#------------------------------------------------------------------------------ #$Date: 2024-09-12 01:35:32 +0300 (Thu, 12 Sep 2024) $ #$Revision: 294722 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249329.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_7249329 loop_ _publ_author_name 'Wang, Weizhou' 'Ji, Baoming' _publ_section_title ; The C−I···O halogen bonding in crown ether chemistry ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D4CE00853G _journal_year 2024 _chemical_formula_moiety 'C6 F4 I2, 2(H2 O), C10 H20 O5' _chemical_formula_sum 'C16 H24 F4 I2 O7' _chemical_formula_weight 658.15 _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 _audit_creation_date 2016-09-05 _audit_creation_method ; Olex2 1.2 (compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221) ; _audit_update_record ; 2023-07-17 deposited with the CCDC. 2024-09-11 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 103.285(7) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.4810(5) _cell_length_b 22.1452(19) _cell_length_c 14.6860(11) _cell_measurement_reflns_used 3637 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 23.0270 _cell_measurement_theta_min 3.8870 _cell_volume 2367.9(3) _computing_cell_refinement 'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.41r (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)' _diffrn_ambient_temperature 293(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 8.0584 _diffrn_detector_type EosS2 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.995 _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 -20.00 25.00 1.00 2.00 -- -13.48 -99.00-180.00 45 2 \w -20.00 25.00 1.00 2.00 -- -13.48 -99.00 30.00 45 3 \w -35.00 53.00 1.00 2.00 -- -13.48 77.00 90.00 88 4 \w -8.00 48.00 1.00 2.00 -- -13.48 19.00 60.00 56 5 \w -71.00 -29.00 1.00 2.00 -- -13.48 -77.00 -60.00 42 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Single source at offset, EosS2' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0702349000 _diffrn_orient_matrix_UB_12 -0.0202316000 _diffrn_orient_matrix_UB_13 0.0055833000 _diffrn_orient_matrix_UB_21 -0.0662247000 _diffrn_orient_matrix_UB_22 0.0232033000 _diffrn_orient_matrix_UB_23 -0.0132371000 _diffrn_orient_matrix_UB_31 -0.0131555000 _diffrn_orient_matrix_UB_32 -0.0088361000 _diffrn_orient_matrix_UB_33 -0.0474966000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0468 _diffrn_reflns_av_unetI/netI 0.0603 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 26 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 12945 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.500 _diffrn_reflns_theta_min 3.349 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 2.718 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.39892 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.846 _exptl_crystal_description block _exptl_crystal_F_000 1272 _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.35 _exptl_crystal_size_min 0.29 _refine_diff_density_max 0.953 _refine_diff_density_min -0.673 _refine_diff_density_rms 0.111 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.024 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 262 _refine_ls_number_reflns 4376 _refine_ls_number_restraints 165 _refine_ls_restrained_S_all 1.063 _refine_ls_R_factor_all 0.0865 _refine_ls_R_factor_gt 0.0594 _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^)+(0.0410P)^2^+7.9130P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1128 _refine_ls_wR_factor_ref 0.1279 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3201 _reflns_number_total 4376 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; C5-I13-W.res created by SHELXL-2014/7 TITL C5-I13-W_a.res in P2(1)/c CELL 0.71073 7.481 22.145189 14.685965 90 103.2851 90 ZERR 4 0.000545 0.001859 0.001078 0 0.0073 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H F I O UNIT 64 96 16 8 28 EQIV $1 +X,1.5-Y,0.5+Z DFIX 1.52 0.01 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 DFIX 1.45 O3 C8 O3 C9 O4 C10 O4 C11 O5 C12 O5 C13 DFIX 1.45 O6 C14 O6 C15 O7 C16 O7 C7 SADI C8 C9 C10 C11 C12 C13 C14 C15 C16 C7 SADI C15 O7 C7 O3 C9 O4 C11 O5 C13 O6 SADI O3 C10 O4 C12 O5 C14 O6 C16 O7 C8 DELU O3 C9 C10 O4 C11 C12 O5 C13 C14 O6 C15 C16 O7 C7 C8 SIMU O3 C9 C10 O4 C11 C12 O5 C13 C14 O6 C15 C16 O7 C7 C8 L.S. 10 PLAN 20 SIZE 0.45 0.35 0.29 HTAB O1 O5 HTAB O1 O3 HTAB O2 O4_$1 HTAB O2 O6_$1 FREE C14 C15 FREE C13 C12 BOND $H CONF HTAB MORE -1 fmap 2 acta OMIT -3 51 REM REM REM WGHT 0.041000 7.913000 FVAR 0.34455 F1 3 0.889767 0.888004 0.586952 11.00000 0.07224 0.04928 = 0.09635 -0.00171 0.01673 0.01367 F2 3 0.844586 0.921444 0.408124 11.00000 0.09803 0.08407 = 0.07326 -0.02174 0.03250 0.00713 F3 3 0.722254 1.033271 0.352906 11.00000 0.09325 0.08581 = 0.04841 0.00586 0.01371 0.00121 F4 3 0.669655 1.076914 0.658648 11.00000 0.09393 0.05591 = 0.05710 -0.00494 0.01913 0.00961 I1 4 0.797134 0.953456 0.764808 11.00000 0.06171 0.06153 = 0.05830 0.01067 0.01073 0.00273 I2 4 0.605423 1.145917 0.464942 11.00000 0.05678 0.04966 = 0.07215 0.01115 0.00665 -0.00715 O1 5 0.495903 0.729504 0.574983 11.00000 0.11211 0.05850 = 0.09347 -0.00226 0.01496 0.01850 AFIX 3 H1A 2 0.420103 0.715924 0.527123 11.00000 -1.50000 H1B 2 0.571093 0.700214 0.586983 11.00000 -1.50000 AFIX 0 O2 5 0.801212 0.910017 0.947444 11.00000 0.12153 0.08789 = 0.08045 0.03350 0.05166 0.01591 AFIX 3 H2A 2 0.719492 0.913537 0.978844 11.00000 -1.50000 H2B 2 0.840812 0.874737 0.964004 11.00000 -1.50000 AFIX 0 O3 5 0.342704 0.646438 0.420269 11.00000 0.16606 0.17674 = 0.15280 -0.06967 -0.01380 0.02331 O4 5 0.556449 0.578862 0.568514 11.00000 0.18253 0.10645 = 0.18429 -0.00587 0.10158 0.00629 O5 5 0.824221 0.660738 0.654902 11.00000 0.16057 0.17836 = 0.12298 -0.00972 0.02268 0.07083 O6 5 0.912876 0.715991 0.501965 11.00000 0.20763 0.25996 = 0.26102 -0.00615 0.04903 -0.11824 O7 5 0.615877 0.711295 0.356361 11.00000 0.25492 0.17047 = 0.19451 0.04854 0.01530 0.02433 C1 1 0.821551 0.943107 0.561404 11.00000 0.03633 0.04766 = 0.07629 0.00289 0.01092 0.00299 C2 1 0.799420 0.960541 0.469877 11.00000 0.04792 0.06123 = 0.05450 -0.00766 0.01638 -0.00137 C3 1 0.737983 1.017088 0.442906 11.00000 0.04471 0.06101 = 0.05149 -0.00295 0.01104 -0.01002 C4 1 0.693444 1.058043 0.505256 11.00000 0.03953 0.04790 = 0.05732 0.00425 0.00527 -0.00066 