#------------------------------------------------------------------------------ #$Date: 2022-12-14 01:15:54 +0200 (Wed, 14 Dec 2022) $ #$Revision: 279877 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/81/1568116.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_1568116 loop_ _publ_author_name 'Cohen, Seth M.' 'Karges, Johannes' 'Giardini , Miriam' 'Blacque, Olivier' 'Woodworth, Brendon' 'Siqueira-Neto , Jair' _publ_section_title ; Enantioselective Inhibition of the SARS-CoV-2 Main Protease with Rhenium(I) Picolinic Acid Complexes ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D2SC05473F _journal_year 2022 _chemical_formula_moiety 'C10 H8 N O6 Re, H2 O' _chemical_formula_sum 'C10 H10 N O7 Re' _chemical_formula_weight 442.39 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-I 2ya' _space_group_name_H-M_alt 'I 1 2/a 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2021-03-15 _audit_creation_method ; Olex2 1.3 (compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272) ; _audit_update_record ; 2022-09-06 deposited with the CCDC. 2022-12-13 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 97.9890(10) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.18810(10) _cell_length_b 11.06790(10) _cell_length_c 25.0097(3) _cell_measurement_reflns_used 12874 _cell_measurement_temperature 160(1) _cell_measurement_theta_max 79.1620 _cell_measurement_theta_min 3.5700 _cell_volume 2518.63(5) _computing_cell_refinement 'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL (Sheldrick, 2015b)' _computing_structure_solution 'SHELXT (Sheldrick, 2015a)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 160(1) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 5.8140 _diffrn_detector_type 'Pilatus 200K' _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.998 _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 102.00 178.00 0.50 0.20 -- 110.00 111.00 90.00 152 2 \w 96.00 178.00 0.50 0.20 -- 110.00 30.00 -30.00 164 3 \w 96.00 178.00 0.50 0.20 -- 110.00 30.00 -60.00 164 4 \w 106.00 178.00 0.50 0.20 -- 110.00 98.00-128.00 144 5 \w 34.00 123.00 0.50 0.10 -- 49.87 57.00 -60.00 178 6 \w -81.00 -11.00 0.50 0.20 -- -88.50 98.00-128.00 140 7 \w -125.00 -73.00 0.50 0.10 -- -49.87-125.00 -90.00 104 8 \w -165.00 -85.00 0.50 0.20 -- -88.50 -98.00 124.00 160 9 \w -125.00 -73.00 0.50 0.10 -- -49.87-125.00-150.00 104 10 \w -80.00 28.00 0.50 0.10 -- -49.87 98.00-128.00 216 11 \w 36.00 134.00 0.50 0.20 -- 110.00 -77.00 -60.00 196 12 \w 34.00 124.00 0.50 0.20 -- 110.00 -45.00 -30.00 180 13 \w 34.00 108.00 0.50 0.20 -- 110.00-111.00 -60.00 148 14 \w 34.00 107.00 0.50 0.20 -- 110.00 -94.00 -60.00 146 15 \w 34.00 108.00 0.50 0.20 -- 110.00-111.00-150.00 148 16 \w 34.00 107.00 0.50 0.20 -- 110.00 -94.00-180.00 146 17 \w 34.00 107.00 0.50 0.20 -- 110.00 -94.00-120.00 146 18 \w -6.00 84.00 0.50 0.10 -- 49.87 -98.00 124.00 180 19 \w 34.00 107.00 0.50 0.20 -- 110.00 -98.00 124.00 146 20 \w 38.00 127.00 0.50 0.20 -- 110.00 -61.00 60.00 178 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Dualflex, Pilatus 200K' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0336750000 _diffrn_orient_matrix_UB_12 0.1310141000 _diffrn_orient_matrix_UB_13 -0.0185632000 _diffrn_orient_matrix_UB_21 -0.1460051000 _diffrn_orient_matrix_UB_22 -0.0049186000 _diffrn_orient_matrix_UB_23 0.0236743000 _diffrn_orient_matrix_UB_31 0.0788937000 _diffrn_orient_matrix_UB_32 0.0467339000 _diffrn_orient_matrix_UB_33 0.0544338000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0274 _diffrn_reflns_av_unetI/netI 0.0172 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 13080 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 74.493 _diffrn_reflns_theta_min 3.569 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 19.187 _exptl_absorpt_correction_T_max 0.308 _exptl_absorpt_correction_T_min 0.038 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019) 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 colourless _exptl_crystal_density_diffrn 2.333 _exptl_crystal_description prism _exptl_crystal_F_000 1664 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.10 _refine_diff_density_max 1.452 _refine_diff_density_min -1.101 _refine_diff_density_rms 0.152 _refine_ls_extinction_coef 0.000159(11) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.203 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 189 _refine_ls_number_reflns 2565 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.202 _refine_ls_R_factor_all 0.0228 _refine_ls_R_factor_gt 0.0222 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0268P)^2^+10.9719P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0574 _refine_ls_wR_factor_ref 0.0575 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2557 _reflns_number_total 2565 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d2sc05473f2.cif _cod_data_source_block 35 _cod_database_code 1568116 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.250 _shelx_estimated_absorpt_t_min 0.086 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups, All C(H,H,H,H) groups, All O(H) groups 2. Restrained distances O7-H7B \\sim O7-H7C with sigma of 0.005 3. Others Fixed Sof: H7B(0.5) H7C(0.5) 4.a Aromatic/amide H refined with riding coordinates: C5(H5), C6(H6), C7(H7) 4.b Idealised Me refined as rotating group: C10(H10A,H10B,H10C) ; _shelx_res_file ; TITL joha1503_a.res in I2/a joha1503.res created by SHELXL-2018/3 at 14:24:42 on 15-Mar-2021 CELL 1.54184 9.1881 11.0679 25.0097 90 97.989 90 ZERR 8 0.0001 0.0001 0.0003 0 0.001 0 LATT 2 SYMM 0.5-X,+Y,-Z SFAC C H N O Re UNIT 80 80 8 56 8 EQIV $1 0.5-X,+Y,1-Z EQIV $2 +X,-1+Y,+Z EQIV $3 0.5+X,2-Y,+Z SADI 0.005 O7 H7b O7 H7c L.S. 10 PLAN 20 SIZE 0.1 0.11 0.25 TEMP -113.1(10) CONF HTAB O7 O6 HTAB O7 O7_$1 HTAB C6 O1_$2 HTAB O4 O5_$1 HTAB O4 O7_$3 list 4 MORE -1 BOND $H fmap 2 53 acta OMIT -4 6 26 OMIT -3 7 26 REM REM REM WGHT 0.026800 10.971900 EXTI 0.000159 FVAR 1.18840 RE1 5 0.386569 0.818799 0.635146 11.00000 0.02685 0.01730 = 0.01759 -0.00040 -0.00291 0.00171 O1 4 0.389150 1.094654 0.629267 11.00000 0.06768 0.01583 = 0.05399 -0.00010 -0.01704 0.00305 O2 4 0.637740 0.854726 0.727649 11.00000 0.05392 0.04043 = 0.04198 -0.00832 -0.02736 0.00437 O3 4 0.171926 0.846830 0.716794 11.00000 0.05667 0.05689 = 0.04007 -0.00004 0.01918 0.01693 O4 4 0.525654 0.791633 0.572036 11.00000 0.03222 0.02338 = 0.02271 -0.00061 0.00214 -0.00480 O5 4 0.079349 0.664112 0.515268 11.00000 0.02709 0.02561 = 0.02348 0.00210 -0.00292 -0.00395 O6 4 0.215001 0.793846 0.568765 11.00000 0.02875 0.01856 = 0.02360 0.00234 -0.00563 0.00040 N1 3 0.365215 0.618731 0.624951 11.00000 0.02392 0.01759 = 0.01756 0.00400 0.00201 0.00067 C1 1 0.389054 0.991795 0.631060 11.00000 0.04143 0.03055 = 0.02704 -0.00386 -0.00866 0.00107 C2 1 0.545721 0.838544 0.692687 11.00000 0.04502 0.01976 = 0.03020 -0.00088 -0.00229 0.00264 H4A 2 0.496871 0.757344 0.544535 11.00000 -1.50000 H4B 2 0.563026 0.851809 0.559096 11.00000 -1.50000 H7A 2 0.152791 0.939747 0.540809 11.00000 -1.50000 PART 1 H7B 2 0.218744 1.027540 0.515289 10.50000 -1.50000 PART 0 C3 1 0.254314 0.835139 0.686550 11.00000 0.04323 0.02630 = 0.02396 -0.00004 -0.00122 0.00704 C4 1 0.444215 0.529709 0.652525 11.00000 0.02195 0.02261 = 0.02110 0.00542 0.00166 0.00193 C5 1 0.418678 0.408631 0.638331 11.00000 0.03098 0.02045 = 0.02929 0.00908 0.00450 0.00752 AFIX 43 H5 2 0.476280 0.347384 0.657674 11.00000 -1.20000 AFIX 0 C6 1 0.311229 0.376850 0.596712 11.00000 0.03286 0.01401 = 0.04360 0.00153 0.00507 0.00047 AFIX 43 H6 2 0.294176 0.294500 0.587109 11.00000 -1.20000 AFIX 0 C7 1 0.228236 0.468210 0.569061 11.00000 0.02901 0.02188 = 0.02502 0.00195 0.00157 -0.00327 AFIX 43 H7 2 0.152328 0.449729 0.540419 11.00000 -1.20000 AFIX 0 C8 1 0.258793 0.585762 0.584206 11.00000 0.02396 0.02033 = 0.01983 0.00358 0.00270 -0.00145 C9 1 0.176098 0.687218 0.553257 11.00000 0.02312 0.02230 = 0.01779 -0.00012 0.00136 -0.00057 C10 1 0.562534 0.562122 0.697653 11.00000 0.03034 0.02783 = 0.02673 0.00445 -0.00371 0.00339 AFIX 137 H10A 2 0.636392 0.612534 0.683656 11.00000 -1.50000 H10B 2 0.609105 0.488207 0.713387 11.00000 -1.50000 H10C 2 0.519524 0.606831 0.725442 11.00000 -1.50000 AFIX 0 O7 4 0.133581 1.012725 0.529436 11.00000 0.03651 0.02306 = 0.03153 0.00398 0.00058 0.00544 PART 2 H7C 2 0.060926 0.993404 0.501799 10.50000 -1.50000 HKLF 4 REM joha1503_a.res in I2/a REM wR2 = 0.0575, GooF = S = 1.203, Restrained GooF = 1.202 for all data REM R1 = 0.0222 for 2557 Fo > 4sig(Fo) and 0.0228 for all 2565 data REM 189 parameters refined using 1 restraints END WGHT 0.0268 10.9576 REM Highest difference peak 1.452, deepest hole -1.101, 1-sigma level 0.152 Q1 1 0.3937 0.9174 0.6381 11.00000 0.05 1.45 Q2 1 0.3968 0.7212 0.6390 11.00000 0.05 1.27 Q3 1 0.2783 0.8178 0.6382 11.00000 0.05 0.82 Q4 1 0.5125 0.8170 0.6374 11.00000 0.05 0.68 Q5 1 0.2707 0.6771 0.6392 11.00000 0.05 0.55 Q6 1 0.4351 0.3194 0.6796 11.00000 0.05 0.53 Q7 1 0.3846 1.1610 0.6351 11.00000 0.05 0.49 Q8 1 0.4079 0.4713 0.6404 11.00000 0.05 0.49 Q9 1 0.2774 0.9526 0.6366 11.00000 0.05 0.44 Q10 1 0.4233 0.6356 0.6222 11.00000 0.05 0.43 Q11 1 0.3460 0.9990 0.6415 11.00000 0.05 0.41 Q12 1 0.5666 0.2067 0.6361 11.00000 0.05 0.40 Q13 1 0.2714 0.8045 0.5794 11.00000 0.05 0.38 Q14 1 0.3047 0.6053 0.6243 11.00000 0.05 0.38 Q15 1 0.1952 1.1239 0.6242 11.00000 0.05 0.38 Q16 1 0.2348 0.5273 0.5783 11.00000 0.05 0.37 Q17 1 0.3831 0.3384 0.6339 11.00000 0.05 0.37 Q18 1 0.4985 0.4569 0.6392 11.00000 0.05 0.36 Q19 1 0.4039 0.4137 0.6257 11.00000 0.05 0.36 Q20 1 0.2823 0.4241 0.5809 11.00000 0.05 0.36 ; _shelx_res_checksum 17987 _shelx_hkl_file ; 0 0 2 370.570 71.1959 10 0 0 4 419413. 6538.25 10 0 0 6 24786.5 773.863 10 0 0 8 187936. 3326.69 18 0 0 8 180930. 