#------------------------------------------------------------------------------ #$Date: 2021-07-22 02:05:34 +0300 (Thu, 22 Jul 2021) $ #$Revision: 267680 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/42/1564222.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_1564222 loop_ _publ_author_name 'Wang, Hai-Lian' 'Li, Hao-Ran' 'Zhang, Yi-Chi' 'Yang, Wen-Tao' 'Yao, Zheng' 'Wu, Ren-Jun' 'Niu, Cong-Wei' 'Li, Yong-Hong' 'Wang, Jian-Guo' _publ_section_title ; Discovery of ortho-Alkoxy Substituted Novel Sulfonylurea Compounds That Display Strong Herbicidal Activity against Monocotyledon Grasses. ; _journal_name_full 'Journal of agricultural and food chemistry' _journal_paper_doi 10.1021/acs.jafc.1c02081 _journal_year 2021 _chemical_formula_sum 'C15 H17 Cl N4 O5 S' _chemical_formula_weight 400.83 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 86.23(3) _cell_angle_beta 79.99(3) _cell_angle_gamma 73.89(3) _cell_formula_units_Z 2 _cell_length_a 8.5569(17) _cell_length_b 9.1775(18) _cell_length_c 12.041(2) _cell_measurement_reflns_used 2745 _cell_measurement_temperature 113(2) _cell_measurement_theta_max 27.8864 _cell_measurement_theta_min 1.7176 _cell_volume 894.5(3) _computing_cell_refinement crystalclear _computing_data_collection crystalclear _computing_data_reduction crystalclear _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 113(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'rigaku saturn' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0345 _diffrn_reflns_av_unetI/netI 0.0461 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.995 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 10759 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.995 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.844 _diffrn_reflns_theta_min 1.718 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.365 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_correction_T_min 0.8783 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details crystalclear _exptl_crystal_density_diffrn 1.488 _exptl_crystal_F_000 416 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.180 _exptl_crystal_size_min 0.120 _refine_diff_density_max 0.265 _refine_diff_density_min -0.461 _refine_diff_density_rms 0.057 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.070 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 243 _refine_ls_number_reflns 4236 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.071 _refine_ls_R_factor_all 0.0583 _refine_ls_R_factor_gt 0.0426 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0603P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1070 _refine_ls_wR_factor_ref 0.1142 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3179 _reflns_number_total 4236 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jf1c02081_si_001.cif _cod_data_source_block shelxl _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was changed to 'multi-scan' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas ; _cod_database_code 1564222 _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_min 0.931 _shelx_estimated_absorpt_t_max 0.957 _shelx_res_file ; TITL shelxl in P-1 shelxl.res created by SHELXL-2018/3 at 10:56:16 on 11-Dec-2018 CELL 0.71073 8.5569 9.1775 12.0414 86.234 79.992 73.887 ZERR 2.00 0.0017 0.0018 0.0024 0.030 0.030 0.030 LATT 1 SFAC C H N O S Cl UNIT 30 34 8 10 2 2 L.S. 4 ACTA CONF HTAB SIZE 0.20 0.18 0.12 TEMP -160 BOND $H FMAP 2 PLAN 20 DFIX 0.90 0.01 N1 H1 N2 H2 WGHT 0.060300 FVAR 0.93852 MOLE 1 S1 5 0.311004 0.351025 0.858052 11.00000 0.02962 0.02319 = 0.01840 -0.00080 -0.00421 -0.00424 CL1 6 0.365230 -0.084486 0.595643 11.00000 0.05602 0.04325 = 0.04513 -0.00140 -0.01994 -0.01554 O1 4 0.440406 0.025576 0.812867 11.00000 0.03042 0.02187 = 0.03499 -0.00409 -0.01041 -0.00536 O2 4 0.186354 0.285242 0.918219 11.00000 0.02812 0.03460 = 0.02404 0.00161 0.00121 -0.00593 O3 4 0.306063 0.502473 0.881840 11.00000 0.04499 0.02284 = 0.03128 -0.00534 -0.01128 -0.00267 O4 4 0.489663 0.459446 0.646995 11.00000 0.03536 0.03996 = 0.02464 0.00586 -0.01084 -0.01990 O5 4 0.043405 0.356811 0.255928 11.00000 0.04055 0.04056 = 0.02667 -0.00168 -0.01422 -0.00998 N1 3 0.294716 0.339384 0.724700 11.00000 0.02948 0.02511 = 0.01858 0.00148 -0.00651 -0.01192 H1 2 0.221969 0.294569 0.709804 11.00000 -1.20000 N2 3 0.329473 0.404917 0.533443 11.00000 0.02479 0.03088 = 0.01884 0.00173 -0.00571 -0.01058 H2 2 0.382165 0.449674 0.477210 11.00000 -1.20000 N3 3 0.115329 0.286472 0.581724 11.00000 0.02442 0.02408 = 0.02638 -0.00417 -0.00308 -0.00645 N4 3 0.188156 0.381158 0.395029 11.00000 0.02518 0.02567 = 0.02237 -0.00170 -0.00776 -0.00215 C1 1 0.352822 -0.163000 0.735454 11.00000 0.04989 0.03119 = 0.04510 -0.00181 -0.00468 -0.01954 AFIX 