C5 1 0.714228 1.038526 0.595943 11.00000 0.04183 0.04569 = 0.05764 -0.01465 0.01037 -0.00853 C6 1 0.777040 0.982178 0.627139 11.00000 0.04574 0.05134 = 0.04824 0.00705 0.01217 -0.00456 C7 1 0.426455 0.715894 0.321128 11.00000 0.24503 0.18048 = 0.11480 -0.02350 -0.04050 0.08371 AFIX 23 H7A 2 0.400576 0.729184 0.256485 11.00000 -1.20000 H7B 2 0.375111 0.745191 0.357105 11.00000 -1.20000 AFIX 0 C8 1 0.341392 0.654386 0.327640 11.00000 0.19137 0.20653 = 0.12134 -0.07045 -0.04614 0.06062 AFIX 23 H8A 2 0.216739 0.653139 0.289812 11.00000 -1.20000 H8B 2 0.412621 0.623084 0.306184 11.00000 -1.20000 AFIX 0 C9 1 0.313188 0.585889 0.441813 11.00000 0.13058 0.15541 = 0.24103 -0.10540 0.07080 -0.03380 AFIX 23 H9A 2 0.385147 0.559411 0.411562 11.00000 -1.20000 H9B 2 0.184521 0.575654 0.419310 11.00000 -1.20000 AFIX 0 C10 1 0.369827 0.577647 0.547610 11.00000 0.16773 0.12452 = 0.25590 -0.04906 0.13690 -0.03673 AFIX 23 H10A 2 0.321425 0.610045 0.579362 11.00000 -1.20000 H10B 2 0.325393 0.539410 0.565921 11.00000 -1.20000 AFIX 0 C11 1 0.628292 0.583765 0.666818 11.00000 0.25879 0.14972 = 0.13344 0.05417 0.11217 0.08691 AFIX 23 H11A 2 0.617033 0.545452 0.697021 11.00000 -1.20000 H11B 2 0.560931 0.614078 0.692963 11.00000 -1.20000 AFIX 0 C12 1 0.828472 0.601578 0.682598 11.00000 0.25337 0.17982 = 0.06912 0.01971 0.05657 0.09141 AFIX 23 H12A 2 0.890178 0.597511 0.748037 11.00000 -1.20000 H12B 2 0.891291 0.576732 0.645354 11.00000 -1.20000 AFIX 0 C13 1 1.005706 0.677242 0.648477 11.00000 0.09018 0.19022 = 0.24873 -0.06411 -0.01305 0.05603 AFIX 23 H13A 2 1.062601 0.644092 0.622454 11.00000 -1.20000 H13B 2 1.080237 0.686313 0.710212 11.00000 -1.20000 AFIX 0 C14 1 0.993199 0.731985 0.586317 11.00000 0.07230 0.22220 = 0.29900 -0.03837 -0.00685 -0.01984 AFIX 23 H14A 2 0.923104 0.763531 0.607980 11.00000 -1.20000 H14B 2 1.115136 0.747421 0.587694 11.00000 -1.20000 AFIX 0 C15 1 0.898425 0.751658 0.428410 11.00000 0.25095 0.13702 = 0.30170 0.00627 0.14400 -0.04476 AFIX 23 H15A 2 0.974723 0.735379 0.389080 11.00000 -1.20000 H15B 2 0.947255 0.791025 0.450021 11.00000 -1.20000 AFIX 0 C16 1 0.709581 0.759836 0.370303 11.00000 0.27926 0.15078 = 0.30749 0.07213 0.14074 -0.00741 AFIX 23 H16A 2 0.645544 0.788883 0.400704 11.00000 -1.20000 H16B 2 0.717257 0.776580 0.310287 11.00000 -1.20000 AFIX 0 HKLF 4 REM C5-I13-W_a.res in P2(1)/c REM R1 = 0.0594 for 3201 Fo > 4sig(Fo) and 0.0865 for all 4376 data REM 262 parameters refined using 165 restraints END WGHT 0.0360 8.1786 REM Instructions for potential hydrogen bonds HTAB O1 O3 HTAB O1 O5 HTAB O2 O4_$1 HTAB O2 O6_$1 EQIV $2 x-1, -y+3/2, z-1/2 HTAB C9 I1_$2 HTAB C12 F2_$1 REM Highest difference peak 0.953, deepest hole -0.673, 1-sigma level 0.111 Q1 1 0.9477 0.6795 0.5629 11.00000 0.05 0.95 Q2 1 0.7827 0.7299 0.3565 11.00000 0.05 0.77 Q3 1 0.7040 0.6216 0.6483 11.00000 0.05 0.77 Q4 1 0.8545 0.7588 0.5322 11.00000 0.05 0.77 Q5 1 0.4578 0.5928 0.4930 11.00000 0.05 0.74 Q6 1 0.9910 0.6873 0.6630 11.00000 0.05 0.63 Q7 1 0.6623 0.5719 0.6618 11.00000 0.05 0.63 Q8 1 0.4353 0.6772 0.3673 11.00000 0.05 0.51 Q9 1 0.2918 0.5931 0.4558 11.00000 0.05 0.51 Q10 1 0.8576 0.7684 0.4454 11.00000 0.05 0.50 Q11 1 0.7432 0.7395 0.4288 11.00000 0.05 0.49 Q12 1 0.9385 0.6322 0.6715 11.00000 0.05 0.48 Q13 1 0.5201 0.7467 0.3644 11.00000 0.05 0.48 Q14 1 0.8787 0.9935 0.7419 11.00000 0.05 0.40 Q15 1 0.4605 0.5772 0.6060 11.00000 0.05 0.39 Q16 1 0.3310 0.5921 0.3859 11.00000 0.05 0.39 Q17 1 0.7582 0.8370 0.6776 11.00000 0.05 0.36 Q18 1 0.8070 1.0313 0.8008 11.00000 0.05 0.35 Q19 1 0.9447 0.7286 0.7003 11.00000 0.05 0.35 Q20 1 0.9863 0.7305 0.6968 11.00000 0.05 0.35 REM The information below was added by Olex2. REM REM R1 = 0.0594 for 3201 Fo > 4sig(Fo) and 0.0865 for all 14057 data REM n/a parameters refined using n/a restraints REM Highest difference peak 0.95, deepest hole -0.67 REM Mean Shift 0, Max Shift -0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0865 REM R1_gt = 0.0594 REM wR_ref = 0.1279 REM GOOF = 1.024 REM Shift_max = -0.001 REM Shift_mean = 0 REM Reflections_all = 14057 REM Reflections_gt = 3201 REM Parameters = n/a REM Hole = -0.67 REM Peak = 0.95 REM Flack = n/a ; _cod_data_source_file d4ce00853g2.cif _cod_data_source_block C5-I13-W _cod_database_code 7249329 _chemical_oxdiff_formula 'c h n o' _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 0.506 _shelx_estimated_absorpt_t_min 0.374 _reflns_odcompleteness_completeness 99.68 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 25.13 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups At 1.5 times of: All O(H,H) groups 2. Restrained distances C7-C8 = C9-C10 = C11-C12 = C13-C14 = C15-C16 1.52 with sigma of 0.01 O3-C8 = O3-C9 = O4-C10 = O4-C11 = O5-C12 = O5-C13 1.45 with sigma of 0.02 O6-C14 = O6-C15 = O7-C16 = O7-C7 1.45 with sigma of 0.02 C8-C9 \\sim C10-C11 \\sim C12-C13 \\sim C14-C15 \\sim C16-C7 with sigma of 0.02 C15-O7 \\sim C7-O3 \\sim C9-O4 \\sim C11-O5 \\sim C13-O6 with sigma of 0.02 O3-C10 \\sim O4-C12 \\sim O5-C14 \\sim O6-C16 \\sim O7-C8 with sigma of 0.02 3. Rigid bond restraints O3, C9, C10, O4, C11, C12, O5, C13, C14, O6, C15, C16, O7, C7, C8 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 4. Uiso/Uaniso restraints and constraints O3 \\sim C9 \\sim C10 \\sim O4 \\sim C11 \\sim C12 \\sim O5 \\sim C13 \\sim C14 \\sim O6 \\sim C15 \\sim C16 \\sim O7 \\sim C7 \\sim C8: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 5.a Riding coordinates: O1(H1A,H1B), O2(H2A,H2B) 5.b Secondary CH2 refined with riding coordinates: C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B) ; _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 3.180 _oxdiff_exptl_absorpt_empirical_full_min 0.572 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 F1 F 0.8898(7) 0.8880(2) 0.5870(4) 0.0731(14) Uani 1 1 d . . . . . F2 F 0.8446(7) 0.9214(3) 0.4081(4) 0.0830(16) Uani 1 1 d . . . . . F3 F 0.7223(7) 1.0333(2) 0.3529(3) 0.0762(15) Uani 1 1 d . . . . . F4 F 0.6697(7) 1.0769(2) 0.6586(3) 0.0687(13) Uani 1 1 d . . . . . I1 I 0.79713(8) 0.95346(3) 0.76481(4) 0.0610(2) Uani 1 1 d . . . . . I2 I 0.60542(7) 1.14592(3) 0.46494(4) 0.0609(2) Uani 1 1 d . . . . . O1 O 0.4959(10) 0.7295(3) 0.5750(5) 0.089(2) Uani 1 1 d . . . . . H1A H 0.4201 0.7159 0.5271 0.134 Uiso 1 1 d R . . . . H1B H 0.5711 0.7002 0.5870 0.134 