3312.98 10 0 0 10 110427. 2250.67 18 0 0 12 203843. 3373.73 6 0 0 12 208454. 3744.53 18 0 0 14 284249. 4934.63 18 0 0 16 85420.9 1997.19 18 0 0 16 82037.9 1674.42 19 0 0 16 83793.1 1675.78 4 0 0 18 167836. 2886.86 16 0 0 18 166857. 2972.80 20 0 0 18 178234. 3051.67 19 0 0 18 176686. 3479.39 18 0 0 18 185845. 3063.20 4 0 0 20 33531.3 841.216 16 0 0 20 32702.6 903.955 20 0 0 20 36804.9 963.758 19 0 0 20 36313.6 1243.06 18 0 0 20 36479.8 943.867 4 0 0 22 91658.0 1739.45 16 0 0 22 94437.8 1849.52 4 0 0 22 92822.6 2242.77 18 0 0 22 96034.3 1876.84 19 0 0 22 89837.1 1820.70 20 0 0 24 1123.37 139.699 4 0 0 24 1054.18 193.335 18 0 0 24 949.669 131.507 19 0 0 24 615.148 106.107 20 0 0 26 57954.2 1205.03 4 0 0 26 55851.6 1180.02 20 0 0 28 761.566 97.3662 19 0 0 28 1530.61 119.391 20 0 0 30 39484.9 529.992 19 0 0 30-5.71986 12.9339 20 0 -1 1 11867.1 283.237 18 0 1 1 15077.0 302.467 18 0 -1 1 12863.9 348.064 5 0 -1 -1 13255.4 265.100 5 0 1 1 14858.2 304.433 10 0 1 1 14736.2 290.712 9 0 1 1 12383.0 304.736 7 0 -1 3 33731.0 827.529 18 0 1 3 39657.1 857.055 18 0 1 3 36288.5 648.815 9 0 -1 3 34018.4 828.320 10 0 1 3 38090.3 842.655 10 0 1 3 39528.1 739.358 7 0 1 5 1437.48 151.171 18 0 -1 5 152.419 45.6191 5 0 1 5 1169.20 137.975 10 0 1 5 201.184 46.5560 7 0 1 7 46272.6 1170.92 10 0 1 7 52831.5 1205.23 18 0 1 9 10835.2 503.744 10 0 1 9 11747.3 518.621 18 0 1 11 95690.1 1763.08 6 0 -1 11 94720.6 1777.43 6 0 1 13 2803.11 272.729 18 0 1 15 25659.2 929.748 18 0 1 17 563.540 136.409 18 0 -1 17 789.097 118.313 4 0 1 17 689.122 110.444 4 0 1 17 697.518 110.516 19 0 1 17 442.640 84.8076 20 0 -1 17 495.899 91.1419 20 0 -1 17 478.424 94.1632 19 0 1 17 485.541 89.7285 13 0 -1 17 791.561 100.362 15 0 -1 19 32585.0 842.018 16 0 1 19 34648.7 910.355 4 0 1 19 36458.4 1197.58 18 0 -1 19 34261.0 902.115 20 0 1 19 33701.5 881.762 20 0 -1 19 32781.1 913.759 19 0 1 19 35649.5 932.308 19 0 1 19 34862.3 874.788 13 0 -1 19 32682.4 827.346 15 0 -1 21 2094.24 183.217 16 0 1 21 2174.98 198.240 4 0 1 21 2111.11 197.258 19 0 -1 21 1695.90 251.580 18 0 1 21 2450.22 295.150 18 0 1 21 2136.91 193.282 20 0 -1 21 1973.31 192.565 20 0 -1 21 2103.37 180.207 15 0 -1 23 13276.9 481.379 16 0 1 23 13443.7 515.276 4 0 1 23 13306.4 501.069 20 0 1 23 13921.8 528.861 19 0 -1 23 14025.8 526.738 20 0 1 23 13697.0 707.036 18 0 -1 23 14676.4 746.127 18 0 -1 23 13024.5 468.626 15 0 -1 25 9467.78 367.282 16 0 1 25 9132.86 377.529 20 0 -1 25 8765.91 385.362 20 0 1 25 9607.09 407.341 19 0 1 25 9014.11 386.098 4 0 1 27 1736.61 152.689 19 0 -1 27 1814.01 147.821 20 0 1 27 1849.63 140.088 20 0 1 29 9097.89 307.547 19 0 -1 29 8565.95 278.213 20 0 -2 0 99428.7 1725.99 5 0 2 0 102409. 1674.75 7 0 -2 2 1645.61 88.8721 18 0 2 2 1849.31 92.4255 18 0 -2 -2 1679.51 99.6455 5 0 2 2 1697.99 90.7585 10 0 2 2 1673.87 106.017 9 0 2 4 76276.2 1322.36 18 0 -2 4 72338.4 1334.69 18 0 -2 -4 64871.8 1066.61 5 0 2 4 65771.4 1181.22 9 0 2 4 77607.2 1336.18 10 0 2 4 68211.2 1317.57 7 0 2 6 778.282 107.367 18 0 -2 6 769.260 113.830 18 0 -2 -6 906.334 45.9840 5 0 2 6 521.127 93.2004 10 0 -2 6 620.185 103.025 10 0 -2 6 613.371 99.2963 5 0 2 8 30863.6 824.535 7 0 2 8 30941.1 843.864 18 0 -2 8 30375.2 859.312 18 0 -2 8 28522.0 841.120 10 0 -2 10 26484.9 844.735 18 0 2 10 28449.5 828.561 18 0 2 12 24695.2 844.231 18 0 -2 12 25293.4 856.188 18 0 2 14 63500.6 1585.24 18 0 -2 14 65330.2 1608.10 18 0 -2 16 37640.6 930.243 4 0 2 16 36545.9 895.466 4 0 2 16 37399.5 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326.650 107.193 18 0 2 24 280.651 70.0504 4 0 -2 24 335.086 77.1707 4 0 2 24 276.579 67.6813 20 0 -2 24 400.053 86.5094 19 0 2 24 394.851 85.4681 19 0 -2 24 296.191 73.5423 20 0 -2 24 250.765 64.7412 16 0 -2 24 463.104 81.7232 15 0 -2 26 26374.1 658.742 16 0 2 26 24811.4 626.585 20 0 -2 26 25585.0 698.495 19 0 2 26 25295.3 685.898 19 0 -2 26 25608.3 681.405 20 0 2 28 1530.85 126.384 19 0 -2 28 1476.34 125.262 19 0 -2 28 1292.71 115.134 20 0 2 30 11125.1 299.867 19 0 -2 30 10825.7 299.017 19 0 -2 30 10357.1 280.026 20 0 -3 -1 99609.6 1736.88 5 0 -3 1 106095. 1827.44 5 0 3 1 100464. 1705.54 9 0 3 1 94547.6 1727.49 7 0 3 -1 90782.2 1670.57 7 0 3 3 343351. 4939.96 18 0 -3 -3 342449. 5069.00 5 0 3 3 341059. 5109.03 9 0 3 5 28366.8 641.865 18 0 -3 5 26227.8 644.771 18 0 -3 -5 25642.6 530.823 5 0 -3 5 29576.4 808.207 5 0 3 5 27815.9 653.830 9 0 -3 7 46150.9 1074.03 18 0 3 7 48498.8 1055.63 18 0 -3 7 50093.1 1167.94 5 0 3 7 44302.6 1125.06 7 0 -3 9 2426.27 220.021 18 0 3 9 2420.71 205.106 18 0 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32980.5 1110.33 9 0 10 4 32074.0 800.558 11 0 -10 4 33595.5 810.923 2 0 -10 4 32242.6 773.908 3 0 -10 6 77.7968 44.2427 2 0 10 6 80.4375 41.7626 11 0 10 -6 135.099 71.5369 9 0 10 -8 12728.2 647.347 9 0 10 8 11867.1 415.920 14 0 10 8 12403.0 467.932 12 0 10 8 12762.2 458.164 11 0 -10 8 12277.9 432.941 3 0 10 -10 10080.1 579.264 9 0 -10 10 10321.0 380.922 3 0 10 10 10538.1 407.808 11 0 10 10 10100.0 404.015 12 0 -10 10 10332.1 382.320 2 0 10 10 10116.5 369.338 1 0 10 10 9891.59 377.633 14 0 -10 12 6534.51 279.960 3 0 10 12 6319.89 286.365 14 0 10 12 6736.35 305.833 12 0 -10 12 6318.56 277.949 2 0 10 12 6258.77 272.535 1 0 10 14 8839.47 356.888 11 0 10 14 9057.06 341.116 12 0 -10 14 8541.78 314.739 2 0 10 16 4339.60 201.833 12 0 -10 16 4242.77 194.714 2 0 10 18 8887.22 301.787 11 0 -10 18 8472.65 257.775 2 0 -10 20 2226.98 116.769 15 0 10 20 2172.48 121.778 11 0 -10 20 2343.77 119.167 16 0 -11 1 35508.9 805.954 2 0 -11 -1 35915.6 784.089 2 0 -11 3 60511.7 1197.32 2 0 -11 5 16414.9 489.859 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2 4 16 8820.80 525.790 18 2 -4 16 8510.90 413.128 20 2 -4 16 8456.54 399.487 19 2 4 16 8452.75 377.385 19 2 -4 16 8217.89 544.894 18 2 -4 16 8832.41 420.277 15 2 4 16 8945.93 393.978 15 2 4 16 9464.43 401.956 14 2 4 16 8819.98 414.577 13 2 4 16 8401.73 363.908 11 2 4 16 8257.60 393.996 1 2 4 18 678.290 105.969 15 2 4 18 686.306 111.436 13 2 4 18 447.031 88.6730 14 2 -4 18 463.755 98.1456 15 2 -4 18 556.222 105.915 20 2 -4 18 482.348 96.5918 19 2 4 18 587.213 98.1739 19 2 4 18 529.584 90.0832 11 2 -4 18 239.820 98.4477 18 2 4 18 448.620 122.501 18 2 4 18 417.349 84.6485 17 2 -4 18 685.161 122.326 16 2 4 20 5036.74 296.724 13 2 4 20 5291.37 292.386 14 2 4 20 5019.51 287.636 15 2 -4 20 4872.66 306.609 15 2 -4 20 4515.62 405.376 18 2 4 20 4693.03 276.304 19 2 -4 20 4890.61 295.934 19 2 -4 20 4814.84 295.524 20 2 -4 20 4932.88 317.317 16 2 4 20 4890.38 267.630 17 2 4 22 2002.42 166.240 14 2 4 22 2257.41 179.812 15 2 4 22 2281.59 183.918 13 2 -4 22 2214.58 192.616 15 2 -4 22 2182.28 183.665 19 2 4 22 2231.23 177.894 19 2 -4 22 2258.49 191.008 20 2 -4 22 2398.00 205.864 16 2 4 24 224.020 55.3492 15 2 -4 24 171.414 55.1104 15 2 -4 24 350.052 76.6807 16 2 -4 24 501.562 83.7003 20 2 -4 24 581.211 86.1209 19 2 4 24 377.178 69.2856 19 2 -4 26 315.874 56.7618 15 2 -4 26 224.535 50.5486 20 2 -4 26 221.182 45.9962 19 2 4 26 211.640 44.3876 19 2 -4 26 266.053 53.0165 16 2 -4 28 2192.28 106.426 20 2 -4 28 2247.83 110.704 16 -2 -5 29 10727.4 269.427 20 -2 -5 27 2.52726 6.81322 16 -2 -5 27 11982.8 313.151 20 -2 5 25 33914.4 596.414 11 -2 -5 25 35380.4 605.689 16 -2 -5 25 33175.8 605.786 20 -2 -5 25 31667.5 511.778 19 -2 5 23 20287.4 601.588 11 -2 5 23 19703.7 554.539 12 -2 -5 23 18523.0 515.228 4 -2 -5 23 19342.9 581.997 20 -2 -5 23 18665.6 524.578 19 -2 5 23 18411.7 526.098 20 -2 5 21 44943.8 1020.58 12 -2 5 21 43518.6 1046.46 11 -2 -5 21 42190.6 929.404 4 -2 -5 21 41127.0 891.894 3 -2 -5 21 42510.0 1001.68 20 -2 -5 21 40250.2 924.520 19 -2 5 21 41010.3 944.738 20 -2 5 19 4806.01 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1547.95 5 -2 5 3 73180.6 1408.46 9 -2 -5 1 74056.4 1564.35 5 -2 5 1 73737.3 1459.11 9 -2 -5 -1 90589.5 1766.84 5 2 5 1 89317.8 1858.36 9 -2 -5 -3 34740.4 869.862 5 2 5 3 33736.8 968.012 9 2 5 5 135481. 2547.78 9 2 -5 5 133839. 2320.15 10 -2 -5 -7 17331.9 547.279 5 2 -5 7 18259.8 594.338 10 2 5 7 19383.3 739.408 9 2 -5 9 114641. 2189.74 10 2 5 11 2004.17 177.861 17 2 -5 11 2050.75 181.900 2 2 5 11 2155.21 177.944 1 2 5 11 1822.56 164.615 15 2 5 11 1897.21 182.016 13 2 5 11 1936.65 174.461 14 2 -5 11 1971.67 190.840 3 2 5 11 1765.81 159.415 11 2 -5 11 1518.24 179.453 10 2 -5 13 106702. 1979.33 20 2 5 13 102773. 1933.46 17 2 -5 13 102260. 1912.13 2 2 5 13 103097. 1929.07 14 2 5 13 104891. 1932.82 15 2 5 13 103873. 1897.48 11 2 -5 13 102840. 