 14 2 2 93.865 100.697 14.405 38.739 o 14 2 3 25.557 21.413 11.818 59.320 o 14 2 4 19.391 32.383 14.754 38.104 o 14 2 5 135.992 183.942 29.830 9.159 o 14 3 0 0.513 -4.930 5.321 293.476 o 14 3 1 17.259 10.055 8.466 115.678 o 14 3 2 322.680 358.189 27.328 9.992 o 14 3 3 81.969 81.739 20.291 19.937 o 14 3 4 234.154 251.698 34.611 6.693 o 14 4 0 44.651 44.226 9.994 81.977 o 14 4 1 281.565 289.255 24.976 12.131 o 14 4 2 156.359 175.067 19.398 20.967 o 14 4 3 68.370 39.801 14.718 37.904 o 14 5 0 98.706 95.806 14.757 36.933 o ; _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: Thakkar IAM PARTITIONING: NoSpherA2 INT ACCURACY: Normal METHOD: B3LYP BASIS SET: def2-SVP CHARGE: 0 MULTIPLICITY: 1 DATE: 2022-11-10_23-38-32 ; _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.052 _oxdiff_exptl_absorpt_empirical_full_min 0.964 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,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 Ca1 Ca 0.81362(3) 0.31706(2) 0.82363(2) 0.00727(5) Uani 1.000000 . H4 H 0.850(3) 0.673(2) 0.531(2) 0.043(7) Uiso 1.000000 . O1 O 0.94451(11) 0.53115(9) 0.83031(10) 0.01074(18) Uani 1.000000 . O1L O 0.77380(12) 0.33649(10) 0.58997(9) 0.0132(2) Uani 1.000000 . H1La H 0.769(2) 0.42209(11) 0.5695(3) 0.040(7) Uiso 1.000000 GR H1Lb H 0.8488(8) 0.3064(17) 0.55133(9) 0.042(7) Uiso 1.000000 GR O2 O 0.96425(11) 0.75928(10) 0.78540(9) 0.01074(18) Uani 1.000000 . O3 O 0.66235(11) 0.52548(9) 0.78744(10) 0.00992(18) Uani 1.000000 . H3 H 0.591(3) 0.542(2) 0.828(2) 0.034(6) Uiso 1.000000 . O4 O 0.77241(11) 0.63909(10) 0.54689(9) 0.00935(18) Uani 1.000000 . O5 O 0.44998(11) 0.76155(10) 0.69400(9) 0.01052(18) Uani 1.000000 . O6 O 0.51262(11) 0.73128(10) 0.49063(10) 0.01197(19) Uani 1.000000 . C1 C 0.89205(15) 0.64929(13) 0.79890(12) 0.0078(2) Uani 1.000000 . C2 C 0.72799(15) 0.65938(12) 0.77498(12) 0.0075(2) Uani 1.000000 . H2 H 0.684(2) 0.7225(17) 0.8340(17) 0.016(4) Uiso 1.000000 . C3 C 0.70208(15) 0.72074(12) 0.64313(12) 0.0077(2) Uani 1.000000 . H3a H 0.747(2) 0.8157(18) 0.6406(16) 0.012(4) Uiso 1.000000 . C4 C 0.54104(15) 0.73717(12) 0.60873(12) 0.0078(2) Uani 1.000000 . O1W O 0.42774(16) 0.57382(14) 0.93680(13) 0.0255(3) Uani 1.000000 . H1Wa H 0.384(2) 0.647(2) 0.9326(19) 0.025(6) Uiso 1.000000 . H1Wb H 0.405(3) 0.539(2) 0.997(2) 0.037(7) Uiso 1.000000 . O2L O 0.81005(14) 0.06224(10) 0.83655(11) 0.0144(2) Uani 1.000000 . H2La H 0.735(3) 0.018(2) 0.853(2) 0.027(6) Uiso 1.000000 . H2Lb H 0.855(3) 0.022(3) 0.783(2) 0.052(8) Uiso 1.000000 . O2W O 0.42804(14) 0.41576(12) 0.57599(12) 0.0171(2) Uani 1.000000 . H2Wa H 0.464(3) 0.442(2) 0.509(3) 0.050(8) Uiso 1.000000 . H2Wb H 0.488(3) 0.397(3) 0.626(3) 0.046(8) Uiso 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 Ca1 0.00641(10) 0.00794(9) 0.00746(10) -0.00008(9) -0.00010(9) 0.00018(8) O1 0.0080(4) 0.0095(4) 0.0147(5) 0.0013(3) -0.0012(4) 0.0013(3) O1L 0.0126(5) 0.0160(5) 0.0110(4) 0.0036(4) 0.0017(4) 0.0004(4) O2 0.0091(5) 0.0100(4) 0.0132(4) -0.0028(4) -0.0004(4) 0.0004(3) O3 0.0075(5) 0.0086(4) 0.0138(4) -0.0009(3) 0.0016(4) 0.0023(3) O4 0.0067(4) 0.0129(4) 0.0084(4) 0.0007(3) 0.0019(4) -0.0007(3) O5 0.0079(4) 0.0134(4) 0.0102(4) 0.0016(4) 0.0017(4) -0.0003(3) O6 0.0087(4) 0.0193(5) 0.0080(4) 0.0035(4) -0.0008(4) -0.0006(3) C1 0.0074(6) 0.0105(5) 0.0057(5) -0.0002(4) -0.0001(4) -0.0011(4) C2 0.0069(5) 0.0077(5) 0.0080(5) -0.0005(4) 0.0006(4) 0.0005(4) C3 0.0073(6) 0.0083(4) 0.0076(5) 0.0006(4) 0.0004(4) 0.0002(4) C4 0.0076(6) 0.0064(4) 0.0093(5) 0.0000(4) -0.0000(4) 0.0007(4) O1W 0.0273(7) 0.0248(6) 0.0245(7) 0.0106(5) 0.0139(6) 0.0111(5) O2L 0.0108(5) 0.0116(4) 0.0208(5) -0.0008(4) 0.0038(5) -0.0004(4) O2W 0.0132(5) 0.0203(5) 0.0179(5) 0.0007(4) 0.0024(5) 0.0064(4) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00347 0.00161 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' Ca 0.23320 0.31634 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' H 0.00000 0.00000 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' O 0.01158 0.00611 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u _diffrn_refln_scale_group_code 0 0 -2 236973 1679.85 4 0 0 2 243639 1943.94 2 0 0 2 236825 1210.51 1 0 0 3 12.3614 31.0193 1 0 0 -3 -13.1837 59.5249 4 0 0 -4 3584.97 298.45 4 0 0 4 3691.22 212.761 1 0 0 4 3759.21 342.957 2 0 0 5 54.3254 96.086 2 0 0 5 -4.00656 34.9268 1 0 0 -5 -90.5211 92.0867 4 0 0 6 102779 1319.66 1 0 0 6 97290.4 2213.64 2 0 0 -6 101926 1925.2 4 0 0 7 110.738 55.0601 1 0 0 7 77.1962 146.833 2 0 0 8 215832 2064.19 1 0 0 8 200206 3733.25 2 0 0 9 170.261 187.563 2 0 0 10 16981.6 1259.95 2 0 0 11 357.871 269.06 2 0 0 12 9109.6 1040.76 2 0 0 13 -213.571 266.26 2 0 0 14 2191.07 558.904 2 0 0 15 117.119 269.654 2 0 0 16 177.601 243.495 2 0 0 17 -337.75 371.111 2 0 -1 0 145.476 43.9498 3 0 1 0 108.588 40.0966 1 0 -1 1 137986 1231.07 2 0 1 -1 136742 1317.78 4 0 -1 1 136026 1265.77 3 0 1 2 6783.23 303.191 2 0 -1 2 6768.74 358.562 2 0 1 2 7023.23 275.68 1 0 1 -2 6649.95 354.848 4 0 1 3 54810.6 1076.46 2 0 -1 3 55324.6 1223.88 2 0 1 -3 53279.4 1152.91 4 0 1 3 55618.2 831.517 1 0 -1 4 256679 2991.3 2 0 1 4 257168 2740.55 2 0 1 4 264389 1983.52 1 0 1 -4 254902 2818.18 4 0 -1 5 105362 1371.1 1 0 1 -5 103173 1950.98 4 0 1 5 106749 2001.05 2 0 1 5 108734 1352.14 1 0 -1 5 102710 2132.59 2 0 1 6 49587.6 968.816 1 0 1 -6 46527.3 1434.48 4 0 -1 6 49301.2 1001.08 1 0 1 6 47032.1 1482.82 2 0 -1 6 48412.4 1609.88 2 0 -1 7 156106 3126.04 2 0 -1 7 159311 1846.68 1 0 1 7 155133 2950.64 2 0 1 -7 155035 2788.14 4 0 1 7 161155 1816.71 1 0 1 -8 148.403 93.5428 4 0 1 8 507.293 228.687 2 0 1 8 434.11 104.748 1 0 -1 8 462.673 197.425 2 0 -1 8 351.614 96.728 1 0 1 9 50284.8 1967.42 2 0 1 -9 52198.1 1822.94 4 0 -1 9 51688.6 2091.97 2 0 1 10 595.463 243.127 2 0 -1 10 573.784 286.054 2 0 -1 11 31708.3 1856.49 2 0 1 11 31470.3 1764.78 2 0 1 12 1229.35 406.425 2 0 -1 12 2106.69 532.65 2 0 -1 13 13709.8 1384 2 0 1 13 15010 1386.27 2 0 1 14 307.381 287.954 2 0 -1 14 468.283 348.374 2 0 1 15 2789.21 670.554 2 0 -1 15 2520.39 689.637 2 0 -1 16 2023.8 611.194 2 0 1 16 1721.54 571.22 2 0 1 17 24317.4 2124.98 2 0 -1 17 26114.5 2276.69 2 0 1 18 2659.18 765.712 2 0 2 0 367724 2588.51 1 0 -2 0 349486 2519.1 3 0 -2 1 11038.2 401.735 2 0 2 -1 11396.3 477.952 4 0 -2 1 11660.8 478.957 3 0 2 1 11064.5 451.934 1 0 -2 -1 11110.3 477.441 3 0 -2 2 15060.4 575.143 2 0 2 2 17175.8 446.249 2 0 -2 2 16435.9 624.61 3 0 2 2 16677 571.598 1 0 2 -2 17036.8 663.37 4 0 -2 3 17305.9 726.021 2 0 2 3 16144.5 578.93 1 0 2 -3 17652.7 744.675 4 0 2 3 17000.4 572.706 2 0 2 -4 5435.02 463.419 4 0 -2 4 5636.53 474.332 2 0 2 4 5447.69 384.856 2 0 2 4 5964.93 368.716 1 0 2 -5 33617.7 1229.2 4 0 -2 5 34020.1 1267.43 2 0 2 5 33924.1 904.886 1 0 2 5 34138.6 1096.37 2 0 -2 6 36360.1 1434.74 2 0 2 6 35139.6 963.995 1 0 2 -6 34538.6 1330.63 4 0 2 6 34116.5 1214.53 2 0 2 -7 1059.86 253.566 4 0 2 7 935.497 161.016 1 0 2 7 881.48 238.928 2 0 -2 7 564.944 129.784 1 0 -2 7 778.949 272.611 2 0 2 8 282.325 97.2144 1 0 -2 8 151.506 184.437 2 0 2 8 58.9544 128.167 2 0 2 -8 115.602 117.962 4 0 -2 8 355.813 113.123 1 0 2 9 24293.6 1329.3 2 0 2 -9 25919.3 1368.5 4 0 -2 9 25490.8 1517.23 2 0 2 10 23533.3 1415.39 2 0 2 -10 24675.5 1408.89 4 0 -2 10 24320.3 1573.57 2 0 2 11 3225.64 579.226 2 0 -2 11 2723.35 522.494 2 0 -2 12 -128.497 281.788 2 0 2 12 81.5885 160.92 2 0 2 13 45579.8 2346.84 2 0 -2 13 39991.8 2386.93 2 0 2 14 5676.14 877.563 2 0 -2 14 5269.61 920.424 2 0 2 15 955.309 414.149 2 0 -2 15 1800.61 585.422 2 0 -2 16 2348.4 718.83 2 0 2 16 2139.63 598.562 2 0 2 17 2958.83 739.945 2 0 -2 17 4929.99 1028.01 2 0 -3 0 -9.6853 70.2543 3 0 3 1 374955 3241.14 1 0 -3 1 376973 3230.59 3 0 3 -1 375841 3240.76 4 0 -3 1 376397 2625.52 2 0 -3 -1 376921 3292.07 3 0 3 -2 174.353 112.343 4 0 -3 2 433.104 114.983 2 0 -3 -2 61.5964 80.6778 3 0 -3 2 296.951 113.031 3 0 3 2 183.841 88.6036 1 0 -3 3 10681.8 603.433 2 0 3 -3 10368.1 643.504 4 0 3 3 10656.6 433.055 2 0 -3 3 9745.91 601.886 3 0 3 3 10740.4 560.719 1 0 3 -4 238154 3307.95 4 0 -3 4 234658 3155.62 2 0 3 4 242583 2734.24 1 0 3 4 239882 2439.18 2 0 3 5 1735.63 239.164 1 0 -3 5 1878.84 306.107 2 0 3 5 1970.93 265.466 2 0 3 -5 1936.08 325.843 4 0 3 6 5672.47 439.855 1 0 -3 6 5124.69 571.697 2 0 3 6 4426.64 437.072 2 0 3 -6 5239.18 560.109 4 0 3 7 1424.41 272.983 2 0 3 -7 1801.18 363.325 4 0 3 7 1553.16 237.418 1 0 -3 7 1617.45 356.867 2 0 3 -8 12544.4 964.536 4 0 3 8 12257.5 851.49 2 0 -3 8 11812.5 997.534 2 0 3 8 12510.7 672.354 1 0 3 -9 75.7264 144.701 4 0 -3 9 282.925 243.9 2 0 3 9 142.469 169.708 2 0 -3 10 16151.8 1315.48 2 0 3 -10 17421.6 1245.24 4 0 3 10 15091.2 1104.25 2 0 3 -11 19677.3 1388.02 4 0 3 11 20685.7 1369.7 2 0 -3 11 20633.9 1564.43 2 0 -3 12 14763.3 1394.06 2 0 3 12 11670.5 1109.51 2 0 3 13 214.133 272.097 2 0 -3 13 -73.6654 325.195 2 0 -3 14 10.4592 193.834 2 0 3 14 840.248 359.38 2 0 3 15 1801.16 480.48 2 0 -3 15 4142 928.514 2 0 -3 16 8161.47 1260.09 2 0 -3 17 1971.83 698.26 2 0 -4 0 90856.3 1828.39 3 0 4 1 291980 3334.79 1 0 -4 1 305010 3357.44 3 0 -4 -1 295830 3372.42 3 0 4 -1 305680 3331.19 4 0 -4 1 301161 2592.6 2 0 4 -2 108880 2136.53 4 0 -4 2 108800 1791 2 0 4 2 111353 2070.46 1 0 -4 2 106318 2072.26 3 0 -4 -2 110262 2156.52 3 0 -4 3 2191.54 310.743 3 0 4 -3 1585.88 297.972 4 0 4 3 2343.38 317.368 1 0 -4 3 2265.3 308.477 2 0 -4 -3 1660.38 300.687 3 0 -4 -4 3147.48 431.782 3 0 -4 4 2698.29 366.085 2 0 4 4 3212.85 359.936 1 0 4 -4 2426.54 362.561 4 0 -4 4 2959.56 417.324 3 0 4 5 73837.5 1734.23 1 0 4 5 71649.4 1494.66 