23 H1A 2 0.242571 -0.116832 0.779025 11.00000 -1.20000 H1B 2 0.367356 -0.273602 0.732541 11.00000 -1.20000 AFIX 0 C2 1 0.482200 -0.134509 0.792869 11.00000 0.03871 0.02056 = 0.03431 0.00023 -0.00468 -0.00585 AFIX 23 H2A 2 0.486608 -0.192206 0.865198 11.00000 -1.20000 H2B 2 0.591519 -0.167306 0.744702 11.00000 -1.20000 AFIX 0 C3 1 0.549915 0.077619 0.856873 11.00000 0.03023 0.02770 = 0.01876 0.00167 -0.00558 -0.00785 C4 1 0.698526 -0.012027 0.884054 11.00000 0.03316 0.03077 = 0.03027 0.00318 -0.00813 -0.00295 AFIX 43 H4 2 0.728681 -0.118460 0.873316 11.00000 -1.20000 AFIX 0 C5 1 0.802355 0.052985 0.926554 11.00000 0.03241 0.04704 = 0.03246 0.00407 -0.01258 -0.00482 AFIX 43 H5 2 0.902999 -0.010034 0.945476 11.00000 -1.20000 AFIX 0 C6 1 0.763779 0.207604 0.942359 11.00000 0.03600 0.04866 = 0.03019 0.00080 -0.01253 -0.01655 AFIX 43 H6 2 0.837798 0.250972 0.970136 11.00000 -1.20000 AFIX 0 C7 1 0.614484 0.298278 0.916772 11.00000 0.03646 0.03214 = 0.02228 -0.00164 -0.00705 -0.01118 AFIX 43 H7 2 0.585739 0.404655 0.927489 11.00000 -1.20000 AFIX 0 C8 1 0.507419 0.234634 0.875785 11.00000 0.02885 0.02552 = 0.01664 0.00098 -0.00399 -0.00584 C9 1 0.378679 0.404696 0.636311 11.00000 0.02545 0.02159 = 0.02148 -0.00011 -0.00652 -0.00451 C10 1 0.204260 0.353685 0.503969 11.00000 0.02296 0.01983 = 0.02382 -0.00469 -0.00569 -0.00150 C11 1 0.070746 0.332778 0.363355 11.00000 0.02900 0.02555 = 0.02482 -0.00543 -0.00862 0.00009 C12 1 -0.028304 0.257672 0.436249 11.00000 0.02877 0.03108 = 0.03499 -0.00774 -0.00689 -0.00905 AFIX 43 H12 2 -0.109776 0.222084 0.410605 11.00000 -1.20000 AFIX 0 C13 1 -0.003413 0.237377 0.545959 11.00000 0.02772 0.02579 = 0.03177 -0.00538 -0.00299 -0.00627 C14 1 -0.105949 0.164928 0.633805 11.00000 0.04196 0.04480 = 0.03893 -0.00214 -0.00307 -0.02482 AFIX 137 H14A 2 -0.035069 0.098129 0.682685 11.00000 -1.50000 H14B 2 -0.160767 0.105405 0.597055 11.00000 -1.50000 H14C 2 -0.189155 0.243807 0.679201 11.00000 -1.50000 AFIX 0 C15 1 0.128181 0.451931 0.185520 11.00000 0.03653 0.04126 = 0.02286 0.00239 -0.00761 -0.00192 AFIX 137 H15A 2 0.095741 0.553559 0.217378 11.00000 -1.50000 H15B 2 0.099463 0.458594 0.109680 11.00000 -1.50000 H15C 2 0.247398 0.408786 0.181281 11.00000 -1.50000 AFIX 0 HKLF 4 REM shelxl in P-1 REM wR2 = 0.1142, GooF = S = 1.070, Restrained GooF = 1.071 for all data REM R1 = 0.0426 for 3179 Fo > 4sig(Fo) and 