1994.22 3 2 -5 15 9781.13 436.679 20 2 5 15 9396.50 406.059 17 2 -5 15 8979.17 383.705 2 2 5 15 9359.09 422.134 1 2 5 15 9755.44 417.982 14 2 5 15 9224.84 405.583 15 2 5 15 9467.61 427.913 13 2 5 15 9263.90 391.238 11 2 -5 15 9088.33 411.578 3 2 5 17 60347.3 1300.18 17 2 5 17 60544.2 1357.56 1 2 5 17 64265.2 1372.94 13 2 5 17 60072.0 1311.16 15 2 -5 17 64464.3 1408.72 15 2 5 17 62060.6 1331.53 14 2 5 17 63081.8 1295.05 11 2 -5 17 58295.6 1286.20 19 2 -5 17 62958.2 1373.54 20 2 5 19 15240.5 527.845 14 2 5 19 14093.6 508.616 15 2 -5 19 14502.7 554.736 15 2 5 19 15032.9 530.500 13 2 -5 19 14240.6 534.432 20 2 -5 19 13831.7 497.235 19 2 5 19 14187.0 490.295 11 2 5 19 14146.3 487.642 17 2 5 21 30543.9 779.610 14 2 -5 21 32216.2 846.143 15 2 5 21 29944.2 793.174 13 2 5 21 30458.4 771.879 15 2 -5 21 30310.0 804.467 20 2 -5 21 29092.4 756.472 19 2 5 21 31231.0 743.733 11 2 -5 21 33464.4 874.838 16 2 5 21 29795.8 717.004 17 2 -5 23 33454.7 810.839 16 2 -5 23 30760.7 762.937 20 2 -5 23 29491.8 707.185 19 2 5 23 31277.3 737.204 14 2 -5 23 33240.5 797.988 15 2 -5 25 20673.1 534.952 16 2 -5 25 20813.2 525.383 20 2 -5 25 20286.0 524.251 15 2 -5 27 18480.1 412.264 16 2 -5 27 18271.6 408.978 20 2 -5 27 17536.1 389.356 15 -2 -6 28 15018.0 326.358 20 -2 -6 26 243.767 47.7324 20 -2 6 26 161.977 38.0011 11 -2 -6 26 280.366 49.2443 16 -2 6 24 25407.7 650.295 11 -2 -6 24 26080.2 637.121 20 -2 -6 24 26507.3 646.888 16 -2 -6 22 3641.41 219.455 20 -2 -6 22 3190.28 177.870 3 -2 6 22 3291.02 211.315 12 -2 6 22 3353.21 226.115 11 -2 -6 20 43273.3 984.137 20 -2 6 20 41240.5 919.118 20 -2 6 20 43615.0 1013.50 12 -2 6 20 43571.7 1048.47 11 -2 -6 20 41283.3 905.688 3 -2 -6 18 16313.7 539.326 20 -2 6 18 16881.6 586.691 12 -2 6 18 16174.1 604.046 11 -2 -6 18 15856.2 496.550 3 -2 -6 18 15635.4 463.403 2 -2 -6 16 41512.0 963.465 20 -2 -6 16 40100.7 894.722 2 -2 6 16 42480.6 1042.40 12 -2 6 16 40211.4 1066.98 11 -2 -6 16 41042.4 927.022 3 -2 -6 14 50491.1 1097.72 20 -2 6 14 50802.0 1462.20 7 -2 -6 14 51029.4 1064.93 2 -2 6 14 46296.5 1205.50 14 -2 6 14 49129.7 1238.32 11 -2 6 14 54218.5 1215.35 12 -2 -6 14 52225.2 1100.19 3 -2 -6 12 45698.7 973.644 20 -2 -6 12 43166.4 1206.63 5 -2 6 12 45996.4 1329.26 7 -2 -6 12 46064.2 1014.05 3 -2 6 12 44387.3 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55.8938 14 2 -6 22 137.208 53.1472 15 2 6 22 297.739 57.1576 11 2 -6 22 266.507 66.6756 20 2 -6 24 32525.5 722.927 20 2 -6 24 33283.6 731.791 16 2 -6 24 33977.1 734.534 15 2 -6 26 912.788 75.5822 20 2 -6 26 855.784 71.3000 16 2 -6 26 818.123 66.3482 15 -2 -7 25 145.454 35.2374 16 -2 7 25 140.254 35.3649 11 -2 -7 25 196.760 39.5931 20 -2 -7 23 84.8620 28.0167 3 -2 -7 23 71.3566 33.7763 20 -2 7 23 9.51207 11.0401 12 -2 7 23 58.4541 34.9938 11 -2 -7 21 564.503 83.8275 20 -2 -7 21 650.884 87.4821 15 -2 7 21 525.080 84.1361 12 -2 7 21 514.750 91.7737 11 -2 -7 21 659.369 80.3367 3 -2 -7 19 249.705 59.4218 3 -2 -7 19 390.897 63.8635 2 -2 -7 19 248.152 63.3558 20 -2 7 19 417.503 83.9742 12 -2 7 19 188.380 65.6449 11 -2 -7 17 276.988 64.5622 3 -2 -7 17 207.476 51.5107 2 -2 -7 17 73.2154 39.9295 20 -2 7 17 72.2306 49.0560 12 -2 -7 15 269.837 65.2160 20 -2 7 15 224.823 72.6236 12 -2 -7 15 221.211 56.1413 2 -2 -7 15 359.398 72.9691 3 -2 7 13 4794.25 397.365 7 -2 -7 13 4388.02 250.966 3 -2 7 13 3958.05 288.249 11 -2 7 13 4530.40 295.923 12 -2 -7 13 4318.45 242.355 2 -2 7 11 2380.20 216.335 14 -2 -7 11 2317.60 179.334 2 -2 7 11 2714.60 225.385 12 -2 7 11 2608.21 234.156 11 -2 7 11 2240.52 268.529 7 -2 -7 9 1711.19 211.744 5 -2 -7 9 2048.83 167.494 3 -2 7 9 1815.75 186.961 14 -2 7 9 2215.69 199.918 12 -2 -7 9 1852.76 161.169 2 -2 7 7 29.2736 37.7859 11 -2 -7 7 28.6177 39.2889 5 -2 -7 7 81.6857 42.7969 3 -2 -7 7 57.1890 36.1964 2 -2 7 7 89.3149 62.6521 7 2 7 -5 580.859 135.821 9 -2 -7 5 521.782 111.690 5 -2 -7 5 637.501 93.8663 3 -2 -7 5 565.190 90.7058 2 -2 7 5 579.852 128.629 7 2 7 -3 671.876 143.320 9 -2 -7 3 751.179 132.601 5 -2 -7 3 782.866 104.618 2 2 7 -3 775.061 104.588 1 -2 7 3 617.706 126.461 7 2 7 -1 4713.91 371.715 9 -2 7 1 4988.19 324.011 9 -2 -7 1 5087.20 339.861 5 2 7 -1 5000.93 268.367 1 -2 7 1 5546.53 376.146 7 -2 7 -1 11172.4 516.118 9 2 7 1 11329.1 587.587 9 2 7 1 11695.8 421.622 11 -2 7 -1 11135.0 542.034 7 -2 -7 -1 12160.1 525.425 5 2 7 1 11393.0 421.540 1 2 -7 1 10917.8 446.886 2 2 -7 3 74.0027 45.6565 2 2 -7 3 6.05477 31.2810 3 2 7 3 637.840 93.9047 1 2 -7 3 48.7242 34.7645 20 2 7 3 230.612 61.3473 17 -2 7 -3 342.811 97.1871 7 -2 -7 -3 145.463 57.1564 5 2 7 3 168.159 76.0595 9 2 7 3 47.0544 33.5749 11 -2 7 -3 433.309 104.817 9 2 -7 5 358.421 75.7974 20 2 7 5 287.659 69.4648 17 2 7 5 365.663 75.9775 14 2 7 5 563.754 91.1236 11 -2 7 -5 364.982 96.8575 7 2 -7 7 290.721 78.3105 3 2 -7 7 648.773 111.160 2 2 7 7 849.378 113.732 1 2 7 7 426.526 83.9292 14 2 7 7 519.753 86.5919 13 2 -7 7 340.728 76.7775 20 2 7 7 492.666 128.752 9 2 -7 9 3054.25 224.851 20 2 7 9 3572.53 244.290 17 2 7 9 2965.51 217.701 1 2 -7 9 3687.42 253.422 2 2 7 9 3855.26 246.329 14 2 7 9 3401.60 230.052 13 2 -7 9 3628.05 258.411 3 2 7 9 3281.73 227.149 11 2 -7 11 2192.58 192.310 20 2 7 11 1900.32 180.628 17 2 -7 11 2250.00 194.644 2 2 7 11 2047.62 182.671 1 2 7 11 1908.21 175.636 13 2 7 11 1934.14 179.440 14 2 7 11 2003.05 181.488 11 2 -7 11 2111.34 197.591 3 2 7 13 482.858 90.9541 17 2 7 13 365.402 80.1044 1 2 -7 13 320.188 77.8024 3 2 7 13 450.077 88.0001 11 2 7 13 371.574 83.1422 13 2 -7 13 463.774 98.5564 20 2 -7 15 145.539 61.8664 20 2 7 15 287.971 70.6587 17 2 -7 15 347.305 75.5746 2 2 7 15 155.874 60.6928 14 2 7 15 315.074 74.5515 13 2 7 15 261.953 71.2490 11 2 -7 17 491.745 96.5800 16 2 -7 17 593.324 87.4170 2 2 7 17 374.374 80.2337 14 2 7 17 361.447 81.7952 13 2 7 19 1147.53 122.739 11 2 -7 19 1053.07 131.835 15 2 7 19 1209.56 134.769 14 2 -7 19 1070.51 130.095 16 2 7 21 1673.26 130.214 11 2 7 21 1749.65 143.995 14 2 -7 21 2040.18 162.372 15 2 -7 21 1830.51 152.239 16 2 -7 23 1246.37 106.324 15 2 -7 23 1132.62 102.926 20 2 -7 25 65.5468 22.4059 15 2 -7 25 63.8935 23.2199 20 -2 8 24 25772.6 560.332 11 -2 -8 24 27558.5 556.358 16 -2 -8 22 3442.49 155.906 20 -2 8 22 3360.04 185.163 11 -2 -8 22 3549.95 149.406 3 -2 -8 20 39219.2 782.076 2 -2 -8 20 41714.9 839.408 20 -2 8 20 40876.3 928.710 11 -2 8 20 40565.3 882.597 12 -2 -8 20 39222.0 815.435 3 -2 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955.983 1 3 10 11 44179.4 923.325 14 3 10 13 11298.7 365.399 14 3 -10 13 11419.9 388.558 15 3 -10 13 11354.7 367.495 2 3 10 13 12539.2 393.341 1 3 10 13 11550.8 373.692 11 3 10 15 30660.2 655.236 14 3 -10 15 30111.1 670.371 15 3 -10 15 29967.7 633.547 2 3 10 15 30290.4 656.996 11 3 10 17 2292.95 123.002 14 3 -10 17 2469.72 130.828 15 3 10 17 2293.70 123.274 11 -3 11 18 43.8324 17.5459 12 -3 -11 18 84.9632 17.1935 2 -3 11 16 87.6188 28.9315 12 -3 -11 16 65.3696 22.7974 2 -3 -11 16 62.3322 23.0367 3 -3 11 16 30.8620 20.3122 11 -3 11 14 119.805 39.5564 12 3 11 -14 195.713 35.1770 1 -3 -11 14 157.685 34.6712 3 -3 -11 14 133.990 34.7884 2 -3 11 14 92.1826 31.7107 11 -3 11 12 578.484 81.2765 12 -3 11 12 465.870 65.5876 11 3 11 -12 550.413 65.6360 1 -3 -11 12 441.304 61.5168 2 -3 -11 12 568.611 66.1440 3 -3 11 10 321.210 55.6299 11 3 11 -10 386.657 60.4592 1 -3 -11 10 335.921 55.5242 3 -3 11 8 1298.09 133.543 12 3 11 -8 1273.19 111.466 1 -3 -11 8 953.037 97.1158 2 -3 -11 8 956.423 90.6026 3 3 11 -6 139.424 43.4841 1 -3 -11 6 142.689 39.2699 3 -3 -11 6 78.2952 37.5888 2 -3 11 6 41.6996 35.3853 12 -3 -11 4 235.982 50.4836 2 3 11 -4 185.685 49.1630 1 -3 11 4 244.620 66.2803 12 3 -11 -2 1201.22 114.064 2 3 11 -2 1101.05 113.801 1 -3 -11 2 952.419 95.4158 2 -3 11 2 1004.33 119.078 12 3 11 0 196.899 45.9729 11 3 -11 0 80.4306 41.1861 2 3 11 0 131.405 45.2671 1 -3 -11 0 197.166 42.5047 2 -3 11 0 82.2717 43.8733 12 3 11 2 2406.89 165.869 1 3 -11 2 2371.50 174.842 2 -3 11 -2 2648.66 184.625 12 3 11 2 2524.18 158.389 11 3 11 4 1623.53 134.907 1 3 -11 4 1815.18 150.699 2 3 11 4 1452.60 121.336 11 -3 11 -4 1373.05 122.228 12 3 11 6 138.328 43.5617 11 3 -11 6 63.1832 40.3710 2 3 11 6 95.8984 40.3240 1 3 11 8 153.772 38.3807 14 3 11 8 176.431 44.4778 11 3 11 8 238.814 51.4427 1 3 11 10 1990.87 135.308 11 3 11 10 1948.91 119.981 14 3 -11 10 1821.26 131.676 2 3 11 10 1995.13 138.029 1 3 11 12 549.902 68.0086 11 3 11 12 488.386 57.5267 14 3 -11 12 542.447 67.0869 15 3 11 12 421.953 58.5332 1 3 -11 12 581.526 67.4914 2 3 -11 14 981.042 77.3870 15 3 -11 14 791.464 66.5898 2 -3 -12 13 9609.78 239.430 2 -3 12 13 9552.09 268.130 12 -3 -12 11 20228.1 397.256 3 -3 -12 9 4203.99 143.895 3 -3 12 9 4279.13 197.368 12 -3 -12 9 4654.10 176.764 2 3 12 -9 4240.97 152.460 1 -3 12 7 26761.9 627.717 12 3 12 -7 27429.3 551.544 1 -3 -12 7 27259.5 570.493 2 -3 12 5 315.790 59.9919 12 3 12 -5 289.189 46.7944 1 -3 -12 5 391.999 53.5022 2 -3 12 3 39916.1 845.079 12 -3 -12 3 39121.6 757.457 2 -3 12 1 414.340 66.6334 12 3 12 -1 470.835 60.0847 1 -3 -12 1 418.107 49.7334 2 -3 12 -1 32509.5 689.894 12 3 12 1 33481.1 672.340 1 -3 12 -3 3947.74 172.877 12 3 12 3 4229.05 174.695 11 3 -12 3 4403.32 197.502 2 3 12 3 4680.77 194.734 1 3 12 5 23544.8 519.245 12 3 12 5 24796.5 522.513 11 3 -12 5 25013.3 561.911 2 3 12 5 24209.6 527.123 1 3 12 7 18691.4 426.658 11 3 -12 7 18479.8 445.213 2 3 12 7 18498.1 429.455 1 3 -12 9 19352.7 407.933 15 3 -12 9 18731.6 423.025 2 3 12 11 18141.2 364.803 11 3 -12 11 15238.5 330.011 15 -3 13 6 9632.02 244.162 12 -3 -13 6 8137.74 193.191 2 -3 13 4 12309.3 299.586 12 -3 13 2 8900.99 237.347 12 -3 13 0 12364.4 269.574 12 3 13 2 5871.29 176.092 12 3 13 4 7926.26 192.645 12 -4 0 30 31437.1 603.449 4 -4 0 30 30543.6 619.461 20 -4 0 30 31040.1 618.897 19 -4 0 28 1858.50 131.551 4 -4 0 28 2081.08 153.083 20 -4 0 28 1974.81 142.064 19 -4 0 26 72833.0 1371.79 12 -4 0 26 73902.8 1393.66 4 -4 0 26 76710.5 1431.53 19 -4 0 26 71800.7 1448.26 20 -4 0 24 11257.0 432.756 12 -4 0 24 11899.0 444.681 4 -4 0 24 12345.6 463.701 19 -4 0 22 56435.1 1244.05 12 -4 0 22 53081.3 1573.79 18 -4 0 22 57316.0 1256.29 4 -4 0 20 25000.6 1045.80 18 -4 0 20 27647.9 771.401 12 -4 0 20 27019.8 794.538 4 -4 0 20 24019.8 747.536 20 -4 0 18 58672.2 1803.10 18 -4 0 18 60974.1 1430.40 4 -4 0 18 62232.1 1339.36 12 -4 0 16 38892.6 1425.10 18 -4 0 16 42565.5 1124.94 4 -4 0 16 41731.1 999.074 12 -4 0 16 39917.1 981.085 11 -4 0 14 23393.1 994.196 18 -4 0 14 23843.9 761.745 4 -4 0 14 22688.7 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16 7445.38 393.476 15 4 0 16 7637.27 406.778 6 4 0 16 8072.79 505.689 19 4 0 16 7875.95 366.528 17 4 0 16 8013.30 410.964 16 4 0 18 83805.1 1721.21 15 4 0 18 79543.2 1679.84 6 4 0 18 81790.9 1868.68 19 4 0 18 79738.5 1590.38 17 4 0 18 83236.3 1727.57 16 4 0 20 1906.10 190.956 15 4 0 20 3359.34 240.573 6 4 0 20 3411.89 286.915 19 4 0 20 1652.17 152.870 17 4 0 20 1933.35 194.260 16 4 0 22 98726.6 1983.36 19 4 0 22 101236. 1910.75 15 4 0 22 100668. 