2 0 -4 5 78380.7 2063.21 2 0 4 -5 72411.9 2106.79 4 0 -4 6 54381.3 1863.39 2 0 4 -6 55413.6 1948.09 4 0 4 6 53562.8 1441.71 2 0 4 6 56210.5 1537.32 1 0 4 -7 115078 2946.19 4 0 4 7 117508 2278.47 1 0 -4 7 121227 2995.7 2 0 4 7 111273 2323.14 2 0 4 8 14901.8 823.841 1 0 4 8 14085.4 899.431 2 0 4 -8 14173.4 1079.72 4 0 -4 8 13625.5 1095.29 2 0 4 9 26040.9 1302.86 2 0 4 -9 24153.8 1473.57 4 0 -4 9 23839.4 1524.72 2 0 4 -10 14107.2 1189.15 4 0 4 10 15509.7 1102.5 2 0 -4 10 16031.4 1332.9 2 0 4 -11 8035.53 939.343 4 0 4 11 9902.96 940.007 2 0 -4 11 9954.55 1101.44 2 0 -4 12 398.747 289.071 2 0 4 -12 443.574 334.321 4 0 4 12 73.8759 201.284 2 0 4 13 44290.6 2219.2 2 0 -4 13 43004.3 2561.84 2 0 -4 14 1979.88 612.069 2 0 -4 15 8415.59 1253.95 2 0 -4 16 60.1545 290.335 2 0 -4 17 41.6117 254.23 2 0 -5 0 67.8359 121.172 3 0 -5 1 679.45 141.502 2 0 5 -1 614.935 181.628 4 0 -5 1 618.248 210.976 3 0 -5 -1 513.437 187.742 3 0 -5 2 84736.7 2046.3 3 0 -5 -2 83070.5 2086.72 3 0 5 -2 86742.6 2100.13 4 0 -5 2 85868.4 1692.21 2 0 5 2 83117.9 2019.1 1 0 5 -3 114.494 110.078 4 0 -5 -3 163.921 103.985 3 0 -5 3 -17.7223 155.647 3 0 5 3 152.707 109.077 1 0 -5 3 100.016 90.7889 2 0 5 -4 116848 2728.14 4 0 -5 4 117092 2579.84 3 0 -5 4 117923 2442.49 2 0 5 4 114368 2409.22 1 0 -5 -4 118879 2728.85 3 0 -5 5 9481.84 754.146 2 0 5 -5 9151.93 805.978 4 0 5 5 7970.08 639.997 1 0 -5 -5 7854.5 740.25 3 0 5 -6 38380.1 1725.97 4 0 5 6 38896.3 1426.33 1 0 5 6 41704.6 1233.94 2 0 -5 6 38745 1643.2 2 0 5 7 14292.7 795.622 2 0 5 7 13132 846.422 1 0 -5 7 13010.7 1024.26 2 0 5 -7 13658.5 1090.82 4 0 -5 8 10708.6 975.904 2 0 5 8 10079.3 753.34 2 0 5 -8 9502.88 948.045 4 0 5 8 10876.9 777.428 1 0 -5 9 43920.7 2107.55 2 0 5 9 47104.3 1729.64 2 0 5 10 34950.8 1615.43 2 0 5 -10 35060.2 1959.83 4 0 -5 10 30975.9 1886.2 2 0 -5 11 173.801 198.83 2 0 5 -11 851.189 348.119 4 0 5 11 903.65 280.099 2 0 -5 12 10532.6 1257.51 2 0 5 -12 10788.8 1184.72 4 0 -5 13 350.606 349.641 2 0 5 -13 316.852 214.187 4 0 -5 14 2159.62 645.264 2 0 -5 15 2493.98 732.172 2 0 -5 16 8436.46 1333.83 2 0 -6 0 750.575 135.033 2 0 -6 0 1061.62 277.466 3 0 6 0 1152.95 251.162 4 0 6 -1 147.398 136.721 4 0 -6 1 148.587 74.3581 2 0 -6 -1 186.655 180.371 3 0 -6 1 29.9387 124.852 3 0 -6 2 44423 1287.77 2 0 -6 2 47458.5 1681.33 3 0 -6 -2 47516.2 1734.56 3 0 6 -2 48019.8 1704.11 4 0 6 3 3437.11 462.569 1 0 6 -3 2833.98 425.997 4 0 -6 3 2998.78 452.042 3 0 -6 -3 2920.49 445.259 3 0 -6 3 3065.48 382.136 2 0 -6 4 395.718 185.161 2 0 6 -4 68.4174 137.594 4 0 6 4 296.33 189.833 1 0 -6 -4 223.326 146.446 3 0 -6 4 319.058 206.787 3 0 6 5 11783.8 859.699 1 0 -6 -5 10233.1 907.987 3 0 -6 5 10440.6 873.302 3 0 -6 5 10168.8 812.9 2 0 6 -5 11359.7 954.352 4 0 6 6 11932.1 868.686 1 0 -6 6 11482 921.902 2 0 -6 -6 10538.3 954.949 3 0 6 -6 10606.9 986.654 4 0 -6 -7 20998.1 1410.94 3 0 6 7 19886.4 1133.51 1 0 -6 7 19038.8 1264.57 2 0 6 -7 18331.2 1327.42 4 0 -6 -8 15276.4 1275.89 3 0 -6 8 15405.9 1213.38 2 0 6 -8 16027.2 1308.17 4 0 6 8 16338.6 1049.23 1 0 -6 9 4005.21 677.535 2 0 -6 -9 2857.85 626.814 3 0 6 -9 3205.81 616.985 4 0 -6 10 -131.063 199.206 2 0 6 -10 -12.2381 313.806 4 0 -6 11 2547.21 612.749 2 0 6 -11 1877.86 498.88 4 0 -6 12 3522.88 746.956 2 0 6 -12 3794.32 758.541 4 0 6 -13 3415.4 743.936 4 0 -6 13 1612.01 553.55 2 0 -6 14 14492.7 1591.87 2 0 -6 -15 6261.72 1111.88 3 0 -6 15 7307.59 1192.64 2 0 -6 -16 860.331 466.012 3 0 -6 16 839.945 508.79 2 0 7 0 77.9853 96.8111 4 0 -7 0 -65.4144 71.5992 2 0 -7 0 -19.3645 149.457 3 0 -7 -1 2584.49 439.571 3 0 -7 -1 2397.99 214.93 2 0 7 1 3200.41 429.466 4 0 7 -1 2155.54 385.948 4 0 -7 1 2942.21 469.026 3 0 -7 1 3274.52 337.829 2 0 -7 2 4611.49 441.427 2 0 -7 2 3972.99 525.71 3 0 7 -2 2894.09 456.248 4 0 -7 -2 3457.51 532.554 3 0 -7 3 11730.4 768.82 2 0 7 -3 14095.3 1045.33 4 0 -7 3 14298.2 1027.59 3 0 -7 -3 13268.4 1027.68 3 0 -7 4 35322.6 1443.59 2 0 7 -4 34726 1694.58 4 0 -7 -4 35477.6 1725.87 3 0 -7 4 38146.6 1710.92 3 0 -7 5 5836.23 698.872 3 0 -7 -5 4779.44 683.097 3 0 7 -5 5791.77 760.164 4 0 -7 5 5195.18 593.189 2 0 -7 6 3094.69 509.052 2 0 -7 -6 3225.99 574.278 3 0 7 -6 4418.11 684.883 4 0 7 -7 1356.63 420.61 4 0 -7 7 848.402 292.803 2 0 -7 -7 1698.28 498.56 3 0 -7 -8 6609.99 883.783 3 0 -7 8 7120.23 854.954 2 0 7 -8 5547.03 817.56 4 0 -7 9 43471.7 2203.17 2 0 -7 -9 45064.5 2363.93 3 0 7 -9 45134 2380.87 4 0 -7 10 4348.24 743.735 2 0 -7 -10 3892.03 760.748 3 0 7 -10 4403.2 790.117 4 0 7 -11 4845.06 832.613 4 0 -7 11 4999.24 850.741 2 0 -7 -11 4547.59 827.895 3 0 -7 -12 3780.78 815.982 3 0 -7 12 5177.55 933.455 2 0 7 -12 3066.31 727.085 4 0 -7 -13 818.918 424.096 3 0 7 -13 350.107 308.916 4 0 -7 13 329.441 345.937 2 0 -7 -14 659.802 310.745 3 0 7 -14 1026.46 484.251 4 0 -7 14 867.644 