#------------------------------------------------------------------------------ #$Date: 2022-02-04 21:31:48 +0200 (Fri, 04 Feb 2022) $ #$Revision: 272651 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/90/7709040.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7709040 loop_ _publ_author_name 'Fonseca de Lima, Juliana' 'Moreno, Fernanda V. S.' 'Menezes, Bruno A. T.' 'da Silva Barbosa, Jader' 'Waddington, Matthew C.' 'Franklin, Si\^an A' 'Clarkson, Guy J.' 'Walker, Marc' 'Serra, Osvaldo A.' 'Walton, Richard I.' _publ_section_title ; Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate. ; _journal_issue 1 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 145 _journal_page_last 155 _journal_paper_doi 10.1039/d1dt03514b _journal_volume 51 _journal_year 2021 _chemical_formula_moiety 'C8 H6 Ce N O8, 1.5(O)' _chemical_formula_sum 'C8 H6 Ce N O9.5' _chemical_formula_weight 408.26 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _audit_creation_date 2016-09-02 _audit_creation_method ; Olex2 1.2 (compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155) ; _audit_update_record ; 2021-09-20 deposited with the CCDC. 2021-11-29 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 100.334(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.79808(15) _cell_length_b 12.0497(3) _cell_length_c 13.5329(3) _cell_measurement_reflns_used 13456 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 31.3170 _cell_measurement_theta_min 3.0320 _cell_volume 1090.56(4) _computing_cell_refinement 'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43d (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.2833 _diffrn_detector_type Ruby _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.936 _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 35.00 104.00 1.00 11.50 -- 15.10 178.00 -90.00 69 2 \w -25.00 25.00 1.00 11.50 -- -16.04 -99.00-150.00 50 3 \w -104.00 66.00 1.00 11.50 -- -16.04 0.00 -90.00 170 4 \w -99.00 72.00 1.00 11.50 -- -16.04 0.00 120.00 171 5 \w -25.00 25.00 1.00 11.50 -- -16.04 -99.00 90.00 50 6 \w -103.00 -53.00 1.00 11.50 -- -16.04 178.00 -30.00 50 7 \w -25.00 20.00 1.00 11.50 -- -16.04 -99.00 -30.00 45 8 \w -98.00 -53.00 1.00 11.50 -- -16.04 178.00 -90.00 45 9 \w -25.00 25.00 1.00 11.50 -- -16.04 -99.00 150.00 50 10 \w -44.00 54.00 1.00 11.50 -- -16.04 57.00 -60.00 98 11 \w -22.00 56.00 1.00 11.50 -- 15.10 -99.00-150.00 78 12 \w -25.00 13.00 1.00 11.50 -- -16.04 -99.00 -90.00 38 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Ruby, Gemini' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0687312000 _diffrn_orient_matrix_UB_12 -0.0253234000 _diffrn_orient_matrix_UB_13 0.0267485000 _diffrn_orient_matrix_UB_21 0.0805955000 _diffrn_orient_matrix_UB_22 -0.0189301000 _diffrn_orient_matrix_UB_23 0.0368259000 _diffrn_orient_matrix_UB_31 -0.0042770000 _diffrn_orient_matrix_UB_32 0.0497232000 _diffrn_orient_matrix_UB_33 0.0276330000 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0457 _diffrn_reflns_av_unetI/netI 0.0354 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.936 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 17555 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.936 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 31.408 _diffrn_reflns_theta_min 3.046 _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 4.227 _exptl_absorpt_correction_T_max 0.765 _exptl_absorpt_correction_T_min 0.649 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43d (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_colour yellow _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 2.487 _exptl_crystal_description block _exptl_crystal_F_000 780 _exptl_crystal_size_max 0.124 _exptl_crystal_size_mid 0.116 _exptl_crystal_size_min 0.074 _refine_diff_density_max 2.037 _refine_diff_density_min -2.323 _refine_diff_density_rms 0.215 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.335 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 202 _refine_ls_number_reflns 3369 _refine_ls_number_restraints 6 _refine_ls_restrained_S_all 1.334 _refine_ls_R_factor_all 0.0540 _refine_ls_R_factor_gt 0.0467 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+10.9530P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0892 _refine_ls_wR_factor_ref 0.0914 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3061 _reflns_number_total 3369 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt03514b2.cif _cod_data_source_block rwj13 _cod_depositor_comments 'Adding full bibliography for 7709038--7709041.cif.' _cod_original_cell_volume 1090.56(5) _cod_original_formula_sum 'C8 H6 Ce N O9.50' _cod_database_code 7709040 _chemical_oxdiff_formula 'C8 H6 N O9.5 Ce' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _reflns_odcompleteness_completeness 99.28 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 28.98 _olex2_refinement_description ; There are three molecules of water in a void in the structure that were modeled at 50% occupancy each. The hydrogens were only located on the fully occupied waters O1 and O2. They were refined with DFIX and DANG restraints to give them idealized geometries. 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All O(H,H) groups 2. Restrained distances O1-H1A = O1-H1B = O2-H2A = O2-H2B 0.82 with sigma of 0.02 H1A-H1B = H2A-H2B 1.35 with sigma of 0.04 3. Others Fixed Sof: O4(0.5) O3(0.5) O5(0.5) 4.a Aromatic/amide H refined with riding coordinates: C3(H3), C7(H7) ; _shelx_res_file ; rwj13.res created by SHELXL-2014/7 TITL rwj13_a.res in P2(1)/c REM Old TITL rwJ13 in P2 #3 REM SHELXT solution in P2(1)/c REM R1 0.104, Rweak 0.006, Alpha 0.086, Orientation as input REM Formula found by SHELXT: C14 N O4 Ce CELL 0.71073 6.798081 12.049659 13.532878 90 100.3338 90 ZERR 4 0.000154 0.000324 0.000318 0 0.0023 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Ce N O UNIT 32 24 4 4 38 EQIV $1 -X,3-Y,2-Z EQIV $2 -1-X,3-Y,1-Z EQIV $3 -X,-0.5+Y,1.5-Z EQIV $4 1-X,2-Y,2-Z DFIX 0.82 O1 H1a O1 H1b O2 H2a O2 H2b DANG 1.35 H1a H1b H2a H2b L.S. 8 PLAN 20 TEMP -123(2) HTAB O2 O1B HTAB O2 O8A_$1 HTAB O2 O4_$2 HTAB O2 O5_$2 HTAB O1 O4_$3 HTAB O1 O3_$3 HTAB O1 O9A_$4 HTAB O1 O2_$3 HTAB BOND $H LIST 6 fmap 2 acta REM REM REM WGHT 0.000000 10.953000 FVAR 2.22124 CE1 3 -0.050472 1.166783 0.745377 11.00000 0.00557 0.01588 = 0.00639 -0.00123 0.00144 -0.00179 O1A 5 0.169768 1.330411 0.771721 11.00000 0.01180 0.02231 = 0.01072 -0.00406 0.00149 -0.00498 O8A 5 0.288009 1.410799 1.239195 11.00000 0.00571 0.02343 = 0.01478 0.00115 0.00400 0.00173 O9B 5 0.919215 1.241577 0.911704 11.00000 0.00924 0.02168 = 0.00962 -0.00283 0.00363 -0.00091 O8B 5 0.621828 1.403534 1.278664 11.00000 0.00895 0.03331 = 0.01174 -0.00308 0.00209 0.00539 O2 5 -0.269388 1.347597 0.717160 11.00000 0.01806 0.01765 = 0.01695 -0.00422 -0.00196 -0.00293 H2A 2 -0.239081 1.410245 0.737819 11.00000 -1.50000 H2B 2 -0.363841 1.350328 0.669603 11.00000 -1.50000 O9A 5 1.000194 1.258246 1.078332 11.00000 0.00916 0.02269 = 0.00875 -0.00100 0.00073 0.00528 O1B 5 0.075326 1.482469 0.845747 11.00000 0.01065 0.01579 = 0.01487 0.00313 0.00055 0.00222 N5 4 0.649937 1.339673 1.095237 11.00000 0.00824 0.01791 = 0.00835 0.00343 0.00201 0.00275 O1 5 0.023719 1.012226 0.880973 11.00000 0.05239 0.02130 = 0.02473 0.00904 0.02181 0.01301 H1A 2 0.074176 1.027756 0.937765 11.00000 -1.50000 H1B 2 0.007008 0.947480 0.866360 11.00000 -1.50000 C6 1 0.473598 1.380695 1.108651 11.00000 0.00777 0.01440 = 0.01105 -0.00051 0.00104 0.00132 C8 1 0.459489 1.399869 1.217229 11.00000 0.01016 0.01360 = 0.01244 0.00094 0.00416 0.00154 C4 1 0.674830 1.312226 1.002219 11.00000 0.00530 0.01834 = 0.00949 0.00063 0.00088 0.00269 C3 1 0.524243 1.325506 0.919168 11.00000 0.01020 0.01671 = 0.00765 0.00202 0.00143 0.00257 AFIX 43 H3 2 0.542093 1.301439 0.854512 11.00000 -1.20000 AFIX 0 C7 1 0.319180 1.404950 1.029677 11.00000 0.00812 0.01769 = 0.00871 0.00059 0.00024 0.00044 AFIX 43 H7 2 0.200255 1.440365 1.040858 11.00000 -1.20000 AFIX 0 C1 1 0.183973 1.398335 0.843580 11.00000 0.00575 0.01307 = 0.00745 0.00348 0.00022 -0.00119 C9 1 0.880742 1.266941 0.996269 11.00000 0.00825 0.01531 = 0.01013 0.00202 0.00360 0.00069 C2 1 0.345496 1.375259 0.933165 11.00000 0.00751 0.01527 = 0.00829 0.00194 -0.00101 0.00004 PART 2 O4 5 -0.332528 1.593451 0.424509 