1907.11 16 4 0 24 2854.38 208.402 19 4 0 24 3282.96 209.471 15 4 0 24 3013.63 199.084 16 4 0 26 39780.1 830.471 19 4 0 26 40390.7 810.960 15 4 0 26 40112.3 794.988 16 -4 1 29 2451.05 134.099 4 -4 1 29 2401.42 146.217 20 -4 -1 29 2124.14 132.587 19 -4 1 29 2555.09 142.912 19 -4 1 27 4437.07 207.923 4 -4 1 27 4298.57 214.438 19 -4 1 27 4133.91 225.565 20 -4 1 25 637.695 93.4641 12 -4 1 25 573.321 91.0759 4 -4 1 25 560.430 93.2511 19 -4 -1 25 884.178 120.015 20 -4 1 25 728.356 113.823 20 -4 1 23 9659.44 577.216 18 -4 -1 23 9348.07 576.811 18 -4 -1 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9435.05 411.353 4 -4 -4 12 8999.57 411.019 3 -4 4 12 9584.31 542.531 18 -4 -4 12 9910.53 569.487 18 -4 -4 10 74.7703 43.8692 3 -4 4 10 109.123 63.6675 11 4 4 -10 35.7066 41.4385 9 -4 4 10 94.0454 58.6478 7 -4 4 10 135.124 65.4856 18 -4 4 10 89.5206 45.4853 12 -4 -4 10 64.1390 55.1907 5 -4 4 8 4388.25 340.158 7 -4 -4 8 3727.07 307.990 5 4 -4 -8 3848.83 293.713 10 4 4 -8 3492.08 320.361 9 -4 4 6 1087.97 169.582 7 -4 -4 6 1282.68 173.611 5 4 4 -6 1364.78 158.600 10 4 -4 -6 1228.30 120.101 8 4 -4 -6 1417.40 169.289 10 4 4 -6 1212.08 181.251 9 -4 -4 4 16502.0 661.168 5 4 4 -4 16051.0 675.428 9 4 -4 -4 17314.5 624.889 10 4 4 -4 17745.9 593.693 10 4 -4 -4 18082.3 492.801 8 4 4 -2 2019.47 218.492 9 4 4 -2 1856.38 170.937 10 4 -4 0 13463.5 408.840 8 -4 -4 0 14867.1 560.691 5 4 4 0 13835.4 598.110 9 4 4 0 14062.0 513.615 10 4 -4 0 13860.4 521.189 10 4 -4 2 143.460 41.2174 8 4 -4 2 213.757 49.0528 6 -4 -4 -2 277.881 76.8665 5 4 4 2 217.164 76.3956 9 4 4 2 109.837 51.3004 10 4 -4 2 231.520 68.5370 10 4 -4 4 2377.16 170.280 8 4 -4 4 2142.52 156.306 6 -4 -4 -4 1971.60 196.003 5 4 4 4 2437.37 223.780 10 4 -4 4 2178.25 213.613 10 4 -4 6 300.558 65.4131 6 4 4 6 79.8211 38.9503 8 4 -4 6 292.984 66.3978 8 4 4 6 356.385 66.3088 6 4 -4 6 386.073 102.630 10 4 4 6 589.262 123.035 10 -4 -4 -6 187.705 64.0791 5 -4 -4 -8 8420.76 426.266 5 4 -4 8 7285.26 392.295 2 4 4 8 7977.70 345.075 1 4 -4 8 8328.23 393.670 20 4 4 8 8241.11 364.419 16 4 4 8 8010.68 348.365 6 4 -4 8 8442.28 368.223 6 4 4 8 8980.53 386.996 8 4 -4 8 7818.10 377.162 8 4 4 8 8498.37 400.671 14 4 4 8 7593.52 358.027 15 4 4 8 7902.31 411.275 13 4 4 8 8342.87 485.479 10 4 -4 8 8013.58 491.486 10 4 4 8 7805.08 359.803 11 4 4 10 7227.10 334.989 1 4 -4 10 6239.83 350.429 2 4 -4 10 7943.88 382.224 19 4 -4 10 6826.31 365.933 20 4 4 10 6858.56 340.880 17 4 4 10 6476.16 331.886 16 4 -4 10 5947.90 386.167 16 4 4 10 6890.38 347.041 6 4 -4 10 7472.95 372.416 6 4 4 10 7227.99 381.982 8 4 -4 10 7073.96 387.919 8 4 -4 10 7112.25 378.827 15 4 4 10 6530.40 354.235 14 4 4 10 6652.55 474.025 10 4 -4 10 7145.47 500.998 10 4 4 10 6850.39 327.205 11 -4 -4 -10 7083.19 388.012 5 4 4 12 51.5857 34.5717 1 4 -4 12 105.827 49.3823 2 4 -4 12 224.588 71.3140 20 4 -4 12 66.2133 42.8595 19 4 4 12 105.551 46.3584 19 4 4 12 57.9253 41.3187 16 4 4 12 204.788 64.5577 17 4 4 12 88.3850 50.1146 6 4 -4 12 47.0661 39.1737 6 4 -4 12 62.5989 43.9258 15 4 -4 12 94.2678 56.8333 16 4 4 12 157.535 61.2470 15 4 4 12 51.3886 56.5649 13 4 4 12 170.998 86.8588 10 4 -4 12 96.4826 67.8440 10 4 4 12 65.0097 39.5661 11 4 -4 14 10611.7 492.656 19 4 4 14 11221.8 467.422 19 4 -4 14 11606.6 517.500 20 4 4 14 11121.3 460.698 16 4 -4 14 10818.8 533.002 16 4 4 14 11755.0 472.893 17 4 4 14 11046.0 438.922 6 4 -4 14 11583.4 463.079 6 4 4 14 12492.1 522.833 13 4 4 14 11610.0 486.255 15 4 -4 14 11267.2 514.117 15 4 4 14 11104.2 454.960 14 4 4 14 10767.7 452.338 1 4 4 14 11133.6 614.569 10 4 -4 14 11234.9 638.888 10 4 4 14 11238.3 423.275 11 4 4 16 2650.44 213.801 16 4 -4 16 2593.25 251.227 16 4 -4 16 2876.28 202.115 17 4 4 16 2675.05 218.322 17 4 -4 16 2721.11 207.356 6 4 4 16 2499.47 196.057 6 4 4 16 2771.21 229.981 13 4 4 16 2858.49 229.432 15 4 4 16 2631.42 205.687 14 4 -4 16 2610.91 240.007 15 4 4 16 2607.60 212.421 1 4 -4 16 2725.41 236.741 19 4 4 16 2822.34 225.358 19 4 -4 16 2818.22 237.296 20 4 4 18 339.993 75.4913 14 4 4 18 696.218 110.085 13 4 4 18 285.699 79.5371 15 4 4 18 227.156 65.2598 16 4 -4 18 559.970 112.722 16 4 4 18 259.994 68.9467 17 4 -4 18 227.207 70.3911 20 4 -4 18 442.327 95.3507 19 4 4 18 174.616 58.3869 19 4 4 20 283.127 63.1129 14 4 4 20 233.400 65.6187 15 4 4 20 280.581 63.1304 17 4 4 20 398.535 76.3860 16 4 4 20 291.154 67.3441 13 4 -4 20 461.979 86.3037 20 4 -4 20 264.981 67.4739 19 4 4 20 251.830 64.1892 19 4 4 22 3155.95 196.283 15 4 -4 22 3133.33 208.030 15 4 4 22 2501.37 160.997 13 4 4 22 2756.11 156.050 17 4 4 22 2855.68 168.437 16 4 -4 22 2702.96 176.798 19 4 4 22 2972.11 177.670 19 4 -4 22 2821.71 181.700 20 4 -4 24 513.532 73.0779 15 4 -4 24 442.962 69.4227 16 4 -4 24 413.581 58.5198 20 4 -4 26 414.678 48.1379 15 4 -4 26 421.891 48.4510 16 -4 -5 27 19624.7 423.260 20 -4 5 27 19242.6 423.950 20 -4 -5 25 7383.18 269.461 20 -4 5 25 7643.89 279.272 20 -4 -5 25 6365.00 219.439 4 -4 5 25 7059.38 271.596 12 -4 5 25 6874.18 286.452 11 -4 -5 23 27268.9 636.551 19 -4 -5 23 29760.0 696.625 20 -4 5 23 30042.2 719.356 20 -4 -5 23 28285.7 630.163 4 -4 5 23 29330.5 764.712 11 -4 5 23 28395.7 732.046 12 -4 -5 21 1338.35 124.575 19 -4 -5 21 1616.20 146.719 20 -4 -5 21 1400.40 122.882 4 -4 -5 21 1318.63 117.351 3 -4 5 21 1482.15 172.305 11 -4 -5 19 38183.4 895.800 19 -4 -5 19 40738.2 932.468 20 -4 5 19 41979.0 1105.46 11 -4 5 19 42501.5 1055.25 12 -4 -5 19 38306.5 875.554 4 -4 -5 19 38297.3 884.421 3 -4 -5 17 279.894 87.5928 5 -4 -5 17 114.578 44.5567 4 -4 -5 17 102.171 43.5060 20 -4 5 17 234.734 88.8930 11 4 5 -17 369.829 123.984 9 -4 5 17 63.0782 50.6118 12 -4 -5 17 56.8624 34.6157 2 -4 -5 17 54.0929 37.6721 3 -4 -5 15 57492.6 1208.46 2 -4 -5 15 56747.4 1491.24 18 4 5 -15 57519.9 1682.12 9 -4 5 15 56687.4 1549.32 7 -4 -5 15 52082.0 1420.98 5 -4 5 15 59497.8 1372.58 12 -4 -5 15 55801.8 1233.78 3 -4 -5 13 11130.2 579.374 18 4 5 -13 10318.5 622.641 9 -4 5 13 10018.1 569.468 7 -4 5 13 10048.7 477.988 12 -4 5 13 9447.75 531.213 11 -4 -5 13 9996.67 446.772 3 -4 -5 13 10642.9 555.736 5 -4 -5 11 88586.8 1764.52 3 -4 -5 11 90307.4 1997.60 18 -4 5 11 90169.1 2017.85 7 -4 -5 11 89854.7 2003.34 5 -4 -5 9 43137.6 1138.63 18 4 -5 -9 40462.0 1080.14 10 4 5 -9 37580.3 1243.75 9 -4 5 9 40273.3 1200.25 7 -4 5 9 38586.1 1044.17 12 -4 5 9 37198.8 1183.60 11 -4 -5 9 40489.2 1206.62 5 -4 -5 7 106997. 1957.10 3 4 -5 -7 112267. 2070.38 10 4 5 -7 100562. 2300.78 9 -4 5 7 103856. 2257.47 7 -4 -5 7 103564. 2057.71 18 -4 5 7 98560.5 2026.84 12 -4 -5 7 104849. 2229.55 5 -4 5 5 40355.2 1184.43 7 4 -5 -5 37428.9 943.815 10 4 5 -5 37709.7 1177.36 9 4 5 -3 50362.2 1392.60 9 4 -5 -3 49614.4 1120.25 10 4 5 -1 49739.1 1392.14 9 4 -5 -1 50749.1 1154.05 10 -4 -5 -1 23557.7 780.299 5 4 -5 1 22849.3 686.938 10 4 5 1 21291.2 834.359 9 4 -5 3 80024.6 1635.93 20 4 5 3 82501.4 1568.12 1 4 5 3 77196.7 1594.59 14 4 -5 3 83803.9 1710.22 10 4 5 3 82227.0 1943.28 9 -4 -5 -5 1167.73 155.544 5 4 -5 5 1631.41 166.629 20 4 5 5 1199.64 134.073 16 4 5 5 1456.58 150.132 17 4 -5 5 1456.42 193.713 2 4 5 5 1037.18 122.168 1 4 5 5 959.440 131.591 14 4 5 5 1421.37 146.949 15 4 5 5 1116.88 142.128 13 4 -5 5 1446.25 177.488 10 -4 -5 -7 139055. 2528.39 5 4 5 7 130649. 2339.50 1 4 -5 7 126795. 2546.36 2 4 -5 7 132092. 2423.75 20 4 5 7 134442. 2366.98 16 4 5 7 133714. 2387.43 17 4 5 7 127800. 2378.27 15 4 5 7 133203. 2499.44 13 4 -5 7 137346. 2680.47 10 4 5 7 131943. 2373.83 11 -4 -5 -9 1016.82 145.038 5 4 5 9 703.949 107.797 1 4 -5 9 876.585 140.407 2 4 -5 9 667.065 134.596 16 4 5 9 983.188 126.883 16 4 -5 9 1045.35 128.566 6 4 5 9 929.531 134.600 14 4 5 9 802.216 139.662 13 4 -5 9 876.781 166.646 10 4 5 9 849.163 115.163 11 4 -5 11 108051. 2034.83 20 4 -5 11 92956.2 2102.11 16 4 5 11 105371. 1939.38 16 4 5 11 101858. 1957.03 17 4 -5 11 106218. 1905.96 6 4 5 11 98242.7 2026.92 13 4 5 11 104953. 1989.56 15 4 5 11 102020. 1980.21 14 4 -5 11 99685.6 2046.47 15 4 5 11 97215.6 1903.38 1 4 -5 11 98370.1 2013.23 2 4 -5 11 103307. 2259.72 10 4 5 11 100968. 1889.59 11 4 -5 13 2423.80 221.631 20 4 -5 13 2202.62 235.730 16 4 5 13 1729.83 170.696 16 4 5 13 1968.53 191.638 17 4 -5 13 1747.41 160.516 6 4 5 13 1895.77 189.980 15 4 5 13 1850.13 178.933 14 4 -5 13 2124.15 218.758 15 4 5 13 1692.65 158.757 11 4 -5 13 1792.83 231.096 10 4 -5 13 1725.17 181.242 2 4 5 13 1668.71 164.230 1 4 -5 15 35408.7 927.338 19 4 -5 15 38870.4 1009.31 20 4 -5 15 38336.6 1078.75 16 4 5 15 35440.6 936.007 17 4 5 15 36966.8 927.261 16 4 -5 15 36370.7 871.748 6 4 5 15 37730.9 973.080 13 4 5 15 36660.5 968.729 15 4 5 15 38593.9 938.098 14 4 -5 15 38100.9 1039.01 15 4 5 15 36932.8 884.437 11 4 -5 15 40478.4 958.384 2 4 5 15 36689.2 941.188 1 4 -5 17 26767.2 821.142 16 4 5 17 25337.2 710.608 17 4 5 17 25176.7 699.937 16 4 -5 17 23424.6 688.783 19 4 -5 17 25608.1 752.256 20 4 5 17 26251.3 748.357 15 4 5 17 25914.0 732.142 13 4 5 17 24418.4 688.713 14 4 -5 17 26412.2 798.909 15 4 5 17 24776.2 651.617 11 4 5 17 23615.5 704.150 1 4 5 19 31341.3 795.601 13 4 5 19 31465.0 769.381 14 4 5 19 32335.4 823.547 15 4 -5 19 30805.8 821.594 20 4 -5 19 33731.2 892.853 16 4 5 19 32268.8 786.741 17 4 5 19 31834.7 772.727 16 4 5 21 24705.2 600.808 14 4 5 21 24301.2 620.732 13 4 -5 21 23612.6 628.274 20 4 -5 21 25516.1 682.984 16 4 5 21 23845.4 583.024 17 4 -5 23 11934.0 354.384 20 4 -5 23 11151.2 368.709 16 4 -5 25 20450.8 443.001 15 -4 6 26 3.60862 7.42936 12 -4 -6 24 3609.91 167.684 20 -4 6 24 3785.07 181.314 20 -4 6 24 3763.09 194.381 12 -4 6 24 3811.56 207.396 11 -4 -6 22 21780.2 542.802 20 -4 6 22 22976.7 584.313 20 -4 6 22 21385.0 637.389 11 -4 6 22 22352.5 623.472 12 -4 -6 20 13617.8 426.944 20 -4 -6 20 13191.3 415.120 3 -4 6 20 13758.4 538.797 11 -4 6 20 14034.5 521.129 12 -4 -6 18 32734.3 786.755 3 -4 6 18 35845.2 948.824 12 -4 6 18 33802.1 981.704 11 -4 -6 18 33792.5 765.364 2 -4 -6 16 11755.4 415.386 2 4 6 -16 12043.4 698.245 9 -4 6 16 12186.7 529.555 12 -4 -6 16 11116.8 425.889 3 -4 6 16 11562.1 628.418 7 -4 -6 16 10390.3 536.705 5 -4 -6 14 17707.1 561.923 2 4 6 -14 18267.5 879.254 9 -4 6 14 18124.9 676.106 12 -4 6 14 17115.4 715.130 11 -4 -6 14 17999.6 575.248 3 -4 -6 14 16779.3 710.832 5 -4 6 14 17424.0 785.713 7 -4 -6 12 70104.3 1430.43 2 4 6 -12 70355.8 1883.99 9 -4 -6 12 66296.6 1422.01 3 -4 -6 12 70398.3 1696.75 5 -4 6 12 70740.3 1773.82 7 -4 6 10 10085.6 492.793 12 -4 6 10 9315.15 566.340 11 -4 -6 10 11163.9 579.228 5 -4 6 10 10390.6 586.479 7 -4 -6 8 67508.8 1425.07 3 4 6 -8 68031.5 1800.04 9 -4 6 8 63433.0 1495.51 12 -4 6 8 63257.4 1635.64 11 -4 6 8 69100.5 1711.68 7 4 6 -6 740.427 163.680 9 -4 6 6 642.711 120.949 12 -4 6 6 860.390 145.100 11 -4 -6 6 775.844 118.820 3 -4 6 6 807.388 158.076 7 -4 -6 4 61502.4 1292.50 3 4 6 -4 60548.5 1615.16 9 -4 -6 4 65351.7 1543.45 5 -4 6 4 63932.0 1602.29 7 4 6 -2 9068.96 548.833 9 4 6 -2 9013.90 383.706 1 4 -6 -2 7794.45 404.661 2 -4 -6 2 9740.15 399.285 3 -4 6 2 6943.25 407.142 12 -4 -6 2 8977.60 487.189 5 4 6 0 100610. 