399.925 2 0 -7 15 3111.36 796.335 2 0 -7 -15 3435.58 895.937 3 0 -8 0 14532.1 1090.84 3 0 -8 0 16124.3 683.946 2 0 8 0 14999.7 1019.75 4 0 -8 -1 27934.4 1530.58 3 0 -8 1 28005.3 1515.52 3 0 8 -1 25650.7 1396 4 0 8 1 29611 1376.92 4 0 -8 1 28340.7 1031.55 2 0 -8 2 4894.76 479.841 2 0 8 -2 5181.22 675.893 4 0 -8 2 4312.35 601.454 3 0 -8 -2 3747.16 591.578 3 0 8 2 4665.41 528.073 4 0 -8 3 27947.7 1236.05 2 0 8 3 28480.5 1242.52 4 0 -8 -3 27739.9 1597.6 3 0 -8 3 27601.5 1538.22 3 0 8 -3 26777.7 1553.86 4 0 -8 4 28139.1 1341.1 2 0 -8 4 27709.9 1570.09 3 0 -8 -4 23783.2 1502.53 3 0 8 -4 28675.9 1647.4 4 0 -8 5 15329.8 1066.71 2 0 -8 -5 12410 1132.12 3 0 8 -5 16748.4 1319.89 4 0 -8 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2669.94 3 3 -4 -5 2452.66 389.544 3 -3 -4 5 2612.62 403.617 2 -3 4 -5 2409.78 423.496 4 3 4 5 2710.54 409.036 1 3 4 5 2895.12 280.43 2 3 4 6 50846.5 1793.41 1 -3 -4 6 52998.4 1910.22 2 -3 4 -6 47823.7 1948.61 4 3 4 6 50526.1 1318.94 2 3 -4 -6 49335.5 1835.21 3 3 -4 -7 11312.2 929.886 3 3 4 7 9618.79 799.005 1 -3 -4 7 8951.28 851.971 2 3 4 7 10177.1 664.352 2 3 4 8 27735.2 1383.11 1 -3 -4 8 26714.8 1554.77 2 3 4 9 25447.4 1350.76 1 -3 -4 9 22918 1545.48 2 3 4 9 24137 1226.99 2 -3 -4 10 3916.16 697.643 2 3 4 10 4128.43 566.947 1 3 4 10 3735.45 526.26 2 -3 -4 11 685.757 379.91 2 -3 -4 12 19433.8 1659.11 2 -3 -4 13 459.359 295.097 2 -3 -4 14 17324.1 1717.48 2 -3 -4 15 7299.33 1209.62 2 -3 -4 16 943.475 498.387 2 3 -4 -17 1731.46 636.519 3 3 -5 16 2651.61 751.509 2 3 -5 15 3132.94 780.816 2 3 -5 14 1965.89 638.08 2 3 5 -13 1551.74 439.035 4 3 -5 13 1344.7 525.894 2 3 -5 12 434.799 239.355 2 3 5 -12 765.515 340.624 4 3 -5 11 7663.83 1016.88 2 3 5 -11 8519.69 998.276 4 3 -5 10 2038.17 510.728 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5443.83 1019.85 3 9 -13 -2 18.8296 272.949 3 9 -13 -3 7063.22 1177.55 3 10 0 0 1255.62 368.287 1 10 0 -1 7943.02 911.587 1 10 0 1 8287.06 966.976 1 10 0 -2 79.4958 145.119 1 10 0 2 -253.85 179.156 1 10 0 -3 14166.5 1152.34 1 10 0 3 13760.9 1308.31 1 10 0 -4 1979.21 423.305 1 10 0 4 2652.64 647.045 1 10 0 5 1125.67 456.665 1 10 0 6 28713.8 2008.68 1 10 0 7 -375.466 415.599 1 10 0 8 707.573 460.621 1 10 0 9 34736.7 2304.19 1 10 0 10 1884 530.109 2 10 0 10 1613.64 559.442 1 10 0 11 2508.3 647.514 2 10 0 11 2188.14 629.964 1 10 0 12 9411.41 1281.27 1 10 0 12 10856 1330.02 2 10 0 13 -132.322 354.236 1 10 -1 13 6071.7 1064.25 2 10 -1 13 7044.31 1133.52 1 10 -1 12 2787.35 705.805 2 10 -1 12 1850.66 602.295 1 10 -1 11 3250.43 722.873 2 10 -1 11 3146.56 745.826 1 10 -1 10 697.239 390.362 2 10 -1 10 2743.03 685.357 1 10 -1 9 6706.19 1025.75 1 10 -1 8 28925.2 2095.8 1 10 -1 7 7684.88 1073.3 1 10 -1 6 14124.2 1405.13 1 10 -1 5 9858.08 1171.95 1 10 1 -4 1457.85 368.186 1 10 -1 4 704.743 356.364 1 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892.179 1 10 -7 -1 7612.49 1030.4 1 10 7 1 6563.7 996.253 1 10 7 2 3622.99 782.683 1 10 -7 -2 3272.52 676.366 1 10 -7 -3 39399.8 2253.6 1 10 7 3 38463 2464.47 1 10 -7 -4 1905.88 476.539 1 10 7 4 1840.11 624.211 1 10 7 5 10389.4 1322.17 1 10 7 6 20711.1 1879.03 1 10 7 7 798.667 422.788 1 10 7 8 5405.08 1000.05 1 10 7 9 10032.5 1347.13 1 10 7 10 542.688 320.716 1 10 7 11 8090.87 1259.43 1 10 -8 10 3909.88 918.863 1 10 8 -10 4287.35 941.034 4 10 -8 9 273.657 229.356 1 10 8 -9 293.909 218.88 4 10 -8 8 12219.4 1535.65 1 10 -8 7 2311.78 718.914 1 10 -8 6 6185.27 1073.05 1 10 -8 5 12000.1 1471.02 1 10 8 -4 1538.57 472.219 1 10 -8 4 2502.87 668.257 1 10 -8 3 23438.1 1981.03 1 10 8 -3 22613.3 1789.43 1 10 -8 2 14283.9 1538.22 1 10 8 -2 14218 1437.35 1 10 -8 1 17673.9 1668.4 1 10 8 -1 15722.9 1544.85 1 10 -8 0 26466.6 2001.41 1 10 8 0 24374.3 1936.27 1 10 -8 -1 15241.8 1512.44 1 10 8 1 11952 1378.01 1 10 -8 -2 11934.9 1314.32 1 10 8 2 12847.5 1441.88 1 10 -8 -3 20656.5 1704.43 1 10 8 3 19605.5 1814.3 1 10 -8 -4 1901.63 522.7 1 10 8 4 2264.66 650.626 1 10 8 5 14983 1611.32 1 10 8 6 7014.01 1139.06 1 10 8 7 2491.09 714.012 1 10 8 8 8685.49 1290.43 1 10 8 9 1566.21 625.63 1 10 8 10 3165.7 823.364 1 10 9 -9 3877.63 905.466 4 10 -9 9 4004.01 916.567 1 10 -9 8 318.35 336.235 1 10 9 -8 601.99 406.326 4 10 -9 7 2384.22 695.144 1 10 -9 6 6423.39 1143.44 1 10 -9 5 -117.982 310.712 1 10 -9 4 6759.37 1111.33 1 10 9 -4 7732.25 1082.66 1 10 9 -3 6439.26 1016.36 1 10 -9 3 8430.9 1232.26 1 10 9 -2 2019.19 599.827 1 10 -9 2 3023.78 756.208 1 10 -9 1 2991.1 739.676 1 10 9 -1 4069.85 818.733 1 10 -9 0 3666.96 804.874 1 10 9 0 2931.49 717.928 1 10 -9 -1 2976.4 686.023 1 10 9 1 2874.2 701.642 1 10 -9 -2 3394.28 743.037 1 10 9 2 2623.31 673.363 1 10 9 3 8274.47 1221.89 1 10 -9 -3 6290.97 981.07 1 10 -9 -4 8204.21 1085.24 1 10 9 4 9738.58 1330.52 1 10 9 5 474.095 393.656 1 10 9 