10.50000 0.06438 0.03197 = 0.04606 0.00583 0.02132 0.03079 PART 0 PART 1 O3 5 -0.352606 1.445838 0.485922 10.50000 0.04562 0.08576 = 0.04134 -0.03485 0.01793 -0.03485 O5 5 -0.377495 1.642475 0.409204 10.50000 0.02134 0.05381 = 0.03209 -0.00110 -0.00175 -0.01629 HKLF 4 REM rwj13_a.res in P2(1)/c REM R1 = 0.0467 for 3061 Fo > 4sig(Fo) and 0.0540 for all 3369 data REM 202 parameters refined using 6 restraints END WGHT 0.0000 10.9589 REM Instructions for potential hydrogen bonds HTAB O2 O8A_$1 HTAB O2 O1B HTAB O2 O4_$2 HTAB O2 O5_$2 HTAB O1 O4_$3 HTAB O1 O3_$3 HTAB O1 O1A_$3 HTAB O1 O2_$3 HTAB O1 O9A_$4 EQIV $5 x+1, y, z HTAB C3 O2_$5 REM Highest difference peak 2.037, deepest hole -2.323, 1-sigma level 0.215 Q1 1 -0.0935 1.2162 0.7322 11.00000 0.05 2.04 Q2 1 -0.4226 1.5281 0.4542 11.00000 0.05 1.84 Q3 1 0.2353 1.3217 1.2852 11.00000 0.05 1.13 Q4 1 -0.0583 1.4460 0.7428 11.00000 0.05 0.94 Q5 1 -0.1231 1.1351 0.7299 11.00000 0.05 0.87 Q6 1 0.0612 1.3415 0.7377 11.00000 0.05 0.79 Q7 1 -0.2630 1.1754 0.7254 11.00000 0.05 0.76 Q8 1 0.0230 1.2807 0.7533 11.00000 0.05 0.73 Q9 1 0.0494 1.0986 0.7554 11.00000 0.05 0.71 Q10 1 0.9154 1.2419 0.8437 11.00000 0.05 0.70 Q11 1 0.5994 1.3409 0.9697 11.00000 0.05 0.70 Q12 1 0.7835 1.2987 0.9903 11.00000 0.05 0.70 Q13 1 -0.1248 1.1584 0.6866 11.00000 0.05 0.68 Q14 1 -0.3026 1.5348 0.3952 11.00000 0.05 0.68 Q15 1 0.3979 1.4122 1.0640 11.00000 0.05 0.66 Q16 1 0.0288 1.5180 0.8949 11.00000 0.05 0.66 Q17 1 0.1019 1.1350 0.8685 11.00000 0.05 0.66 Q18 1 0.4418 1.3626 0.9323 11.00000 0.05 0.65 Q19 1 -0.0153 1.4028 0.9297 11.00000 0.05 0.64 Q20 1 -0.1343 1.1741 0.7891 11.00000 0.05 0.63 ; _shelx_res_checksum 17765 _shelx_hkl_file ; 0 -17 -3-1266.95 517.329 12 0 -17 -4-1495.31 591.020 12 0 -16 0 9459.28 1236.06 9 0 -16 0 8992.87 1230.74 2 0 -16 -1 14399.7 1517.67 2 0 -16 1 10348.0 1274.05 9 0 -16 -2 12141.4 1297.73 12 0 -16 -2 14004.7 1508.17 9 0 -16 -2 13130.7 1458.11 2 0 -16 3 10786.8 1334.39 2 0 -16 -3 10367.2 1223.17 12 0 -16 4 10237.9 1316.72 2 0 -16 4 7162.85 1116.96 9 0 -16 -4 8730.86 1221.84 9 0 -16 -4 6094.66 997.347 12 0 -16 -5 10409.5 1247.35 12 0 -16 -6 4841.17 880.058 7 0 -16 -7 7392.51 1101.12 12 0 -16 -7 8679.88 1134.59 7 0 -15 0-258.645 490.457 2 0 -15 -1 1731.39 669.162 2 0 -15 1 891.489 560.527 2 0 -15 -1 1295.43 426.716 7 0 -15 -1-336.966 407.433 12 0 -15 1 1566.53 618.811 9 0 -15 -1 1494.36 585.603 9 0 -15 2-138.511 467.131 9 0 -15 -2-714.719 490.301 9 0 -15 -2 258.203 488.251 2 0 -15 2 129.431 516.857 2 0 -15 -3 317.065 495.520 2 0 -15 3 176.015 442.592 9 0 -15 -3 26.4532 385.148 12 0 -15 -3 1327.00 570.298 9 0 -15 -3 30.9346 327.472 7 0 -15 3 570.738 523.823 2 0 -15 4 330.896 298.133 4 0 -15 -4 723.002 539.334 2 0 -15 -4 191.170 376.542 9 0 -15 4 659.075 549.906 2 0 -15 -4 215.964 379.812 7 0 -15 -4-628.658 452.732 12 0 -15 -5 790.467 471.295 7 0 -15 -5 1532.36 663.302 2 0 -15 -5 312.643 426.086 9 0 -15 5 459.215 489.543 9 0 -15 5 160.790 559.821 2 0 -15 -5 1207.51 556.312 5 0 -15 -5 276.770 421.090 12 0 -15 -6 1798.97 641.332 12 0 -15 -6 666.429 509.789 5 0 -15 -6-242.426 459.684 2 0 -15 -6 1644.86 617.563 9 0 -15 6 870.423 533.861 9 0 -15 -7 305.441 464.378 2 0 -15 7-501.575 464.491 9 0 -15 -7 1295.09 583.605 9 0 -15 -7 227.048 384.734 7 0 -15 7 112.924 370.772 4 0 -15 -8-207.438 531.242 12 0 -15 -8-331.364 479.900 2 0 -15 -8-266.062 457.009 7 0 -15 8 987.000 423.532 9 0 -15 8-345.102 441.865 4 0 -15 9 1442.08 630.470 4 0 -15 -9 1553.97 561.734 7 0 -15 -9 1750.91 633.306 12 0 -14 0 17826.7 1505.52 2 0 -14 1 22601.8 1674.44 9 0 -14 -1 22161.7 1686.41 9 0 -14 1 23786.3 1231.85 7 0 -14 1 22341.4 1670.14 2 0 -14 -1 21615.6 1315.67 7 0 -14 -1 24113.1 1739.92 2 0 -14 -2 4294.02 680.475 7 0 -14 -2 4414.51 780.760 12 0 -14 2 6125.74 939.757 2 0 -14 2 4273.11 808.535 9 0 -14 3 15349.7 1382.72 9 0 -14 -3 16079.6 1452.80 2 0 -14 -3 16342.7 1366.60 12 0 -14 3 16633.7 1452.97 2 0 -14 3 13179.6 1043.97 4 0 -14 -3 15666.8 1440.68 9 0 -14 4 5301.17 728.943 4 0 -14 4 4977.40 876.160 9 0 -14 -4 5131.98 936.351 2 0 -14 -4 5846.90 889.076 12 0 -14 -4 5609.81 915.494 9 0 -14 -4 4393.78 733.805 7 0 -14 5 24037.9 1522.47 4 0 -14 -5 25824.8 1841.64 2 0 -14 -6 6185.63 895.773 7 0 -14 6 5684.70 837.660 4 0 -14 -7 20223.8 1559.15 12 0 -14 -7 21375.5 1695.26 2 0 -14 -7 20322.3 1691.77 9 0 -14 7 18140.1 1458.46 4 0 -14 -7 22805.6 1827.53 5 0 -14 -8 3332.67 785.356 5 0 -14 -8 3224.85 787.721 9 0 -14 -8 2130.13 649.737 7 0 -14 8 4119.27 805.434 4 0 -14 -8 3029.02 731.018 12 0 -14 -9 13909.0 1375.50 12 0 -14 -9 14469.9 1511.75 5 0 -14 -9 14670.3 1483.11 9 0 -14 9 8812.49 1163.19 4 0 -14 -9 11286.3 1306.13 7 0 -14 -9 11157.5 1295.58 2 0 -14 -10 2295.63 669.646 7 0 -14 10 2963.24 753.477 4 0 -14 -10 2608.51 712.191 12 0 -14 11 13340.5 1480.86 4 0 -14 -11 13158.7 1375.38 12 0 -14 -11 11462.7 1336.49 2 0 -13 0 523.298 237.576 4 0 -13 0-144.447 345.291 12 0 -13 0 724.956 318.603 7 0 -13 0 759.795 497.188 2 0 -13 1 362.960 406.178 9 0 -13 -1 104.237 352.312 9 0 -13 -1-485.656 468.615 2 0 -13 -1 504.186 387.113 12 0 -13 -1-158.268 276.462 7 0 -13 2-106.273 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416.300 5 0 -13 -10 364.336 390.153 9 0 -13 -10 1392.20 585.700 7 0 -13 -10 1114.94 575.344 5 0 -13 -10 1185.52 560.036 12 0 -13 10 1329.60 556.118 4 0 -13 -10 2026.90 667.269 2 0 -13 -11 30.5901 422.179 12 0 -13 -11-435.720 430.919 9 0 -13 -11-607.127 524.541 2 0 -13 -11 441.796 409.573 7 0 -13 -12 634.168 516.817 2 0 -13 -12 1097.57 502.282 9 0 -13 -13 229.097 352.258 2 0 -12 0 81096.6 2843.65 9 0 -12 0 82392.3 2812.26 2 0 -12 0 80135.8 2616.97 12 0 -12 0 75066.6 2121.85 7 0 -12 1 1446.88 549.863 2 0 -12 -1 1248.35 464.893 12 0 -12 -1 1462.83 407.045 7 0 -12 -1 606.332 476.401 2 0 -12 -2 47642.3 2046.74 12 0 -12 2 47767.7 2139.43 2 0 -12 3 3525.10 714.365 2 0 -12 -3 2134.74 620.808 2 0 -12 -3 2316.14 572.885 12 0 -12 4 44867.7 2064.38 2 0 -12 -4 38580.1 1840.10 7 0 -12 -4 41323.7 1939.51 12 0 -12 4 39514.4 1749.41 4 0 -12 -4 40962.1 2090.54 9 0 -12 -4 45320.8 2144.80 2 0 -12 5 2001.80 509.470 4 0 -12 -5 1573.39 529.043 9 0 -12 -5 1898.47 537.394 2 0 -12 -6 48751.4 2325.96 9 0 -12 -6 49018.4 2169.52 12 0 -12 -6 52724.5 2452.25 5 0 -12 7 1629.27 513.478 4 0 -12 -7 877.958 472.909 12 0 -12 -7 517.641 375.160 7 0 -12 -7 1222.96 499.767 2 0 -12 -8 35342.5 1961.77 2 0 -12 -8 29339.1 1848.59 7 0 -12 -8 32354.8 1860.44 12 0 -12 -8 32213.1 1960.16 9 0 -12 8 31220.0 1889.40 4 0 -12 -9 614.580 426.213 9 0 -12 -9-484.224 406.480 12 0 -12 9 554.403 454.280 4 0 -12 -9 290.270 403.650 5 0 -12 -9 472.765 462.995 2 0 -12 -9 797.960 431.740 7 0 -12 -10 20162.5 1597.25 9 0 -12 10 23755.5 1782.79 4 0 -12 -10 21732.2 1601.68 2 0 -12 11 3192.68 785.092 4 0 -12 -11 2803.05 674.585 9 0 -12 -11 3543.57 743.216 2 0 -12 -12 25656.3 1861.88 9 0 -12 -12 27396.8 2050.73 5 0 -12 -13 984.378 501.538 2 0 -12 -14 12893.0 1362.73 9 0 -11 0 101.153 187.508 4 0 -11 0-241.545 316.123 12 0 -11 0 50.8374 221.069 7 0 -11 -1 4.60032 296.656 9 0 -11 -1 549.415 203.386 4 0 -11 -1 144.789 349.583 2 0 -11 -1 217.971 312.740 12 0 -11 1 479.479 426.043 2 0 -11 1 482.865 255.443 7 0 -11 1 983.103 390.717 12 0 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102.170 249.866 4 0 -9 -4 87.0782 253.389 12 0 -9 4 258.093 334.416 2 0 -9 -4 504.204 335.728 2 0 -9 -5 422.914 345.227 9 0 -9 -5 338.993 329.518 5 0 -9 -6-68.0319 300.749 5 0 -9 6-347.550 317.038 4 0 -9 -7 5583.79 737.408 9 0 -9 -7 5818.39 736.622 2 0 -9 7 5841.40 769.153 4 0 -9 -7 7565.55 871.102 5 0 -9 -8 843.940 261.507 10 0 -9 -8 372.262 354.397 2 0 -9 8 979.705 432.992 4 0 -9 -8 815.749 419.032 5 0 -9 -9 5666.68 757.975 2 0 -9 -9 5125.78 729.453 9 0 -9 10 877.619 454.441 4 0 -9 -10 532.299 399.414 2 0 -9 -11 1571.10 492.435 2 0 -9 -11 2328.93 552.437 9 0 -9 12 692.278 475.317 4 0 -9 -13 4059.70 836.889 5 0 -9 13 3826.28 838.883 4 0 -9 -14-498.899 351.896 9 0 -9 14-346.697 507.001 4 0 -9 -14 398.408 354.292 2 0 -9 15 6806.45 1110.52 4 0 -9 -15 5703.94 1022.45 5 0 -8 0 3363.10 392.340 7 0 -8 0 3230.41 460.398 1 0 -8 0 3357.83 476.235 12 0 -8 0 2932.41 333.167 4 0 -8 -1 18267.7 1032.16 10 0 -8 1 19794.6 1007.87 1 0 -8 1 16906.8 965.274 12 0 -8 1 17996.6 840.070 4 0 -8 -1 19743.7 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415.636 346.065 8 0 -6 16 28543.1 2127.64 4 0 -5 0 332.495 237.594 10 0 -5 1-77.0372 219.982 10 0 -5 1 228.380 144.515 7 0 -5 1 145.456 175.654 4 0 -5 2 9129.64 574.462 4 0 -5 2 8607.33 545.025 3 0 -5 -2 7283.51 234.526 4 0 -5 2 9200.57 396.241 7 0 -5 3 1016.07 285.864 11 0 -5 3 411.647 248.528 4 0 -5 3 422.356 270.576 2 0 -5 3 660.794 272.353 10 0 -5 -4 3575.37 436.063 2 0 -5 -4 3337.22 422.087 11 0 -5 4 3657.22 450.247 10 0 -5 4 4105.66 475.510 3 0 -5 -4 4020.07 479.419 8 0 -5 4 5145.53 458.574 11 0 -5 4 4087.15 429.341 2 0 -5 4 3592.12 459.426 4 0 -5 -5 5810.26 578.836 8 0 -5 -5 5784.07 584.428 6 0 -5 -5 5529.93 514.069 2 0 -5 -5 6005.03 562.382 9 0 -5 -5 6007.21 538.236 11 0 -5 6 445.922 276.564 3 0 -5 -6 282.667 232.253 9 0 -5 -6-3.26374 119.051 10 0 -5 -6 339.665 260.003 6 0 -5 6 91.5866 202.687 10 0 -5 -7 1313.31 187.327 3 0 -5 -7 1198.86 316.943 9 0 -5 7 1388.88 332.274 10 0 -5 -8 6496.04 693.586 5 0 -5 -8 6080.85 575.648 11 0 -5 8 5774.36 573.714 10 0 -5 8 5984.21 700.097 4 0 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14 7997.56 735.043 4 0 5 14 7240.46 967.221 6 0 5 15 1047.82 494.882 8 0 5 16 7953.39 1065.72 6 0 5 -16 5866.98 1026.44 3 0 5 -17 2749.76 787.916 3 0 6 0 103464. 