1880.33 1 4 6 0 103759. 1900.97 14 4 6 0 103956. 2320.14 9 -4 -6 0 106510. 2142.18 5 4 6 2 11363.1 625.545 9 4 6 2 12631.8 452.248 17 4 6 2 11024.7 430.415 1 4 -6 2 10820.8 539.794 2 4 6 2 11891.1 465.577 14 4 6 2 11713.4 459.346 13 -4 -6 -2 11963.1 551.799 5 4 6 4 47331.7 1417.61 9 4 6 4 45251.9 1044.45 17 4 6 4 44656.6 1034.13 1 4 6 4 44685.3 1086.99 14 4 6 4 43911.8 1104.43 13 -4 -6 -4 47088.9 1214.28 5 -4 -6 -6 20740.6 740.702 5 4 -6 6 21166.6 683.660 20 4 6 6 21687.3 659.561 17 4 6 6 20740.1 632.356 1 4 -6 6 20495.9 801.041 2 4 6 6 21912.3 689.567 14 4 6 6 21753.3 727.036 13 4 6 6 21201.5 655.823 11 4 6 8 60423.4 1336.48 17 4 6 8 59675.3 1300.25 1 4 -6 8 59427.4 1495.13 2 4 6 8 61804.9 1394.46 13 4 -6 8 62692.2 1375.85 20 4 6 8 62337.6 1307.78 11 4 -6 10 41691.5 1177.44 16 4 6 10 45702.8 1068.97 1 4 -6 10 46367.4 1202.07 2 4 6 10 44738.1 1115.77 13 4 6 10 46884.8 1110.95 14 4 -6 10 45643.9 1135.70 20 4 6 10 46806.2 1063.24 11 4 -6 12 9952.43 487.896 16 4 6 12 9342.43 401.440 16 4 6 12 8202.35 394.805 17 4 -6 12 8890.36 437.597 2 4 6 12 8086.36 382.502 1 4 6 12 9053.24 425.699 13 4 6 12 8272.71 393.990 14 4 -6 12 8868.44 454.613 15 4 -6 12 8979.96 431.811 20 4 6 12 8227.81 369.531 11 4 6 14 56958.8 1232.50 16 4 6 14 57267.9 1268.52 17 4 -6 14 57527.5 1369.74 16 4 -6 14 60115.0 1310.30 2 4 6 14 57580.1 1270.77 1 4 6 14 57572.7 1263.75 14 4 -6 14 62195.6 1398.54 15 4 6 14 54707.8 1270.52 13 4 -6 14 60973.9 1349.53 20 4 6 14 56836.1 1211.34 11 4 -6 16 1120.76 148.970 16 4 6 16 1234.64 138.790 17 4 -6 16 1269.69 150.803 20 4 6 16 1268.99 136.844 14 4 -6 16 1509.05 172.292 15 4 6 16 1367.81 132.446 11 4 -6 16 1233.27 134.349 2 4 6 16 1269.07 145.934 1 4 6 18 38862.3 893.957 13 4 6 18 37507.0 871.891 14 4 -6 18 39468.7 966.830 15 4 -6 18 37443.1 917.892 20 4 6 18 36319.9 818.506 11 4 -6 18 38881.9 949.500 16 4 6 18 37273.7 857.134 17 4 6 20 555.082 77.2960 14 4 6 20 615.214 85.4567 13 4 -6 20 542.504 84.3199 20 4 -6 20 577.839 88.7065 16 4 6 20 503.464 71.6690 17 4 6 22 36847.3 739.107 14 4 -6 22 39490.3 789.924 20 4 -6 22 39119.8 797.518 16 4 -6 24 744.006 62.6328 16 4 -6 24 694.689 62.3654 15 -4 7 25 482.278 47.9407 12 -4 -7 23 432.718 51.1072 3 -4 7 23 427.945 64.8956 12 -4 7 23 494.089 75.6337 11 -4 -7 21 1708.15 119.335 3 -4 7 21 1803.43 161.019 11 -4 7 21 1948.53 161.794 12 -4 -7 19 1385.73 119.801 3 -4 7 19 1481.59 163.551 11 -4 7 19 1322.60 147.836 12 -4 -7 19 1361.06 110.596 2 -4 7 17 198.454 70.6688 12 -4 -7 17 125.561 43.7379 2 -4 -7 17 222.577 56.3329 3 -4 -7 15 70.7722 38.1949 2 -4 7 15 265.229 83.1708 11 4 7 -15 194.757 93.2759 9 -4 7 15 225.778 77.6015 12 -4 -7 15 115.068 59.7179 5 -4 -7 15 413.189 76.7152 3 -4 7 15 24.7765 43.1465 7 -4 -7 13 720.349 102.170 2 4 7 -13 701.014 168.030 9 -4 7 13 731.922 138.697 11 -4 -7 13 814.798 110.953 3 -4 7 13 633.962 148.036 7 -4 -7 13 757.095 144.745 5 -4 -7 11 306.492 74.9651 2 -4 7 11 336.654 100.021 11 4 7 -11 514.466 150.886 9 -4 7 11 702.452 127.995 12 -4 -7 11 259.438 92.3125 5 -4 7 11 631.056 146.019 7 -4 7 9 160.486 71.5910 11 4 7 -9 237.032 100.536 9 -4 7 9 313.524 89.9492 12 -4 -7 9 284.208 70.8370 3 -4 -7 9 161.646 62.0198 2 -4 7 9 114.032 73.8341 7 4 7 -7 7041.86 513.978 9 -4 7 7 7187.15 411.961 12 -4 7 7 6513.97 403.784 11 -4 -7 7 7115.61 463.144 5 -4 -7 7 7090.52 349.525 3 -4 7 7 7013.97 477.125 7 4 -7 -5 1382.82 156.210 2 4 7 -5 1540.43 160.599 1 -4 7 5 1242.55 169.117 12 -4 -7 5 1384.56 200.768 5 -4 -7 5 1497.55 156.652 3 4 7 -5 1467.30 233.255 9 4 7 -3 3513.97 239.972 1 4 -7 -3 3115.32 252.041 2 4 7 -3 3692.79 362.690 9 -4 7 3 2703.42 255.936 12 -4 -7 3 3741.52 328.321 5 -4 -7 3 3203.05 228.809 3 4 7 -1 250.920 69.6295 1 4 -7 -1 171.507 68.4992 2 4 7 -1 180.427 86.4401 9 -4 7 1 208.302 85.3220 7 4 7 -1 161.132 54.5441 14 -4 7 1 133.585 67.9520 12 -4 -7 1 95.2449 59.4439 5 4 7 1 98.5755 65.7585 9 4 7 1 85.7921 42.5680 17 -4 7 -1 98.0089 66.0579 7 4 7 1 117.298 49.0056 14 -4 -7 -1 61.1452 47.5953 5 4 -7 1 62.8882 48.4493 2 4 7 1 101.418 47.3574 1 4 7 3 2410.50 194.349 17 4 -7 3 2261.43 242.342 2 4 7 3 2096.93 185.210 1 4 7 3 2297.85 196.596 14 4 7 3 2622.89 208.521 11 -4 -7 -3 2339.37 246.170 5 4 7 5 91.1092 48.6077 14 4 7 5 279.941 69.6216 1 4 7 5 69.1724 39.1906 13 4 7 5 260.538 67.6034 17 4 7 7 2453.46 208.861 14 4 7 7 3138.37 229.765 13 4 7 7 2621.91 209.745 1 4 -7 7 3070.53 277.178 2 4 7 7 2839.55 219.378 17 4 7 7 2453.25 200.546 11 4 7 9 2296.45 200.575 13 4 7 9 2428.93 205.502 14 4 7 9 1929.95 179.458 1 4 -7 9 2462.64 239.456 2 4 7 9 2221.18 196.807 17 4 7 9 2045.04 180.449 11 4 -7 11 413.706 95.3910 20 4 -7 11 469.285 99.2531 16 4 -7 11 499.201 103.706 2 4 7 11 368.446 82.3697 13 4 7 11 344.813 77.7184 11 4 7 13 399.253 85.2063 17 4 -7 13 476.297 97.6820 16 4 7 13 297.762 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597.520 46.1380 4 7 -3 -24 62.5721 32.9125 8 7 3 -24 26.3900 19.8999 8 -7 3 24 67.0250 32.0169 12 -7 3 24 33.0044 21.7131 4 -7 -3 24 19.3089 18.7905 4 -7 3 24 36.6228 25.1026 19 -7 -3 24 55.3112 25.2748 19 -7 3 22 590.300 76.1980 4 -7 -3 22 704.709 83.1959 4 -7 3 22 703.360 102.864 12 7 -3 -22 728.675 103.071 8 7 3 -22 698.993 94.4325 8 -7 -3 22 752.318 91.9480 19 -7 3 22 809.897 94.2163 19 -7 3 22 682.607 98.8038 20 -7 3 20 516.815 84.3963 4 -7 -3 20 594.282 89.2936 4 -7 -3 20 480.949 74.2353 3 7 -3 -20 581.299 109.322 8 7 3 -20 519.589 95.7940 8 7 -3 -18 2923.58 258.445 8 7 3 -18 3177.20 250.460 8 -7 3 18 2805.94 239.828 12 -7 3 18 2710.41 211.179 4 -7 -3 18 2549.69 202.514 4 -7 -3 18 2668.40 201.652 3 -7 -3 16 107.494 55.6763 3 -7 3 16 32.1016 55.8651 18 -7 -3 16 33.1000 63.0979 18 7 -3 -16 71.7140 68.3522 10 7 -3 -16 267.123 90.8730 8 7 3 -16 15.4979 51.1745 8 -7 3 16 58.5365 53.6684 12 -7 3 16 76.2791 49.4656 4 -7 -3 16 81.7628 53.0289 4 -7 -3 14 6687.86 346.569 3 7 -3 -14 6326.48 392.010 8 7 3 -14 6402.69 372.654 8 7 3 -14 6212.64 517.188 10 7 -3 -14 6425.63 553.036 10 -7 3 14 6438.45 403.536 12 -7 3 14 6977.05 368.922 4 -7 -3 14 6323.33 357.951 4 -7 3 14 6661.74 525.982 18 -7 -3 14 6425.86 527.754 18 -7 -3 12 722.365 115.644 3 7 -3 -12 572.932 167.001 10 7 3 -12 1014.23 206.701 10 7 -3 -12 921.803 147.980 8 7 3 -12 1016.45 146.525 8 -7 3 12 970.981 155.477 12 -7 -3 12 1009.23 181.271 5 -7 3 12 859.277 188.421 18 -7 -3 12 693.299 173.821 18 -7 -3 10 1051.02 131.296 3 7 -3 -10 945.653 144.917 8 7 3 -10 1253.51 155.708 8 7 3 -10 1155.36 210.723 10 7 -3 -10 1160.48 223.736 10 -7 -3 10 938.110 174.633 5 -7 3 10 1119.62 167.534 12 7 -3 -8 4854.33 317.113 8 7 3 -8 4943.30 303.743 8 7 3 -8 4927.84 420.965 10 7 -3 -8 4859.00 441.908 10 -7 3 8 4734.36 333.803 12 -7 -3 8 5231.92 405.272 5 -7 3 6 1245.61 206.724 7 -7 -3 6 709.449 152.708 5 7 -3 -6 1142.57 150.179 8 7 3 -6 1049.05 136.132 8 7 3 -6 967.221 184.990 10 7 -3 -6 1002.46 194.826 10 7 -3 -4 7427.77 386.886 8 7 3 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14 7 3 6 2070.39 197.725 15 7 3 6 2240.48 220.296 13 -7 -3 -6 2000.75 256.067 5 7 3 8 4975.24 445.887 10 7 -3 8 5782.20 497.385 10 7 3 8 5087.67 281.256 11 7 3 8 5352.27 314.777 17 7 -3 8 4283.76 344.906 16 7 3 8 5452.69 352.364 16 7 3 8 4953.73 308.068 6 7 -3 8 5445.97 334.308 6 7 -3 8 5459.10 354.258 8 7 3 8 5066.47 328.815 8 7 3 8 5386.56 327.568 14 7 3 8 5797.59 339.155 15 7 3 8 5168.84 338.438 13 -7 -3 -8 5220.51 419.293 5 7 3 10 7885.59 565.891 10 7 -3 10 9512.89 647.299 10 7 3 10 8578.98 403.160 17 7 -3 10 7401.96 477.250 16 7 -3 10 9033.58 419.482 17 7 3 10 8023.77 428.892 16 7 3 10 8218.40 400.851 6 7 -3 10 8873.90 432.741 6 7 -3 10 8390.47 451.937 8 7 3 10 8126.18 428.463 8 7 -3 10 7274.92 418.843 15 7 3 10 9718.96 447.807 15 7 3 10 8050.04 389.745 14 7 3 10 7649.96 427.944 13 -7 -3 -10 7609.74 488.060 5 7 3 12 5478.81 328.287 15 7 -3 12 5094.90 333.762 15 7 3 12 5483.66 290.257 14 7 3 12 4933.35 304.968 6 7 -3 12 5653.17 335.213 6 7 3 12 5559.49 346.156 13 7 -3 12 4578.09 366.979 16 7 -3 12 5397.25 309.060 17 7 3 14 3030.22 229.702 15 7 -3 14 2520.99 222.585 15 7 3 14 2520.01 200.953 13 7 3 14 2528.41 174.026 14 7 3 14 2611.17 195.046 6 7 -3 14 3123.26 218.963 6 7 -3 14 2306.23 236.620 16 7 -3 14 2656.94 199.329 17 7 3 14 2904.67 233.594 16 7 3 14 2332.23 189.114 17 7 3 16 5326.18 258.667 13 7 3 16 5832.30 296.410 15 7 -3 16 5401.10 298.657 15 7 3 16 5115.09 248.466 6 7 -3 16 5521.54 264.279 6 7 -3 16 5555.99 321.225 16 7 -3 16 6022.43 271.648 17 7 3 16 5852.18 303.368 16 7 3 16 5864.38 278.014 17 7 -3 18 1447.25 131.657 15 7 3 18 1503.47 113.166 13 7 -3 18 1531.04 140.360 16 7 -3 18 1533.26 111.773 17 7 3 18 1874.26 146.680 16 7 3 18 1482.10 119.472 17 7 -3 20 973.052 83.8131 15 7 3 20 994.861 68.6497 13 7 -3 20 1006.25 86.0573 16 7 3 20 1013.61 76.3332 17 -7 4 25 12532.4 273.497 12 7 4 -25 