6 5934.88 1071.89 1 10 9 7 4233.04 938.469 1 10 9 8 1096.16 515.807 1 10 9 9 2395.73 709.892 1 10 -10 7 3755.92 880.657 1 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4847.51 1010.19 1 10 11 4 12279.9 1606.2 1 10 11 5 426.878 272.497 1 10 12 -3 4556.4 942.046 1 10 12 -2 6412.58 1124.66 1 10 -12 2 6442.62 1182.67 1 10 -12 1 23461.8 2204.23 1 10 12 -1 23670 2184.05 1 10 12 0 -94.8161 215.414 1 10 12 1 29342.6 2475.18 1 10 12 2 4549.82 987.995 1 10 -12 -3 5087.91 983.512 1 11 0 0 36.2469 287.866 1 11 0 -1 25767.6 1750.92 1 11 0 1 22963.4 1724.13 1 11 0 -2 543.076 243.036 1 11 0 2 54.6776 284.682 1 11 0 -3 9422.4 998.196 1 11 0 3 9698.77 1170.3 1 11 0 -4 1572.65 426.67 1 11 0 4 1784.52 553.507 1 11 0 5 23636.2 1895.34 1 11 0 6 4338.81 849.361 1 11 0 7 15793 1607.54 1 11 0 8 1356.9 497.759 1 11 0 9 3242.8 760.84 1 11 0 10 406.196 296.044 2 11 0 10 502.781 343.857 1 11 0 11 976.41 474.942 2 11 0 11 81.1866 278.266 1 11 0 12 2584 721.691 1 11 -1 12 16942.8 1790.55 1 11 -1 12 18415.8 1830.25 2 11 -1 11 407.004 298.361 2 11 -1 11 2790.7 721.52 1 11 -1 10 21792 1963.33 1 11 -1 10 17332.7 1693.34 2 11 -1 9 107.377 283.669 1 11 -1 8 1579.16 545.267 1 11 -1 7 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5121.66 832.848 1 11 5 1 3024.4 650.202 1 11 -5 -2 3759.27 726.284 1 11 5 2 2813.16 694.387 1 11 5 3 16530.2 1587.85 1 11 -5 -3 17953.2 1499.78 1 11 5 4 586.408 419.569 1 11 5 5 15102.2 1582.07 1 11 5 6 13411.9 1520.35 1 11 5 7 983.712 449.821 1 11 5 8 3126.77 794.273 1 11 5 9 3343.4 814.602 1 11 5 10 9069.11 1318.29 1 11 5 11 10174.1 1401.54 1 11 -6 10 4120.88 928.909 1 11 -6 10 5076.54 1037.86 2 11 -6 9 602.95 379.029 1 11 -6 8 4871.77 979.874 1 11 -6 7 6072.34 1081.17 1 11 -6 6 11767.4 1472.83 1 11 -6 5 5948.22 1019.63 1 11 6 -4 236.095 156.923 1 11 -6 4 583.751 357.624 1 11 6 -3 17790.5 1548.79 1 11 -6 3 14967 1581.77 1 11 6 -2 6917.94 976.579 1 11 -6 2 8775.91 1181.33 1 11 -6 1 8614.16 1148.81 1 11 6 -1 9470.83 1162.11 1 11 -6 0 8684.25 1139.88 1 11 6 0 8930.16 1144.61 1 11 6 1 6375.64 1021.65 1 11 -6 -1 8550.67 1107.97 1 11 6 2 6483.6 1021.71 1 11 -6 -2 6364.19 936.694 1 11 6 3 17539.4 1684.22 1 11 -6 -3 17361.2 1523.04 1 11 6 4 149.234 205.723 1 11 6 5 5739.63 1002.44 1 11 6 6 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31887.7 2299.38 1 12 0 6 733.785 435.639 1 12 0 7 4775.18 950.317 1 12 0 8 402.9 374.149 1 12 0 9 2187.72 685.384 1 12 0 10 208.573 332.024 2 12 0 10 228.349 360.711 1 12 0 11 8686.59 1300.6 1 12 -1 11 4621.39 948.095 2 12 -1 11 3587.21 869.384 1 12 -1 10 1654.95 562.803 2 12 -1 10 3217.95 819.395 1 12 -1 9 1711.4 640.734 1 12 -1 8 10572.6 1419.77 1 12 -1 7 284.97 341.462 1 12 -1 6 44836.1 2797.34 1 12 -1 5 5747.76 1013.93 1 12 -1 4 518.41 298.653 1 12 1 -3 15857.8 1379.31 1 12 -1 3 13588.5 1466.01 1 12 1 -2 507.901 324.599 1 12 -1 2 149.457 278.837 1 12 1 -1 1080.09 380.508 1 12 -1 1 2271.94 625.961 1 12 1 0 24617.8 1838.92 1 12 -1 0 23514.9 1808.81 1 12 1 1 915.355 385.65 1 12 -1 -1 1276.04 476.807 1 12 1 2 500.132 320.447 1 12 -1 -2 30.549 194.136 1 12 1 3 14411.4 1497.56 1 12 -1 -3 15037.6 1350.02 1 12 1 4 1133.55 485.078 1 12 1 5 4858.17 924.953 1 12 1 6 40588.9 2634.85 1 12 1 7 168.127 269.121 1 12 1 8 8361.01 1259.15 1 12 1 9 1048.18 455.909 1 12 1 10 3302.32 820.362 1 12 1 11 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3 -3 16238.8 1426.56 1 12 -3 3 16061.1 1624.14 1 12 -3 2 505.914 313.661 1 12 3 -2 890.364 396.974 1 12 3 -1 33432.2 2138.02 1 12 -3 1 30195 2124.25 1 12 -3 0 2624.14 634.076 1 12 3 0 3504.52 714.394 1 12 3 1 30675.4 2137.04 1 12 -3 -1 29105.2 2007.3 1 12 3 2 500.642 240.626 1 12 -3 -2 449.405 275.334 1 12 3 3 15699 1582.38 1 12 -3 -3 17800.7 1515.92 1 12 3 4 -160.845 287.848 1 12 3 5 16324.5 1670.35 1 12 3 6 2006 633.653 1 12 3 7 26203.6 2187.69 1 12 3 8 1646.9 649.891 1 12 3 9 5680.51 1062.65 1 12 3 10 5866.03 1105.06 1 12 -4 10 17626.1 1891.99 2 12 -4 10 17165.8 1888.54 1 12 -4 9 3309.17 841.916 1 12 -4 8 5341.09 1051.75 1 12 -4 7 1956.03 663.64 1 12 -4 6 -169.003 240.711 1 12 -4 5 863.637 496.111 1 12 -4 4 21354.4 1929.42 1 12 -4 3 530.763 331.69 1 12 4 -3 1009.44 371.236 1 12 -4 2 9481.59 1238.41 1 12 4 -2 10882.7 1206.65 1 12 -4 1 1329.71 459.27 1 12 4 -1 1777.43 523.611 1 12 -4 0 4893.49 857.8 1 12 4 0 4826.84 850.195 1 12 -4 -1 1510.2 492.126 1 12 4 1 1878.67 572.033 1 12 4 2 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2978.76 773.936 1 12 7 4 5624.85 1042.97 1 12 7 5 2595.99 760.612 1 12 7 6 20817.7 2044.87 1 12 7 7 2140.97 743.501 1 12 -8 6 7537.73 1251.16 1 12 -8 5 874.653 469.558 1 12 -8 4 1408.76 541.448 1 12 8 -3 25368.3 2043.38 1 12 -8 3 20383.8 2012.52 1 12 8 -2 146.156 206.335 1 12 -8 2 937.278 465.582 1 12 -8 1 1070.81 516.374 1 12 8 -1 823.702 