1582.44 3 0 6 0 105864. 2108.16 2 0 6 0 105365. 1992.63 1 0 6 0 106412. 1601.49 4 0 6 1 788.066 281.002 1 0 6 -1 1133.96 243.410 4 0 6 1 903.637 302.605 10 0 6 -1 776.047 266.446 12 0 6 1 1073.19 334.329 11 0 6 -1 926.279 291.172 2 0 6 -1 1137.62 319.563 11 0 6 -1 1206.57 288.308 1 0 6 -1 1128.45 257.372 3 0 6 -2 143164. 2198.93 1 0 6 2 144521. 2519.90 1 0 6 -2 141424. 2377.37 12 0 6 -2 143383. 2439.02 2 0 6 -2 137134. 2396.59 11 0 6 -2 146505. 2319.81 4 0 6 2 143125. 2511.60 11 0 6 -3 4164.65 469.087 4 0 6 -3 4577.75 496.403 11 0 6 -3 3972.08 458.076 2 0 6 3 3376.42 460.615 11 0 6 -3 3781.75 456.248 3 0 6 -3 3913.97 399.840 1 0 6 -4 65018.9 1663.49 11 0 6 -4 64374.4 1465.83 1 0 6 -4 67291.2 1840.30 3 0 6 -4 66230.1 1824.13 4 0 6 4 64290.3 1738.90 11 0 6 5 278.528 280.043 1 0 6 -5 917.396 286.319 11 0 6 -5 444.634 255.047 12 0 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1248.79 1 -2 15 -3 8975.04 1199.28 10 -2 15 -3 8110.05 1121.20 11 2 15 4 1961.95 679.629 11 -2 15 -5 7989.68 1112.10 11 -2 15 -5 7486.22 1149.00 10 2 15 5 8653.03 1157.80 11 2 15 5 8415.46 1253.53 1 -2 15 -6 243.942 395.437 3 -2 15 -6 905.745 497.141 11 2 15 6 483.526 594.759 11 -2 15 -7 9663.85 1179.89 3 2 15 7 9819.24 1275.71 11 -2 15 -7 8602.06 1149.13 11 -2 15 -8 109.517 480.606 3 2 15 8-350.947 496.616 11 2 16 -6 4302.99 848.206 1 2 16 -5 11223.5 1305.97 1 -2 16 1 10840.4 1353.57 11 2 16 0 1901.73 725.327 1 -2 16 0 1612.09 717.702 11 -2 16 -1 11973.1 1390.76 10 2 16 1 11947.0 1404.41 1 -2 16 -1 10139.1 1301.33 11 -2 16 -2 1373.31 663.107 11 -2 16 -4 3650.10 891.792 11 3 -16 -6 1397.73 607.219 7 3 -16 -6 2739.36 713.547 5 3 -16 -5 5507.94 988.032 7 3 -16 -5 7417.05 1097.14 5 -3 -16 4 1186.90 562.670 9 3 -16 -4 1680.96 591.308 7 -3 -16 3 3288.49 769.976 9 -3 -16 1 7377.45 1096.99 9 3 -16 2 1721.72 708.832 2 3 -16 3 1823.27 776.966 2 3 -16 4 1593.60 789.434 2 -3 -15 9 5992.69 991.230 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749.390 4 4 2 -1 10469.8 708.820 9 -4 2 1 10378.6 771.658 7 4 2 0 2571.68 436.311 4 4 2 1 4399.04 539.191 4 4 2 1 4944.97 538.363 9 4 2 1 3868.56 448.211 1 4 2 1 4370.68 354.611 6 4 2 1 5006.48 597.701 3 4 2 2 8469.01 730.971 4 -4 2 -2 7630.51 672.458 10 4 2 2 7186.90 493.984 6 4 2 3 918.650 251.245 6 4 2 3 1165.44 369.932 3 4 2 4 1577.91 426.156 4 -4 2 -4 1679.34 386.067 10 4 2 4 1559.63 276.955 2 4 2 4 1348.54 393.117 3 -4 2 -4 1694.98 321.091 12 4 2 5 2051.91 455.615 4 -4 2 -5 1839.76 405.458 10 4 2 5 1782.10 343.062 1 4 2 5 1635.54 359.334 6 4 2 5 1308.26 406.408 3 4 2 6 804.301 295.854 1 -4 2 -6 1016.07 343.968 10 4 2 7 3028.99 562.962 4 -4 2 -7 2410.77 456.741 10 4 2 7 1953.16 440.026 6 4 2 7 2264.15 500.085 3 4 2 7 2307.08 412.768 1 4 2 8 1833.47 496.451 4 4 2 8 857.890 401.747 3 4 2 9 931.127 419.907 6 4 2 10 1114.42 474.249 4 -4 2 -10 637.609 437.400 3 -4 2 -11 1398.96 522.188 3 -4 2 -11 1457.71 413.157 10 4 2 11 819.883 445.682 6 -4 2 -12 1147.65 536.993 3 4 2 12 1652.01 547.736 4 -4 2 -12 951.181 352.123 10 4 2 13 1395.64 557.665 4 -4 2 -13 1988.47 616.427 3 -4 2 -14 874.425 514.751 3 4 2 14 1016.98 521.731 4 4 2 14 84.5148 433.998 6 -4 2 -15 1455.39 655.652 3 4 2 16 495.566 384.538 4 -4 3 18 1818.60 548.539 6 -4 3 17 24669.6 1870.61 8 4 3 -17 18581.7 1716.19 3 -4 3 16 579.999 409.840 4 -4 3 16 1389.69 553.085 8 -4 3 15 29731.5 1893.66 8 4 3 -14 568.991 465.210 3 -4 3 14 321.763 339.742 4 -4 3 14 396.420 397.862 8 4 3 -14 316.056 234.991 7 -4 3 13 44245.5 2133.40 8 4 3 -13 37068.2 2089.66 3 -4 3 12 3974.62 395.497 10 4 3 -12 3810.12 736.689 3 -4 3 12 3430.91 549.637 4 4 3 -12 3715.26 473.264 7 -4 3 11 35475.5 1524.83 4 -4 3 11 36302.0 1786.20 8 4 3 -11 35380.7 1298.00 7 4 3 -11 37277.4 1969.64 3 4 3 -10 4078.85 699.055 3 -4 3 10 3254.55 590.858 8 -4 3 10 3855.31 506.872 6 4 3 -9 38985.1 1877.54 3 -4 3 8 596.145 249.846 10 -4 3 8 538.001 339.475 8 -4 3 7 101785. 2374.71 3 4 3 -7 93085.2 2702.02 3 -4 3 6 7869.47 653.412 4 -4 3 6 7569.35 686.981 8 -4 3 5 123956. 2411.48 10 -4 3 4 10071.8 720.023 10 -4 3 4 11353.0 751.688 4 4 3 -4 11045.2 662.806 9 -4 3 3 32652.4 1279.47 10 4 3 -3 33936.5 1187.96 9 4 3 -3 36369.7 1500.69 4 -4 3 2 1324.43 323.337 10 -4 3 2 1178.55 340.197 3 -4 3 2 1783.22 365.202 4 4 3 -1 77315.6 2115.22 4 -4 3 1 78921.8 2130.78 7 4 3 0 4328.46 543.070 4 -4 3 0 4422.00 549.763 7 4 3 0 4013.46 494.267 1 4 3 0 3366.53 503.480 3 4 3 1 83325.7 2181.27 4 4 3 1 76599.4 1899.55 1 4 3 1 76623.4 1495.87 6 4 3 1 79373.8 2197.02 3 4 3 2 774.858 297.010 1 -4 3 -2 572.992 114.261 8 4 3 2 495.855 268.723 4 4 3 2 1158.52 286.728 2 4 3 2 591.648 308.571 3 4 3 2 748.845 226.305 6 -4 3 -3 59517.7 1859.67 10 -4 3 -3 65320.2 1726.15 12 4 3 3 65105.4 2035.29 3 4 3 3 61432.9 1497.86 11 -4 3 -4 1320.80 364.538 10 4 3 4 1367.78 290.610 2 4 3 4 1400.60 350.096 1 4 3 4 1493.86 331.839 6 4 3 4 1583.95 395.018 3 -4 3 -4 1095.86 304.835 12 -4 3 -5 56576.7 1888.15 10 4 3 5 60289.6 1805.04 6 4 3 5 56468.1 1975.77 4 -4 3 -5 61196.2 1815.44 12 4 3 5 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15447.5 853.201 7 -4 4 13 14436.8 1105.60 6 4 4 -13 14758.8 1386.22 3 -4 4 12 2190.23 309.745 10 4 4 -12 2507.67 647.191 3 -4 4 12 2647.17 600.755 8 4 4 -12 2584.30 369.721 7 -4 4 11 14447.5 949.699 4 -4 4 11 15806.0 1219.88 8 -4 4 11 13782.1 979.444 6 4 4 -11 13584.6 1257.09 3 -4 4 10 1969.16 411.692 3 -4 4 10 1690.80 313.755 10 4 4 -10 1892.34 547.417 3 -4 4 10 2396.93 530.908 8 -4 4 10 1472.02 375.731 6 -4 4 9 29384.7 1250.38 4 -4 4 9 26471.1 1447.74 8 -4 4 9 31374.4 1347.40 3 4 4 -9 27129.2 1617.33 3 -4 4 8 32581.7 1278.83 4 -4 4 8 32302.7 1217.81 10 -4 4 8 31491.6 1500.65 8 4 4 -8 32416.7 1704.88 3 -4 4 7 5078.89 524.478 10 -4 4 7 5414.24 634.554 8 -4 4 7 4981.87 542.396 3 4 4 -7 6202.62 756.789 3 -4 4 6 1133.26 311.827 10 4 4 -6 1347.89 261.401 9 4 4 -6 1444.57 413.773 3 -4 4 5 24129.4 1104.28 10 -4 4 5 23246.0 1119.56 8 -4 4 4 3616.18 474.165 10 -4 4 4 3435.52 430.961 4 4 4 -4 4554.73 468.484 9 -4 4 4 4008.31 475.716 8 -4 4 4 4214.15 510.690 3 -4 4 3 8816.73 701.263 10 -4 4 3 9664.02 694.241 4 -4 4 3 9898.65 659.247 8 -4 4 2 6459.35 622.400 10 -4 4 2 5790.90 488.012 8 4 4 -2 6129.74 630.704 1 4 4 -2 6035.08 670.906 3 4 4 -2 6698.13 687.870 4 4 4 -1 7695.42 656.435 9 4 4 -1 6958.93 663.628 1 4 4 -1 6347.54 671.605 3 4 4 0 1297.13 362.023 1 -4 4 0 1384.94 226.674 8 4 4 0 2220.79 444.317 3 4 4 0 1719.01 372.012 2 -4 4 -1 1761.58 209.817 8 4 4 1 1213.26 335.053 4 4 4 1 2271.79 389.785 11 4 4 1 1608.61 353.805 2 4 4 2 3653.47 451.424 2 -4 4 -2 4357.78 569.304 10 4 4 2 4574.66 555.736 1 -4 4 -2 3783.14 207.573 8 4 4 2 3676.65 424.277 6 4 4 3 10269.0 693.265 2 -4 4 -3 10039.3 827.828 10 4 4 3 11577.8 840.801 1 -4 4 -3 11810.6 811.781 12 4 4 3 9946.12 834.218 3 -4 4 -4 10795.6 868.147 10 4 4 4 10466.8 765.258 6 4 4 4 10644.1 686.968 2 4 4 4 10094.1 671.708 11 4 4 5 761.043 241.118 11 4 4 5 804.235 342.514 4 4 4 5 415.433 298.990 1 4 4 5 1016.02 344.598 6 4 4 5 673.234 343.506 3 4 4 6 1205.97 276.152 11 4 4 6 2281.08 472.826 1 4 4 6 1924.62 455.830 4 -4 4 -6 1942.22 455.441 10 4 4 6 1341.72 417.374 3 4 4 7 1721.90 456.263 4 -4 4 -7 1926.60 469.698 10 