2774.63 111.189 1 -7 -4 23 7903.85 204.399 4 -7 -4 23 7958.24 213.726 19 -7 4 21 23528.6 538.142 4 -7 -4 21 22729.2 536.816 4 -7 -4 21 22745.2 518.822 3 7 -4 -21 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37281.3 918.392 8 7 4 -11 34789.1 1186.31 10 7 -4 -11 33445.0 1202.97 10 -7 4 11 34154.2 1071.18 12 -7 -4 11 35916.3 1181.90 5 -7 -4 9 1941.42 183.935 3 7 4 -9 1930.29 189.861 1 -7 4 9 2328.07 272.498 7 7 4 -9 1913.84 248.353 10 7 -4 -9 1980.67 265.925 10 7 -4 -9 1886.01 187.388 8 7 4 -9 1981.79 178.151 8 -7 4 9 2194.19 242.298 12 -7 -4 9 1864.07 247.028 5 -7 4 7 65964.0 1732.93 7 7 4 -7 66650.5 1329.44 8 7 -4 -7 63154.9 1361.73 8 7 4 -7 59201.9 1602.48 10 7 -4 -7 65526.5 1714.53 10 7 4 -7 61645.2 1350.91 1 -7 -4 7 66135.0 1672.39 5 7 -4 -5 4591.91 283.957 8 7 4 -5 4297.00 258.581 8 -7 4 5 4485.20 412.737 7 7 4 -5 4042.44 348.664 10 7 -4 -5 4415.32 383.999 10 7 4 -5 4119.53 268.340 1 -7 -4 5 4829.10 391.572 5 7 4 -3 81372.3 1944.60 10 7 -4 -3 78787.3 1989.34 10 -7 -4 3 84599.0 2012.17 5 7 -4 -3 85013.2 1663.93 8 7 4 -3 85391.7 1618.41 8 7 4 -3 76978.3 1571.38 6 7 -4 -3 83022.1 1630.80 6 7 4 -1 24728.6 701.387 8 7 4 -1 24526.6 689.593 6 7 -4 -1 25340.9 738.153 8 7 -4 -1 25230.5 721.214 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953.084 5 7 -4 9 11074.0 667.090 10 7 4 9 11634.5 419.993 11 7 4 9 11341.4 465.143 17 7 4 9 11104.0 449.326 6 7 -4 9 12080.9 486.649 6 7 -4 9 12372.4 526.179 8 7 4 9 12068.6 497.554 8 7 4 9 10730.2 459.823 14 7 4 9 10360.3 500.887 13 -7 -4 -9 10130.0 559.324 5 7 -4 11 49546.2 1322.40 15 7 4 11 60275.8 1270.47 14 7 4 11 58107.4 1265.81 6 7 -4 11 67348.6 1352.93 6 7 4 11 63543.4 1408.85 13 7 -4 11 52999.9 1396.94 16 7 -4 11 64318.5 1340.72 17 7 4 11 65252.4 1394.49 16 7 4 11 60766.7 1307.57 17 7 -4 13 8523.19 412.993 15 7 4 13 8956.27 354.455 14 7 4 13 9269.75 400.405 13 7 4 13 8621.78 348.087 6 7 -4 13 9600.67 377.959 6 7 -4 13 7938.15 413.413 16 7 -4 13 9402.28 385.314 17 7 4 13 10145.9 428.780 16 7 4 15 54033.4 1106.05 13 7 4 15 53199.5 1035.67 14 7 -4 15 52411.2 1160.91 15 7 4 15 50274.1 1023.73 6 7 -4 15 56395.7 1077.02 6 7 -4 15 51104.5 1161.57 16 7 -4 15 56374.1 1098.18 17 7 4 15 54577.4 1117.54 17 7 -4 17 86.9324 37.6081 16 7 -4 17 271.881 58.6130 15 7 -4 17 98.3756 34.8768 17 7 4 17 356.002 61.9685 17 7 4 17 64.5477 34.3109 13 7 4 19 34450.6 434.740 13 7 -4 19 31912.4 441.677 15 7 -4 19 31727.2 440.034 16 7 4 19 35610.5 462.134 17 -7 5 24 759.101 68.0124 12 7 5 -24 333.309 37.7029 1 -7 5 22 6196.68 233.606 20 -7 -5 22 167.655 33.3249 3 -7 -5 20 130.348 37.6953 3 -7 -5 20 57.0178 25.9061 4 -7 5 18 17149.4 582.698 12 -7 -5 18 16209.6 436.506 2 -7 -5 18 15470.5 423.370 4 -7 -5 18 15857.1 457.699 3 -7 -5 16 1401.00 135.313 2 -7 5 16 990.734 150.633 12 -7 -5 16 1286.70 121.248 4 -7 -5 16 1215.86 130.431 3 7 -5 -16 1347.12 137.162 8 -7 -5 14 6981.16 354.488 3 -7 5 14 6964.01 414.276 12 -7 -5 14 6977.04 319.516 4 7 -5 -14 6856.56 328.846 8 -7 -5 12 3256.37 244.552 3 7 -5 -12 3487.31 231.949 8 -7 5 12 2833.91 274.463 12 -7 -5 12 3342.99 317.802 5 -7 -5 12 3052.40 207.392 4 7 5 -10 11314.8 471.419 1 -7 5 10 12170.9 640.224 7 7 -5 -10 10859.3 427.642 8 -7 5 10 9782.76 536.600 12 -7 -5 10 11536.0 618.788 5 -7 -5 8 12905.0 658.878 5 -7 5 8 10328.3 560.224 12 7 5 -8 12393.3 486.288 1 -7 -5 8 12545.2 490.430 3 7 -5 -8 11082.4 436.377 8 -7 5 8 12055.2 648.672 7 -7 -5 6 13267.5 666.360 5 7 5 -6 11252.7 435.196 13 -7 -5 6 11750.7 471.497 3 7 5 -6 11918.6 475.285 1 7 -5 -6 11778.0 447.347 8 -7 5 6 13457.3 703.445 7 -7 -5 4 19650.0 825.788 5 7 5 -4 20078.0 627.828 13 -7 -5 4 21189.6 648.904 3 7 5 -4 20229.0 641.354 1 7 -5 -4 21577.0 619.524 6 7 -5 -4 20313.7 615.622 8 -7 5 4 21110.9 924.486 7 7 5 -2 5153.88 301.609 13 7 5 -2 4986.48 288.437 1 -7 -5 2 5171.63 288.700 3 7 -5 -2 5139.50 285.952 8 7 -5 -2 5048.96 274.656 6 -7 -5 0 27169.2 987.617 5 7 -5 0 27654.0 753.074 8 7 -5 0 26183.1 721.544 6 7 5 0 26658.7 780.658 13 -7 -5 0 28875.8 745.688 3 7 5 0 26573.2 740.451 1 -7 -5 -2 1704.76 232.939 5 7 5 2 1834.67 167.480 17 7 -5 2 2343.30 196.477 8 7 -5 2 2488.72 192.679 6 7 5 2 2106.16 200.599 13 -7 -5 -2 1686.10 151.365 3 7 5 2 1880.76 171.158 1 -7 -5 -4 28795.6 1018.41 5 7 5 4 29130.7 790.733 17 7 -5 4 28433.1 757.719 6 7 -5 4 28319.3 793.049 8 7 5 4 28056.6 833.193 14 7 5 4 27539.1 833.247 13 7 5 4 28476.1 755.843 1 7 5 6 2410.62 189.154 1 7 5 6 2256.62 193.909 11 7 5 6 2427.00 204.423 17 7 -5 6 2614.13 202.303 6 7 -5 6 2770.93 221.242 8 7 5 6 2401.97 218.548 14 7 5 6 2442.31 226.157 13 -7 -5 -6 2356.32 268.500 5 7 5 8 16159.3 520.775 11 7 5 8 17201.0 573.673 17 7 -5 8 17634.6 572.805 6 7 -5 8 17571.8 603.984 8 7 5 8 15997.4 568.357 14 7 5 8 16634.9 634.780 13 7 5 8 15948.0 510.085 1 7 5 10 971.767 126.611 17 7 -5 10 1191.58 126.834 6 7 5 10 972.351 123.433 14 7 5 10 1171.89 118.342 11 7 5 10 1341.09 131.246 1 7 -5 12 10911.9 452.939 15 7 5 12 11950.4 420.323 14 7 5 12 11968.7 371.634 11 7 -5 12 12728.6 448.917 17 7 5 12 12143.0 440.655 17 7 5 14 6206.38 282.774 13 7 5 14 6299.67 261.394 14 7 -5 14 5718.61 285.363 15 7 -5 14 6660.66 281.467 17 7 5 16 10490.2 307.219 14 7 -5 16 8963.04 318.807 15 7 5 16 10454.2 332.170 13 7 -5 16 8693.90 294.246 16 7 -5 16 10305.0 311.337 17 7 5 16 9902.55 326.797 17 7 5 18 6904.51 199.351 13 7 5 18 6657.89 197.256 17 7 6 -23 1295.19 72.8214 1 -7 6 23 2606.19 118.437 12 7 6 -21 2066.64 120.301 1 -7 -6 21 2336.98 109.438 3 -7 -6 19 4631.40 192.586 3 7 6 -19 4640.92 217.346 1 -7 6 19 5011.25 258.999 12 -7 -6 17 6904.92 271.174 3 -7 -6 17 6504.74 252.787 2 -7 6 17 6891.34 342.782 12 -7 -6 15 9932.63 370.762 3 -7 -6 15 10063.8 366.528 2 7 6 -15 10182.7 398.526 1 -7 6 15 9814.07 460.366 12 -7 -6 13 6164.88 312.152 3 -7 6 13 5906.48 375.081 12 7 6 -13 6825.67 330.695 1 -7 6 11 9668.63 519.330 12 7 6 -11 12179.9 466.280 1 -7 -6 9 226.182 88.8837 5 -7 6 9 105.540 61.5069 12 -7 -6 9 253.510 73.6889 3 7 6 -9 162.713 60.8741 1 -7 6 9 187.585 84.8703 7 -7 -6 7 9242.97 546.376 5 -7 -6 7 9528.89 422.084 3 7 6 -7 9626.28 411.306 1 -7 6 7 9733.65 576.361 7 -7 -6 5 2737.14 217.685 3 7 6 -5 2665.76 210.222 1 -7 6 5 2702.54 307.184 7 -7 -6 3 32264.6 1097.85 5 -7 6 3 35244.6 1211.10 7 7 6 -3 32571.5 844.008 13 7 6 -3 33244.2 863.722 1 -7 -6 3 36461.6 893.278 3 -7 -6 1 4055.94 357.670 5 7 6 -1 3777.12 264.223 14 -7 6 1 3367.20 356.205 7 7 6 -1 3715.64 250.162 13 -7 -6 1 4429.83 259.006 3 7 6 -1 3745.65 246.151 1 -7 -6 -1 37454.3 1173.72 5 7 6 1 36828.0 952.724 14 7 6 1 36619.0 936.254 13 -7 -6 -1 34949.7 846.259 3 7 6 1 35898.4 892.880 1 7 6 3 1458.63 145.611 17 -7 -6 -3 1615.24 221.819 5 7 6 3 1263.37 159.180 14 7 6 3 1625.85 175.503 13 7 6 3 1513.40 150.009 1 7 6 5 14500.9 494.245 17 7 6 5 14062.7 494.340 11 7 6 5 14215.2 551.471 13 7 6 5 12877.2 462.439 1 7 6 7 8501.38 411.978 13 7 6 7 8801.05 390.459 14 7 6 7 9062.15 364.005 11 7 6 7 9853.34 395.669 17 7 6 7 9262.55 368.650 1 7 6 9 2270.90 181.778 14 7 6 9 2271.28 190.566 13 7 6 9 2342.90 165.505 11 7 6 9 2027.67 168.891 17 7 6 9 2289.52 165.888 1 7 6 11 16654.5 504.814 14 7 6 11 17321.0 530.493 13 7 6 11 16998.2 466.466 11 7 6 11 17676.0 521.554 17 7 6 11 17469.2 495.047 1 7 6 13 817.340 89.9660 14 7 -6 13 772.673 89.6406 17 7 6 13 812.859 95.1998 17 7 6 15 13554.5 365.553 14 7 -6 15 13511.2 357.097 17 7 6 17 1527.61 95.6628 13 7 6 17 1582.67 87.8580 14 7 6 17 1536.47 94.0607 17 7 7 -20 210.349 39.2691 1 -7 7 20 207.637 45.1068 12 -7 -7 18 33028.4 657.090 3 -7 -7 18 33411.0 634.106 2 7 7 -18 33913.0 706.440 1 -7 7 18 33749.5 762.186 12 -7 -7 16 5225.05 218.128 3 -7 -7 16 4996.16 209.326 2 7 7 -16 4951.09 240.812 1 -7 7 16 5159.03 277.014 12 -7 -7 14 21189.2 551.564 3 7 7 -14 22758.1 607.667 1 -7 -7 14 21999.9 558.793 2 -7 7 14 20816.1 667.773 12 -7 -7 12 17765.3 523.443 2 7 7 -12 16819.2 527.194 1 -7 -7 10 23353.8 634.940 3 7 7 -10 24495.2 659.912 1 -7 -7 8 24839.4 671.433 3 7 7 -8 25085.9 676.746 1 7 7 -6 21129.6 609.801 14 -7 -7 6 21709.9 638.887 3 7 7 -6 22029.0 639.012 1 7 7 -4 49479.9 1082.02 14 -7 7 4 47054.7 1395.02 7 -7 -7 4 45929.6 1350.93 5 -7 -7 4 47973.1 1082.57 3 7 7 -4 48724.7 1078.83 1 7 7 -2 7923.84 361.306 14 -7 7 2 8012.40 521.222 7 7 7 -2 7608.71 349.141 1 -7 -7 2 7350.79 332.767 3 7 7 0 50881.3 1130.46 14 7 7 0 49115.8 1103.54 13 7 7 0 48315.4 1078.19 1 7 7 2 235.255 54.7737 17 7 7 2 121.152 50.6138 1 7 7 2 261.146 71.0050 14 7 7 2 271.331 70.5675 13 7 7 2 170.072 59.2522 11 7 7 4 44599.4 1034.93 13 7 7 4 46333.4 1053.29 14 7 7 4 46002.2 1011.36 1 7 7 4 47514.0 992.336 17 7 7 4 48517.1 1038.18 11 7 7 6 5050.29 269.096 13 7 7 6 4851.88 253.583 1 7 7 6 4720.94 248.438 17 7 7 6 5373.62 261.015 11 7 7 8 53142.9 1099.68 13 7 7 8 51360.0 1064.67 1 7 7 8 55371.2 1094.78 17 7 7 8 54418.0 1067.98 11 7 7 10 3641.56 203.033 13 7 7 10 3819.08 207.567 14 7 7 10 3903.13 203.509 1 7 7 10 3861.58 204.196 17 7 7 10 3701.92 190.164 11 7 7 12 32645.8 695.074 14 7 7 12 32379.7 693.632 13 7 7 12 30651.8 670.738 1 7 7 12 32085.6 653.727 11 7 -7 12 32788.9 693.281 17 7 7 12 32086.3 689.359 17 7 -7 14 17048.0 394.170 17 7 7 14 16525.8 410.715 17 7 7 14 17898.3 421.066 13 7 7 14 18427.7 426.034 14 7 7 16 22858.7 458.339 14 7 7 16 24091.0 465.765 13 -7 -8 19 1194.09 66.9715 3 -7 8 19 1254.76 85.2332 12 -7 -8 17 245.616 35.4865 2 7 8 -17 269.355 45.4834 1 -7 -8 17 265.282 39.2584 3 -7 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149.508 5 8 4 -6 61.0305 40.5179 6 8 -4 -6 109.678 50.1922 6 8 -4 -6 113.251 55.8444 8 8 4 -6 52.9296 43.9108 8 8 -4 -6 92.9139 65.3342 10 -8 -4 6 60.4376 53.2206 5 -8 -4 6 186.247 66.7830 3 -8 -4 4 4483.75 270.665 3 8 -4 -4 3971.39 377.161 10 8 4 -4 4204.25 270.468 13 -8 -4 4 4232.20 367.389 5 8 -4 -4 4581.30 286.338 8 8 4 -4 4222.09 260.311 8 8 4 -4 4483.23 264.666 6 8 -4 -4 4195.53 