Uiso 1 1 d R . . . . O2 O 0.8012(10) 0.9100(3) 0.9474(4) 0.092(2) Uani 1 1 d . . . . . H2A H 0.7195 0.9135 0.9788 0.138 Uiso 1 1 d R . . . . H2B H 0.8408 0.8747 0.9640 0.138 Uiso 1 1 d R . . . . O3 O 0.3427(16) 0.6464(5) 0.4203(7) 0.173(4) Uani 1 1 d D U . . . O4 O 0.5564(13) 0.5789(5) 0.5685(7) 0.148(3) Uani 1 1 d D U . . . O5 O 0.8242(14) 0.6607(5) 0.6549(7) 0.156(4) Uani 1 1 d D U . . . O6 O 0.9129(19) 0.7160(7) 0.5020(10) 0.244(7) Uani 1 1 d D U . . . O7 O 0.6159(18) 0.7113(6) 0.3564(10) 0.213(5) Uani 1 1 d D U . . . C1 C 0.8216(10) 0.9431(4) 0.5614(6) 0.054(2) Uani 1 1 d . . . . . C2 C 0.7994(11) 0.9605(4) 0.4699(6) 0.054(2) Uani 1 1 d . . . . . C3 C 0.7380(10) 1.0171(4) 0.4429(6) 0.052(2) Uani 1 1 d . . . . . C4 C 0.6934(10) 1.0580(4) 0.5053(5) 0.0492(19) Uani 1 1 d . . . . . C5 C 0.7142(10) 1.0385(4) 0.5959(6) 0.0486(19) Uani 1 1 d . . . . . C6 C 0.7770(10) 0.9822(4) 0.6271(5) 0.0482(19) Uani 1 1 d . . . . . C7 C 0.426(2) 0.7159(7) 0.3211(11) 0.193(6) Uani 1 1 d D U . . . H7A H 0.4006 0.7292 0.2565 0.232 Uiso 1 1 calc R . . . . H7B H 0.3751 0.7452 0.3571 0.232 Uiso 1 1 calc R . . . . C8 C 0.341(2) 0.6544(7) 0.3276(9) 0.186(6) Uani 1 1 d D U . . . H8A H 0.2167 0.6531 0.2898 0.224 Uiso 1 1 calc R . . . . H8B H 0.4126 0.6231 0.3062 0.224 Uiso 1 1 calc R . . . . C9 C 0.313(2) 0.5859(7) 0.4418(9) 0.171(5) Uani 1 1 d D U . . . H9A H 0.3851 0.5594 0.4116 0.205 Uiso 1 1 calc R . . . . H9B H 0.1845 0.5757 0.4193 0.205 Uiso 1 1 calc R . . . . C10 C 0.3698(18) 0.5776(7) 0.5476(9) 0.168(5) Uani 1 1 d D U . . . H10A H 0.3214 0.6100 0.5794 0.202 Uiso 1 1 calc R . . . . H10B H 0.3254 0.5394 0.5659 0.202 Uiso 1 1 calc R . . . . C11 C 0.6283(18) 0.5838(7) 0.6668(9) 0.170(5) Uani 1 1 d D U . . . H11A H 0.6170 0.5455 0.6970 0.204 Uiso 1 1 calc R . . . . H11B H 0.5609 0.6141 0.6930 0.204 Uiso 1 1 calc R . . . . C12 C 0.8285(18) 0.6016(7) 0.6826(8) 0.164(5) Uani 1 1 d D U . . . H12A H 0.8902 0.5975 0.7480 0.197 Uiso 1 1 calc R . . . . H12B H 0.8913 0.5767 0.6454 0.197 Uiso 1 1 calc R . . . . C13 C 1.0057(18) 0.6772(7) 0.6485(11) 0.185(6) Uani 1 1 d D U . . . H13A H 1.0626 0.6441 0.6225 0.222 Uiso 1 1 calc R . . . . H13B H 1.0802 0.6863 0.7102 0.222 Uiso 1 1 calc R . . . . C14 C 0.993(2) 0.7320(8) 0.5863(11) 0.206(7) Uani 1 1 d D U . . . H14A H 0.9231 0.7635 0.6080 0.247 Uiso 1 1 calc R . . . . H14B H 1.1151 0.7474 0.5877 0.247 Uiso 1 1 calc R . . . . C15 C 0.898(2) 0.7517(9) 0.4284(12) 0.217(7) Uani 1 1 d D U . . . H15A H 0.9747 0.7354 0.3891 0.260 Uiso 1 1 calc R . . . . H15B H 0.9473 0.7910 0.4500 0.260 Uiso 1 1 calc R . . . . C16 C 0.710(2) 0.7598(9) 0.3703(15) 0.234(8) Uani 1 1 d D U . . . H16A H 0.6455 0.7889 0.4007 0.281 Uiso 1 1 calc R . . . . H16B H 0.7173 0.7766 0.3103 0.281 Uiso 1 1 calc R . . . . 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 F1 0.072(3) 0.049(3) 0.096(4) -0.002(3) 0.017(3) 0.014(3) F2 0.098(4) 0.084(4) 0.073(3) -0.022(3) 0.032(3) 0.007(3) F3 0.093(4) 0.086(4) 0.048(3) 0.006(3) 0.014(2) 0.001(3) F4 0.094(4) 0.056(3) 0.057(3) -0.005(3) 0.019(3) 0.010(3) I1 0.0617(4) 0.0615(4) 0.0583(3) 0.0107(3) 0.0107(3) 0.0027(3) I2 0.0568(4) 0.0497(4) 0.0722(4) 0.0112(3) 0.0067(3) -0.0072(3) O1 0.112(5) 0.059(4) 0.093(5) -0.002(4) 0.015(4) 0.018(4) O2 0.122(6) 0.088(5) 0.080(4) 0.034(4) 0.052(4) 0.016(4) O3 0.166(9) 0.177(9) 0.153(7) -0.070(7) -0.014(7) 0.023(8) O4 0.183(8) 0.106(7) 0.184(7) -0.006(7) 0.102(7) 0.006(7) O5 0.161(7) 0.178(9) 0.123(7) -0.010(7) 0.023(6) 0.071(7) O6 0.208(12) 0.260(17) 0.261(14) -0.006(11) 0.049(11) -0.118(11) O7 0.255(12) 0.170(12) 0.195(11) 0.049(10) 0.015(11) 0.024(10) C1 0.036(4) 0.048(5) 0.076(6) 0.003(5) 0.011(4) 0.003(4) C2 0.048(5) 0.061(6) 0.054(5) -0.008(5) 0.016(4) -0.001(4) C3 0.045(4) 0.061(6) 0.051(5) -0.003(4) 0.011(4) -0.010(4) C4 0.040(4) 0.048(5) 0.057(5) 0.004(4) 0.005(4) -0.001(4) C5 0.042(4) 0.046(5) 0.058(5) -0.015(4) 0.010(4) -0.009(4) C6 0.046(4) 0.051(5) 0.048(4) 0.007(4) 0.012(3) -0.005(4) C7 0.245(14) 0.180(14) 0.115(10) -0.023(10) -0.041(11) 0.084(12) C8 0.191(13) 0.207(14) 0.121(8) -0.070(10) -0.046(10) 0.061(10) C9 0.131(10) 0.155(11) 0.241(11) -0.105(11) 0.071(9) -0.034(11) C10 0.168(9) 0.125(11) 0.256(11) -0.049(10) 0.137(10) -0.037(11) C11 0.259(12) 0.150(12) 0.133(8) 0.054(10) 0.112(9) 0.087(10) C12 0.253(12) 0.180(12) 0.069(7) 0.020(9) 0.057(8) 0.091(11) C13 0.090(8) 0.190(14) 0.249(14) -0.064(10) -0.013(10) 0.056(9) C14 0.072(9) 0.222(18) 0.299(16) -0.038(13) -0.007(11) -0.020(11) C15 0.251(15) 0.137(16) 0.302(17) 0.006(13) 0.144(13) -0.045(14) C16 0.279(17) 0.151(16) 0.307(19) 0.072(16) 0.141(13) -0.007(14) 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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 '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_ _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 H1A O1 H1B 100.7 . . ? H2A O2 H2B 100.1 . . ? C8 O3 C9 112.3(9) . . ? C10 O4 C11 111.1(8) . . ? C12 O5 C13 107.8(9) . . ? C14 O6 C15 123.4(14) . . ? C16 O7 C7 118.2(13) . . ? F1 C1 C2 118.8(8) . . ? F1 C1 C6 120.5(8) . . ? C2 C1 C6 120.7(8) . . ? F2 C2 C1 119.0(8) . . ? F2 C2 C3 120.9(8) . . ? C3 C2 C1 120.1(8) . . ? F3 C3 C2 118.5(8) . . ? F3 C3 C4 119.7(8) . . ? C2 C3 C4 121.8(8) . . ? C3 C4 I2 122.0(6) . . ? C5 C4 I2 121.6(6) . . ? C5 C4 C3 116.4(7) . . ? F4 C5 C4 118.2(7) . . ? F4 C5 C6 117.6(7) . . ? C6 C5 C4 124.2(7) . . ? C1 C6 I1 120.4(6) . . ? C5 C6 I1 122.8(6) . . ? C5 C6 C1 116.8(7) . . ? O7 C7 H7A 110.0 . . ? O7 C7 H7B 110.0 . . ? O7 C7 C8 108.4(12) . . ? H7A C7 H7B 108.4 . . ? C8 C7 H7A 110.0 . . ? C8 C7 H7B 110.0 . . ? O3 C8 C7 105.7(11) . . ? O3 C8 H8A 110.6 . . ? O3 C8 H8B 110.6 . . ? C7 C8 H8A 110.6 . . ? C7 C8 H8B 110.6 . . ? H8A C8 H8B 108.7 . . ? O3 C9 H9A 109.9 . . ? O3 C9 H9B 109.9 . . ? O3 C9 C10 108.8(11) . . ? H9A C9 H9B 108.3 . . ? C10 C9 H9A 109.9 . . ? C10 C9 H9B 109.9 . . ? O4 C10 C9 105.0(10) . . ? O4 C10 H10A 110.8 . . ? O4 C10 H10B 110.8 . . ? C9 C10 H10A 110.8 . . ? C9 C10 H10B 110.8 . . ? H10A C10 H10B 108.8 . . ? O4 C11 H11A 110.2 . . ? O4 C11 H11B 110.2 . . ? O4 C11 C12 107.7(10) . . ? H11A C11 H11B 108.5 . . ? C12 C11 H11A 110.2 . . ? C12 C11 H11B 110.2 . . ? O5 C12 C11 104.4(11) . . ? O5 C12 H12A 110.9 . . ? O5 C12 H12B 110.9 . . ? C11 C12 H12A 110.9 . . ? C11 C12 H12B 110.9 . . ? H12A C12 H12B 108.9 . . ? O5 C13 H13A 110.0 . . ? O5 C13 H13B 110.0 . . ? O5 C13 C14 108.5(10) . . ? H13A C13 H13B 108.4 . . ? C14 C13 H13A 110.0 . . ? C14 C13 H13B 110.0 . . ? O6 C14 C13 108.0(14) . . ? O6 C14 H14A 110.1 . . ? O6 C14 H14B 110.1 . . ? C13 C14 H14A 110.1 . . ? C13 C14 H14B 110.1 . . ? H14A C14 H14B 108.4 . . ? O6 C15 H15A 108.4 . . ? O6 C15 H15B 108.4 . . ? O6 C15 C16 115.5(13) . . ? H15A C15 H15B 107.5 . . ? C16 C15 H15A 108.4 . . ? C16 C15 H15B 108.4 . . ? O7 C16 C15 113.9(15) . . ? O7 C16 H16A 108.8 . . ? O7 C16 H16B 108.8 . . ? C15 C16 H16A 108.8 . . ? C15 C16 H16B 108.8 . . ? H16A C16 H16B 107.7 . . ? 