4 4 7 1798.85 456.285 3 4 4 7 1710.93 433.149 1 -4 4 -8 1837.01 467.499 10 4 4 8 1728.27 477.051 6 4 4 8 704.238 384.267 1 -4 4 -9 1310.51 493.057 3 4 4 9 299.449 346.490 4 -4 4 -9 526.794 366.987 10 4 4 10 666.760 388.832 4 -4 4 -10 296.906 329.634 10 4 4 10 1695.78 506.108 6 -4 4 -10 1029.19 490.054 3 -4 4 -11 1193.76 553.353 3 4 4 11 1632.92 516.455 4 4 4 11 1676.00 541.488 6 -4 4 -12 570.601 469.934 3 4 4 12 639.980 424.819 4 4 4 12 1486.65 527.844 6 -4 4 -13 3222.80 801.592 3 4 4 13 1939.41 570.761 4 -4 4 -13 2235.88 522.429 10 4 4 13 1521.26 577.755 6 -4 4 -14 815.994 561.461 3 4 4 14 432.566 485.576 4 4 4 15 1061.02 502.975 4 -4 5 18 4635.61 858.970 6 4 5 -17 9830.04 1358.32 3 -4 5 17 7334.33 1027.26 6 -4 5 16 6968.77 1052.56 8 -4 5 16 6341.71 912.666 6 -4 5 15 4039.15 731.237 6 -4 5 14 34627.1 2045.87 8 -4 5 13 16304.4 1369.13 8 -4 5 13 15590.3 992.742 4 4 5 -13 15350.8 1474.42 3 -4 5 12 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1949.77 1 4 5 3 9599.26 811.879 1 -4 5 -3 10992.1 898.659 10 4 5 3 11391.9 890.068 3 4 5 3 10725.2 760.640 11 -4 5 -4 88853.0 2489.90 10 4 5 4 88720.6 2407.69 3 4 5 4 87713.6 2043.16 11 -4 5 -5 7216.48 766.383 10 4 5 5 7986.57 751.182 6 4 5 5 6815.99 732.107 1 -4 5 -6 48616.2 1927.32 10 4 5 6 51726.7 1904.64 6 4 5 6 50345.9 1887.95 4 4 5 6 48435.4 1465.65 2 4 5 6 47944.8 1861.88 1 4 5 6 51377.0 1901.92 3 4 5 7 9433.20 890.098 1 4 5 7 9623.68 882.842 4 4 5 7 11186.4 709.852 11 4 5 7 10453.6 909.136 3 4 5 8 45443.6 1875.51 3 -4 5 -8 51274.2 2287.15 3 4 5 8 48768.3 2025.47 6 4 5 8 42620.0 1834.64 1 4 5 8 47898.3 1940.19 4 -4 5 -9 7851.24 875.805 10 -4 5 -9 9256.35 1053.04 3 4 5 9 8003.05 909.978 6 4 5 9 8274.92 878.868 4 4 5 10 52507.3 2301.95 6 -4 5 -11 10551.1 1025.13 10 -4 5 -11 13089.5 1334.56 3 -4 5 -12 29155.3 2025.17 3 4 5 12 28795.3 1876.17 6 4 5 12 28012.3 1690.13 4 4 5 13 15199.5 1448.65 6 4 5 13 13336.9 1214.73 4 -4 5 -14 15602.2 1614.04 3 4 6 -17 367.907 408.771 11 -4 6 17 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761.998 280.064 8 4 6 -3 654.631 366.497 3 4 6 -3 1498.97 421.866 1 4 6 -2 30467.3 1448.66 1 4 6 -2 28835.3 1445.16 3 -4 6 2 32520.9 1343.23 3 4 6 -2 26612.7 1305.51 11 4 6 -1 1110.96 415.775 1 -4 6 1 535.787 314.536 10 -4 6 1 468.530 220.182 8 4 6 0 9151.10 833.847 1 -4 6 0 9360.98 806.867 3 4 6 0 8480.28 762.538 11 4 6 1 437.110 321.198 1 4 6 1 504.100 323.500 3 4 6 2 193.583 302.483 11 -4 6 -2 1129.07 375.122 10 4 6 2 247.445 290.765 3 4 6 3 4271.02 619.568 1 -4 6 -3 3765.87 603.627 10 4 6 3 4145.71 576.102 3 -4 6 -4 10659.4 930.358 10 4 6 4 9413.04 755.166 11 4 6 4 10239.9 910.524 1 4 6 5 1200.09 333.105 11 4 6 6 948.258 367.649 4 4 6 6 892.307 438.703 1 4 6 6 586.542 283.839 2 4 6 6 1770.26 442.418 3 4 6 7 875.292 293.163 11 4 6 7 412.022 372.187 1 -4 6 -7 756.863 435.265 3 -4 6 -7 361.429 346.080 10 4 6 7 609.716 380.028 6 -4 6 -8 2876.89 628.404 3 -4 6 -8 1326.08 468.050 10 4 6 8 2256.77 554.238 6 4 6 8 2549.11 570.937 1 4 6 8 2563.67 401.156 11 -4 6 -9 761.061 453.350 3 4 6 9 216.833 319.757 4 -4 6 -9 413.445 342.943 10 4 6 9 251.401 363.962 6 4 6 9 120.513 351.127 1 -4 6 -10 2442.96 661.947 3 4 6 10 1612.09 467.826 4 -4 6 -10 1068.17 447.731 10 4 6 10 1463.65 505.320 6 4 6 11 1094.56 431.357 4 -4 6 -11 806.008 435.127 10 4 6 11 749.689 458.784 6 -4 6 -12 722.769 507.079 3 4 6 12 1581.58 448.993 4 4 6 12 1406.08 546.915 6 -4 6 -13 494.059 405.554 10 4 6 14 5802.43 969.153 6 -4 7 17 2670.77 687.115 6 4 7 -16 15584.7 1404.77 11 -4 7 15 6759.42 1024.24 8 -4 7 15 4504.84 797.523 6 -4 7 14 23549.6 1767.54 8 -4 7 14 25061.6 1636.48 6 -4 7 13 11364.0 1218.59 8 -4 7 13 10792.2 1066.86 6 4 7 -13 11183.0 1327.47 3 4 7 -13 11084.3 1132.05 11 -4 7 12 19032.5 1503.97 8 4 7 -12 18650.1 1623.06 3 4 7 -12 22351.5 1520.37 11 -4 7 11 17332.0 830.243 4 -4 7 10 24958.2 1584.10 8 -4 7 9 16908.1 1269.73 8 4 7 -9 15873.1 1365.00 3 -4 7 8 60247.9 2248.33 8 -4 7 8 63159.4 1613.30 3 4 7 -8 66445.5 2619.88 3 4 7 -8 63470.8 2310.68 11 -4 7 7 19003.8 1089.74 10 4 7 -7 19817.8 1417.50 3 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1030.11 6 4 7 5 11573.2 1035.02 1 4 7 5 10330.0 839.469 11 -4 7 -6 45773.6 2037.77 10 4 7 6 40151.1 1806.31 6 4 7 6 41554.8 1698.49 4 4 7 6 41881.4 1940.37 1 4 7 7 4613.94 754.994 1 -4 7 -7 4827.59 777.373 3 -4 7 -7 4188.81 707.247 10 4 7 7 4787.42 580.930 11 -4 7 -8 23662.1 1536.53 10 4 7 8 22698.7 1313.55 4 -4 7 -9 10196.5 1161.31 3 4 7 9 11183.4 1115.31 6 4 7 9 9850.70 1046.11 1 4 7 9 9704.30 898.995 4 -4 7 -10 36062.0 2162.38 3 -4 7 -11 6884.62 927.778 10 -4 7 -11 9107.04 1191.85 3 4 7 11 8611.03 1078.67 6 4 7 11 7331.40 836.694 4 -4 7 -12 22924.1 1628.42 10 -4 7 -12 22631.8 1879.52 3 4 7 12 23992.2 1792.20 6 4 7 13 6376.89 1013.77 6 4 8 -16 2503.15 653.505 11 4 8 -15 17212.8 1776.43 3 4 8 -15 17243.1 1486.82 11 4 8 -14 2542.48 674.289 11 4 8 -14 2278.58 798.645 3 -4 8 14 4356.67 746.437 6 4 8 -13 4871.15 828.291 11 4 8 -13 5031.50 958.578 3 -4 8 13 7198.49 1018.18 8 4 8 -12 4791.92 827.155 11 4 8 -12 3684.80 825.971 3 -4 8 12 4882.07 841.155 8 -4 8 11 9949.08 1100.17 8 4 8 -11 9151.86 1168.58 3 4 8 -10 3282.38 670.752 11 4 8 -10 3529.89 761.645 3 -4 8 10 2433.84 595.647 8 -4 8 9 20681.3 1441.03 8 4 8 -9 20952.0 1591.85 3 4 8 -8 1980.08 559.518 11 4 8 -8 1958.28 605.500 3 -4 8 8 1676.34 492.258 8 -4 8 7 8244.06 785.100 10 -4 8 7 9568.08 924.129 8 4 8 -7 8838.16 939.879 1 -4 8 6 1550.81 432.605 10 4 8 -6 1691.68 506.084 1 4 8 -6 868.804 448.238 3 -4 8 6 2165.46 492.896 8 -4 8 5 3588.64 561.511 10 4 8 -5 3725.48 667.440 3 -4 8 5 3360.48 557.746 8 4 8 -4 1420.23 505.343 11 -4 8 4 2192.44 486.102 10 4 8 -4 1488.29 474.133 3 -4 8 4 1414.37 391.876 8 4 8 -4 1765.77 497.261 1 4 8 -3 3910.09 662.354 11 -4 8 3 3793.18 602.236 10 4 8 -3 3610.80 618.933 3 4 8 -3 4654.94 680.015 1 4 8 -2 461.638 401.541 11 -4 8 2 1037.02 405.289 10 4 8 -2 913.574 388.973 3 -4 8 2 934.109 327.891 3 4 8 -2 849.849 423.390 1 -4 8 1 4093.53 635.144 10 4 8 -1 3871.35 605.063 3 4 8 -1 3968.17 661.254 1 -4 8 0 536.882 362.961 10 4 8 0 1080.63 424.641 1 4 8 0 634.414 340.656 3 -4 8 -1 2696.97 555.141 10 4 8 1 2518.69 553.886 1 4 8 2 540.410 371.371 11 4 8 2-45.6508 271.669 3 4 8 2 652.171 406.848 1 4 8 3 7196.81 849.529 1 4 8 3 8164.89 788.740 3 4 8 3 7843.74 797.143 11 -4 8 -4 2556.03 577.110 10 4 8 4 2452.30 477.206 3 -4 8 -5 1489.57 473.696 3 -4 8 -5 1154.89 456.665 10 4 8 5 786.879 465.097 1 4 8 6-31.7922 293.480 11 -4 8 -6 700.516 402.647 3 4 8 6 512.325 286.596 4 -4 8 -6 665.905 406.514 10 4 8 6 613.916 387.022 6 4 8 7-576.812 435.601 1 -4 8 -7 944.881 476.885 3 -4 8 -7 664.371 427.340 10 4 8 7 194.452 383.375 6 -4 8 -8 343.617 374.478 10 4 8 8 595.160 415.319 6 4 8 8 300.584 323.063 3 4 8 9 828.919 341.788 4 -4 8 -9 681.202 445.771 10 4 8 9-194.032 419.833 1 -4 8 -10 1221.29 602.804 3 4 8 10 968.248 504.861 6 -4 8 -11 409.640 510.417 3 -4 8 -11 1178.84 591.713 10 4 8 11 822.157 499.691 6 -4 8 -12 717.234 546.837 3 -4 8 -12 506.510 389.382 10 -4 8 -13 443.157 426.058 10 4 8 13 417.133 441.302 6 4 9 -14 1188.86 611.058 3 -4 9 13 26484.9 1914.28 8 4 9 -13 24821.7 2013.72 3 4 9 -13 27613.4 1843.16 11 4 9 -12 157.055 419.476 11 4 9 -11 29069.4 2038.76 3 4 9 -11 27663.0 1777.02 11 4 9 -10 1214.97 553.332 11 4 9 -10 697.774 493.593 3 -4 9 9 46159.2 1801.13 10 -4 9 9 44428.3 2138.84 8 4 9 -9 45242.9 2374.66 3 4 9 -9 46370.7 2203.40 11 -4 9 8 1225.15 390.654 10 4 9 -7 48483.8 2304.57 3 4 9 -7 49177.7 2190.44 11 4 9 -6 2283.21 599.675 1 4 9 -6 2886.90 646.774 11 4 9 -6 2449.33 600.161 3 -4 9 6 1440.51 444.263 8 -4 9 5 38068.0 1735.04 10 -4 9 5 34905.5 1645.54 8 4 9 -5 35697.0 1827.45 1 4 9 -5 35057.3 1805.62 11 4 9 -4 1473.57 514.244 11 4 9 -4 1653.17 508.556 1 -4 9 4 2297.87 519.222 10 4 9 -4 2492.48 579.591 3 -4 9 3 46915.9 1976.43 10 4 9 -3 48072.2 2082.87 1 4 9 -3 47261.3 2032.84 3 -4 9 2 1839.73 486.984 10 4 9 -2 1969.34 498.987 3 -4 9 1 34316.7 1733.32 10 4 9 -1 37720.8 1855.18 1 4 9 -1 36427.7 1697.70 3 -4 9 1 37442.7 1542.00 3 4 9 -1 34074.0 1724.76 11 4 9 0 1291.85 495.572 1 -4 9 0 457.668 363.869 10 4 9 0 455.101 337.268 3 4 9 1 39515.8 1918.36 1 -4 9 -1 42976.7 1987.40 10 4 9 1 41131.7 1726.16 3 4 9 2 562.044 393.918 11 -4 9 -2-150.522 313.985 3 -4 9 -2 536.496 364.083 10 4 9 2 800.537 366.840 3 4 9 2 485.044 403.380 1 -4 9 -3 28299.7 