383.662 1 12 -8 0 5802.01 1017.27 1 12 8 0 4961.72 970.931 1 12 -8 -1 -79.4689 307.91 1 12 8 1 649.201 400.438 1 12 8 2 619.378 342.88 1 12 -8 -2 488.832 366.203 1 12 8 3 25866.7 2249.59 1 12 8 4 1639.41 628.011 1 12 8 5 1107.15 431.92 1 12 8 6 8775.34 1367.67 1 12 -9 4 206.365 333.318 1 12 -9 3 4077.4 921.059 1 12 -9 2 14949.2 1725.94 1 12 9 -2 15320.3 1682.6 1 12 -9 1 4943.14 1001.94 1 12 9 -1 4797.93 955.886 1 12 -9 0 4766.12 944.386 1 12 9 0 6995.97 1172.57 1 12 -9 -1 4746.79 951.153 1 12 9 1 3833.83 897.824 1 12 -9 -2 12721.8 1510.08 1 12 9 2 14012.4 1670.93 1 12 9 3 2949.51 798.02 1 12 9 4 9.06707 213.754 1 12 10 -2 9474.05 1377.25 1 12 10 -1 1178.2 541.199 1 12 -10 1 1499.19 574.573 1 12 10 0 6922.99 1199.14 1 12 -10 0 5038.89 1006.45 1 12 -10 -1 1857.62 598.476 1 12 10 1 1225.58 496.931 1 12 -10 -2 11152.1 1445.92 1 13 0 0 -309.095 304.961 1 13 0 -1 34302.1 2263.45 1 13 0 1 35372.3 2367.43 1 13 0 -2 5950.48 924.509 1 13 0 2 3748.06 800.054 1 13 0 3 21349.4 1909.9 1 13 0 4 1017.58 468.889 1 13 0 5 3590.11 832.624 1 13 0 6 1675.92 575.23 1 13 0 7 16549.3 1818.07 1 13 0 8 941.751 506.581 1 13 0 9 11278.5 1538.39 1 13 -1 10 23799.7 2129.13 2 13 -1 9 547.798 353.606 1 13 -1 8 8665.5 1328.4 1 13 -1 7 5146.89 1037.17 1 13 -1 6 2490.42 713.759 1 13 -1 5 5899.84 1047.66 1 13 -1 4 5121.51 953.666 1 13 -1 3 3132.34 741.328 1 13 1 -2 69.6973 243.274 1 13 -1 2 463.517 332.278 1 13 1 -1 2851.38 663.069 1 13 -1 1 4739.39 884.525 1 13 1 0 -168.935 337.62 1 13 -1 0 412.548 308.892 1 13 1 1 4619.57 869.759 1 13 -1 -1 4308.18 818.013 1 13 1 2 693.122 495.188 1 13 -1 -2 53.675 211.844 1 13 1 3 4145.13 857.592 1 13 1 4 4672.04 916.629 1 13 1 5 5626.21 1038.89 1 13 1 6 3154.13 799.563 1 13 1 7 5791.07 1080.32 1 13 1 8 8706.61 1328.5 1 13 1 9 2213.94 693.69 1 13 -2 9 1203.76 518.871 1 13 -2 8 7051.73 1202.64 1 13 -2 7 5963.47 1123.24 1 13 -2 6 5240.31 1037.31 1 13 -2 5 1084.94 488.471 1 13 -2 4 2194.18 675.144 1 13 -2 3 9666.13 1301.97 1 13 2 -2 4964.94 857.566 1 13 -2 2 4456.6 879.854 1 13 2 -1 90.7118 204.862 1 13 -2 1 16.4442 211.001 1 13 2 0 1539.49 543.359 1 13 -2 0 1239.41 495.876 1 13 2 1 640.611 380.113 1 13 -2 -1 472.059 372.538 1 13 2 2 5054.9 924.792 1 13 -2 -2 5504.04 910.93 1 13 2 3 9010.5 1254.77 1 13 2 4 1499.04 557.237 1 13 2 5 2180.74 691.882 1 13 2 6 5248.77 1022.36 1 13 2 7 5690.47 1074.92 1 13 2 8 8722.6 1325.65 1 13 2 9 1015.93 547.526 1 13 -3 8 2630.53 757.632 1 13 -3 7 209.68 246.939 1 13 -3 6 12816.5 1599.79 1 13 -3 5 4342.64 933.553 1 13 -3 4 2965.91 766.017 1 13 -3 3 17807.3 1784.64 1 13 -3 2 1155.44 486.438 1 13 3 -2 1680.84 524.95 1 13 3 -1 10581.9 1281.12 1 13 -3 1 9357.33 1258.26 1 13 -3 0 2466.85 637.162 1 13 3 0 3433.86 758.614 1 13 3 1 10412.4 1297.11 1 13 -3 -1 10926.5 1307.53 1 13 3 2 1130.24 452.616 1 13 -3 -2 1574.55 494.724 1 13 3 3 17487.2 1750.04 1 13 3 4 2330.19 656.712 1 13 3 5 4871.6 972.041 1 13 3 6 12171.2 1547.04 1 13 3 7 830.287 465.768 1 13 3 8 3137.39 845.74 1 13 -4 8 6549.53 1186.56 1 13 -4 7 825.02 387.615 1 13 -4 6 24125 2220.3 1 13 -4 5 5323.96 1019.3 1 13 -4 4 6015.86 1055.68 1 13 -4 3 -287.479 382.856 1 13 -4 2 8309.09 1223.42 1 13 4 -2 7835.9 1096.84 1 13 -4 1 2381.98 672.442 1 13 4 -1 2194.81 623.287 1 13 4 0 16715.3 1643.93 1 13 -4 0 18667.3 1742.07 1 13 4 1 3833.37 805.015 1 13 -4 -1 2842.8 685.423 1 13 -4 -2 7842.49 1103.49 1 13 4 2 5482.31 979.262 1 13 4 3 -55.7108 296.896 1 13 4 4 4267.94 884.962 1 13 4 5 4734.29 967.216 1 13 4 6 22201.6 2114.55 1 13 4 7 466.879 257.846 1 13 4 8 10371.4 1477.93 1 13 -5 7 741.71 490.669 1 13 -5 6 1695.18 644.59 1 13 -5 5 1175.42 555.41 1 13 -5 4 2912.03 769.231 1 13 -5 3 21350.9 2005.56 1 13 -5 2 8133.76 1228.58 1 13 5 -2 8684.12 1180.99 1 13 -5 1 3480.12 784.489 1 13 5 -1 5208.4 926.009 1 13 -5 0 556.677 378.949 1 13 5 0 680.717 343.921 1 13 -5 -1 4967.66 913.682 1 13 5 1 3963.23 848.362 1 13 -5 -2 8210.72 1143.14 1 13 5 2 8184.65 1209.4 1 13 5 3 24520.2 2156.95 1 13 5 4 1489.89 515.139 1 13 5 5 2440.52 757.307 1 13 5 6 1650.57 607.033 1 13 5 7 746.425 342.21 1 13 -6 6 2471.69 714.082 1 13 -6 5 9227.64 1393.06 1 13 -6 4 6660.28 1197.48 1 13 -6 3 6877.58 1184.2 1 13 -6 2 7723.31 1231.78 1 13 6 -2 4682.48 881.522 1 13 6 -1 10079.5 1304.63 1 13 -6 1 10738.3 1412.59 1 13 -6 0 985.356 400.392 1 13 6 0 1637.28 528.787 1 13 -6 -1 8805.52 1230.3 1 13 6 1 10805.7 1426.57 1 13 -6 -2 7025.37 1087.15 1 13 6 2 6757.32 1149.75 1 13 6 3 5608.43 1093.65 1 13 6 4 4558.28 944.518 1 13 6 5 10432.3 1468.39 1 13 6 6 4613.41 1000.34 1 13 -7 5 7296.93 1252.84 1 13 -7 4 7533.14 1267.29 1 13 -7 3 1107.18 547.95 1 13 7 -2 18178.2 1787.59 1 13 -7 2 24115.5 2172.13 1 13 -7 1 8508.87 1280.34 1 13 7 -1 6461.75 1086.78 1 13 -7 0 206.565 204.111 1 13 7 0 -299.34 337.994 1 13 -7 -1 8447.83 