0.0583 for all 4236 data REM 243 parameters refined using 2 restraints END WGHT 0.0597 0.0000 REM Instructions for potential hydrogen bonds HTAB N1 N3 EQIV $1 -x+1, -y+1, -z+1 HTAB N2 O4_$1 EQIV $2 x, y-1, z HTAB C1 O4_$2 EQIV $3 -x, -y, -z+1 HTAB C12 Cl1_$3 REM Highest difference peak 0.265, deepest hole -0.461, 1-sigma level 0.057 Q1 1 -0.1014 0.2012 0.5390 11.00000 0.05 0.26 Q2 1 0.4463 -0.0343 0.8013 11.00000 0.05 0.24 Q3 1 0.2240 0.4364 0.3719 11.00000 0.05 0.23 Q4 1 0.4458 0.2868 0.8585 11.00000 0.05 0.23 Q5 1 0.5263 0.1690 0.8570 11.00000 0.05 0.22 Q6 1 0.2935 0.3537 0.7763 11.00000 0.05 0.22 Q7 1 0.1248 0.3842 0.3005 11.00000 0.05 0.21 Q8 1 0.1642 0.3211 0.3757 11.00000 0.05 0.20 Q9 1 -0.0676 0.1783 0.6925 11.00000 0.05 0.20 Q10 1 0.5032 0.0530 0.8383 11.00000 0.05 0.20 Q11 1 0.0024 0.2727 0.5630 11.00000 0.05 0.20 Q12 1 0.0290 0.2263 0.4876 11.00000 0.05 0.20 Q13 1 0.2389 0.3843 0.5244 11.00000 0.05 0.20 Q14 1 0.2736 0.3059 0.7166 11.00000 0.05 0.19 Q15 1 0.1090 0.3349 0.6006 11.00000 0.05 0.19 Q16 1 -0.0794 0.2842 0.4389 11.00000 0.05 0.19 Q17 1 0.7475 0.0861 0.9589 11.00000 0.05 0.19 Q18 1 -0.2134 0.1606 0.6073 11.00000 0.05 0.19 Q19 1 -0.0041 0.6243 0.3152 11.00000 0.05 0.18 Q20 1 0.5786 0.2594 0.8811 11.00000 0.05 0.18 ; _shelx_res_checksum 21448 _shelx_hkl_file ; 0 0 -1 209.38 6.41 0 0 1 195.52 5.76 0 0 1 199.90 6.00 0 0 2 21.17 8.75 0 0 -2 14.79 5.88 0 0 2 18.45 1.79 0 0 -2 17.36 2.93 0 0 2 15.28 1.88 0 0 3 1647.34 22.32 0 0 -3 1685.89 21.89 0 0 -3 1644.28 19.97 0 0 -3 1695.43 21.57 0 0 3 1688.23 21.15 0 0 4 5490.68 60.63 0 0 -4 5580.90 59.26 0 0 5 7.14 3.97 0 0 -5 4.17 1.96 0 0 -5 2.97 2.63 0 0 -5 2.27 3.16 0 0 6 876.30 18.93 0 0 -6 855.59 15.46 0 0 -6 904.00 17.54 0 0 7 44.10 8.66 0 0 -7 48.57 4.50 0 0 -7 47.63 5.17 0 0 8 425.05 25.74 0 0 -8 424.67 13.66 0 0 -8 429.07 16.06 0 0 9 135.12 9.65 0 0 -9 156.41 8.55 0 0 -9 173.69 9.63 0 0 10 42.10 18.45 0 0 -10 42.28 4.49 0 0 -10 46.19 5.84 0 0 11 3.42 4.77 0 0 -11 1.60 2.34 0 0 -11 1.39 2.69 0 0 12 1.56 4.62 0 0 -12 7.41 5.66 0 0 -12 11.11 5.71 0 0 13 9.84 11.08 0 0 -13 14.33 6.06 0 0 -13 6.44 8.63 0 0 14 106.51 10.05 0 0 -14 112.56 8.85 0 0 -14 111.88 21.03 0 0 15 155.81 12.76 0 0 -15 139.49 28.66 0 -1 15 53.41 23.79 0 1 -15 56.20 7.06 0 1 -15 35.68 25.35 0 -1 14 15.32 13.08 0 1 -14 26.22 5.02 0 1 -14 26.54 16.18 0 -1 13 155.63 12.13 0 1 -13 157.69 9.50 0 1 -13 167.76 12.24 0 -1 12 120.69 19.27 0 1 -12 127.92 9.22 0 1 -12 138.01 17.08 0 -1 11 -0.10 5.10 0 1 -11 0.50 4.11 0 1 -11 2.45 5.03 0 -1 10 340.43 17.61 0 1 -10 335.43 22.20 0 1 -10 318.36 14.73 0 -1 9 211.91 13.00 0 1 -9 181.96 9.92 0 1 -9 201.70 10.61 0 -1 8 160.27 15.16 0 1 -8 150.26 7.28 0 1 -8 147.85 7.76 0 -1 7 99.66 8.63 0 1 -7 86.89 5.75 0 1 -7 98.41 14.94 0 -1 6 58.02 5.41 0 1 -6 59.37 9.04 0 1 -6 63.24 8.45 0 -1 5 1314.36 24.67 0 1 -5 1318.40 20.65 0 1 -5 1231.62 20.22 0 -1 4 601.73 12.70 0 1 -4 588.25 11.21 0 -1 3 2982.51 35.89 0 1 -3 2874.64 34.03 0 1 -3 2966.76 33.90 0 1 -3 2933.55 33.88 0 1 -3 2908.70 33.13 0 -1 3 2912.69 33.73 0 1 -2 2491.79 28.64 0 1 -2 2508.10 27.92 0 1 -2 2469.25 27.74 0 1 -2 2408.33 26.96 0 -1 2 2374.36 26.71 0 -1 1 19.22 4.18 0 1 -1 24.94 2.54 0 -1 1 23.16 4.86 0 1 -1 20.20 2.20 0 -1 1 33.11 3.11 0 1 0 725.27 8.86 0 1 1 1864.00 21.07 0 -1 -1 1865.78 21.27 0 1 1 1906.98 21.05 0 -1 -1 1831.13 22.85 0 1 2 2884.04 31.96 0 -1 -2 2759.36 30.74 0 -1 -2 2677.70 29.96 0 1 2 2746.66 30.13 0 1 3 3022.37 35.28 0 -1 -3 3088.06 35.98 0 1 3 3049.62 31.64 0 1 3 2972.83 34.11 0 1 4 834.43 14.51 0 -1 -4 870.36 14.91 0 -1 -4 829.21 11.27 0 1 4 777.33 10.57 0 -1 -4 807.87 16.26 0 1 5 267.23 8.88 0 -1 -5 256.09 5.78 0 -1 -5 252.36 7.52 0 -1 -5 280.97 9.00 0 1 6 1796.08 29.37 0 -1 -6 1791.00 24.11 0 -1 -6 1848.02 25.87 0 -1 -6 1797.64 30.66 0 1 7 249.05 15.94 0 -1 -7 249.29 9.13 0 -1 -7 261.45 11.83 0 1 8 698.94 22.66 0 -1 -8 720.18 19.65 0 -1 -8 754.51 24.10 0 1 9 47.48 6.04 0 -1 -9 54.93 5.18 0 -1 -9 51.18 6.73 0 1 10 104.51 23.03 0 -1 -10 95.72 6.68 0 -1 -10 92.17 7.57 0 1 11 133.02 9.98 0 -1 -11 141.52 7.71 0 -1 -11 154.28 11.14 0 1 12 18.63 14.39 0 -1 -12 14.67 7.15 0 -1 -12 24.54 8.16 0 1 13 114.51 10.20 0 -1 -13 126.95 7.88 0 -1 -13 119.64 19.03 0 1 14 12.07 5.66 0 -1 -14 6.55 7.15 0 1 15 62.73 33.52 0 -1 -15 96.71 13.10 0 -2 15 165.10 23.34 0 2 -15 207.88 14.09 0 2 -15 188.88 15.12 0 -2 14 168.59 20.03 0 2 -14 153.54 10.99 0 2 -14 154.85 26.11 0 2 -13 61.73 7.20 0 2 -13 49.48 25.37 0 -2 12 93.52 10.46 0 2 -12 86.81 18.92 0 2 -12 93.12 8.65 0 -2 11 2.88 5.27 0 2 -11 5.77 5.21 0 2 -11 3.31 3.72 0 -2 10 219.24 20.12 0 2 -10 206.73 12.20 0 2 -10 217.97 17.66 0 -2 9 34.22 15.43 0 2 -9 30.03 11.55 0 2 -9 25.92 12.08 0 -2 8 97.09 8.95 0 2 -8 104.78 8.04 0 2 -8 117.99 15.95 0 -2 7 247.10 28.63 0 2 -7 219.38 