1672.23 10 -4 9 -3 27488.1 1523.33 3 4 9 3 28656.8 1413.82 3 4 9 3 27204.1 1649.62 1 -4 9 -4 1082.68 421.942 3 -4 9 -4 1499.95 511.258 10 4 9 4 1076.46 489.027 1 4 9 4 1515.61 423.678 3 -4 9 -5 41050.5 2066.31 10 -4 9 -5 36504.3 1877.68 3 4 9 5 34760.8 1915.11 1 4 9 5 36463.1 1723.06 11 4 9 6 1844.74 495.586 11 4 9 6 1594.32 397.404 4 -4 9 -6 2588.05 612.305 10 4 9 6 1777.19 430.542 3 -4 9 -6 2674.88 626.484 3 4 9 7 19998.7 1447.60 6 4 9 7 19254.5 1256.96 11 -4 9 -8 884.189 462.770 10 -4 9 -9 28099.2 1860.41 10 4 9 9 29032.0 1857.09 6 -4 9 -11 26327.6 1864.81 10 4 9 11 24182.4 1821.79 6 -4 10 13 14303.6 1475.49 8 4 10 -13 13436.8 1362.31 1 4 10 -13 15139.8 1443.90 11 4 10 -12 1641.76 670.728 3 4 10 -12 1070.29 548.445 1 -4 10 12 2844.00 713.438 8 -4 10 11 7902.61 1045.58 8 4 10 -11 9092.81 1098.94 1 4 10 -11 9412.79 1244.74 3 4 10 -11 8947.04 1103.53 11 4 10 -10 3610.92 763.285 11 4 10 -10 4134.83 851.928 3 -4 10 10 3254.43 727.605 8 4 10 -10 4317.70 802.310 1 4 10 -9 11355.1 1176.47 1 4 10 -8 412.569 446.479 11 4 10 -8 461.901 439.767 1 -4 10 8 202.640 303.882 10 4 10 -8-44.2993 375.692 3 -4 10 8 708.499 413.852 8 -4 10 7 6634.25 797.806 10 -4 10 7 5596.40 784.418 8 4 10 -7 6081.10 888.648 1 -4 10 6 2880.51 568.363 10 4 10 -6 3443.83 683.477 1 4 10 -6 2823.69 672.053 3 -4 10 5 7088.92 840.943 10 4 10 -5 7685.17 944.378 1 4 10 -5 7298.80 935.512 3 4 10 -4 3001.19 668.398 11 -4 10 4 1988.63 505.965 10 -4 10 3 13743.0 1154.23 10 4 10 -3 12744.7 1158.46 11 4 10 -2 4249.74 736.967 1 4 10 -2 2637.89 569.396 3 -4 10 2 3800.20 504.315 3 4 10 -1 2838.12 625.074 11 -4 10 1 2657.44 456.727 3 4 10 -1 3150.77 666.537 1 -4 10 1 2627.63 589.128 10 -4 10 0 772.226 332.350 3 -4 10 0 1089.41 486.193 10 4 10 0 1574.51 463.895 3 4 10 1-251.821 361.679 11 -4 10 -1 960.748 374.825 3 4 10 1 742.627 441.814 1 4 10 2 1767.74 512.554 11 -4 10 -2 1617.75 474.728 3 -4 10 -2 2301.43 599.991 10 4 10 2 2101.02 477.750 3 4 10 2 1962.80 577.915 1 -4 10 -3 6793.92 901.869 10 -4 10 -3 5531.96 746.384 3 -4 10 -4 2172.98 563.485 3 -4 10 -4 3034.20 668.943 10 4 10 4 2236.40 456.570 3 -4 10 -5 507.955 402.690 3 -4 10 -5 89.3133 407.233 10 4 10 6-807.183 455.774 11 4 10 6 356.254 451.624 1 -4 10 -6 396.362 438.501 10 -4 10 -7 536.328 480.306 3 -4 10 -7 1263.39 538.194 10 4 10 7-6.03096 439.291 1 -4 10 -8 75.5621 437.419 3 4 10 8 637.276 564.895 1 -4 10 -9 1489.30 594.228 10 4 10 9 1192.48 538.322 6 4 10 9 392.191 508.224 1 -4 10 -10 741.254 503.400 3 -4 10 -11 755.090 540.821 3 -4 10 -11 1208.30 584.995 10 -4 10 -12-156.139 404.661 10 4 11 -13 166.685 481.079 11 4 11 -13 2055.11 638.661 1 4 11 -12 13068.9 1365.14 1 4 11 -12 12446.4 1482.71 3 4 11 -11 2862.57 714.660 1 4 11 -11 3386.49 880.716 3 4 11 -10 12805.8 1413.52 3 -4 11 9 1919.22 517.740 10 4 11 -9 2969.01 791.715 3 4 11 -9 2292.51 651.943 1 -4 11 8 17943.3 1290.74 10 4 11 -8 16005.8 1414.57 1 4 11 -8 17256.9 1485.21 11 4 11 -7 3812.10 759.403 1 -4 11 7 2834.82 606.231 10 -4 11 6 19369.6 1375.96 10 4 11 -6 22845.9 1611.84 1 4 11 -6 22017.2 1621.13 3 4 11 -5 2413.09 658.475 11 4 11 -5 2800.39 681.217 3 4 11 -4 18733.9 1449.41 1 -4 11 4 19207.6 1398.77 10 4 11 -4 20277.9 1514.03 11 -4 11 3 9341.21 1013.24 10 4 11 -3 11404.8 1167.91 1 4 11 -2 27013.4 1728.89 1 -4 11 2 26228.5 1202.10 3 4 11 -2 27732.3 1601.66 3 -4 11 2 25448.4 1634.14 10 -4 11 1 6715.53 887.141 10 4 11 -1 6559.17 927.318 1 -4 11 1 5769.71 641.630 3 4 11 -1 7369.96 850.937 3 4 11 0 36052.7 2004.85 1 -4 11 0 38494.2 2035.83 10 -4 11 0 36833.8 1594.95 3 4 11 0 41427.0 1838.81 3 4 11 0 37485.9 1974.98 11 -4 11 -1 5787.84 709.386 3 4 11 1 8026.73 833.717 3 -4 11 -2 21709.1 1602.31 10 4 11 2 23730.4 1338.53 3 4 11 2 22321.0 1621.12 1 4 11 3 7715.66 780.278 3 4 11 4 22085.6 1661.81 1 4 11 4 25544.7 1331.61 3 4 11 4 23640.7 1577.84 11 -4 11 -5 9743.75 1067.04 3 4 11 5 10304.7 1196.45 1 -4 11 -6 31005.5 1916.00 3 4 11 6 30331.3 1773.98 11 -4 11 -7 12037.9 1307.30 10 -4 11 -7 13060.6 1328.07 3 4 11 7 9519.55 1224.79 1 4 11 7 9836.91 1047.59 11 -4 11 -8 18753.1 1643.57 3 -4 11 -9 4663.64 919.786 3 -4 11 -9 5540.33 982.530 10 4 11 9 4484.20 948.526 1 -4 11 -10 19335.1 1723.67 10 -4 11 -10 19286.0 1779.29 3 4 12 -11 895.049 583.057 11 4 12 -11-150.726 561.116 3 4 12 -10 9764.18 1194.88 1 4 12 -10 10172.8 1229.63 11 4 12 -9 2305.72 651.553 1 -4 12 9 1619.40 487.933 10 4 12 -9 838.004 591.117 3 4 12 -8 3871.84 844.371 11 4 12 -8 3935.20 833.948 3 4 12 -8 6464.00 982.840 1 -4 12 7 224.977 358.569 10 4 12 -7 59.1440 391.490 3 4 12 -7 816.179 461.240 1 -4 12 6 5698.98 850.090 10 4 12 -6 6109.61 942.424 1 4 12 -5-118.804 438.228 3 4 12 -5-248.929 433.339 1 -4 12 4 6870.30 939.595 10 4 12 -4 6072.33 885.300 3 4 12 -4 9228.25 1112.60 11 4 12 -3 527.446 455.667 11 4 12 -3-45.2322 411.050 1 -4 12 3 424.182 450.855 10 4 12 -3-935.968 459.158 3 4 12 -2 3136.15 728.427 11 -4 12 2 3961.26 761.736 10 4 12 -2 2620.19 592.404 3 4 12 -2 4219.88 829.396 1 4 12 -1 375.921 471.345 11 -4 12 1 589.462 314.355 3 4 12 -1 527.684 501.065 1 -4 12 0 4411.17 812.911 10 4 12 0 3389.75 619.201 3 4 12 0 3174.57 733.050 1 4 12 0 3979.81 768.039 11 4 12 1 629.569 477.626 11 4 12 1 681.095 477.379 1 -4 12 -2 2540.46 590.045 3 -4 12 -2 3098.20 702.329 10 4 12 2 2376.34 708.936 1 4 12 2 3025.30 579.624 3 -4 12 -3 1097.14 521.088 10 -4 12 -4 951.992 457.317 3 -4 12 -4 2165.45 676.505 10 4 12 4 1284.35 602.143 1 4 12 5 633.614 489.851 11 -4 12 -5-235.529 418.265 3 4 12 5 354.539 475.002 1 -4 12 -5 555.788 482.868 10 4 12 6 3280.13 727.234 11 -4 12 -6 2278.13 710.782 3 -4 12 -6 2793.47 770.033 10 -4 12 -7 582.709 489.581 10 4 12 7 553.361 529.104 1 4 12 8 1069.48 645.439 1 4 12 8 728.800 340.177 11 -4 12 -9 1007.39 586.775 10 -4 12 -9-30.8711 449.919 3 4 13 -10 6528.29 1148.00 3 4 13 -10 7020.95 1085.30 1 4 13 -9 8313.34 1127.11 1 4 13 -9 9085.67 1215.47 11 -4 13 8 9107.39 1042.87 10 4 13 -8 10398.5 1250.26 1 4 13 -8 10715.0 1309.12 3 4 13 -7 2922.64 777.013 11 -4 13 7 1944.29 583.397 10 -4 13 6 12691.0 1248.46 10 4 13 -6 12674.2 1330.13 3 4 13 -6 13186.8 1387.24 11 4 13 -5 5993.50 979.087 11 -4 13 5 5587.58 875.804 10 4 13 -5 4763.32 863.079 3 -4 13 4 12032.2 1244.90 10 4 13 -4 14134.6 1397.74 1 4 13 -4 10883.5 1180.83 3 4 13 -3 6132.08 986.188 11 -4 13 3 6608.52 965.990 10 4 13 -3 5595.28 847.494 3 4 13 -2 21758.3 1709.68 1 4 13 -2 20867.1 1473.10 3 4 13 -1 7053.61 1007.09 1 -4 13 1 5603.67 935.699 10 4 13 -1 7545.68 916.226 3 -4 13 0 19518.0 1631.38 10 4 13 1 3567.18 782.492 11 -4 13 -1 4560.94 858.802 10 -4 13 -2 20792.9 1719.64 10 -4 13 -2 21285.3 1431.82 3 4 13 2 19658.9 1593.73 11 4 13 3 4485.74 873.429 11 -4 13 -4 24502.8 1893.30 10 -4 13 -4 23456.7 1630.09 3 4 13 4 25311.5 1788.57 11 4 13 5 3219.86 738.698 11 -4 13 -5 3778.21 867.877 10 -4 13 -6 20634.8 1816.33 10 -4 13 -6 20894.4 1699.78 3 4 13 6 17557.2 1685.56 1 4 13 6 21962.3 1674.68 11 -4 13 -7 5667.04 1012.72 3 -4 13 -8 15425.4 1578.02 3 4 14 -9 7558.36 1247.06 3 -4 14 8 624.537 465.019 10 4 14 -8 1885.56 657.228 1 4 14 -8 574.719 572.226 3 4 14 -7 3277.57 848.360 3 4 14 -6 2436.96 743.128 1 4 14 -5 1463.96 654.589 1 -4 14 5 1660.45 601.151 10 4 14 -4 337.501 494.660 11 -4 14 4-318.911 423.969 10 4 14 -4-16.0161 451.577 3 4 14 -4 236.414 485.222 1 4 14 -3 2999.19 826.374 11 -4 14 3 2450.21 709.550 10 4 14 -3 2270.31 630.319 3 4 14 -2-345.618 497.875 11 -4 14 2 157.121 465.664 10 4 14 -2-12.0519 452.630 1 -4 14 1 1230.60 542.645 10 4 14 0-73.9747 503.747 1 -4 14 -1 1518.57 595.028 10 4 14 1 843.453 530.207 1 4 14 2-110.674 480.134 11 -4 14 -3 1758.44 718.009 10 -4 14 -5 701.611 490.340 3 4 14 6 917.174 566.146 11 -4 14 -6-640.985 520.312 3 -4 14 -7-280.049 373.832 3 4 14 7 1070.02 588.420 11 4 15 -8-1.91874 525.864 3 -4 15 7 10325.7 1221.71 10 4 15 -7 6734.11 1134.09 3 -4 15 6 898.435 500.600 10 4 15 -6 129.950 439.368 3 4 15 -5 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5 6 8 627.994 396.047 4 -5 6 -8 987.247 464.456 10 5 6 8 1029.84 425.533 6 5 6 8 826.544 448.139 1 -5 6 -9 385.476 464.108 3 5 6 9 1123.59 505.910 1 -5 6 -10 4582.92 891.029 3 -5 6 -10 3981.90 744.604 10 5 6 11 470.336 472.105 6 -5 6 -12 7206.74 1142.28 3 5 6 12 7182.24 970.363 4 5 6 13 1050.16 554.431 6 5 7 -16 13383.5 1382.11 11 5 7 -15 6777.64 1034.61 11 -5 7 15 6470.85 1034.24 8 -5 7 14 17291.6 1579.46 8 5 7 -14 