268.800 6 -8 4 4 4826.69 420.385 7 8 -4 -2 226.514 95.0961 10 8 4 -2 295.469 77.5909 13 -8 -4 2 222.547 90.3238 5 8 -4 -2 236.334 73.6512 8 8 4 -2 312.679 76.6857 8 8 4 -2 234.630 65.5486 6 8 -4 -2 263.955 69.9437 6 8 -4 0 652.688 111.887 8 8 4 0 467.561 90.6431 8 8 4 0 613.832 99.7066 6 8 -4 0 506.608 95.8512 6 8 4 0 456.751 98.1071 13 8 -4 0 535.120 142.934 10 8 4 2 4000.29 244.516 17 8 -4 2 4092.43 276.518 8 8 4 2 3886.42 257.296 8 8 4 2 3898.86 246.323 6 8 -4 2 3935.43 261.085 6 8 4 2 3987.66 277.393 13 -8 -4 -2 4306.94 371.188 5 -8 -4 -4 1176.41 191.848 5 -8 4 -4 819.643 191.715 5 8 4 4 1056.67 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248.079 3 8 -5 -3 4861.69 271.610 8 8 -5 -3 4042.93 239.252 6 -8 5 3 4040.48 376.864 7 -8 -5 1 50258.4 1426.99 5 8 -5 -1 52955.4 1156.68 8 8 -5 -1 50789.3 1110.26 6 -8 5 1 51313.5 1538.77 7 -8 -5 1 55051.3 1144.11 3 8 5 -1 51455.1 1172.11 13 8 -5 1 2856.70 212.600 8 8 -5 1 2444.28 185.545 6 8 5 1 2552.75 212.072 13 -8 -5 -1 2573.04 182.649 3 8 5 3 35357.8 925.957 14 8 -5 3 35789.3 848.029 6 8 -5 3 37288.5 902.622 8 8 5 3 34051.5 921.381 13 8 5 3 35413.6 836.482 17 8 5 5 446.011 81.5347 17 8 -5 5 589.050 99.0584 8 8 5 5 782.738 116.521 14 8 5 5 634.400 110.740 13 8 5 5 638.079 95.8090 11 8 5 7 34008.4 816.794 17 8 -5 7 34966.1 861.667 8 8 5 7 34677.6 844.200 14 8 5 7 32735.0 892.789 13 8 5 7 33397.1 770.623 11 8 5 9 5759.86 273.375 14 8 5 9 5488.86 233.192 11 8 -5 9 6406.45 311.783 17 8 5 9 5823.20 276.569 17 8 5 11 26921.1 634.384 14 8 5 11 27164.1 658.829 17 8 5 13 7826.63 281.191 13 8 5 13 7256.05 248.877 14 8 5 13 7601.51 275.468 17 8 5 15 8632.77 245.358 13 8 -5 15 8451.92 235.264 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11503.5 387.634 1 8 6 6 20506.8 609.006 13 8 6 6 21254.7 593.052 14 8 6 6 20811.5 546.432 11 8 6 6 21551.2 565.319 17 8 6 8 7855.39 319.201 13 8 6 8 7910.81 312.718 14 8 6 8 7830.97 281.751 11 8 -6 8 7967.32 343.004 17 8 6 8 8253.56 307.040 17 8 6 10 29385.3 664.114 13 8 6 10 29166.4 650.618 14 8 -6 10 30247.6 687.279 17 8 6 10 28547.4 643.422 17 8 6 12 2619.68 137.060 14 8 6 12 2401.40 138.907 13 8 -6 12 2636.33 144.306 17 8 6 12 2427.55 134.430 17 8 6 14 25366.2 486.437 14 8 -6 14 25691.5 490.051 17 -8 -7 17 36.1650 19.2960 3 -8 -7 17 31.4351 15.8042 2 8 7 -17 9.65367 14.0981 1 -8 7 17 42.6433 24.0672 12 -8 -7 15 1300.94 93.4923 3 -8 -7 15 1375.50 94.3835 2 8 7 -15 1341.78 100.814 1 -8 7 15 1249.51 108.319 12 -8 -7 13 61.7804 30.7986 2 8 7 -13 84.3433 36.7668 1 -8 7 13 71.4035 38.1281 12 -8 -7 11 1547.02 123.272 3 -8 7 11 1542.27 143.079 12 8 7 -11 1856.18 138.424 1 -8 -7 11 1885.25 141.317 2 8 7 -9 21.7693 22.1865 14 8 7 -9 110.697 41.8438 1 -8 -7 9 42.4384 32.8910 3 -8 -7 9 40.8361 34.5980 2 8 7 -7 82.9819 36.9306 14 8 7 -7 158.910 48.2237 1 -8 -7 7 106.412 42.7558 3 8 7 -5 175.361 52.0695 14 -8 -7 5 280.089 60.0755 3 8 7 -5 274.545 61.8785 1 8 7 -3 1530.21 140.445 14 -8 -7 3 1414.57 124.506 3 8 7 -3 1426.52 129.739 1 8 7 -1 315.033 69.8455 14 -8 -7 1 339.376 55.6018 3 8 7 -1 270.092 56.5144 13 8 7 -1 443.651 73.7805 1 8 7 1 472.359 79.4140 11 8 7 1 493.329 77.4248 1 8 7 1 511.060 78.2749 13 8 7 1 604.807 90.1511 14 8 7 3 1167.15 114.182 11 8 7 3 1298.93 115.989 1 -8 -7 -3 1071.61 98.2893 2 8 7 3 1097.26 109.075 13 8 7 3 1124.12 116.322 14 8 7 5 115.528 39.6812 11 8 7 5 66.3795 35.8601 13 8 7 5 74.3968 32.8871 1 8 7 7 705.455 79.6436 13 8 7 7 745.502 77.6224 11 8 7 7 740.800 75.8907 17 8 7 9 83.5957 31.0934 14 8 7 9 54.1658 22.3116 11 8 -7 9 127.193 39.9745 17 8 7 9 35.8005 24.6361 13 8 -7 11 620.802 62.3538 17 8 7 11 549.512 56.2489 13 8 7 11 589.169 60.8380 14 -8 -8 16 9898.28 219.955 2 -8 -8 14 1504.03 86.4129 3 -8 -8 14 1561.00 88.3576 2 8 8 -14 1656.64 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5134.98 165.380 1 -8 -9 9 5627.76 158.826 3 8 9 -9 6078.83 193.118 1 8 9 -7 5488.48 174.971 11 -8 -9 7 5775.48 191.538 2 8 9 -7 5573.55 194.883 1 8 9 -5 8072.93 241.352 11 -8 -9 5 8371.09 245.186 2 8 9 -5 8100.65 251.556 1 8 9 -3 3099.05 141.751 11 -8 -9 3 2812.83 127.874 2 8 9 -3 2954.74 142.989 1 8 9 -1 13103.8 312.931 14 8 9 -1 16416.1 371.962 11 -8 -9 1 13605.1 306.630 2 8 9 -1 16107.1 374.715 1 8 9 1 146.020 28.3373 14 8 9 1 139.544 31.5086 1 8 9 3 13332.2 306.834 14 8 9 3 13714.1 326.727 11 8 9 5 808.860 59.2217 14 8 9 5 622.699 52.9626 1 8 9 5 783.336 60.7036 11 -9 0 21 61.3348 27.4898 4 9 0 -21 74.0873 32.0286 8 -9 0 19 38.8527 31.5788 4 9 0 -19 16.2615 27.9804 8 -9 0 17-3.34017 10.3963 3 -9 0 17 53.2155 39.1208 4 9 0 -17 53.4120 55.6970 8 -9 0 15 29.2043 31.1451 3 -9 0 15 55.6317 45.8170 4 9 0 -15 94.4239 61.2215 8 -9 0 13-4.80799 32.6221 3 9 0 -13 218.713 80.2295 8 -9 0 13 164.336 65.2510 4 9 0 -11-9.37458 43.7679 8 9 0 -9 131.523 71.6490 8 9 0 -7 37.0483 51.9757 8 9 0 -7 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10 2 6 2178.57 130.474 14 10 2 6 2060.24 147.037 6 10 -2 6 2296.46 160.373 6 10 -2 6 2403.31 173.405 8 10 2 6 2373.47 167.351 8 10 2 6 2287.99 166.004 13 10 -2 6 2006.37 150.126 17 10 2 6 1827.25 128.888 17 10 -2 8 13322.4 393.581 17 10 2 8 14057.4 367.894 17 10 2 8 12976.0 372.538 6 10 2 10 1038.76 76.1447 13 10 -2 10 958.806 80.8499 17 10 2 10 898.219 70.6475 17 -10 -3 17 5613.12 161.148 4 -10 -3 17 6210.12 168.109 3 -10 -3 15 4380.22 174.577 3 -10 3 15 4258.09 162.647 4 -10 -3 15 4212.24 163.894 4 -10 3 13 9164.17 282.974 4 -10 -3 13 9152.80 284.440 4 -10 -3 13 9228.11 301.533 3 10 -3 -13 9104.90 321.314 8 10 3 -13 9466.89 305.677 8 10 3 -13 8919.85 293.535 6 10 -3 -13 8053.03 292.300 6 -10 3 11 20667.0 495.222 4 -10 -3 11 18923.2 481.924 4 10 3 -11 16935.0 450.431 13 -10 -3 11 21267.2 526.897 3 10 -3 -11 18303.0 528.799 8 10 3 -11 20421.0 522.921 8 10 3 -11 19114.1 506.089 6 10 -3 -11 18946.6 518.881 6 -10 3 9 9050.41 319.224 4 -10 -3 9 8670.10 312.912 4 10 -3 -9 8458.68 343.209 8 10 3 -9 8822.85 331.115 8 10 3 -9 8238.86 314.784 6 10 -3 -9 8488.43 333.936 6 -10 -3 9 8924.87 332.150 3 10 3 -9 7971.79 308.033 13 10 -3 -7 21333.0 601.109 8 10 3 -7 21090.1 572.664 8 10 3 -7 21120.7 564.741 6 10 -3 -7 21555.2 585.191 6 10 3 -7 20180.7 562.007 13 10 -3 -5 3717.09 227.977 8 10 3 -5 3519.31 211.706 8 10 3 -5 3682.49 210.939 6 10 -3 -5 3480.47 213.662 6 -10 -3 5 4066.56 222.686 3 10 3 -5 3773.77 219.947 13 10 -3 -3 12925.8 458.963 8 10 3 -3 13335.7 429.382 6 10 -3 -3 13774.5 449.694 6 10 3 -3 13332.2 450.616 13 -10 -3 3 14359.5 440.351 3 10 -3 -1 389.021 74.6177 8 10 3 -1 333.293 66.7747 8 10 3 -1 382.884 67.4095 6 10 -3 -1 404.321 72.3015 6 10 3 -1 452.310 81.1523 14 10 3 -1 447.488 80.0799 13 10 -3 -1 361.568 66.0537 13 -10 -3 1 314.499 60.4968 3 10 -3 1 20353.7 594.872 17 10 3 1 22703.2 577.271 6 10 -3 1 24183.6 606.665 6 10 -3 1 23046.0 624.792 8 10 3 1 21113.9 590.662 8 10 3 1 23539.8 614.508 14 10 3 1 20163.5 593.234 13 10 -3 1 24161.6 568.786 13 -10 -3 -1 22312.3 538.036 3 10 3 3 861.064 99.2016 14 10 3 3 825.372 92.2610 6 10 -3 3 904.505 107.125 8 10 3 3 1071.84 110.494 8 10 -3 3 776.121 102.849 17 -10 -3 -3 838.638 76.1134 3 10 3 5 37382.6 748.449 14 10 3 5 35748.9 752.242 6 10 -3 5 38080.0 783.807 6 10 -3 5 38562.6 819.257 8 10 3 5 31843.7 757.557 8 10 3 5 38385.4 824.984 13 10 -3 5 32817.5 784.472 17 10 3 7 4253.83 165.831 14 10 3 7 4243.60 198.930 13 10 -3 7 4061.47 198.516 17 10 3 9 17766.7 382.670 13 10 -3 9 16568.0 388.279 17 -10 -4 16 987.495 61.8560 3 -10 -4 14 293.549 34.4850 4 10 4 -14 203.327 33.6274 14 -10 -4 12 68.8268 32.2808 3 -10 -4 12 72.1949 27.2686 4 10 4 -10 810.034 69.2758 13 -10 -4 10 1072.92 84.9206 4 -10 4 8-2.70879 7.30549 4 -10 -4 8 125.116 37.2887 4 10 4 -8 149.661 39.4843 13 -10 -4 8 137.395 45.5040 3 10 -4 -8 90.3366 35.5667 8 10 -4 -8 149.751 40.2838 6 10 -4 -6 271.895 55.0715 8 10 -4 -6 293.775 53.4271 6 -10 -4 6 360.221 64.3729 3 10 4 -6 438.739 67.0061 13 10 -4 -4 993.064 103.195 8 10 -4 -4 943.259 94.1199 6 10 4 -4 1010.58 103.927 13 -10 -4 4 1046.97 104.459 3 10 -4 -2 740.313 88.6411 8 10 -4 -2 648.809 78.1894 6 10 4 -2 843.910 100.294 14 10 4 -2 835.118 97.2581 13 10 -4 -2 655.272 74.6030 13 -10 -4 2 860.405 90.2557 3 10 -4 0 338.878 64.9519 17 10 -4 0 429.320 62.1264 6 10 -4 0 356.614 65.0525 8 10 4 0 379.282 69.3151 14 10 4 0 342.649 65.5811 13 -10 -4 0 420.002 58.7370 3 10 4 2 1668.81 129.550 14 10 4 2 1755.30 112.471 11 10 -4 2 1318.50 125.918 17 10 4 2 1657.62 135.624 13 10 4 4 195.970 44.5643 14 10 -4 4 126.622 43.1598 17 10 4 4 131.256 45.0106 13 10 -4 6 196.160 45.4183 17 10 4 6 224.091 42.5131 14 10 -4 8 1217.96 88.0773 17 10 4 8 1253.78 71.0364 14 10 4 8 1328.40 87.6813 13 -10 -5 13 9528.31 247.798 3 10 5 -11 6656.79 206.557 14 10 5 -9 5100.35 204.005 14 -10 -5 9 6092.72 223.943 3 10 5 -7 17313.6 453.903 14 -10 -5 7 18517.1 454.846 3 10 5 -5 3855.62 173.368 13 10 5 -5 4483.12 207.649 14 -10 -5 5 4419.46 196.317 3 10 5 -3 12164.2 353.411 13 -10 -5 3 12967.7 353.154 3 10 5 -1 263.731 49.3504 11 10 5 -1 304.227 54.9649 13 -10 -5 1 251.977 40.5410 3 10 5 1 17670.6 435.999 14 10 5 1 16850.8 397.512 11 10 5 1 17026.6 440.439 13 10 -5 3 1345.53 106.471 17 10 5 3 1501.65 105.166 13 10 5 3 1518.80 103.399 14 10 5 5 25434.4 517.778 13 10 5 5 26138.9 512.219 14 -10 -6 10 15263.4 328.137 3 10 6 -8 481.984 47.1387 14 -10 -6 8 748.771 59.4522 3 -10 -6 6 10967.7 308.535 2 10 6 -6 10933.4 291.351 14 -10 -6 6 11804.0 281.300 3 10 6 -4 4026.04 165.594 14 -10 -6 4 3960.13 172.328 2 10 6 -2 9412.05 271.115 14 10 6 -2 9754.06 268.208 11 -10 -6 0 4542.59 155.178 2 10 6 0 7580.28 208.656 11 10 6 2 8958.86 226.314 11 -11 0 13 17.2137 16.5735 4 -11 0 13 4.31255 11.1869 3 11 0 -13 25.9207 17.7627 13 -11 0 11 13.0395 20.0171 3 11 0 -11 33.8636 24.8498 13 -11 0 9 31.4336 25.5500 4 -11 0 9 24.5287 25.0958 3 -11 0 7 42.8119 26.9436 3 11 0 -7 110.656 43.0319 8 11 0 -7 