1247.36 1 13 7 1 8060.74 1252.11 1 13 7 2 23331.2 2130.28 1 13 -7 -2 20127.5 1867.01 1 13 7 3 1088.91 551.896 1 13 7 4 4189.91 948.575 1 13 7 5 6437.68 1170.17 1 13 -8 3 2797.77 810.695 1 13 8 -2 3708.09 835.652 1 13 -8 2 5809.91 1086.97 1 13 8 -1 11790.4 1517.55 1 13 -8 1 13968.1 1655.02 1 13 8 0 3550.9 842.129 1 13 -8 0 5695.86 1066.63 1 13 8 1 12691.5 1605.94 1 13 -8 -1 10518.4 1418.97 1 13 8 2 5132.89 1030.06 1 13 -8 -2 4310.87 897.281 1 13 8 3 5395.69 1111.95 1 13 9 -2 16017 1766.63 1 13 9 -1 4609.41 977.673 1 13 9 0 352.932 350.697 1 13 -9 0 -17.1043 326.668 1 13 -9 -1 6112.44 1117.72 1 14 0 0 12276.6 1455.16 1 14 0 -1 10753.4 1350.92 1 14 0 1 11765.4 1428.88 1 14 0 -2 23798.6 1941.16 1 14 0 2 20567.3 1927.08 1 14 0 3 30483.9 2400.98 1 14 0 4 72.9128 273.477 1 14 0 5 2212.32 671.959 1 14 0 6 12702.6 1662.31 1 14 0 7 675.281 447.101 1 14 -1 7 216.338 229.792 1 14 -1 6 5438.35 1068.9 1 14 -1 5 776.701 458.932 1 14 -1 4 8275.51 1299.97 1 14 -1 3 14108.2 1654.43 1 14 1 -2 2774.88 673.636 1 14 -1 2 2110.89 649.427 1 14 1 -1 4976.29 921.905 1 14 -1 1 7535.49 1164.35 1 14 1 0 902.225 377.748 1 14 -1 0 1491.95 530.626 1 14 1 1 5903.87 1035.67 1 14 -1 -1 6052.97 1007.71 1 14 1 2 1964.43 594.154 1 14 -1 -2 3033.8 710.68 1 14 1 3 13182.5 1585.62 1 14 1 4 8819.03 1324.85 1 14 1 5 1347.98 571.035 1 14 1 6 5730.61 1127.69 1 14 1 7 2010.21 714.685 1 14 -2 6 1069.86 516.351 1 14 -2 5 7038.93 1195.63 1 14 -2 4 1212.33 486.462 1 14 -2 3 1105.37 470.19 1 14 -2 2 4280.89 924.46 1 14 2 -2 4440.22 843.87 1 14 2 -1 1674.45 565.562 1 14 -2 1 1583.37 559.198 1 14 2 0 10940 1365.83 1 14 -2 0 11024.1 1387.61 1 14 2 1 1285.31 467.482 1 14 -2 -1 2848.65 713.489 1 14 2 2 4765.95 967.018 1 14 -2 -2 3823.12 780.532 1 14 2 3 902.819 498.262 1 14 2 4 1365.38 622.065 1 14 2 5 7755.53 1257.71 1 14 2 6 1930.82 656.331 1 14 -3 6 778.833 462.925 1 14 -3 5 3232.17 862.385 1 14 -3 4 8541.17 1321.32 1 14 -3 3 3434.58 859.32 1 14 3 -2 12232.1 1405.54 1 14 -3 2 15179.9 1706.66 1 14 -3 1 714.165 371.922 1 14 3 -1 1018.89 438.37 1 14 -3 0 -176.252 325.474 1 14 3 0 -237.962 309.719 1 14 -3 -1 911.089 391.009 1 14 3 1 197.179 182.004 1 14 3 2 15937.9 1734.05 1 14 -3 -2 14369.6 1541.79 1 14 3 3 3446.35 855.549 1 14 3 4 10612.3 1459.29 1 14 3 5 2082.33 650.211 1 14 3 6 2511.72 773.032 1 14 -4 5 4749.67 1010.73 1 14 -4 4 12541.8 1604.36 1 14 -4 3 3281.4 850.276 1 14 4 -2 8053.93 1174.65 1 14 -4 2 5759.9 1052.04 1 14 4 -1 11943.5 1449.32 1 14 -4 1 11393.4 1477.32 1 14 -4 0 1823.25 593.062 1 14 4 0 1905.11 598.771 1 14 4 1 12226.4 1509.36 1 14 -4 -1 12166.7 1469.94 1 14 -4 -2 7295.74 1121.62 1 14 4 2 7476.21 1195.24 1 14 4 3 1678.11 620.565 1 14 4 4 8213.48 1297.19 1 14 4 5 4427.15 975.425 1 14 -5 4 12299.6 1621.9 1 14 -5 3 2515.68 725.351 1 14 5 -2 2744.92 694.766 1 14 -5 2 3339.04 815.533 1 14 5 -1 6134.99 1067.73 1 14 -5 1 5572.71 1048.32 1 14 5 0 4415.9 930.975 1 14 -5 0 3674.27 836.443 1 14 5 1 7389.83 1212.01 1 14 -5 -1 5881.75 1056.73 1 14 5 2 1988.4 636.469 1 14 5 3 1482.82 583.023 1 14 5 4 11665.1 1561.51 1 14 -6 3 5810.95 1102.02 1 14 -6 2 -1.45489 202.845 1 14 6 -1 9295.18 1322.74 1 14 -6 1 9770.89 1397.58 1 14 -6 0 2821.29 739.879 1 14 6 0 1211.64 513.224 1 14 -6 -1 7616.53 1205.08 1 14 6 1 10766.7 1457.8 1 14 6 2 1048.17 552.351 1 14 6 3 4172 945.762 1 14 -7 1 1998.39 634.733 1 14 7 -1 4776.47 972.48 1 14 -7 0 950.205 442.553 1 14 7 0 606.237 454.819 1 14 -7 -1 3526.87 865.327 1 14 7 1 3149.64 802.681 1 15 0 0 714.458 439.393 1 15 0 -1 86.0533 220.886 1 15 0 1 1309.56 493.129 1 15 0 2 28532.9 2378.82 1 15 0 3 5311.14 1072.21 1 15 -1 3 2433.12 708.948 1 15 -1 2 3545.06 850.529 1 15 1 -1 13639.2 1562.81 1 15 -1 1 14237.2 1667.32 1 15 1 0 2460.64 671.149 1 15 -1 0 1844.5 633.673 1 15 1 1 14373.4 1661.75 1 15 -1 -1 12448.9 1502.31 1 15 1 2 3941.79 895.13 1 15 1 3 2778.43 749.512 1 15 -2 3 6491.6 1163.09 1 15 -2 2 2371.95 679.088 1 15 -2 1 3678.1 862.338 1 15 2 -1 2708.41 720.973 1 15 -2 0 577.354 391.879 1 15 2 0 770.46 460.193 1 15 2 1 2252.43 697.241 1 15 -2 -1 2783.51 748.558 1 15 2 2 3018.99 818.143 1 15 2 3 8151.6 1305.46 1 15 -3 2 9059.49 1368.54 1 15 -3 1 3472.83 866.449 1 15 3 -1 3150.52 775.987 1 15 -3 0 6101.32 1097.32 1 15 3 0 4926.02 966.434 1 15 -3 -1 3543.4 846.328 1 15 3 1 2224.02 707.516 1 15 3 2 12939.1 1628.84 1 15 -4 1 3839.23 881.612 1 15 4 -1 5129.3 980.321 1 15 -4 0 4376.2 951.474 1 15 4 0 5074.27 1012.65 1 15 -4 -1 5222.49 1009.44 1 15 4 1 5241.32 1057.02 1 15 5 -1 2646.86 739.971 1 15 -5 -1 530.062 329.7 1 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -5 -2 -4 0.0886 5 2 4 0.0886 -2 -2 -5 0.0982 2 2 5 0.0982 5 0 -4 0.0809 -5 0 4 0.0809 1 -1 -5 0.0907 -1 1 5 0.0907 3 -5 -2 0.0960 -3 5 2 0.0960 0 5 -3 0.1104 0 -5 3 0.1104 5 -5 3 0.1064 -5 5 -3 0.1064 -1 3 -5 0.1166 1 -3 5 0.1166 5 4 1 0.0824 -5 -4 -1 0.0824 -4 -5 -5 0.0974 4 5 5 0.0974 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 O1 Ca1 H4 103.3(5) . 