15440.9 1642.31 3 5 7 -14 17429.3 1490.12 11 -5 7 12 16025.5 1417.53 8 5 7 -12 18503.7 1488.45 11 -5 7 11 9480.33 1071.45 8 5 7 -11 10675.1 1128.96 11 -5 7 10 24351.2 1293.48 10 5 7 -10 24473.3 1808.03 3 5 7 -10 25752.0 1653.57 11 -5 7 9 9616.13 850.785 10 -5 7 9 9604.19 717.066 4 -5 7 8 53240.8 1952.21 10 5 7 -8 55200.4 2533.03 3 5 7 -8 52181.1 2237.61 11 -5 7 7 6726.55 752.966 10 -5 7 7 6617.52 780.070 8 5 7 -7 6268.13 917.062 3 -5 7 6 48431.8 1906.76 10 5 7 -6 46787.6 2087.81 1 5 7 -6 47630.8 2243.67 3 5 7 -6 47996.6 2070.11 11 -5 7 5 2024.64 485.453 10 5 7 -5 2555.66 615.575 3 5 7 -5 2346.45 565.380 1 -5 7 4 50033.3 1777.74 8 5 7 -4 50230.3 2048.86 11 -5 7 3 25170.4 1434.58 10 -5 7 3 26882.3 1239.78 8 5 7 -3 27482.2 1569.26 1 5 7 -3 27040.0 1502.40 11 5 7 -2 69969.6 2502.72 3 5 7 -2 67347.9 2307.28 11 -5 7 1 14930.4 1149.90 10 5 7 -1 15551.3 1195.30 3 5 7 -1 14884.3 1112.54 11 -5 7 0 39938.3 1855.59 10 5 7 0 37221.8 1800.13 1 5 7 0 42440.4 1908.24 3 5 7 0 41178.1 1778.26 11 -5 7 -1 7013.17 832.120 10 5 7 1 7665.37 860.412 3 -5 7 -2 76658.2 2629.80 10 5 7 2 69001.0 2457.78 1 5 7 2 77809.0 2555.26 3 5 7 2 72068.4 2290.79 11 -5 7 -3 14274.8 1191.98 10 -5 7 -4 65220.5 2510.27 10 5 7 4 66034.2 2373.67 3 5 7 4 61307.5 2069.46 11 5 7 5 17105.4 1310.74 1 5 7 5 19275.1 1327.22 3 -5 7 -6 46775.1 2206.33 10 5 7 6 43557.7 1933.13 6 5 7 6 41463.7 1917.23 4 5 7 6 38969.9 1966.03 1 5 7 6 40888.4 1648.04 11 5 7 6 43001.7 1954.12 3 5 7 7 6311.35 883.188 1 -5 7 -7 8687.89 1016.92 10 -5 7 -7 8425.21 1053.53 3 5 7 7 8506.55 938.137 6 5 7 7 8604.82 923.781 4 5 7 7 8205.15 918.985 3 -5 7 -8 27404.1 1869.21 3 5 7 8 24732.3 1604.05 6 5 7 8 23202.5 1489.00 4 5 7 9 17377.5 1325.54 3 -5 7 -9 17965.1 1478.51 10 -5 7 -9 20284.4 1673.14 3 5 7 9 17563.3 1416.40 6 5 7 9 18043.5 1441.53 1 5 7 9 17944.8 1333.09 4 -5 7 -10 24568.5 1903.43 3 5 7 10 24911.4 1735.37 6 5 7 10 23298.9 1552.70 4 -5 7 -11 7535.86 1171.31 3 5 7 11 10928.4 1230.13 6 5 8 -14 791.013 598.057 3 5 8 -13 7754.03 1090.65 11 5 8 -13 5765.37 1085.20 3 -5 8 12 605.256 466.385 8 5 8 -11 3723.10 791.093 11 5 8 -11 3410.73 822.755 3 5 8 -10 291.447 460.166 11 -5 8 10 122.102 292.029 10 5 8 -10 970.980 550.181 3 -5 8 9 6540.65 755.686 10 5 8 -9 7375.88 1055.59 3 5 8 -9 9590.25 1075.81 11 -5 8 8 1059.64 402.280 10 5 8 -8 695.382 462.710 3 -5 8 8 1349.48 456.260 8 5 8 -7 3602.36 717.143 11 -5 8 7 2659.05 553.291 10 5 8 -7 1867.69 560.122 1 5 8 -7 2596.84 668.258 3 5 8 -6 1545.97 539.240 11 5 8 -6-110.767 380.698 3 5 8 -5-240.765 421.890 11 5 8 -5 784.337 451.312 1 -5 8 5 332.165 306.053 8 5 8 -5 572.383 415.953 3 -5 8 4-73.1054 319.735 10 -5 8 4 173.925 263.705 8 5 8 -4 411.370 414.623 1 -5 8 3 884.238 329.723 8 5 8 -3 938.287 456.153 3 5 8 -2-51.1612 358.186 1 5 8 -1 984.320 491.915 11 -5 8 1 1538.96 467.474 10 5 8 -1 1439.75 487.220 3 5 8 -1 943.059 466.921 1 -5 8 0 981.006 436.109 10 5 8 0 416.364 396.899 1 5 8 0 874.410 403.393 3 5 8 1 1059.08 471.170 11 5 8 1 1780.92 533.860 1 -5 8 -1 1307.23 460.009 10 5 8 2 547.697 362.202 11 -5 8 -2 481.222 362.969 10 5 8 2 408.178 393.948 3 5 8 2 393.949 412.277 1 5 8 3 300.120 362.267 11 -5 8 -3 522.807 380.846 10 5 8 3 491.535 398.434 3 5 8 3 288.042 406.601 1 -5 8 -4 486.210 429.172 10 5 8 4 1078.59 432.915 3 5 8 5 650.513 474.873 1 5 8 5 1086.40 454.300 3 5 8 6 1845.43 487.584 4 -5 8 -6 1004.36 500.276 10 5 8 6 1398.85 466.529 6 5 8 6 1851.32 527.272 3 -5 8 -7 2832.74 718.538 3 5 8 7 2114.11 616.661 1 5 8 7 2674.59 576.292 4 -5 8 -7 3191.09 685.284 10 5 8 7 1959.84 540.621 3 -5 8 -8 1668.47 592.931 3 5 8 8 894.337 435.906 4 -5 8 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40210.1 2036.22 1 5 9 -3 41636.7 2068.92 3 5 9 -3 42905.3 2054.43 11 5 9 -2 1299.95 540.287 11 5 9 -2 471.872 439.508 1 5 9 -1 39619.8 2017.48 1 5 9 -1 42096.7 2000.93 3 5 9 -1 41303.1 1976.17 11 5 9 0 1.14686 413.400 11 -5 9 0 696.830 408.576 10 5 9 0 1197.08 478.569 3 -5 9 -1 44512.4 2152.60 10 5 9 1 40329.4 2056.96 1 5 9 1 43419.0 1992.21 11 5 9 2 2787.85 604.125 11 -5 9 -2 4189.20 743.020 10 5 9 2 2596.00 562.296 3 5 9 2 2422.32 646.146 1 5 9 3 41449.7 2132.43 1 -5 9 -3 45472.2 2236.57 10 5 9 3 42371.6 1930.57 3 -5 9 -4 1991.67 548.906 3 5 9 4 567.266 471.662 1 5 9 4 1110.37 444.512 3 -5 9 -5 41430.9 2152.91 3 5 9 5 39584.9 2132.08 1 5 9 5 45088.6 1979.30 3 5 9 5 43426.7 1939.95 11 5 9 6 2296.48 550.690 11 -5 9 -6 1937.32 622.527 3 -5 9 -6 2529.01 661.388 10 -5 9 -7 32870.2 2032.45 10 -5 9 -7 29019.5 1936.39 3 -5 9 -8 1190.78 588.737 3 -5 9 -8 546.576 447.602 10 5 9 8 506.795 416.530 6 -5 9 -9 38360.5 2263.60 10 -5 9 -9 41586.4 2469.95 3 5 9 9 39173.7 2191.56 6 5 9 9 34920.1 2150.20 1 -5 9 -10-63.8158 369.243 10 5 10 -13 4246.02 916.877 11 5 10 -12 2148.12 712.007 11 -5 10 12 2465.97 670.760 8 5 10 -10 2535.33 775.345 3 -5 10 10 1997.05 598.502 8 5 10 -9 541.724 477.105 11 5 10 -9 548.389 476.309 1 -5 10 9 979.334 499.226 8 5 10 -8-174.152 452.369 11 5 10 -8 501.076 473.304 1 -5 10 8-164.769 350.121 10 -5 10 8 592.569 433.533 8 5 10 -7 885.788 541.596 11 -5 10 7 1022.56 462.469 10 5 10 -7 1073.53 562.115 3 -5 10 7 1385.49 481.267 8 5 10 -7 736.269 479.533 1 5 10 -6 2406.18 657.205 11 -5 10 6 2099.27 560.922 10 5 10 -6 1694.51 615.573 1 5 10 -6 1514.23 584.786 3 -5 10 6 1864.82 512.569 8 5 10 -5 354.227 507.830 11 5 10 -5-379.209 423.521 1 -5 10 4 2850.25 620.356 10 5 10 -4 3048.08 666.762 3 5 10 -3-128.112 454.011 11 -5 10 3 635.398 427.977 10 5 10 -3 410.366 441.213 1 5 10 -2 632.721 476.602 11 -5 10 2 505.494 400.087 10 5 10 -2 832.676 430.947 3 5 10 -1 215.591 415.446 11 -5 10 1 9.37989 365.922 10 5 10 -1 670.042 458.431 3 -5 10 0 65.8854 329.454 10 5 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6779.45 1086.49 11 7 10 -5 4724.61 951.096 1 -7 10 4 2880.75 740.713 10 7 10 -3 6504.39 1034.71 11 -7 10 3 7566.29 1074.82 10 7 10 -3 9071.94 1208.20 1 7 10 -3 6559.96 1055.52 3 7 10 -2-158.169 525.575 11 -7 10 2 965.319 521.549 10 7 10 -2 1080.16 598.379 1 7 10 -1 5957.71 974.299 11 7 10 -1 5681.45 1004.58 1 -7 10 1 5901.21 987.345 10 7 10 -1 5674.86 1008.39 3 7 10 0 1834.93 706.632 3 7 10 0 1065.51 624.160 1 -7 10 -1 14316.7 1503.86 10 7 10 1 13991.4 1438.58 3 7 10 1 14368.7 1365.18 11 -7 10 -2 2768.77 780.727 10 7 10 2 1019.54 611.452 1 7 10 3 5478.60 901.429 11 7 10 3 6191.56 1013.19 3 7 10 4 1415.76 673.676 1 7 10 5 5741.23 1065.72 1 -7 11 8 8166.99 1105.37 10 7 11 -6 16477.3 1691.53 3 -7 11 5 900.883 540.877 10 7 11 -5 641.462 515.153 3 7 11 -4 11196.1 1391.93 3 7 11 -4 10461.1 1317.48 11 7 11 -3 1810.08 722.139 11 -7 11 3 4302.45 911.429 10 7 11 -3 3937.77 907.298 3 -7 11 2 12691.8 1426.92 10 7 11 -1 5224.97 952.695 11 7 11 0 18822.3 1612.36 11 7 11 1 3078.07 768.491 11 -7 11 -2 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13788.0 1351.52 10 8 4 1 15226.7 1534.93 3 8 4 1 15631.4 1212.68 11 8 4 3 21350.0 1459.33 1 -8 4 -3 22333.8 1742.88 10 8 4 3 19633.9 1748.02 3 -8 4 -4 14574.2 1445.88 10 8 4 4 14696.2 1523.63 4 8 4 4 15187.4 1554.83 3 8 4 5 14537.0 1523.34 4 8 4 5 14833.0 1559.84 3 -8 5 12 13619.5 1412.13 8 -8 5 11 8881.52 1029.78 4 -8 5 11 8756.39 1110.01 8 -8 5 10 8035.49 988.082 10 -8 5 10 8302.41 1046.15 8 -8 5 9 3677.14 739.812 10 -8 5 9 4229.57 763.160 8 -8 5 9 4232.26 761.077 4 8 5 -9 3954.19 945.193 3 -8 5 8 15424.8 1365.85 10 -8 5 8 15419.4 1328.59 8 8 5 -8 13472.4 1535.32 3 -8 5 7 2414.73 645.073 10 -8 5 7 2406.83 598.294 8 -8 5 6 11264.3 1186.61 10 -8 5 6 11697.3 1075.11 8 8 5 -6 11652.7 1265.29 1 8 5 -6 10980.5 1358.26 3 -8 5 5 7564.83 997.208 10 -8 5 4 11766.1 1233.72 10 8 5 -4 11143.6 1336.89 3 -8 5 3 4398.87 839.914 10 8 5 -3 3920.03 790.894 1 8 5 -2 12749.2 1204.98 11 -8 5 1 2046.75 609.719 10 8 5 -1 1735.13 665.548 3 -8 5 0 10923.3 1226.67 10 8 5 0 9958.28 1110.61 1 8 5 0 11618.3 1355.46 3 8 5 1 2968.17 667.317 1 -8 5 -1 3570.74 794.520 10 8 5 1 2957.25 786.149 3 8 5 2 5944.18 793.377 11 8 5 2 6391.65 903.742 1 -8 5 -3 4035.75 821.379 10 8 5 3 2416.10 662.196 1 8 5 3 3551.85 859.087 3 8 5 4 11258.6 1347.93 4 8 5 4 10235.2 1328.48 3 8 5 5 4762.98 966.261 4 -8 5 -5 6012.11 993.189 10 8 5 5 5321.62 1042.70 3 8 5 6 7670.49 1143.38 4 8 5 6 5872.39 1090.73 3 -8 6 10 7477.18 969.150 10 -8 6 10 6350.91 952.095 8 8 6 -9 573.223 573.752 3 8 6 -8 18027.5 1615.08 1 -8 6 7 981.054 447.251 10 -8 6 7 789.081 409.944 8 -8 