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 F1 C1 1.342(9) . ? F2 C2 1.352(9) . ? F3 C3 1.348(9) . ? F4 C5 1.350(8) . ? I1 C6 2.092(7) . ? I2 C4 2.096(8) . ? O1 H1A 0.8502 . ? O1 H1B 0.8501 . ? O2 H2A 0.8497 . ? O2 H2B 0.8510 . ? O3 C8 1.369(12) . ? O3 C9 1.407(13) . ? O4 C10 1.359(12) . ? O4 C11 1.424(12) . ? O5 C12 1.370(12) . ? O5 C13 1.430(12) . ? O6 C14 1.296(14) . ? O6 C15 1.322(13) . ? O7 C7 1.396(14) . ? O7 C16 1.274(14) . ? C1 C2 1.371(11) . ? C1 C6 1.393(11) . ? C2 C3 1.361(11) . ? C3 C4 1.383(11) . ? C4 C5 1.375(11) . ? C5 C6 1.374(10) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 C8 1.516(9) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C9 C10 1.525(9) . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C11 C12 1.514(9) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C13 C14 1.508(9) . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C15 C16 1.484(9) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? 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 O1 H1A O3 0.85 2.18 2.943(12) 149.5 . O1 H1B O5 0.85 2.12 2.899(12) 153.0 . O2 H2A O4 0.85 2.00 2.841(11) 172.0 4_576 O2 H2B O6 0.85 2.12 2.970(17) 174.5 4_576 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 F1 C1 C2 F2 0.9(11) . . . . ? F1 C1 C2 C3 -177.2(7) . . . . ? F1 C1 C6 I1 -4.6(10) . . . . ? F1 C1 C6 C5 177.7(7) . . . . ? F2 C2 C3 F3 0.3(12) . . . . ? F2 C2 C3 C4 -179.1(7) . . . . ? F3 C3 C4 I2 -1.0(10) . . . . ? F3 C3 C4 C5 -179.5(7) . . . . ? F4 C5 C6 I1 2.1(10) . . . . ? F4 C5 C6 C1 179.7(6) . . . . ? I2 C4 C5 F4 2.4(9) . . . . ? I2 C4 C5 C6 -177.8(6) . . . . ? O3 C9 C10 O4 -73.6(15) . . . . ? O4 C11 C12 O5 72.2(14) . . . . ? O5 C13 C14 O6 -67.6(19) . . . . ? O6 C15 C16 O7 -42(3) . . . . ? O7 C7 C8 O3 74.9(18) . . . . ? C1 C2 C3 F3 178.3(7) . . . . ? C1 C2 C3 C4 -1.1(12) . . . . ? C2 C1 C6 I1 176.5(6) . . . . ? C2 C1 C6 C5 -1.2(11) . . . . ? C2 C3 C4 I2 178.4(6) . . . . ? C2 C3 C4 C5 -0.1(11) . . . . ? C3 C4 C5 F4 -179.1(6) . . . . ? C3 C4 C5 C6 0.7(11) . . . . ? C4 C5 C6 I1 -177.7(6) . . . . ? C4 C5 C6 C1 0.0(11) . . . . ? C6 C1 C2 F2 179.8(7) . . . . ? C6 C1 C2 C3 1.7(12) . . . . ? C7 O7 C16 C15 165.9(16) . . . . ? C8 O3 C9 C10 164.1(12) . . . . ? C9 O3 C8 C7 -164.4(12) . . . . ? C10 O4 C11 C12 -165.1(12) . . . . ? C11 O4 C10 C9 168.3(11) . . . . ? C12 O5 C13 C14 159.5(12) . . . . ? C13 O5 C12 C11 -167.7(11) . . . . ? C14 O6 C15 C16 -127(2) . . . . ? C15 O6 C14 C13 -172.3(17) . . . . ? C16 O7 C7 C8 -169.5(18) . . . . ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 0 3 1.06 1.42 0 0 3 6.1 3.01 0 0 -3 2.15 1.65 0 0 4 1481 48 0 0 -4 1332.1 46.63 0 0 4 1404.2 43.51 0 0 5 1.79 1.26 0 0 -5 -1.81 3.02 0 0 6 936.97 46.63 0 0 -6 865.95 47.82 0 0 7 6.58 6.45 0 0 -7 0.01 3.74 0 0 7 6.95 4.97 0 0 -8 34.22 11.17 0 0 8 25.57 7.79 0 0 8 33.58 9.71 0 0 9 0.56 5.27 0 0 -9 -0.35 4.9 0 0 9 -12.36 6.09 0 0 -10 1424.26 83.47 0 0 10 1459.36 76.65 0 0 11 -5.51 7.4 0 0 -11 -4.99 6.3 0 0 -12 2.38 9.28 0 0 12 -2.14 4.89 0 0 -13 -1.59 6.48 0 0 13 -2.91 8.58 0 0 14 145.24 29.74 0 0 -14 147.56 33.24 0 0 15 6.34 9.97 0 0 -15 -5.19 10.2 0 0 16 50.67 30.79 0 0 16 32.14 17.24 0 0 17 4.81 12.62 0 0 17 41.87 30.75 0 0 18 10.6 11.8 0 1 3 2318.68 54.12 0 -1 3 2294.83 45.36 0 1 -3 2394.34 47.7 0 -1 3 2311.55 51.15 0 -1 -3 2403.55 57.33 0 1 -3 2342.68 51.56 0 -1 4 2288.97 52.57 0 -1 -4 2329.95 65.03 0 1 4 2154.37 58.48 0 1 -4 2217.01 58.56 0 1 -4 2221.14 55.2 0 -1 4 2219.45 57.98 0 1 5 688.31 37.81 0 -1 5 622.59 34.5 0 1 5 663.72 35.05 0 1 -5 649.26 34.77 0 -1 5 660.27 31.49 0 1 -5 632.41 35.31 0 -1 -5 694.75 39.93 0 1 6 723.82 39.54 0 -1 6 816.98 43.26 0 1 -6 713.88 41.23 0 1 -6 793.29 44.01 0 -1 6 725.83 36.56 0 -1 -6 838.14 48.23 0 1 6 869.34 46.64 0 1 7 1034.23 51.11 0 -1 7 1088.41 48.42 0 1 -7 1131.75 57.27 0 -1 7 1134.64 56.13 0 1 7 1090.31 55.8 0 -1 -7 1118.92 60.48 0 -1 -8 801.47 54.96 0 1 8 842.69 47.99 0 -1 8 803.15 44.61 0 -1 8 915.77 53.24 0 1 -8 958.57 57.46 0 1 8 1013.39 57.16 0 -1 -9 549.3 48.74 0 -1 9 526.59 38.69 0 1 -9 511.05 45.65 0 -1 9 576.35 45.49 0 1 9 565.3 44.91 0 1 9 564.76 41.31 0 -1 10 34.53 13.52 0 1 10 69.06 17.63 0 1 -10 45.16 16.99 0 -1 -10 31.09 13.79 0 -1 -11 57.76 17.63 0 1 -11 77.32 20.01 0 1 11 105.77 21.57 0 -1 11 88.4 19.68 0 1 12 97.84 22.39 0 -1 -12 101.17 24.5 0 -1 12 83.36 20.1 0 1 -12 69.65 21.39 0 -1 13 361.5 44.03 0 1 -13 310.21 46.53 0 1 13 440.24 62.3 0 -1 -13 274.73 42.82 0 1 13 375.58 44.78 0 1 14 17.67 11.25 0 -1 14 13.45 10.41 0 1 -14 14.93 9.67 0 1 14 17.29 12.82 0 -1 15 24.42 14.87 0 1 15 23.99 11.58 0 1 15 34.94 23.82 0 1 -15 37.34 19.13 0 -1 16 -5.27 9.8 0 1 -16 -3.5 5.17 0 1 16 -1.78 4.24 0 -1 16 1.8 13.47 0 1 16 2.97 10.93 0 1 17 71.6 32.62 0 -1 17 98.8 28.22 0 1 17 138.26 33.16 0 -1 17 146.21 48.39 0 -1 18 2.44 7.79 0 1 18 -4.49 8.99 0 2 -2 2698.57 42.59 0 -2 -2 2731.3 59.91 0 2 2 2694.05 62.64 0 2 -2 2533.22 48.62 0 2 2 2687.41 33.77 0 -2 2 2666.04 43.71 0 2 3 103.02 7.27 0 2 3 103.18 13.4 0 2 -3 102.17 9.54 0 2 3 106.01 12.22 0 -2 3 108.79 12.08 0 2 -3 110.05 11.46 0 -2 3 107.15 10.16 0 2 4 1240.32 27.97 0 -2 4 1182.2 43.5 0 2 -4 1293.79 39.3 0 -2 4 1171.39 38.06 0 2 -4 1261.82 44.04 0 2 4 1249.96 47.04 0 -2 5 6609.07 100.13 0 -2 5 6431.38 112.05 0 2 -5 6675.82 112.22 0 2 5 6656 118.03 0 2 5 6753.6 68.88 0 -2 -5 6745.6 125.61 0 2 -5 6579.39 103.51 0 2 6 1286.33 55.77 0 2 -6 1270.53 54.52 0 -2 6 1282.85 48.61 0 2 -6 1336.87 52.82 0 -2 6 1366.07 56.59 0 -2 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0 3 10 95.78 24.04 0 3 10 96.41 20.65 0 3 -10 89.81 19.44 0 -3 11 527.55 49.96 0 3 11 573.86 64.53 0 3 -11 442.03 19.01 0 3 -11 473.3 15.09 0 3 -11 569.69 52.34 0 3 11 554.14 50.8 0 3 12 190.12 41.32 0 3 -12 112.28 25.75 0 -3 12 141.24 27.37 0 3 12 196.45 31.94 0 3 -13 16.75 