125.338 41.7521 6 11 0 -5 4.55936 26.5502 8 11 0 -5 12.2686 24.6504 6 11 0 -5 58.5432 35.9344 13 -11 0 5 16.1153 25.0808 3 11 0 -3 34.9583 31.9907 13 11 0 -3 73.0109 32.0201 14 11 0 -3 43.4461 27.4936 6 11 0 -3 13.3730 25.0180 8 11 0 -1 111.592 39.2147 13 11 0 -1-2.58767 5.69540 14 11 0 -1 70.7947 29.5675 6 11 0 -1 71.8198 34.7900 8 11 0 1 62.9250 31.7448 13 -11 0 -3 15.2926 15.4235 3 11 0 3 65.5894 29.7266 13 -11 1 12 8965.07 232.947 4 -11 -1 12 7743.97 219.764 3 -11 1 12 5262.81 169.236 3 11 1 -12 5993.92 193.067 13 -11 1 10 7657.87 241.921 4 11 1 -10 7242.25 250.016 13 -11 -1 10 7762.11 244.924 3 -11 1 8 15060.4 388.447 4 11 1 -8 13725.7 403.630 6 -11 -1 8 14579.8 383.564 3 -11 1 8 13023.3 369.688 3 11 1 -8 14227.4 398.260 13 11 -1 -8 13292.6 405.789 13 11 1 -6 1908.98 137.539 13 11 -1 -6 2070.91 146.543 13 11 -1 -6 1885.08 147.562 8 11 1 -6 1706.74 136.982 8 11 1 -6 2013.30 141.692 6 11 -1 -6 2008.10 144.421 6 11 1 -4 17407.5 464.742 14 11 -1 -4 15843.6 484.977 8 11 1 -4 16859.5 488.482 8 11 1 -4 17224.6 473.686 6 11 -1 -4 17354.2 481.061 6 -11 -1 4 17726.3 454.556 3 11 1 -2 2104.26 133.499 14 11 -1 -2 1956.05 146.849 8 11 1 -2 1932.16 142.908 8 11 1 -2 2291.92 147.409 6 11 -1 -2 2356.12 151.693 6 11 1 -2 2135.30 145.254 13 11 -1 -2 2389.87 149.933 13 -11 -1 2 2029.10 131.390 3 11 1 0 16024.0 424.753 13 11 -1 0 15583.8 406.620 13 -11 -1 0 14236.5 368.697 3 11 1 0 14483.3 373.088 14 -11 -1 -2 74.8322 23.1740 3 11 1 2 143.953 38.5075 13 11 -1 2 77.8183 27.5804 13 11 -1 4 12879.5 313.966 13 11 1 4 18457.7 396.857 13 -11 2 11 7594.70 194.651 4 -11 -2 11 8487.06 210.401 4 -11 2 9 1024.75 76.2658 4 -11 -2 9 1035.59 79.3261 4 -11 -2 9 1191.23 90.6076 3 -11 2 9 794.963 68.4234 3 11 2 -9 914.321 79.1562 13 11 -2 -7 9067.30 300.862 13 -11 -2 7 9569.92 277.757 4 11 2 -5 3909.99 188.023 13 -11 -2 5 4159.81 182.727 3 11 2 -5 3538.58 183.203 14 11 2 -3 1889.27 129.046 13 11 -2 -3 1925.90 124.187 13 -11 -2 3 2034.52 125.355 3 11 2 -3 2063.65 131.986 14 11 -2 -1 8521.43 260.838 13 -11 -2 1 7967.80 246.506 3 11 2 -1 8375.30 269.447 14 11 -2 1 4413.03 159.154 13 11 2 1 4582.87 168.100 14 11 2 3 12734.9 341.831 13 -11 -3 10 253.950 38.8561 3 -11 -3 10 212.794 28.9914 4 11 3 -10 162.991 33.1598 14 -11 -3 8 690.234 55.1819 4 11 3 -8 523.793 48.4387 13 11 -3 -8 599.384 60.4930 13 -11 3 6 32.5745 14.5681 4 -11 -3 6 33.0272 17.6084 4 11 3 -6 18.2018 19.0735 13 11 -3 -6 22.9014 21.3892 13 -11 -3 6 25.9932 21.1304 3 11 3 -6 98.8442 30.8361 14 -11 -3 4 1507.45 90.4294 4 11 3 -4 1330.22 100.960 14 -11 -3 4 1519.67 96.8634 3 11 3 -4 1286.95 95.3683 13 11 -3 -4 1277.03 87.0787 13 11 3 -2 718.172 69.8536 14 11 3 -2 586.517 66.1340 13 -11 -3 2 505.342 51.1115 3 11 3 0 1580.04 104.894 13 0 0 0 0.00 0.00 0 TITL joha1503 in I2/a REM I2/a (#15 in standard setting) CELL 1.54184 9.188148 11.067872 25.009691 90.0000 97.9890 90.0000 ZERR 7.00 0.000095 0.000131 0.000258 0.0000 0.0009 0.0000 LATT 2 SYMM -x+1/2, y,-z SFAC C H N O Re UNIT 70.00 70.00 7.00 49.00 7.00 TREF HKLF 4 END ; _shelx_hkl_checksum 80312 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' '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 Re1 Re 0.38657(2) 0.81880(2) 0.63515(2) 0.02115(9) Uani 1 1 d . . . . . O1 O 0.3891(4) 1.0947(3) 0.62927(14) 0.0482(9) Uani 1 1 d . . . . . O2 O 0.6377(4) 0.8547(3) 0.72765(14) 0.0487(9) Uani 1 1 d . . . . . O3 O 0.1719(4) 0.8468(4) 0.71679(15) 0.0500(9) Uani 1 1 d . . . . . O4 O 0.5257(3) 0.7916(3) 0.57204(11) 0.0263(5) Uani 1 1 d . . . . . O5 O 0.0793(3) 0.6641(2) 0.51527(11) 0.0260(6) Uani 1 1 d . . . . . O6 O 0.2150(3) 0.7938(2) 0.56876(11) 0.0245(5) Uani 1 1 d . . . . . N1 N 0.3652(3) 0.6187(3) 0.62495(12) 0.0198(6) Uani 1 1 d . . . . . C1 C 0.3891(5) 0.9918(4) 0.63106(16) 0.0343(10) Uani 1 1 d . . . . . C2 C 0.5457(5) 0.8385(4) 0.69269(17) 0.0324(9) Uani 1 1 d . . . . . H4A H 0.497(6) 0.757(6) 0.545(3) 0.049 Uiso 1 1 d . U . . . H4B H 0.563(7) 0.852(6) 0.559(3) 0.049 Uiso 1 1 d . U . . . H7A H 0.153(6) 0.940(6) 0.541(2) 0.049 Uiso 1 1 d . U . . . H7B H 0.219(9) 1.028(10) 0.515(4) 0.049 Uiso 0.5 1 d D U P A 1 C3 C 0.2543(5) 0.8351(4) 0.68655(17) 0.0317(9) Uani 1 1 d . . . . . C4 C 0.4442(4) 0.5297(3) 0.65253(14) 0.0220(7) Uani 1 1 d . . . . . C5 C 0.4187(4) 0.4086(4) 0.63833(15) 0.0269(8) Uani 1 1 d . . . . . H5 H 0.476280 0.347384 0.657674 0.032 Uiso 1 1 calc R U . . . C6 C 0.3112(4) 0.3769(3) 0.59671(18) 0.0302(8) Uani 1 1 d . . . . . H6 H 0.294176 0.294500 0.587109 0.036 Uiso 1 1 calc R U . . . C7 C 0.2282(4) 0.4682(3) 0.56906(15) 0.0255(7) Uani 1 1 d . . . . . H7 H 0.152328 0.449729 0.540419 0.031 Uiso 1 1 calc R U . . . C8 C 0.2588(4) 0.5858(3) 0.58421(14) 0.0214(7) Uani 1 1 d . . . . . C9 C 0.1761(4) 0.6872(3) 0.55326(14) 0.0212(7) Uani 1 1 d . . . . . C10 C 0.5625(4) 0.5621(4) 0.69765(16) 0.0290(8) Uani 1 1 d . . . . . H10A H 0.636392 0.612534 0.683656 0.044 Uiso 1 1 calc R U . . . H10B H 0.609105 0.488207 0.713387 0.044 Uiso 1 1 calc R U . . . H10C H 0.519524 0.606831 0.725442 0.044 Uiso 1 1 calc R U . . . O7 O 0.1336(3) 1.0127(3) 0.52944(12) 0.0308(6) Uani 1 1 d D . . . . H7C H 0.061(9) 0.993(11) 0.502(4) 0.046 Uiso 0.5 1 d D U P B 2 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 Re1 0.02685(12) 0.01730(12) 0.01759(11) -0.00040(5) -0.00291(7) 0.00171(5) O1 0.068(2) 0.0158(16) 0.054(2) -0.0001(13) -0.0170(18) 0.0031(13) O2 0.054(2) 0.0404(18) 0.0420(18) -0.0083(15) -0.0274(16) 0.0044(16) O3 0.057(2) 0.057(2) 0.0401(19) 0.0000(16) 0.0192(17) 0.0169(18) O4 0.0322(14) 0.0234(13) 0.0227(13) -0.0006(11) 0.0021(11) -0.0048(11) O5 0.0271(13) 0.0256(13) 0.0235(13) 0.0021(10) -0.0029(11) -0.0040(10) O6 0.0288(13) 0.0186(12) 0.0236(12) 0.0023(10) -0.0056(10) 0.0004(10) N1 0.0239(13) 0.0176(15) 0.0176(12) 0.0040(11) 0.0020(10) 0.0007(11) C1 0.041(2) 0.031(2) 0.027(2) -0.0039(15) -0.0087(17) 0.0011(16) C2 0.045(2) 0.0198(18) 0.030(2) -0.0009(15) -0.0023(18) 0.0026(17) C3 0.043(2) 0.0263(19) 0.0240(19) 0.0000(15) -0.0012(17) 0.0070(17) C4 0.0219(16) 0.0226(17) 0.0211(16) 0.0054(13) 0.0017(13) 0.0019(13) C5 0.0310(18) 0.0204(18) 0.0293(19) 0.0091(14) 0.0045(14) 0.0075(15) C6 0.0329(19) 0.0140(17) 0.044(2) 0.0015(15) 0.0051(17) 0.0005(14) C7 0.0290(18) 0.0219(18) 0.0250(17) 0.0019(14) 0.0016(14) -0.0033(14) C8 0.0240(16) 0.0203(17) 0.0198(16) 0.0036(13) 0.0027(13) -0.0014(13) C9 0.0231(17) 0.0223(18) 0.0178(17) -0.0001(12) 0.0014(14) -0.0006(13) C10 0.0303(19) 0.028(2) 0.0267(18) 0.0045(15) -0.0037(15) 0.0034(15) O7 0.0365(15) 0.0231(14) 0.0315(14) 0.0040(11) 0.0006(11) 0.0054(12) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Re Re -5.2083 5.8923 '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 0 0 1 0.0561 0 0 -1 0.0561 -1 -1 0 0.0904 1 1 0 0.0904 0 -1 0 0.0502 0 1 0 0.0502 1 0 0 0.1186 -1 0 0 0.1186 2 0 -5 0.0978 0 1 1 0.0464 0 -1 1 0.0504 -4 5 1 0.0950 4 -5 -1 0.0950 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 O4 Re1 N1 80.33(11) . . ? O6 Re1 O4 82.17(11) . . ? O6 Re1 N1 74.95(10) . . ? C1 Re1 O4 94.96(15) . . ? C1 Re1 O6 95.76(13) . . ? C1 Re1 N1 170.01(14) . . ? C2 Re1 O4 95.53(16) . . ? C2 Re1 O6 177.62(15) . . ? C2 Re1 N1 104.15(14) . . ? C2 Re1 C1 84.99(17) . . ? C3 Re1 O4 175.49(15) . . ? C3 Re1 O6 93.77(15) . . ? C3 Re1 N1 96.75(15) . . ? C3 Re1 C1 87.39(18) . . ? C3 Re1 C2 88.51(19) . . ? Re1 O4 H4A 122(4) . . ? Re1 O4 H4B 119(4) . . ? H4A O4 H4B 99(6) . . ? C9 O6 Re1 119.9(2) . . ? C4 N1 Re1 129.1(2) . . ? C4 N1 C8 117.7(3) . . ? C8 N1 Re1 113.2(2) . . ? O1 C1 Re1 178.9(4) . . ? O2 C2 Re1 177.0(4) . . ? O3 C3 Re1 178.3(4) . . ? N1 C4 C5 120.6(3) . . ? N1 C4 C10 119.4(3) . . ? C5 C4 C10 120.0(3) . . ? C4 C5 H5 119.5 . . ? C6 C5 C4 121.0(3) . . ? C6 C5 H5 119.5 . . ? C5 C6 H6 120.8 . . ? C5 C6 C7 118.4(4) . . ? C7 C6 H6 120.8 . . ? C6 C7 H7 120.8 . . ? C8 C7 C6 118.3(4) . . ? C8 C7 H7 120.8 . . ? N1 C8 C7 124.0(3) . . ? N1 C8 C9 116.3(3) . . ? C7 C8 C9 119.7(3) . . ? O5 C9 O6 124.5(3) . . ? O5 C9 C8 119.9(3) . . ? O6 C9 C8 115.6(3) . . ? C4 C10 H10A 109.5 . . ? C4 C10 H10B 109.5 . . ? C4 C10 H10C 109.5 . . ? H10A C10 H10B 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? H7A O7 H7B 98(8) . . ? H7A O7 H7C 97(8) . . ? 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 Re1 O4 2.185(3) . ? Re1 O6 2.142(3) . ? Re1 N1 2.234(3) . ? Re1 C1 1.918(5) . ? Re1 C2 1.916(4) . ? Re1 C3 1.896(5) . ? O1 C1 1.139(6) . ? O2 C2 1.143(5) . ? O3 C3 1.149(6) . ? O4 H4A 0.80(7) . ? O4 H4B 0.83(7) . ? O5 C9 1.234(5) . ? O6 C9 1.278(4) . ? N1 C4 1.354(5) . ? N1 C8 1.360(5) . ? C4 C5 1.398(5) . ? C4 C10 1.498(5) . ? C5 H5 0.9500 . ? C5 C6 1.377(6) . ? C6 H6 0.9500 . ? C6 C7 1.391(5) . ? C7 H7 0.9500 . ? C7 C8 1.373(5) . ? C8 C9 1.508(5) . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? O7 H7A 0.87(7) . ? O7 H7B 0.92(7) . ? O7 H7C 0.92(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 _geom_hbond_publ_flag O4 H4A O5 0.80(7) 1.87(7) 2.665(4) 174(6) 2_556 yes O4 H4B O7 0.83(7) 1.83(7) 2.665(4) 176(6) 6_675 yes O7 H7A O6 0.87(7) 1.82(7) 2.682(4) 173(6) . yes O7 H7B O7 0.92(7) 1.88(8) 2.760(6) 160(10) 2_556 yes C6 H6 O1 0.95 2.55 3.282(5) 133.8 1_545 yes 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 Re1 O6 C9 O5 -179.5(3) . . . . ? Re1 O6 C9 C8 -0.4(4) . . . . ? Re1 N1 C4 C5 -176.9(3) . . . . ? Re1 N1 C4 C10 1.5(5) . . . . ? Re1 N1 C8 C7 177.8(3) . . . . ? Re1 N1 C8 C9 0.5(4) . . . . ? N1 C4 C5 C6 -1.1(6) . . . . ? N1 C8 C9 O5 179.0(3) . . . . ? N1 C8 C9 O6 -0.1(5) . . . . ? C4 N1 C8 C7 -0.8(5) . . . . ? C4 N1 C8 C9 -178.2(3) . . . . ? C4 C5 C6 C7 -0.1(6) . . . . ? C5 C6 C7 C8 0.8(6) . . . . ? C6 C7 C8 N1 -0.3(6) . . . . ? C6 C7 C8 C9 176.9(3) . . . . ? C7 C8 C9 O5 1.5(5) . . . . ? C7 C8 C9 O6 -177.6(3) . . . . ? C8 N1 C4 C5 1.6(5) . . . . ? C8 N1 C4 C10 179.9(3) . . . . ? C10 C4 C5 C6 -179.5(4) . . . . ?