4_665 y O1L Ca1 H4 136.7(5) . 4_665 y O1L Ca1 O1 92.22(4) . . y O2 Ca1 H4 151.8(5) 3_746 4_665 y O2 Ca1 O1 77.61(3) 3_746 . y O2 Ca1 O1L 70.67(3) 3_746 . y O3 Ca1 H4 77.3(5) . 4_665 y O3 Ca1 O1 65.72(3) . . y O3 Ca1 O1L 72.80(3) . . y O3 Ca1 O2 126.17(3) . 3_746 y O4 Ca1 H4 17.5(5) 4_665 4_665 y O4 Ca1 O1 89.22(3) 4_665 . y O4 Ca1 O1L 149.77(4) 4_665 . y O4 Ca1 O2 138.69(4) 4_665 3_746 y O4 Ca1 O3 80.39(3) 4_665 . y O5 Ca1 H4 61.3(5) 3_646 4_665 y O5 Ca1 O1 132.74(3) 3_646 . y O5 Ca1 O1L 78.45(3) 3_646 . y O5 Ca1 O2 137.73(3) 3_646 3_746 y O5 Ca1 O3 67.27(3) 3_646 . y O5 Ca1 O4 78.51(3) 3_646 4_665 y O6 Ca1 H4 77.2(5) 4_665 4_665 y O6 Ca1 O1 79.13(3) 4_665 . y O6 Ca1 O1L 145.95(4) 4_665 . y O6 Ca1 O2 75.30(3) 4_665 3_746 y O6 Ca1 O3 129.73(3) 4_665 . y O6 Ca1 O4 63.75(3) 4_665 4_665 y O6 Ca1 O5 130.89(3) 4_665 3_646 y O2L Ca1 H4 89.0(5) . 4_665 y O2L Ca1 O1 150.06(4) . . y O2L Ca1 O1L 97.32(4) . . y O2L Ca1 O2 78.93(4) . 3_746 y O2L Ca1 O3 144.22(4) . . y O2L Ca1 O4 96.34(4) . 4_665 y O2L Ca1 O5 77.12(4) . 3_646 y O2L Ca1 O6 77.12(4) . 4_665 y O4 H4 Ca1 71.4(16) . 4_664 ? C1 O1 Ca1 124.66(9) . . ? H1La O1L Ca1 109.3 . . ? H1Lb O1L Ca1 109.2 . . ? H1Lb O1L H1La 104.5 . . ? C1 O2 Ca1 134.10(9) . 3_756 ? H3 O3 Ca1 122.7(16) . . ? C2 O3 Ca1 120.51(8) . . ? C2 O3 H3 102.3(16) . . ? H4 O4 Ca1 91.1(17) . 4_664 ? C3 O4 Ca1 115.44(7) . 4_664 ? C3 O4 H4 108.9(17) . . ? C4 O5 Ca1 129.57(9) . 3_656 ? C4 O6 Ca1 125.84(9) . 4_664 ? O2 C1 O1 125.30(13) . . ? C2 C1 O1 118.09(11) . . ? C2 C1 O2 116.61(11) . . ? C1 C2 O3 110.10(10) . . ? H2 C2 O3 109.3(11) . . ? H2 C2 C1 110.4(12) . . ? C3 C2 O3 111.42(10) . . ? C3 C2 C1 109.12(11) . . ? C3 C2 H2 106.4(10) . . ? C2 C3 O4 111.34(10) . . ? H3a C3 O4 106.9(10) . . ? H3a C3 C2 108.0(10) . . ? C4 C3 O4 108.81(10) . . ? C4 C3 C2 113.94(11) . . ? C4 C3 H3a 107.6(10) . . ? O6 C4 O5 125.14(13) . . ? C3 C4 O5 119.60(11) . . ? C3 C4 O6 115.16(11) . . ? H1Wb O1W H1Wa 107(2) . . ? H2La O2L Ca1 122.6(14) . . ? H2Lb O2L Ca1 115.5(19) . . ? H2Lb O2L H2La 109(2) . . ? H2Wb O2W H2Wa 112(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 Ca1 H4 2.66(2) 4_665 y Ca1 O1 2.3790(9) . y Ca1 O1L 2.4990(10) . y Ca1 O2 2.4043(10) 3_746 y Ca1 O3 2.4625(10) . y Ca1 O4 2.5195(10) 4_665 y Ca1 O5 2.4826(10) 3_646 y Ca1 O6 2.4205(11) 4_665 y Ca1 O2L 2.4473(10) . y H4 O4 0.80(3) . ? O1 C1 1.2745(15) . ? O1L H1La 0.8500 . ? O1L H1Lb 0.8499 . ? O2 C1 1.2535(16) . ? O3 H3 0.80(2) . ? O3 C2 1.4242(15) . ? O4 C3 1.4352(16) . ? O5 C4 1.2496(16) . ? O6 C4 1.2742(16) . ? C1 C2 1.5288(19) . ? C2 H2 0.957(18) . ? C2 C3 1.5289(18) . ? C3 H3a 1.002(17) . ? C3 C4 1.529(2) . ? O1W H1Wa 0.81(2) . ? O1W H1Wb 0.75(2) . ? O2L H2La 0.83(2) . ? O2L H2Lb 0.80(3) . ? O2W H2Wa 0.82(3) . ? O2W H2Wb 0.78(3) . ? 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 Ca1 O1 C1 O2 -169.75(9) . . . . ? Ca1 O1 C1 C2 10.04(11) . . . . ? Ca1 O2 C1 O1 47.90(13) 3_756 . . . ? Ca1 O2 C1 C2 -131.89(12) 3_756 . . . ? Ca1 O3 C2 C1 -4.91(8) . . . . ? Ca1 O3 C2 C3 116.31(9) . . . . ? Ca1 O4 C3 C2 163.67(8) 4_664 . . . ? Ca1 O4 C3 C4 37.28(8) 4_664 . . . ? Ca1 O5 C4 O6 -2.70(11) 3_656 . . . ? Ca1 O5 C4 C3 173.48(9) 3_656 . . . ? Ca1 O6 C4 O5 -179.61(9) 4_664 . . . ? Ca1 O6 C4 C3 4.06(10) 4_664 . . . ? O1 C1 C2 O3 -2.83(13) . . . . ? O1 C1 C2 C3 -125.41(12) . . . . ? O2 C1 C2 O3 176.98(12) . . . . ? O2 C1 C2 C3 54.40(12) . . . . ? O3 C2 C3 O4 -64.79(11) . . . . ? O3 C2 C3 C4 58.72(11) . . . . ? O4 C3 C2 C1 57.00(11) . . . . ? O4 C3 C4 O5 156.10(9) . . . . ? O4 C3 C4 O6 -27.35(11) . . . . ? O5 C4 C3 C2 31.23(13) . . . . ? O6 C4 C3 C2 -152.22(11) . . . . ? C1 C2 C3 C4 -179.49(9) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -4.9909 -1.9994 -4.0011 0.1489 0.4701 -0.0056 4.9909 1.9994 4.0011 -0.1489 -0.4701 0.0056 -1.9944 -1.9978 -4.9992 0.0785 0.3386 -0.1950 1.9944 1.9978 4.9992 -0.0785 -0.3386 0.1950 4.9946 0.0044 -3.9961 -0.0546 -0.1505 -0.4422 -4.9946 -0.0044 3.9961 0.0546 0.1505 0.4422 1.0008 -0.9964 -4.9978 0.0416 0.1355 -0.3232 -1.0008 0.9964 4.9978 -0.0416 -0.1355 0.3232 3.0018 -5.0001 -1.9960 -0.3452 0.1093 -0.2785 -3.0018 5.0001 1.9960 0.3452 -0.1093 0.2785 -0.0045 5.0047 -3.0010 0.3824 -0.1232 -0.1279 0.0045 -5.0047 3.0010 -0.3824 0.1232 0.1279 4.9983 -5.0033 3.0039 -0.5444 -0.1448 -0.0974 -4.9983 5.0033 -3.0039 0.5444 0.1448 0.0974 -1.0008 3.0050 -5.0004 0.3478 0.0737 -0.2052 1.0008 -3.0050 5.0004 -0.3478 -0.0737 0.2052 4.9895 4.0026 1.0012 0.0524 -0.4665 -0.1432 -4.9895 -4.0026 -1.0012 -0.0524 0.4665 0.1432 -3.9889 -4.9998 -4.9992 -0.0377 0.5726 -0.1258 3.9889 4.9998 4.9992 0.0377 -0.5726 0.1258