10.69 0 3 13 24.67 11.17 0 -3 13 21.23 14.17 0 3 13 1.1 10.68 0 -3 14 170.97 32.01 0 3 14 184.25 34.03 0 3 14 196.38 46.14 0 3 -14 172.61 37.15 0 3 -15 184.2 38.62 0 3 15 245.95 55.34 0 3 15 269.25 41.42 0 -3 15 198.45 37.49 0 3 16 46.51 26.09 0 3 16 36.26 16.82 0 3 -16 41.88 20.25 0 -3 16 12.32 8.13 0 3 -17 17.74 16.31 0 -3 17 -12.82 10.88 0 3 17 0.79 17.33 0 3 17 7.23 9.99 0 3 -18 19.04 15.84 0 -3 18 25.03 19.56 0 3 18 16.02 10.27 0 4 0 452.15 20.01 0 -4 1 1300.72 33.65 0 -4 -1 1370.58 60.68 0 4 -1 1344.55 33.6 0 4 -2 3660.6 62.55 0 4 2 3724.73 112.91 0 -4 -2 3614.43 96.17 0 -4 2 3572.27 56.28 0 4 3 3930.9 112.05 0 -4 3 3936.89 70.82 0 4 -3 3881.83 67.22 0 -4 -3 4073.17 98.31 0 4 -3 3818.61 79.31 0 4 4 120.85 20 0 4 -4 140.08 16.11 0 -4 4 133.94 14.2 0 4 4 132.75 10.92 0 4 -4 136.37 13.33 0 -4 5 998.02 48.62 0 4 5 949.27 30.86 0 4 -5 909.06 37.77 0 4 5 1021.75 48.87 0 4 5 966.3 58.33 0 -4 5 997.14 42.05 0 4 -5 1046.6 46.29 0 -4 6 496.7 36.44 0 4 6 483.3 43.46 0 4 6 444.97 22.48 0 -4 6 476.86 31.2 0 4 -6 462.83 33.18 0 4 6 463.3 35.54 0 4 -6 475.44 30.28 0 4 -7 2181.93 70.46 0 4 7 2169.96 51.19 0 4 7 2150.82 81.22 0 -4 7 2119.03 71.49 0 4 -7 2159.99 77.28 0 4 7 2318.2 100.19 0 -4 7 2382.92 85.39 0 -4 8 501.39 37.46 0 -4 8 491.69 41.08 0 4 8 457.51 39.19 0 4 -8 530.8 40.98 0 4 -8 565.62 39.45 0 4 8 527.74 24.41 0 4 8 490.77 49.99 0 4 -9 112.11 18.68 0 4 9 86.12 18.85 0 4 9 82.73 22.27 0 -4 9 101.64 20.01 0 -4 10 14.53 7.93 0 4 10 34.02 17.31 0 4 10 26.91 11.56 0 4 -10 11.7 8.61 0 4 -11 373.84 42.14 0 4 11 521.54 50.52 0 -4 11 445.57 46.92 0 4 11 478.52 60.16 0 -4 12 118.78 25.12 0 4 -12 83.91 7.2 0 4 -12 76.58 19.92 0 4 12 105.35 24.05 0 4 -12 79.27 8.55 0 4 13 7.51 14.27 0 4 13 10.56 6.48 0 -4 13 -0.28 8.86 0 4 -13 16.78 12.96 0 4 14 74.14 22.23 0 4 -14 46.03 19.09 0 -4 14 84.17 23.4 0 4 14 51.11 24.29 0 4 15 22.73 14.15 0 4 15 26.53 20.36 0 -4 15 18.27 14.93 0 4 -15 -5.88 10.41 0 4 16 21.41 12.48 0 4 -16 50.16 22.37 0 -4 16 41.93 18.95 0 4 16 87.01 37.56 0 4 17 44.97 24.16 0 -4 17 25.3 16.49 0 4 -17 18.23 17.33 0 4 17 -3.44 7.33 0 4 18 19.78 11.72 0 4 -18 5.63 12.38 0 -4 18 6.09 9.49 0 5 0 5.12 3.07 0 -5 1 40.2 6.69 0 -5 -1 50.16 12.94 0 5 -1 46.9 7.11 0 5 -2 1567.89 40.46 0 5 2 1677.17 83.19 0 5 -2 1606.7 45.38 0 -5 2 1603.42 41.95 0 -5 -2 1581.55 73.21 0 -5 -3 122.41 19.52 0 5 3 122.56 24.04 0 5 -3 104.97 11.93 0 -5 3 119.47 11.83 0 -5 3 111.35 12.91 0 5 -4 146.04 17.58 0 -5 -4 132.08 19.73 0 5 -4 134.92 14.32 0 5 4 108.25 21.29 0 5 4 139.77 12.29 0 5 5 -0.85 6.5 0 5 5 -8.57 4.61 0 -5 5 0.64 1.85 0 5 5 1.87 2.74 0 5 -5 4.98 4.01 0 5 -5 2.94 3.22 0 5 6 3284.42 65.76 0 5 6 3330.64 97.05 0 5 -6 3101.25 88.5 0 5 6 3283.67 121.49 0 -5 6 3132.84 83.72 0 5 -6 3244.35 78.41 0 5 7 20.27 12.59 0 -5 7 12.32 8.46 0 -5 7 19.91 7.55 0 5 7 18.98 8.51 0 5 -7 3.41 3.16 0 5 -7 19.57 7.08 0 5 7 13.12 4.47 0 5 -8 93.81 17.41 0 -5 8 98.36 18.98 0 -5 8 77.77 14.77 0 5 8 96.05 18.68 0 5 8 76.68 10.86 0 5 -8 88.68 15.7 0 5 8 86.96 23.47 0 5 9 24.22 5.61 0 5 9 24.09 14.48 0 5 -9 18.92 6.51 0 -5 9 35.14 11.41 0 5 10 1521.2 85.16 0 5 -10 1434.82 74.79 0 5 10 1570.84 104.5 0 -5 10 1448.55 81.44 0 5 -11 8.62 8.05 0 5 11 1.39 7.58 0 -5 11 11.55 9.02 0 5 11 8 9.68 0 -5 12 7.15 7.48 0 5 12 25.31 15.97 0 5 -12 13.44 9.58 0 5 12 21.38 11.7 0 5 -13 29.41 15.19 0 5 13 33.41 20 0 5 13 26.59 15.71 0 -5 13 27.01 15.22 0 5 -14 195.63 36.93 0 5 14 243.15 38.67 0 -5 14 188.15 36.11 0 5 14 167.87 44.85 0 -5 15 -2.17 4.88 0 5 15 0.19 4.37 0 5 -15 17.21 13.83 0 5 15 11.13 17.89 0 5 16 86.49 25.57 0 -5 16 123.33 31.44 0 5 16 116.9 42.37 0 5 -16 168.25 38.36 0 5 -17 2.45 12.35 0 5 17 -2.04 7.96 0 5 17 2 17.75 0 5 -18 7.34 8.23 0 6 0 1042.26 37.46 0 -6 1 2287.31 55.35 0 6 -1 2474.64 56.66 0 -6 2 254.12 18.36 0 6 -2 225.24 17.02 0 -6 -2 285.68 34.19 0 6 3 8532.59 213.84 0 -6 3 8873.99 110.5 0 6 -3 8948.08 117.61 0 -6 -3 8676.93 176.59 0 6 -4 250.8 24.25 0 -6 4 234.49 21.23 0 6 4 235.55 17.21 0 6 -4 222.79 19.33 0 -6 -4 213.71 27.16 0 6 4 247.28 37.76 0 -6 4 215.21 17.96 0 -6 5 98.47 15.05 0 6 5 121.65 25.49 0 6 -5 115.26 16.95 0 6 5 105.84 11.92 0 6 -5 92.12 13.01 0 6 -6 638.27 41.81 0 6 6 683.63 44.83 0 6 -6 643.05 35.62 0 6 6 660.28 59.2 0 -6 6 687.77 40.47 0 6 6 603.38 29.87 0 6 7 1804.36 101.37 0 6 -7 1994.23 67.55 0 6 7 1996.97 56.35 0 -6 7 2011.75 73.47 0 6 -7 2107.08 79.05 0 6 7 2003.75 81.65 0 6 8 5.72 11.56 0 6 8 3.24 4.37 0 6 -8 11.27 6.74 0 -6 8 4.58 5.43 0 6 9 70.46 21.94 0 6 9 80.32 11.99 0 6 -9 115.83 18.95 0 6 10 18.23 15.57 0 6 -10 35.5 11.81 0 6 11 387.5 45.65 0 6 -11 346.2 38.14 0 6 11 314.73 51.37 0 6 12 324.09 56.04 0 6 -12 215.52 33.73 0 6 12 242.73 37.32 0 6 13 9.48 14.94 0 6 -13 30.54 15.73 0 6 13 33.3 17.11 0 6 -14 24.81 11.43 0 6 14 40.18 18.21 0 6 14 24.77 23.56 0 6 15 24.61 14.01 0 6 -15 15.36 12.47 0 6 15 -2.24 5.15 0 6 16 10.15 13.51 0 6 -16 15.76 16.08 0 6 16 46.52 19.51 0 6 -17 25.85 15.9 0 6 17 4.55 8.09 0 6 -18 12.88 15.05 0 7 0 -0.09 1.56 0 -7 1 4865.67 86 0 7 -1 4874.36 85.8 0 7 -2 10.11 4.3 0 -7 2 13.23 4.99 0 -7 -2 7.35 4.74 0 7 -3 1726.79 49.86 0 7 3 1744.56 101.85 0 7 -3 1674.77 55.77 0 -7 -3 1808.17 88.87 0 -7 3 1809.16 53.7 0 7 4 185.79 35.66 0 7 -4 218.76 20.64 0 -7 -4 180.14 26.89 0 -7 4 192.6 17.93 0 -7 5 562.32 32.01 0 7 -5 566.82 33.63 0 7 5 569.76 29.42 0 7 -5 556.18 39.43 0 -7 -5 638.69 49.71 0 7 5 574.72 60.52 0 -7 5 541.64 36.05 0 -7 6 384.51 31.94 0 -7 6 404.15 28.33 0 7 -6 407.15 34.62 0 7 6 374.85 25.23 0 7 -6 368.32 27.89 0 7 6 397.63 50.68 0 -7 7 161.79 21.64 0 7 7 166.93 24.34 0 7 -7 148.49 21.87 0 7 -7 142.35 18.38 0 7 7 124.06 29.37 0 7 7 141.64 16.09 0 7 -8 1079.42 53.41 0 7 8 943.82 81.14 0 7 8 1038.14 45.01 0 7 -9 34.91 11.6 0 7 9 52.66 23.73 0 7 9 7.4 4.19 0 7 10 126.71 15.52 0 7 10 173.35 38.86 0 7 -10 159.73 23.62 0 7 11 515.37 68.58 0 7 -11 528.62 46.52 0 7 -12 45.43 15.65 0 7 12 46.37 17.29 0 7 13 96.15 36.14 0 7 13 71.96 22.18 0 7 -13 68.52 19.15 0 7 14 112.08 37.54 0 7 14 107.55 26 0 7 -14 125.52 28.31 0 7 15 94.41 38.22 0 7 -15 75.27 24.06 0 7 15 121.3 29.13 0 7 -16 26.51 15.51 0 7 16 71.64 24.41 0 7 16 63.77 38.14 0 7 17 -5.94 7.54 0 7 -17 -5.26 9.92 0 7 -18 10.3 14.3 0 8 0 438.46 28.16 0 8 -1 3587.87 79.47 0 -8 -2 2561.88 118.9 0 8 -2 2713.03 68.51 0 -8 2 2648.58 68.63 0 8 -3 1.01 1.19 0 8 -3 6.36 3.61 0 -8 3 7.12 4.16 0 -8 -3 7.73 8.34 0 8 4 