10.24 0 2 -7 219.08 7.95 0 -2 6 14.08 4.56 0 2 -6 12.14 6.40 0 2 -6 15.54 6.56 0 -2 5 380.03 15.33 0 2 -5 414.96 10.97 0 2 -5 395.24 9.85 0 -2 4 1099.04 20.27 0 2 -4 1118.47 18.72 0 -2 3 35.51 3.54 0 2 -3 47.45 4.05 0 2 -3 40.86 3.03 0 -2 3 38.32 3.43 0 -2 2 473.08 10.63 0 2 -2 490.16 9.99 0 2 -2 445.91 14.43 0 2 -2 430.70 14.21 0 2 -2 426.13 13.44 0 -2 2 468.19 8.95 0 -2 1 1534.26 20.86 0 2 -1 1494.43 19.77 0 -2 1 1511.62 19.29 0 2 -1 1532.12 18.98 0 2 -1 1547.52 19.09 0 -2 1 1440.47 17.93 0 -2 0 110.11 5.79 0 2 0 103.17 4.70 0 -2 0 107.62 4.54 0 2 0 94.67 3.88 0 -2 0 113.74 4.68 0 2 0 99.00 4.09 0 2 1 400.92 12.81 0 2 1 421.84 13.56 0 -2 -1 371.19 10.96 0 2 1 401.86 11.80 0 -2 -1 378.88 12.15 0 2 1 393.53 12.34 0 2 2 396.80 13.36 0 -2 -2 429.04 14.20 0 2 2 381.66 10.98 0 -2 -2 388.28 13.22 0 2 2 387.62 12.53 0 2 3 852.32 14.37 0 -2 -3 822.78 13.53 0 -2 -3 801.88 14.18 0 2 4 84.23 5.86 0 -2 -4 75.30 2.97 0 2 4 76.56 3.40 0 -2 -4 74.79 4.90 0 2 5 229.74 8.36 0 -2 -5 228.84 5.19 0 2 5 221.95 4.65 0 -2 -5 204.57 9.37 0 2 6 1790.37 23.95 0 -2 -6 1737.48 17.20 0 -2 -6 1787.84 17.12 0 -2 -6 1722.16 23.73 0 2 7 20.51 7.89 0 -2 -7 14.11 1.86 0 -2 -7 15.06 2.20 0 -2 -7 18.79 14.69 0 2 8 7.73 10.42 0 -2 -8 4.77 1.87 0 -2 -8 6.28 5.74 0 2 9 4.76 6.02 0 -2 -9 2.65 3.20 0 -2 -9 4.40 4.24 0 2 10 35.41 15.80 0 -2 -10 26.73 7.57 0 -2 -10 32.94 7.19 0 2 11 12.20 7.56 0 -2 -11 2.09 2.82 0 -2 -11 7.60 5.81 0 2 12 29.48 14.24 0 -2 -12 30.48 15.51 0 -2 -12 36.10 21.92 0 2 13 3.05 4.71 0 -2 -13 2.99 4.69 0 2 14 6.12 5.42 0 -2 -14 11.60 7.75 0 2 15 154.76 23.53 0 -2 -15 124.94 11.28 0 -3 14 13.21 6.88 0 3 -14 9.47 7.51 0 3 -14 4.20 6.24 0 -3 13 233.25 14.87 0 3 -13 244.89 12.65 0 3 -13 247.40 18.37 0 -3 12 17.07 10.67 0 3 -12 10.01 6.22 0 3 -12 12.86 6.35 0 -3 11 4.79 7.14 0 3 -11 6.04 5.50 0 3 -11 2.61 2.63 0 -3 10 2.35 5.76 0 3 -10 4.32 4.09 0 3 -10 1.81 3.15 0 -3 9 1359.87 55.30 0 3 -9 1435.21 53.10 0 3 -9 1378.52 52.51 0 -3 8 245.13 13.36 0 3 -8 263.31 12.12 0 3 -8 309.43 11.13 0 -3 7 60.98 8.77 0 3 -7 68.49 12.83 0 3 -7 65.30 4.91 0 -3 6 23.99 13.14 0 3 -6 26.60 4.13 0 3 -6 21.93 3.34 0 -3 5 113.66 10.83 0 3 -5 95.52 7.68 0 3 -5 95.02 5.19 0 -3 4 157.37 8.98 0 3 -4 155.31 8.05 0 3 -4 137.73 6.25 0 -3 3 10.93 10.75 0 3 -3 13.85 7.50 0 3 -3 15.24 6.82 0 -3 3 11.68 4.06 0 -3 2 2.22 2.63 0 3 -2 1.45 1.97 0 3 -2 2.26 1.81 0 -3 2 1.32 1.91 0 -3 1 