6 6 12883.7 1293.19 10 -8 6 6 11942.8 1097.54 8 8 6 -6 10685.6 1265.72 1 8 6 -6 13341.2 1490.84 3 -8 6 5 328.532 432.801 10 -8 6 5 585.934 341.331 8 -8 6 4 22516.1 1710.96 10 8 6 -4 24808.0 1734.81 11 -8 6 3 480.390 451.297 10 -8 6 2 27273.1 1892.75 10 8 6 -2 24112.0 1737.64 1 8 6 -2 26736.8 2015.09 3 8 6 -1 49.3042 426.565 11 -8 6 1 1002.80 506.424 10 8 6 -1-102.504 486.534 1 8 6 -1 664.534 578.465 3 -8 6 0 23428.6 1797.30 10 8 6 0 21921.4 1630.77 1 -8 6 -1 634.170 522.501 10 8 6 1 56.6683 503.837 3 8 6 1 219.931 506.367 1 -8 6 -2 19740.0 1687.13 10 8 6 2 18220.3 1702.44 3 8 6 2 19429.5 1402.84 11 8 6 3 35.9945 359.884 1 -8 6 -4 33397.0 2213.78 10 -8 7 11 2824.90 727.343 8 -8 7 10 9626.63 1148.86 8 -8 7 9 6070.01 893.469 10 -8 7 8 11498.7 1247.50 10 -8 7 8 11287.5 1175.24 8 8 7 -8 12591.8 1531.13 3 8 7 -8 15199.9 1522.01 11 8 7 -7 5280.42 1056.64 3 8 7 -7 7275.42 1109.47 1 8 7 -6 2052.39 715.367 1 -8 7 6 4298.64 804.078 10 8 7 -6 4446.17 958.756 3 8 7 -5 4812.29 995.919 3 8 7 -4 8023.47 1073.95 11 8 7 -4 8270.05 1185.07 3 8 7 -3 6195.54 953.960 11 8 7 -3 5514.54 1012.51 3 -8 7 2 13401.9 1391.59 10 8 7 -2 13607.6 1505.44 3 8 7 -1 3767.51 808.563 11 8 7 -1 2975.71 772.362 1 8 7 0 3217.56 803.082 1 -8 7 0 2562.70 690.647 10 8 7 0 2253.02 806.967 3 -8 7 -1 1823.93 654.906 10 8 7 2 6761.52 928.917 11 -8 7 -2 8578.29 1161.16 10 8 7 2 6432.37 1096.88 3 8 7 2 6082.09 990.007 1 8 7 3 2467.85 727.119 1 8 7 3 2245.43 762.280 3 8 7 4 6106.53 1022.36 4 8 7 4 7365.09 1199.84 3 8 7 5 2833.61 764.249 4 8 7 5 3210.77 902.785 3 -8 8 9 8063.50 1078.27 10 -8 8 9 6136.78 946.997 8 -8 8 8 8807.94 1126.38 10 -8 8 8 6829.19 940.421 8 -8 8 7 17164.1 1519.04 10 -8 8 6 2785.79 722.437 10 8 8 -6 3137.49 925.674 3 8 8 -6 2903.85 827.034 1 -8 8 5 8136.89 1112.91 10 8 8 -4 8685.25 1149.88 11 -8 8 4 7946.72 1114.84 10 8 8 -4 8621.62 1199.76 1 -8 8 3 14611.5 1474.92 10 8 8 -3 15737.9 1533.04 1 8 8 -3 12764.9 1488.95 3 8 8 -2 5025.33 922.035 11 -8 8 2 5309.60 957.791 10 8 8 -2 4392.21 904.829 1 8 8 -2 5841.35 1041.21 3 8 8 -1 16953.9 1663.43 3 8 8 -1 18768.9 1560.20 11 8 8 0 7035.20 1084.80 1 -8 8 0 8217.31 1153.17 10 8 8 1 11872.1 1410.84 3 8 8 2 2106.28 632.128 11 8 8 2 3829.46 943.718 3 8 8 3 12427.6 1431.77 3 8 8 3 13081.8 1383.92 1 8 8 4 6840.23 1100.76 4 8 8 4 6682.74 1136.02 3 -8 9 8 1131.25 536.922 10 -8 9 7 15294.4 1500.05 10 -8 9 5 14838.3 1478.77 10 8 9 -4 628.142 545.679 11 -8 9 4 984.990 538.152 10 8 9 -3 6690.72 1157.07 3 8 9 -1 10597.5 1376.36 3 8 9 0-142.829 478.459 11 8 9 0 1697.71 757.921 1 8 9 1 6110.85 954.138 11 8 9 1 7295.19 1200.77 3 8 9 2 384.198 572.014 1 8 9 2 1896.16 799.685 3 8 9 3 9043.33 1268.54 3 8 10 0-1327.67 616.917 11 9 -7 -5 4171.53 882.240 4 9 -7 -5 1641.82 611.601 3 9 -7 -4 64.7424 328.859 4 9 -7 -4 763.279 583.511 3 9 -7 -3 207.279 377.962 4 9 -7 -3-431.853 490.460 3 9 -6 -7 874.456 525.859 3 9 -6 -6 20574.7 1748.43 4 9 -6 -6 20829.4 1754.18 3 9 -6 -5 1256.15 572.832 4 9 -6 -5 179.822 477.549 3 9 -6 -4 21810.8 1826.52 4 9 -6 -4 22776.8 1872.34 3 9 -6 -3-1.90094 302.653 4 9 -6 -2 22511.2 1892.94 3 9 -5 -7 3876.35 872.243 3 9 -5 -3 2225.80 714.728 4 9 -5 -3 1962.14 694.895 3 9 -5 -2 5110.76 982.221 4 9 -5 -2 5435.61 980.320 3 9 -5 -1 1965.76 727.988 3 9 -4 -10 3188.55 765.960 3 9 -4 -9 13517.6 1467.56 3 9 -4 -8 14137.6 1467.89 3 9 -4 -7 6287.74 1055.96 3 9 -4 -6 4575.04 908.712 3 9 -4 -5 15459.8 1573.21 3 -9 -4 4 9401.54 1216.24 10 -9 -4 4 9096.79 1249.78 4 9 -4 -4 8871.01 1216.82 3 -9 -4 3 17049.5 1619.82 10 9 -4 -3 16703.2 1635.11 3 -9 -4 2 10498.5 1273.56 10 9 -4 -2 12534.5 1445.33 4 9 -4 -2 11615.5 1389.32 3 9 -4 -1 14210.1 1548.02 3 9 -4 0 10615.8 1375.06 4 9 -4 0 9960.64 1325.14 3 9 -3 -10-885.424 557.625 3 -9 -3 8 885.299 468.712 10 -9 -3 7 6216.02 1008.82 10 -9 -3 6 487.967 460.540 10 -9 -3 6 905.399 518.009 4 9 -3 -6 405.576 459.046 3 9 -3 -5 4229.87 912.559 3 -9 -3 4 2773.35 728.507 10 -9 -3 4 1998.16 673.988 4 9 -3 -4 586.126 537.420 3 -9 -3 3 5080.40 940.980 10 -9 -3 3 5130.58 962.536 4 9 -3 -3 5139.26 997.163 3 9 -3 -2 1027.66 587.145 4 -9 -3 2 973.311 539.001 4 9 -3 -2 1828.66 681.135 3 9 -3 -1 3009.98 825.778 4 -9 -3 1 2243.66 677.049 10 9 -3 -1 731.271 560.378 3 -9 -3 0 971.987 521.836 10 -9 -2 10 8660.94 1128.02 10 9 -2 -10 10751.0 1357.25 3 -9 -2 8 3336.07 804.165 10 -9 -2 7 23726.4 1828.21 10 9 -2 -7 21250.1 1842.74 3 -9 -2 6 9404.88 1190.52 10 -9 -2 6 8365.70 1187.19 4 9 -2 -6 8389.58 1192.06 3 -9 -2 5 25533.8 1963.18 4 9 -2 -5 26435.8 2050.63 3 -9 -2 4 6084.89 991.032 10 -9 -2 4 5000.99 941.104 4 -9 -2 3 23238.8 1830.73 10 9 -2 -3 24939.4 2008.12 3 -9 -2 2 7364.82 1077.47 10 -9 -2 1 18856.7 1664.87 10 9 -2 -1 16811.3 1670.78 4 9 -2 -1 16875.8 1668.98 3 9 -2 0 5809.75 1073.66 4 -9 -2 0 4362.83 897.991 10 9 -2 0 2883.40 833.508 3 9 -2 1 21061.3 1894.49 4 9 -2 1 24669.2 2053.58 3 -9 -1 10 10058.1 1214.01 10 -9 -1 9 1434.05 575.741 10 9 -1 -9 324.153 423.119 3 -9 -1 8 4784.65 886.228 10 -9 -1 8 4651.38 938.325 4 9 -1 -8 5693.41 1041.35 3 -9 -1 7 1432.04 610.509 4 9 -1 -7 933.237 630.549 3 -9 -1 6 3388.39 738.370 10 9 -1 -6 3759.90 925.328 3 -9 -1 5 4186.23 891.343 10 -9 -1 5 3230.47 789.865 4 9 -1 -5 4172.80 909.586 3 9 -1 -4 6893.21 1133.10 3 -9 -1 3 3171.34 758.079 10 -9 -1 3 3641.12 848.411 4 -9 -1 2 3592.95 820.583 10 9 -1 -2 1899.41 736.017 3 -9 -1 1 1307.83 612.401 10 9 -1 -1 815.933 626.468 3 9 -1 0 3642.11 895.257 4 -9 -1 0 6107.52 1000.84 10 9 -1 0 3824.48 932.086 3 9 -1 1 2106.64 784.069 3 -9 0 11 1015.59 423.577 10 -9 0 9 575.968 375.366 10 -9 0 9 459.661 438.011 4 9 0 -9 514.948 499.150 3 -9 0 8 25790.5 1959.46 4 9 0 -8 27565.7 2141.69 3 -9 0 7-121.506 426.674 10 -9 0 6 32200.7 2086.11 10 -9 0 6 33138.4 2188.86 4 9 0 -6 30988.2 2247.74 3 -9 0 5 1276.63 555.088 4 9 0 -5 299.764 527.765 3 -9 0 4 44173.5 2453.71 10 9 0 -3 1097.33 581.226 3 -9 0 2 66527.0 3023.92 10 9 0 -2 68078.4 3305.30 3 -9 0 1 351.110 411.903 10 9 0 -1 205.078 548.451 3 9 0 0 29986.8 2240.76 3 9 0 1-124.964 416.928 4 -9 0 -1 262.421 414.844 10 9 0 1 433.515 502.873 3 -9 1 9 1815.05 644.282 10 -9 1 9 1861.27 631.888 4 -9 1 8 4360.29 843.103 10 -9 1 8 4804.98 882.013 4 9 1 -8 5295.72 1076.58 3 -9 1 7 820.046 537.482 10 -9 1 7 906.045 534.911 4 9 1 -7 1901.23 704.267 3 -9 1 6 3331.90 778.838 10 -9 1 6 3148.52 779.889 4 -9 1 5 5661.25 947.126 10 -9 1 5 4884.44 898.520 4 9 1 -5 4121.14 949.159 3 9 1 -4 5884.27 915.146 1 -9 1 3 4269.21 861.302 10 9 1 -3 4568.29 972.618 3 -9 1 2 3369.93 804.976 10 9 1 -2 3442.51 704.788 1 9 1 -2 2689.55 852.710 3 -9 1 1-313.413 446.103 10 9 1 -1 1562.90 695.625 3 -9 1 0 3623.70 812.171 10 9 1 0 4161.76 946.035 3 9 1 1 1815.65 686.561 4 9 1 1 915.809 638.258 3 -9 2 11 25622.4 1807.43 10 -9 2 10 7566.28 1055.35 8 -9 2 10 8979.43 1158.96 4 -9 2 9 23069.4 1751.99 10 -9 2 7 23066.5 1767.33 10 -9 2 6 9242.72 1168.66 10 9 2 -6 11386.8 1472.92 3 -9 2 5 27388.7 1929.64 10 9 2 -5 27944.9 1847.83 1 9 2 -5 27931.5 2170.77 3 9 2 -4 5638.35 1082.24 3 9 2 -4 5349.16 893.767 1 -9 2 3 22844.7 1798.45 10 9 2 -3 20803.9 1553.65 1 9 2 -2 7485.47 968.790 1 9 2 -2 6681.20 1150.11 3 9 2 -1 15632.3 1654.44 3 9 2 0 3927.90 937.539 3 -9 3 10 975.079 448.325 10 -9 3 10-192.839 385.439 8 -9 3 10-174.171 468.446 4 -9 3 9 7795.51 1077.01 10 -9 3 9 8510.15 1092.32 8 -9 3 8 199.468 358.908 8 -9 3 7 6594.34 1033.43 10 -9 3 7 6408.37 984.837 4 -9 3 6 870.041 465.470 10 -9 3 6 663.768 404.348 8 9 3 -6 197.246 574.384 3 -9 3 5 3989.00 832.688 10 -9 3 4 649.126 488.205 10 9 3 -4 1654.79 702.156 3 -9 3 3 4853.52 890.646 10 9 3 -3 4487.87 839.574 1 9 3 -3 3613.09 902.180 3 9 3 -2 630.087 497.029 1 -9 3 2 942.856 490.831 10 9 3 -2 733.392 595.794 3 -9 3 1 2084.95 686.183 10 9 3 -1 355.948 543.522 3 9 3 0 1247.35 702.409 3 -9 4 10 4714.12 865.624 10 -9 4 10 4516.60 846.503 8 -9 4 10 3528.39 746.860 4 -9 4 9 17563.9 1562.51 4 -9 4 8 12997.5 1270.83 8 -9 4 7 6570.33 989.501 10 9 4 -7 7225.98 1080.27 1 -9 4 6 5322.22 931.232 10 9 4 -6 6143.11 1022.68 1 -9 4 5 18899.4 1634.85 10 9 4 -5 16677.0 1536.05 1 -9 4 4 10371.9 1252.18 10 9 4 -4 7770.24 1094.03 1 9 4 -4 10469.7 1399.61 3 9 4 -3 18282.6 1815.87 3 -9 4 2 11850.2 1319.71 10 9 4 -1 13287.7 1276.78 11 -9 5 9 1347.31 532.681 8 -9 5 8 3893.03 821.852 10 -9 5 6 9470.15 1189.03 10 9 5 -6 11936.3 1380.15 1 -9 5 5 1268.36 524.808 10 9 5 -3 1943.82 719.371 1 9 5 -3 