455.76 58.27 0 -8 4 360.49 26.25 0 -8 -4 385.7 42.07 0 8 -4 385.28 28.72 0 8 5 2208.88 62.56 0 8 5 2425.41 135.26 0 -8 5 2170.12 66.28 0 8 -5 2234 69.87 0 -8 -5 2331.21 100.5 0 8 -5 2310.36 84.6 0 8 6 207.28 19.66 0 8 6 195.2 39.11 0 -8 6 183.36 20.06 0 -8 6 162.87 21.48 0 8 -6 234.17 27.24 0 8 -6 164.5 19.88 0 8 7 89.12 26.75 0 8 7 72.56 11.78 0 -8 7 87.65 14.39 0 8 -7 79.41 14.63 0 -8 7 64.3 14.38 0 8 -8 555.11 39.21 0 8 8 530.36 65.67 0 8 8 560.55 34.71 0 8 -9 703.97 47.18 0 8 9 713.08 77.76 0 8 9 757.33 41.7 0 8 10 19.47 15.51 0 8 -10 7.64 5.15 0 8 10 13.41 5.41 0 8 11 19.06 16.59 0 8 -11 13.35 9.07 0 8 12 208.32 47.24 0 8 -12 268.53 35.62 0 8 -13 12.12 9.2 0 8 13 47.53 26.42 0 8 13 21.29 13.96 0 8 -14 -29.73 13.91 0 8 14 -4.31 14.46 0 8 15 16.54 13.51 0 8 -15 14.23 11.88 0 8 15 11.3 20.39 0 8 16 29.37 18.8 0 8 16 -18.97 18.76 0 8 -16 16.64 10.59 0 8 17 17.29 12.14 0 8 -17 8.18 12.05 0 8 -18 -13.59 13.57 0 9 0 14.96 7.98 0 9 -1 859.45 41.71 0 9 -2 739.99 38.16 0 -9 2 725.78 38.6 0 -9 -2 730.45 67.14 0 9 -3 883.05 45.09 0 -9 -3 876.53 71.29 0 -9 3 874.65 42.79 0 9 -3 846.99 40.25 0 -9 4 1205.52 50.67 0 -9 -4 1300.37 82.4 0 9 -4 1320.05 55.69 0 9 4 1398 104.45 0 9 5 3.27 3.2 0 -9 5 2.92 2.89 0 9 -5 4.48 3.29 0 -9 -5 14.72 8.57 0 9 5 17.52 15.79 0 -9 -6 306.1 38.19 0 -9 6 255.56 24.72 0 9 -6 280.83 31.1 0 9 6 248.75 22.2 0 9 -6 228.48 24.35 0 9 7 391.96 61 0 9 -7 353.67 31.35 0 9 7 392.96 29.95 0 -9 7 360.19 30.62 0 9 8 1607.52 120.68 0 9 -8 1587.08 67.34 0 -9 8 1401.68 62.11 0 9 8 1530.46 60.42 0 9 9 200.03 44 0 9 -9 217.91 26.17 0 -9 9 253.51 28.02 0 9 9 241.77 25.12 0 9 10 31.48 19.37 0 9 -10 38.54 12.32 0 9 10 23.26 7.91 0 9 -11 157.06 24.71 0 9 11 170.5 45.64 0 9 -12 69.17 18.4 0 9 12 49.12 22.55 0 9 -13 182.68 31.44 0 9 13 196.29 37.33 0 9 13 146.45 44.06 0 9 -14 42.45 17.31 0 9 14 44.47 19.2 0 9 14 68.03 29.68 0 9 15 13.18 10.42 0 9 15 53.9 32.23 0 9 -15 15.99 13.18 0 9 16 1.89 8.86 0 9 16 8.31 15.13 0 9 -16 -4.94 9.12 0 9 17 38.34 18.87 0 9 -17 33.54 17.53 0 10 0 7580.4 131.51 0 10 1 1152.47 52.69 0 10 -1 1122.65 50.05 0 -10 2 12.57 5.63 0 10 -2 9.4 5.57 0 -10 -2 24.74 16.15 0 -10 3 114.44 16.58 0 -10 -3 125.61 29.83 0 10 -3 107.29 16.46 0 10 -3 113.39 16.2 0 -10 4 3557.37 92.44 0 -10 -4 3529.95 143.63 0 10 -4 3553.49 96.15 0 10 -5 3.74 3.54 0 10 5 2.88 3.03 0 -10 5 3.59 3.51 0 -10 -5 0.17 4.91 0 10 -6 239.07 25.83 0 10 6 251.36 23.91 0 -10 -6 259.77 36.94 0 10 6 256.47 53.32 0 -10 6 238.05 25.24 0 -10 7 18.14 8.01 0 10 7 15.47 6.92 0 10 -7 26.77 9.28 0 10 7 5.9 18.21 0 10 -8 288.71 29.59 0 10 8 351.17 30.48 0 -10 8 269.22 28.4 0 10 8 252.72 51.91 0 10 9 79.44 15.27 0 10 -9 59.6 14.18 0 10 10 496.11 75.42 0 10 -10 482.92 41.68 0 10 10 463.54 36.93 0 10 11 35.17 24.25 0 10 -11 14.79 7.44 0 10 12 6.24 15.88 0 10 -12 2.17 3.65 0 10 13 53.05 32.87 0 10 -13 4.21 8.06 0 10 -14 92.9 23.89 0 10 14 137.66 32.11 0 10 14 84.22 37.79 0 10 15 15.22 21.33 0 10 15 4.22 6.57 0 10 -15 12.1 11.77 0 10 16 18.83 12.37 0 10 -16 23.13 15.72 0 10 16 19.15 20.57 0 10 -17 27.71 16.45 0 11 0 10.38 8.03 0 11 1 1348.49 60.2 0 11 -1 1338.13 57.7 0 -11 -2 70.61 22.08 0 11 -2 37.33 9.87 0 11 -3 1598.65 61.86 0 11 -3 1626.24 67.63 0 -11 -3 1448.12 102.07 0 -11 3 1556.83 63.61 0 11 -4 244.25 27.06 0 -11 -4 234.6 39.54 0 -11 4 200.56 23.12 0 11 -4 227.01 23.07 0 -11 -5 6.98 8.98 0 11 5 -5.43 8.66 0 11 5 5.71 5.33 0 -11 5 -2.99 4.92 0 11 -5 8 6.15 0 11 6 632.65 82.73 0 -11 -6 639.77 60.3 0 11 -6 502.89 39.07 0 -11 6 497.42 37.35 0 11 6 522.05 35.86 0 11 7 295.67 28.48 0 11 7 317.6 61.48 0 11 -7 333.17 32.13 0 -11 7 305.84 30.54 0 11 8 205.52 24.25 0 11 -8 173.91 24.07 0 11 8 144.79 42.81 0 11 -9 558.42 43.41 0 11 9 530.5 40.02 0 11 9 439.88 73.37 0 11 10 89.61 17.49 0 11 -10 70.57 16.47 0 11 11 17.61 9.29 0 11 -11 7.34 7.03 0 11 -12 23.54 11.85 0 11 12 47.97 32.8 0 11 13 437.35 78.94 0 11 -13 289.23 38.91 0 11 -14 15 12.38 0 11 14 2.84 11.71 0 11 15 7.36 21.45 0 11 15 1.39 6.81 0 11 -15 17 13.17 0 11 16 -9.01 13.34 0 11 16 -2.34 21.43 0 11 -16 -0.6 6.21 0 11 -17 34.03 18.4 0 12 0 604.33 41.38 0 12 1 163.49 21.84 0 12 -1 125.35 18.95 0 12 -2 1086.73 53.94 0 -12 -2 1082.37 93.1 0 -12 -3 32.77 19.37 0 -12 3 21.78 8.22 0 12 -3 18.67 8.23 0 -12 4 854.96 50.35 0 -12 -4 828.04 76.71 0 12 -4 845.72 51.77 0 12 -4 936.37 48.97 0 -12 5 1416.6 65.08 0 12 -5 1308.61 64.63 0 -12 -5 1440.8 96.98 0 12 5 1379.3 60.79 0 -12 6 495.65 39.4 0 12 6 616.78 83.25 0 12 6 504.46 37.91 0 12 -6 550.79 42.53 0 12 -7 304.51 31.64 0 12 7 375.31 68.26 0 12 7 314.14 30.36 0 12 8 250.15 27.95 0 12 8 270.32 58.77 0 12 -8 225.85 28.23 0 12 9 461.48 39.47 0 12 -9 491 41.51 0 12 9 487.02 80.05 0 12 10 77.62 36.17 0 12 -10 43.18 13.78 0 12 -11 22.27 10.25 0 12 11 60.97 29.68 0 12 12 11.09 9.02 0 12 -12 -6.15 3.81 0 12 13 89.55 39.76 0 12 -13 36.48 14.32 0 12 14 22.81 24.1 0 12 -14 0.31 4.14 0 12 15 33.05 17.9 0 12 -15 6.47 6.35 0 12 15 32.4 28.92 0 12 16 5.91 24.32 0 12 -16 3.61 5.23 0 12 16 3.19 7.91 0 13 0 1.62 3.24 0 13 1 191.5 24.87 0 13 -1 194.61 24.16 0 13 -2 6.57 6.32 0 -13 -2 11.86 15 0 13 -3 99.06 17.23 0 -13 -3 86.38 29.28 0 13 -4 634.56 41.92 0 -13 4 683.95 46.68 0 13 -4 705.48 49.38 0 -13 -4 636.45 70.7 0 -13 5 736 49.28 0 13 -5 660.03 48.13 0 -13 -5 697.49 70.48 0 13 -6 126.69 21.31 0 13 -7 34.78 11.83 0 13 7 81.68 30.23 0 13 8 257.51 60.05 0 13 -8 243.1 30.27 0 13 -9 72.81 16.97 0 13 9 115.13 41.15 0 13 10 12.09 17 0 13 -10 1.23 3.02 0 13 11 274.56 66.16 0 13 -11 263.11 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13 10 18.87 24.46 -1 13 -10 16.43 8.96 -1 13 -11 30.36 13.17 1 13 11 12.03 19.74 -1 13 -12 38.05 14.96 1 13 12 132.32 53.75 -1 13 -13 30.47 14.49 1 13 13 21.55 28.53 -1 13 -14 7.07 7.36 1 13 14 32.06 27.74 1 13 15 28.45 15.86 -1 13 -15 14.4 12.86 1 14 -16 29.35 14.84 -1 14 16 48.01 41.83 -1 14 15 48.76 37.21 1 14 -15 22.62 12.98 -1 14 14 39.36 32.14 1 14 -14 12.6 11.6 -1 14 13 8.43 25.27 1 14 -13 21.53 12.09 1 14 -12 277.42 35.32 -1 14 12 265.5 65.74 1 14 -11 54.9 16.01 -1 14 11 57.72 31.06 -1 14 10 68.11 32.83 1 14 -10 68.7 17.29 -1 14 9 138.92 44.32 1 14 -9 61.15 16.43 1 14 -8 289.01 33.65 -1 -14 8 277.82 30.82 -1 14 8 352.5 68.58 -1 -14 7 61.08 14.76 1 14 -7 62.78 15.44 1 14 -6 24.83 10.25 1 -14 -6 39.8 14.47 1 -14 -5 52.46 16.8 1 14 -5 33.45 10.6 1 14 -5 28.01 11 1 -14 -4 84.21 21.72 -1 14 4 62.92 17.78 1 14 -4 93.75 16.73 1 14 -3 24.75 9.99 -1 14 3 16.52 7.87 1 -14 -3 13.76 11.97 1 14 -2 292.71 29.64 1 -14 -2 237.09 40.43 -1 14 2 300.21 33.68 -1 14 1 132.18 22.15 1 14 -1 190.57 24.39 -1 14 0 1549.4 73.62 1 14 0 1694.48 74.8 -1 14 -1 22.67 11.23 -1 14 -2 408.03 38.77 -1 14 -2 413.78 37.71 -1 14 -3 102.67 19.7 -1 14 -3 122.34 21.19 -1 14 -4 1449.59 73.67 -1 14 -5 198 27.66 -1 14 -6 22.59 10.01 -1 14 -7 86 18.26 1 14 8 57.68 33.82 -1 14 -8 65.03 16.95 1 14 9 448.56 87.25 -1 14 -9 316.11 36.63 -1 14 -10 104.27 22.88 1 14 10 49.65 32.67 -1 14 -11 28.09 13.05 1 14 11 1.4 15.01 1 14 12 47.17 21.79 -1 14 -12 45.53 15.31 1 14 13 106.44 45.48 -1 14 -13 78.55 21.96 1 14 14 121.51 52.14 -1 14 -14 65.98 21 1 15 -16 -0.97 6.04 -1 15 16 -18.62 18.54 1 15 -15 -1.22 5.98 -1 15 15 16.9 9.7 1 15 -14 27.59 13.3 -1 15 14 40.64 26.82 -1 15 13 51.17 30.54 1 15 -13 8.08 6.8 -1 15 12 75.19 37.43 1 15 -12 81.33 20.27 -1 15 11 10.12 22.36 1 15 -11 9.57 6.86 1 15 -10 102.22 21.09 -1 15 10 70.17 33.15 1 15 -9 36.49 14.5 -1 15 9 37.9 26.44 1 15 -8 433.12 41.9 -1 15 8 404.34 72.52 1 15 -7 10.47 5.99 1 -15 -6 1.61 6.28 1 15 -6 -0.98 3.97 1 -15 -5 192.03 33.13 -1 15 5 213.97 31.89 1 15 -5 221.55 26.33 1 15 -5 190.11 27.98 1 15 -4 2958.96 96.12 -1 15 4 2827.04 112.53 1 15 -3 80.49 16.21 -1 15 3 62.37 17.16 1 -15 -3 84.54 26.25 1 15 -2 28.17 9.49 -1 15 2 16.33 7.38 1 -15 -2 7.91 12.36 -1 15 1 20.27 10.59 1 15 -1 19.88 10.09 -1 15 0 1887.36 83.77 1 15 0 1884.41 81.77 -1 15 -1 238.42 29.64 -1 15 -2 420.31 40.86 -1 15 -2 334.43 35.48 -1 15 -3 57.83 14.61 -1 15 -3 46.8 13.52 -1 15 -4 64.97 15.78 -1 15 -5 194.48 28.34 -1 15 -6 658.28 52.38 -1 15 -7 -0.32 5.18 -1 15 -8 33.15 11.86 -1 15 -9 18.61 11.16 -1 15 -10 265.25 35.95 1 15 10 289.34 73.81 -1 15 -11 -4.17 5.06 1 15 11 47.07 34.82 1 15 12 11.44 25.63 -1 15 -12 31.94 14.33 -1 15 -13 1.59 4.29 1 15 13 29.81 31.81 -1 15 -14 19.58 16.72 1 15 14 44.26 35.43 -1 16 16 24.65 32.97 1 16 -16 -9.82 11.56 1 16 -15 16.85 10.57 -1 16 15 2.99 28.11 1 16 -14 31 14.42 -1 16 14 38.4 31.43 1 16 -13 59.34 17.94 -1 16 13 37.41 22.95 1 16 -12 -3.88 5 -1 16 12 -4.26 12.77 1 16 -11 44.38 15.22 -1 16 11 42.23 22.59 1 16 -10 75.04 18.75 -1 16 10 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15.84 1 18 -12 31.36 15.21 1 18 -11 31.59 13.23 1 18 -10 27.49 12.91 1 18 -9 211.87 33.73 1 18 -8 101.41 23.26 -1 18 7 46.89 17.02 1 18 -7 4.14 5.64 1 18 -6 84.9 19.95 -1 18 6 64.03 20.51 -1 18 5 184.86 33.24 1 18 -5 239.27 34.17 1 18 -4 43.18 13.47 1 -18 -4 61.13 21.48 -1 18 4 33.64 14.61 1 18 -3 166.04 25.8 1 -18 -3 176.9 41.02 -1 18 3 166.02 29.41 1 -18 -2 6.8 15.99 -1 18 2 14.38 12.11 1 18 -2 11.61 8.92 1 -18 -1 155.76 40.61 -1 18 1 122.03 24.19 1 18 -1 103.24 20.9 1 18 0 271.24 35.47 -1 18 0 258.58 34.95 1 18 1 173.18 29.14 -1 18 -1 166.76 27.93 1 18 2 130.26 25.71 -1 18 -2 219.07 31.71 -1 18 -2 168.74 28.7 -1 18 -3 112.39 23.92 -1 18 -3 126.49 23.78 -1 18 -4 340.67 41.1 -1 18 -5 15 9.73 -1 18 -6 28.07 12.64 -1 18 -7 285.89 38.5 -1 18 -8 26.57 11.95 -1 18 -9 10.73 9.21 -1 18 -10 46.64 16.86 -1 18 -11 124.06 27.56 -1 18 -12 0.05 4.9 1 19 -14 5.45 8.89 1 19 -13 5.75 5.83 1 19 -12 26.18 13.57 1 19 -11 42.2 15.27 1 19 -10 69.01 19.73 1 19 -9 40.88 15.5 1 19 -8 0.36 6.8 -1 19 8 33.94 16.76 1 19 -7 112.02 24.88 -1 19 7 119.26 28.65 -1 19 6 485.86 56.53 1 19 -6 416.22 46.95 -1 19 5 197.89 35.83 1 19 -5 254.84 36.86 1 19 -5 244.49 32 1 19 -4 0.46 3.17 -1 19 4 -0.81 5.77 -1 19 3 14.35 8.21 1 19 -3 35.15 13.2 1 19 -2 725.8 56.75 1 -19 -2 721.23 89.6 -1 19 2 679.22 60.12 -1 19 1 240.14 34.94 1 -19 -1 216.85 50.36 1 19 -1 249.61 33.58 -1 19 0 34.78 14.21 1 19 0 1.71 4.65 -1 19 -1 87.97 20.98 1 19 1 62.05 18.22 1 19 2 147.57 29.46 -1 19 -2 123.25 24.74 -1 19 -2 128.72 25.62 -1 19 -3 126.5 24.78 -1 19 -3 118.36 24.98 -1 19 -4 185.54 31 -1 19 -5 106.17 23.3 -1 19 -6 30.58 13.36 -1 19 -7 98.57 23.89 -1 19 -8 141.7 27.81 -1 19 -9 2.62 7.48 -1 19 -10 52.64 17.34 -1 19 -11 31.44 14.75 -1 19 -12 12.04 8.24 1 20 -13 -1.01 4.12 1 20 -12 2.34 3.84 1 20 -11 53.48 18.51 1 20 -10 112.09 25.7 1 20 -9 6.25 9.68 -1 20 9 10.8 9.92 1 20 -8 20.79 12.51 -1 20 8 8.71 7.11 1 20 -7 12.61 8.82 -1 20 7 11.86 15.26 1 20 -6 31.35 13.59 -1 20 6 39.86 18.68 -1 20 5 73.86 23.28 1 20 -5 52.06 15.68 1 20 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38.44 -2 -7 -1 882.61 85.02 2 7 1 921.1 50.6 2 -7 1 924.84 46.75 -2 -7 -1 940.94 49.29 -2 7 -1 929.49 42.62 -2 -7 -2 127.87 35.42 2 7 2 111.75 18.43 2 -7 2 109.06 16.43 -2 -7 -2 125.62 18.6 -2 7 -2 127.75 16.02 2 -7 2 109.1 16.41 2 -7 3 2527.58 82.22 -2 -7 -3 2577.62 84.24 2 7 3 2633.93 89.59 2 -7 3 2783.73 87.84 -2 7 -3 2589.4 75.79 -2 -7 -3 2377.75 146.38 2 7 4 1164.04 61.08 2 7 4 1270.85 65.37 2 -7 4 1134.2 58.77 -2 7 -4 1261.59 54.53 -2 -7 -4 1230.13 58.45 -2 -7 -4 1180.61 98.6 2 7 4 1220.03 108.74 -2 7 -5 271.7 26.39 2 7 5 259.09 54 -2 7 -5 256 23.42 2 7 5 255.36 29.43 -2 -7 -5 281.36 28.73 -2 7 -6 421.6 34.78 -2 7 -6 409.36 30.53 2 7 6 405.45 37.17 -2 -7 -6 426.87 35.15 2 7 6 356.42 62.97 -2 7 -7 1139.54 53.52 -2 7 -7 1187.26 61.28 2 7 7 1099.95 61.34 -2 -7 -7 1139.13 57.92 2 7 7 1076.29 108.37 -2 7 -8 681.34 49.43 2 7 8 588.69 82.03 -2 -7 -8 539.81 40.12 -2 7 -8 535.46 39.12 2 7 9 81.13 32.8 -2 -7 -9 60.88 13.74 -2 7 -9 26.47 11.32 -2 7 -10 348.32 40.36 2 7 10 358.44 67.39 2 7 11 235.17 33.42 -2 7 -11 278.15 38.98 2 7 11 258.4 60.28 2 7 12 41.83 16 2 7 12 38.66 27.72 -2 7 -12 -3.84 8.55 2 7 13 4.86 7.36 -2 7 -13 32.85 16.49 2 7 13 -17.55 21.82 2 -7 13 33.93 22.47 2 -7 14 131.42 40.36 -2 7 -14 68.51 24.61 2 7 14 105.23 25.28 2 7 14 137.77 49.77 2 -7 15 27.24 26.06 -2 7 -15 14.8 10.24 2 7 15 14.67 28.22 2 7 15 6.05 8.64 2 7 16 26.71 14.76 -2 8 17 4.48 15.67 -2 8 17 24.55 16.7 -2 8 16 42.59 24.13 -2 8 16 24.38 16.21 2 8 -16 25.85 15.02 -2 8 15 7.79 11.12 2 8 -15 0.64 4.52 -2 8 15 4.79 7.02 -2 8 14 88.34 29.4 -2 8 14 87.06 26.33 2 8 -14 61.21 18.28 -2 8 13 281.69 50.48 2 8 -13 264.02 34.07 -2 8 13 315.2 47.88 2 8 -12 39.27 12.7 -2 8 12 21.32 13.08 -2 8 11 0.59 8.33 2 8 -11 16.06 8.02 2 8 -11 2.49 3.74 -2 -8 11 11.97 5 -2 8 11 19.18 5.69 2 8 -10 405.8 33.02 -2 -8 10 390.41 25.94 2 8 -10 382.56 33.09 -2 8 10 392.84 50.09 2 8 -9 395.53 30.44 -2 8 9 335.32 34.48 2 8 -9 415.72 34.62 -2 8 9 415.08 46.55 -2 -8 9 405.47 24.84 -2 8 8 54.69 17.27 -2 -8 8 43.1 7.78 2 8 -8 