2963.22 755.645 11 9 5 -1 1198.42 559.092 11 9 5 -1-217.619 406.056 1 9 6 -5-334.169 547.547 1 9 6 -4 22773.4 1843.63 1 9 6 -4 25358.9 1876.33 11 9 6 -3 1948.53 722.464 1 9 6 -1 1478.59 566.997 11 9 6 -1-102.368 491.076 1 9 6 0 30559.0 2043.20 1 9 7 -2 3217.84 888.474 1 9 7 -1 1056.36 605.333 1 0 0 0 0.00 0.00 0 TITL rwJ13 in P2(1) REM P2(1) (#4 in standard setting) CELL 0.71073 6.798081 12.049659 13.532878 90.0000 100.3338 90.0000 ZERR 3.00 0.000154 0.000324 0.000318 0.0000 0.0023 0.0000 LATT -1 SYMM -x, y+1/2,-z SFAC C H N O Ce UNIT 24.00 18.00 3.00 28.50 3.00 TREF HKLF 4 END ; _shelx_hkl_checksum 61409 _shelx_shelxl_version_number 2014/7 _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 1.072 _oxdiff_exptl_absorpt_empirical_full_min 0.938 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ce1 Ce -0.05047(4) 1.16678(3) 0.74538(2) 0.00923(8) Uani 1 1 d . . . . . O1A O 0.1698(6) 1.3304(4) 0.7717(3) 0.0150(7) Uani 1 1 d . . . . . O8A O 0.2880(5) 1.4108(3) 1.2392(3) 0.0144(8) Uani 1 1 d . . . . . O9B O 0.9192(6) 1.2416(3) 0.9117(3) 0.0133(7) Uani 1 1 d . . . . . O8B O 0.6218(6) 1.4035(4) 1.2787(3) 0.0180(8) Uani 1 1 d . . . . . O2 O -0.2694(6) 1.3476(4) 0.7172(3) 0.0182(8) Uani 1 1 d D . . . . H2A H -0.239(11) 1.410(3) 0.738(5) 0.027 Uiso 1 1 d DR . . . . H2B H -0.364(8) 1.350(6) 0.670(4) 0.027 Uiso 1 1 d DR . . . . O9A O 1.0002(6) 1.2582(3) 1.0783(3) 0.0136(8) Uani 1 1 d . . . . . O1B O 0.0753(6) 1.4825(3) 0.8457(3) 0.0140(8) Uani 1 1 d . . . . . N5 N 0.6499(6) 1.3397(4) 1.0952(3) 0.0114(8) Uani 1 1 d . . . . . O1 O 0.0237(9) 1.0122(4) 0.8810(4) 0.0310(12) Uani 1 1 d D . . . . H1A H 0.074(13) 1.028(6) 0.938(3) 0.046 Uiso 1 1 d DR . . . . H1B H 0.007(14) 0.947(3) 0.866(6) 0.046 Uiso 1 1 d DR . . . . C6 C 0.4736(8) 1.3807(4) 1.1087(4) 0.0112(9) Uani 1 1 d . . . . . C8 C 0.4595(8) 1.3999(5) 1.2172(4) 0.0118(9) Uani 1 1 d . . . . . C4 C 0.6748(7) 1.3122(4) 1.0022(4) 0.0111(10) Uani 1 1 d . . . . . C3 C 0.5242(7) 1.3255(5) 0.9192(4) 0.0115(9) Uani 1 1 d . . . . . H3 H 0.5421 1.3014 0.8545 0.014 Uiso 1 1 calc R . . . . C7 C 0.3192(8) 1.4050(5) 1.0297(4) 0.0117(9) Uani 1 1 d . . . . . H7 H 0.2003 1.4404 1.0409 0.014 Uiso 1 1 calc R . . . . C1 C 0.1840(7) 1.3983(4) 0.8436(4) 0.0089(9) Uani 1 1 d . . . . . C9 C 0.8807(8) 1.2669(4) 0.9963(4) 0.0110(9) Uani 1 1 d . . . . . C2 C 0.3455(8) 1.3753(4) 0.9332(4) 0.0107(9) Uani 1 1 d . . . . . O4 O -0.333(2) 1.5935(11) 0.4245(12) 0.046(4) Uani 0.5 1 d . . P A 2 O3 O -0.353(2) 1.4458(13) 0.4859(10) 0.056(4) Uani 0.5 1 d . . P B 1 O5 O -0.3775(18) 1.6425(12) 0.4092(10) 0.037(3) Uani 0.5 1 d . . P C 1 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ce1 0.00557(12) 0.01588(14) 0.00639(12) -0.00123(11) 0.00144(8) -0.00179(11) O1A 0.0118(17) 0.0223(19) 0.0107(17) -0.0041(16) 0.0015(13) -0.0050(16) O8A 0.0057(16) 0.023(2) 0.0148(18) 0.0012(16) 0.0040(14) 0.0017(15) O9B 0.0092(17) 0.022(2) 0.0096(17) -0.0028(15) 0.0036(14) -0.0009(15) O8B 0.0090(17) 0.033(2) 0.0117(18) -0.0031(17) 0.0021(14) 0.0054(16) O2 0.018(2) 0.018(2) 0.017(2) -0.0042(16) -0.0020(16) -0.0029(16) O9A 0.0092(17) 0.023(2) 0.0088(17) -0.0010(15) 0.0007(14) 0.0053(15) O1B 0.0107(17) 0.0158(19) 0.0149(18) 0.0031(15) 0.0005(14) 0.0022(14) N5 0.0082(18) 0.018(2) 0.0083(19) 0.0034(18) 0.0020(15) 0.0027(17) O1 0.052(3) 0.021(2) 0.025(2) 0.009(2) 0.022(2) 0.013(2) C6 0.008(2) 0.014(2) 0.011(2) -0.0005(19) 0.0010(18) 0.0013(18) C8 0.010(2) 0.014(2) 0.012(2) 0.0009(19) 0.0042(19) 0.0015(18) C4 0.005(2) 0.018(3) 0.009(2) 0.0006(19) 0.0009(17) 0.0027(18) C3 0.010(2) 0.017(2) 0.008(2) 0.002(2) 0.0014(17) 0.003(2) C7 0.008(2) 0.018(2) 0.009(2) 0.0006(19) 0.0002(18) 0.0004(19) C1 0.006(2) 0.013(2) 0.007(2) 0.0035(18) 0.0002(17) -0.0012(17) C9 0.008(2) 0.015(2) 0.010(2) 0.0020(19) 0.0036(18) 0.0007(18) C2 0.008(2) 0.015(2) 0.008(2) 0.0019(19) -0.0010(17) 0.0000(18) O4 0.064(10) 0.032(7) 0.046(8) 0.006(6) 0.021(7) 0.031(7) O3 0.046(7) 0.086(10) 0.041(7) -0.035(7) 0.018(6) -0.035(7) O5 0.021(6) 0.054(9) 0.032(6) -0.001(6) -0.002(5) -0.016(6) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -1 15 -8 0.0442 0 -13 12 0.0504 -1 11 15 0.0343 10 1 -2 0.0427 -10 0 2 0.0711 0 -14 -10 0.0397 7 4 -15 0.0578 5 14 -6 0.0507 0 14 10 0.0346 -8 0 14 0.0604 2 -2 -19 0.0644 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 O1A Ce1 O8A 76.40(14) . 4_585 ? O1A Ce1 O9B 73.95(13) . 1_455 ? O1A Ce1 O8B 141.62(14) . 4_485 ? O1A Ce1 O2 70.79(13) . . ? O1A Ce1 O9A 70.41(13) . 4_485 ? O1A Ce1 O1B 139.35(13) . 2_546 ? O1A Ce1 N5 120.42(14) . 4_485 ? O1A Ce1 O1 115.81(17) . . ? O8A Ce1 O2 143.73(14) 4_585 . ? O8A Ce1 O9A 80.15(13) 4_585 4_485 ? O8A Ce1 O1B 68.71(13) 4_585 2_546 ? O8A Ce1 N5 123.92(13) 4_585 4_485 ? O8A Ce1 O1 72.09(15) 4_585 . ? O9B Ce1 O8A 113.28(13) 1_455 4_585 ? O9B Ce1 O8B 74.71(13) 1_455 4_485 ? O9B Ce1 O2 72.05(13) 1_455 . ? O9B Ce1 O9A 137.41(13) 1_455 4_485 ? O9B Ce1 O1B 139.09(13) 1_455 2_546 ? O9B Ce1 N5 122.71(13) 1_455 4_485 ? O9B Ce1 O1 69.82(15) 1_455 . ? O8B Ce1 O8A 137.33(14) 4_485 4_585 ? O8B Ce1 O2 78.89(14) 4_485 . ? O8B Ce1 O9A 123.65(13) 4_485 4_485 ? O8B Ce1 O1B 78.84(14) 4_485 2_546 ? O8B Ce1 N5 62.18(13) 4_485 4_485 ? O8B Ce1 O1 72.31(17) 4_485 . ? O9A Ce1 O2 74.74(14) 4_485 . ? O9A Ce1 O1B 83.41(13) 4_485 2_546 ? O9A Ce1 N5 61.57(13) 4_485 4_485 ? O9A Ce1 O1 148.36(15) 4_485 . ? O1B Ce1 O2 132.08(13) 2_546 . ? O1B Ce1 N5 67.64(14) 2_546 4_485 ? O1B Ce1 O1 72.71(15) 2_546 . ? N5 Ce1 O2 64.44(14) 4_485 . ? O1 Ce1 O2 136.87(15) . . ? O1 Ce1 N5 123.66(18) . 4_485 ? C1 O1A Ce1 126.3(3) . . ? C8 O8A Ce1 149.9(4) . 4_586 ? C9 O9B Ce1 170.0(4) . 1_655 ? C8 O8B Ce1 125.0(3) . 4_686 ? Ce1 O2 H2A 128(5) . . ? Ce1 O2 H2B 119(5) . . ? H2A O2 H2B 110(5) . . ? C9 O9A Ce1 126.4(3) . 4_686 ? C1 O1B Ce1 133.2(3) . 2_556 ? C6 N5 Ce1 119.9(3) . 4_686 ? C6 N5 C4 119.0(4) . . ? C4 N5 Ce1 120.8(3) . 4_686 ? Ce1 O1 H1A 120(6) . . ? Ce1 O1 H1B 121(6) . . ? H1A O1 H1B 118(6) . . ? N5 C6 C8 113.8(4) . . ? N5 C6 C7 123.0(5) . . ? C7 C6 C8 123.1(5) . . ? O8A C8 C6 118.0(5) . . ? O8B C8 O8A 125.4(5) . . ? O8B C8 C6 116.6(5) . . ? N5 C4 C3 122.2(5) . . ? N5 C4 C9 114.3(4) . . ? C3 C4 C9 123.5(5) . . ? C4 C3 H3 120.9 . . ? C4 C3 C2 118.2(5) . . ? C2 C3 H3 120.9 . . ? C6 C7 H7 121.3 . . ? C6 C7 C2 117.4(5) . . ? C2 C7 H7 121.3 . . ? O1A C1 C2 116.4(5) . . ? O1B C1 O1A 125.2(5) . . ? O1B C1 C2 118.4(5) . . ? O9B C9 O9A 125.3(5) . . ? O9B C9 C4 118.7(5) . . ? O9A C9 C4 116.0(5) . . ? C3 C2 C1 119.7(5) . . ? C7 C2 C3 119.8(5) . . ? C7 C2 C1 120.5(5) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ce1 O1A 2.463(4) . ? Ce1 O8A 2.499(4) 4_585 ? Ce1 O9B 2.467(4) 1_455 ? Ce1 O8B 2.499(4) 4_485 ? Ce1 O2 2.627(4) . ? Ce1 O9A 2.515(4) 4_485 ? Ce1 O1B 2.531(4) 2_546 ? Ce1 N5 2.607(4) 4_485 ? Ce1 O1 2.600(5) . ? O1A C1 1.261(6) . ? O8A Ce1 2.499(4) 4_586 ? O8A C8 1.261(6) . ? O9B Ce1 2.467(4) 1_655 ? O9B C9 1.257(6) . ? O8B Ce1 2.499(4) 4_686 ? O8B C8 1.258(7) . ? O2 H2A 0.82(2) . ? O2 H2B 0.82(2) . ? O9A Ce1 2.515(4) 4_686 ? O9A C9 1.257(6) . ? O1B Ce1 2.531(4) 2_556 ? O1B C1 1.258(6) . ? N5 Ce1 2.607(4) 4_686 ? N5 C6 1.339(6) . ? N5 C4 1.341(6) . ? O1 H1A 0.81(2) . ? O1 H1B 0.81(2) . ? C6 C8 1.507(7) . ? C6 C7 1.388(7) . ? C4 C3 1.387(7) . ? C4 C9 1.518(7) . ? C3 H3 0.9500 . ? C3 C2 1.398(7) . ? C7 H7 0.9500 . ? C7 C2 1.396(7) . ? C1 C2 1.508(7) . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O2 H2A O8A 0.82(2) 2.21(4) 2.978(6) 156(6) 3_587 O2 H2A O1B 0.82(2) 2.52(5) 3.114(6) 131(6) . O2 H2B O4 0.82(2) 2.32(4) 3.105(16) 159(7) 3_486 O2 H2B O5 0.82(2) 1.89(3) 2.689(13) 164(8) 3_486 O1 H1A O4 0.81(2) 2.45(4) 3.211(16) 158(9) 2_546 O1 H1A O3 0.81(2) 2.22(8) 2.727(13) 122(8) 2_546 O1 H1B O2 0.81(2) 2.58(9) 3.047(7) 119(8) 2_546 O1 H1B O9A 0.81(2) 2.59(5) 3.314(6) 150(7) 3_677 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 -1.0005 15.0006 -7.9982 -0.5250 -0.6591 0.5291 0.0015 -12.9998 11.9975 0.6500 0.6880 -0.3149 -0.9990 11.0034 14.9973 0.1912 0.2635 0.9658 9.9909 0.9993 -2.0001 -0.7655 0.7126 -0.0483 -9.9909 0.0008 2.0001 0.7402 -0.7316 0.0980 0.0004 -14.0029 -9.9983 0.0871 -0.1031 -0.9726 6.9927 3.9980 -14.9974 -0.9830 -0.0644 -0.2455 4.9943 14.0005 -5.9988 -0.8583 -0.0834 0.5090 -0.0004 14.0029 9.9983 -0.0871 0.1031 0.9726 -7.9921 0.0023 13.9977 0.9237 -0.1287 0.4211 1.9973 -2.0030 -18.9965 -0.5947 -0.5007 -0.6331