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2 9 -15 73.63 20.38 -2 9 14 15.34 11.64 -2 9 14 4.4 4.72 2 9 -14 3.08 6.12 -2 9 13 10.41 14.2 -2 9 13 12.66 12.9 2 9 -13 4.15 5.98 -2 9 12 71.6 27.11 2 9 -12 116.4 21.05 2 9 -11 159.98 22.38 -2 9 11 178.79 38.93 2 9 -11 117.58 19.39 -2 9 10 2.94 7.46 -2 -9 10 9.02 4.88 2 9 -10 2.14 2.62 2 9 -10 9.61 6.63 -2 9 9 29.72 13.98 -2 -9 9 24.65 6.47 2 9 -9 20.87 8.17 2 9 -9 32.71 9.74 2 9 -8 75.08 13.71 -2 9 8 102.43 24.26 -2 -9 8 81.11 11.14 2 9 -8 65.43 14.62 -2 9 7 202.87 33.37 2 9 -7 196.11 21.27 2 9 -7 205.02 24.71 -2 9 6 251.77 35.89 2 9 -6 253.11 27.43 -2 9 6 237.97 27.59 2 9 -6 251.26 23.75 -2 9 5 167.7 22.56 2 9 -5 211.2 16.38 -2 9 5 233.23 35.46 2 9 -5 187.27 23.56 2 9 -5 188.86 20.48 2 9 -4 798.94 33.86 2 9 -4 757.23 46.62 -2 9 4 802.51 47.21 -2 9 4 851.49 60.04 -2 9 3 163.54 21.22 2 9 -3 175.87 22.44 2 9 -3 135.39 14.9 2 -9 -2 246.14 25.55 -2 9 2 283.04 26.85 2 9 -2 304.56 29.34 -2 9 1 186.9 21.82 2 9 -1 162.83 21.75 2 -9 -1 163.38 20.99 2 -9 -1 162.03 15.27 2 -9 0 2204.08 77.44 2 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19.66 -2 9 -13 75.24 24.03 2 9 14 104.7 46.41 2 9 14 97.99 24.56 -2 9 -14 78.76 24.46 -2 9 -15 51.55 19.98 2 9 15 58.65 20.04 2 -9 15 8.68 15.07 2 9 16 -1.11 5.3 -2 10 17 1.69 16.98 -2 10 16 20.96 15 -2 10 16 -4.03 8.99 2 10 -16 30.68 15.96 -2 10 15 19.22 16.71 2 10 -15 17.01 10.85 -2 10 15 28.55 19.91 -2 10 14 55.76 21.52 2 10 -14 27.99 11.99 -2 10 14 41.59 21.14 -2 10 13 68.6 26.37 2 10 -13 24.02 9.57 2 10 -12 438.73 40.17 -2 10 12 435.84 63.39 2 10 -11 14.85 8.31 -2 10 11 11.15 15.99 2 10 -11 0.83 4.5 -2 10 10 -9.37 8.56 -2 -10 10 -0.68 2.34 2 10 -10 -3.62 5.84 2 10 -10 2.24 5.32 2 10 -9 81.81 16.74 -2 10 9 71.23 22.6 -2 -10 9 76.91 12.29 2 10 -9 78.73 14.67 -2 -10 8 2786.15 70.28 2 10 -8 2856.59 97.17 -2 10 8 2874.87 139.02 2 10 -8 2890.89 87.56 2 10 -7 29 9.18 2 10 -7 27 10.14 -2 10 6 4.5 9.49 -2 10 6 0.25 3.41 2 10 -6 6.72 5.42 2 10 -6 1 2.24 2 10 -5 1.46 2.61 -2 10 5 -4.37 3.95 2 10 -5 1.14 2.22 -2 10 4 2583.09 88.31 2 10 -4 2419.56 85.58 2 10 -4 2557.23 65.25 2 10 -3 227.4 20.37 2 10 -3 242.92 27.17 -2 10 3 232.04 25.85 -2 10 2 711.98 44.8 2 -10 -2 761.04 30.46 2 10 -2 757.15 47.83 2 -10 -1 7.66 4.74 -2 10 1 7.45 6.25 2 10 -1 23.08 9.73 2 -10 -1 14.11 6.67 -2 10 0 780.05 46.02 2 10 0 821.02 50.22 2 -10 0 770.85 47.63 -2 10 0 760.83 44.78 2 10 1 404.19 36.1 -2 10 -1 474.11 36 2 -10 1 438.9 36.27 -2 10 -1 430.67 33.53 2 10 2 1673.2 74.42 -2 10 -2 1741.92 68.91 -2 10 -3 74.15 14.85 2 10 3 65.05 14.94 -2 10 -4 97.64 17.08 2 10 4 87.93 18.18 -2 10 -5 45.17 12.82 -2 10 -6 1111.08 58.65 -2 10 -6 1021.71 57.84 2 10 6 1128.76 118.06 -2 10 -7 6.17 2.68 2 10 7 57.72 30.56 -2 10 -8 152.07 24.08 2 10 8 118.48 46.19 -2 10 -9 31.87 13.05 2 10 9 79.89 33 2 10 10 31.73 25.26 -2 10 -10 65.9 17.82 -2 10 -11 20.6 9.95 2 10 11 27.07 25.42 -2 10 -12 12.29 10.73 2 10 12 24.13 21.19 2 10 13 32.58 14.69 2 10 13 34.52 27.73 -2 10 -13 35.31 16.36 2 10 14 18.98 12.48 -2 10 -14 8.73 5.39 -2 10 -15 36.64 20.03 2 10 15 15.5 11.49 2 -10 15 6.31 10.52 2 10 16 2.37 11.31 -2 11 17 21.6 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5.43 4 14 -5 90.05 14.74 -4 14 5 67.66 19.13 4 14 -4 384.37 31.98 -4 14 4 337.81 39.91 -4 14 4 373.13 37.68 -4 14 3 356.67 39.6 -4 14 3 314 34.4 -4 14 2 284.71 34.87 -4 14 2 228.14 29.51 -4 14 1 23.22 11.21 -4 -14 1 15.23 10.09 -4 -14 0 560.39 54.06 -4 14 0 687.71 51.93 -4 14 -1 102.92 20.49 -4 -14 -1 112.15 25.05 4 -14 1 101.23 13.59 -4 14 -2 67.76 16.91 4 -14 2 91.94 18.15 -4 -14 -2 84.12 21.94 4 -14 3 22.39 11 -4 14 -3 14.5 9.25 -4 -14 -3 29.15 13.69 4 -14 4 9.84 4.61 -4 -14 -4 18.51 9.55 4 -14 5 58.45 18.14 -4 14 -5 20.06 9.9 -4 -14 -5 43.37 17.86 4 -14 6 1.9 6.08 -4 14 -6 2.35 4 4 -14 7 9.04 14.03 -4 14 -7 41.43 15.36 4 -14 8 116.87 31.89 -4 14 -8 105.74 24.26 4 -14 9 19.35 15.23 -4 14 -9 1.21 6.29 4 -14 10 40.72 20.77 -4 14 -10 36.92 16.04 4 -14 11 22.4 18.19 -4 15 15 2.98 7.3 -4 15 14 -4.78 4.03 -4 15 13 28.16 15.11 -4 15 12 30.32 15.02 4 15 -11 15.48 7.99 -4 15 11 15.19 10.96 4 15 -10 125.94 21.83 -4 15 10 144.62 29.43 4 15 -9 6.34 4.49 -4 15 9 26.08 13.58 -4 15 8 45.06 16.32 4 15 -8 24.31 10.26 -4 15 7 -5.03 5.45 4 15 -7 5.65 3.45 4 15 -7 2.72 5.93 4 15 -6 288.81 25.91 -4 15 6 320.95 40.61 4 15 -5 18.18 7.44 -4 15 5 32.03 14.02 4 15 -4 160.8 22.35 -4 15 4 197.8 30.9 -4 15 4 153.56 25.51 -4 15 3 21.6 11.7 -4 15 3 6.89 5.79 -4 15 2 24.29 11.39 -4 15 2 30.91 11.71 -4 15 1 132.47 23.2 -4 15 0 416.85 41.67 -4 15 -1 19.86 10.83 -4 15 -2 37.89 13.83 4 -15 2 30.39 10.75 4 -15 3 38.75 11.33 -4 15 -3 46.82 16.27 4 -15 4 728.64 57.79 -4 15 -4 678.19 56.14 4 -15 5 20.52 13.33 -4 15 -5 5.24 3.14 4 -15 6 3.36 7.93 -4 15 -6 9.32 8.45 4 -15 7 4.66 8.9 -4 15 -7 3.65 8.39 4 -15 8 283.06 45.47 -4 15 -8 311.31 41.47 -4 15 -9 26.41 13.1 -4 15 -10 -2.09 7.53 -4 16 15 15.63 12.38 -4 16 14 11 10.19 -4 16 13 70.35 21.25 -4 16 12 23.14 14.34 -4 16 11 -1.73 5.37 4 16 -10 7.99 6.83 -4 16 10 12.72 11.55 -4 16 9 456.17 52.34 4 16 -9 365.63 38.37 -4 16 8 12.72 7.91 4 16 -8 15.48 8.83 -4 16 7 11.05 7.7 4 16 -7 2.28 2.95 4 16 -6 154.63 20.11 -4 16 6 132.33 26.92 4 16 -5 264.71 28.08 -4 16 5 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10.51 10.96 -8 6 -5 56.7 22.3 -8 7 13 16.09 12.72 -8 7 12 20.23 11.81 -8 7 11 -7 5.57 -8 7 11 9.84 10.81 -8 -7 11 23.4 13.5 -8 7 10 51.92 22.39 -8 -7 10 21.64 13.34 -8 7 9 4.88 10.44 -8 -7 9 14.45 15.54 -8 -7 8 43.76 22.78 -8 -7 7 159.37 41.16 -8 -7 6 60.01 28.22 -8 -7 5 45.71 24.57 -8 -7 4 52.37 24.85 -8 -7 3 164.29 43.52 -8 -7 2 19.53 18.06 -8 -7 1 14.79 19.05 -8 7 0 43.35 15.77 -8 -7 0 77.93 35.45 -8 7 -1 47.21 17.74 -8 -7 -1 36.7 17.39 -8 7 -2 15.81 13.5 -8 -7 -2 46.88 24.92 -8 7 -3 11.48 10.41 -8 -7 -3 -0.81 13.99 -8 7 -4 0.48 7.89 -8 7 -5 27.32 17.59 -8 8 13 7.11 8.11 -8 8 12 -3.75 5.47 -8 8 11 16.68 10.55 -8 8 11 33.97 21.16 -8 -8 11 -8.12 10.23 -8 -8 10 22.31 15.5 -8 -8 9 32.38 19.06 -8 -8 8 0.67 7.52 -8 -8 7 -11.05 14.08 -8 -8 6 16.05 15.72 -8 -8 5 -12.72 16.81 -8 -8 4 62.68 27.44 -8 -8 3 -9.6 15 -8 -8 2 13.41 14.29 -8 -8 1 158.75 43.44 -8 8 0 61.73 18.87 -8 -8 0 122.67 39.22 -8 8 -1 21.28 12.12 -8 -8 -1 28.16 19.21 -8 8 -2 -1.37 5.47 -8 -8 -2 7.12 9.82 -8 8 -3 131.92 31.45 -8 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6 9 44.64 21.84 -9 6 8 -0.71 11.07