360.59 13.35 0 3 -1 395.80 13.66 0 -3 1 397.61 13.13 0 3 -1 346.11 11.54 0 3 -1 387.29 12.53 0 3 -1 396.91 13.13 0 -3 0 1915.47 26.33 0 3 0 2047.88 26.88 0 -3 0 1998.83 24.36 0 3 0 2019.84 24.38 0 -3 0 1910.93 24.30 0 3 0 2012.27 25.29 0 3 1 124.56 5.81 0 3 1 128.79 6.45 0 -3 -1 128.28 6.40 0 3 1 129.52 5.03 0 -3 -1 123.20 5.88 0 3 1 131.22 5.52 0 3 2 79.47 4.54 0 3 2 73.39 4.86 0 -3 -2 67.50 2.83 0 3 2 71.18 2.97 0 -3 -2 66.58 7.61 0 3 2 72.07 4.13 0 3 3 1628.22 24.97 0 -3 -3 1581.42 24.20 0 -3 -3 1638.25 19.10 0 3 3 1594.42 18.87 0 -3 -3 1594.46 24.67 0 3 4 0.67 3.88 0 3 4 1.18 0.49 0 -3 -4 1.12 2.06 0 3 5 971.41 15.96 0 -3 -5 937.28 7.93 0 3 5 924.99 7.10 0 -3 -5 976.93 16.95 0 3 6 187.40 8.94 0 -3 -6 205.66 5.92 0 -3 -6 194.43 6.12 0 -3 -6 217.17 10.75 0 3 7 1129.04 37.01 0 -3 -7 1174.28 26.70 0 -3 -7 1092.02 25.57 0 -3 -7 1186.89 33.60 0 3 8 19.25 6.39 0 -3 -8 17.49 2.06 0 -3 -8 16.44 5.52 0 -3 -8 17.76 8.45 0 3 9 89.50 16.33 0 -3 -9 75.28 4.14 0 -3 -9 83.88 7.38 0 3 10 36.17 7.11 0 -3 -10 45.35 3.77 0 -3 -10 43.18 6.70 0 3 11 97.43 8.63 0 -3 -11 96.07 9.09 0 3 12 86.34 13.76 0 -3 -12 77.12 8.60 0 3 13 19.59 12.71 0 -3 -13 17.09 13.36 0 3 14 201.92 14.32 0 -3 -14 187.66 13.50 0 3 15 55.41 14.96 0 -3 -15 39.45 11.61 0 -4 14 16.86 19.58 0 4 -14 18.25 10.99 0 4 -14 17.21 9.24 0 -4 13 31.25 13.77 0 4 -13 36.69 18.44 0 4 -13 34.25 20.12 0 -4 12 15.99 6.38 0 -4 11 238.18 16.16 0 4 -11 241.19 13.64 0 4 -11 223.06 18.59 0 -4 10 69.26 35.57 0 4 -10 50.11 6.21 0 4 -10 50.12 5.42 0 -4 9 851.06 33.76 0 4 -9 850.46 31.72 0 4 -9 773.70 29.94 0 -4 8 938.71 39.36 0 4 -8 869.09 47.74 0 4 -8 834.24 32.74 0 -4 7 104.67 22.84 0 4 -7 103.58 7.45 0 4 -7 110.65 7.86 0 -4 6 157.31 10.06 0 4 -6 148.40 8.88 0 4 -6 148.98 6.80 0 -4 5 201.73 9.64 0 4 -5 199.53 9.30 0 4 -5 222.36 7.75 0 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26.94 12.78 0 -4 -14 13.72 17.89 0 -5 13 5.15 11.59 0 5 -13 2.36 3.58 0 5 -13 3.99 4.15 0 -5 12 241.02 17.01 0 5 -12 226.28 14.58 0 5 -12 240.11 22.78 0 -5 11 36.19 27.66 0 5 -11 49.55 21.99 0 5 -11 39.57 19.39 0 -5 10 7.08 7.30 0 5 -10 2.39 4.97 0 5 -10 3.95 3.69 0 -5 9 3.92 5.16 0 5 -9 1.45 5.57 0 5 -9 3.50 3.27 0 -5 8 417.71 21.68 0 5 -8 406.69 27.93 0 5 -8 450.97 17.61 0 -5 7 32.91 25.11 0 5 -7 34.65 15.92 0 5 -7 28.95 13.87 0 -5 6 2.80 3.97 0 5 -6 2.93 4.61 0 5 -6 2.50 2.63 0 -5 5 197.03 10.49 0 5 -5 195.45 9.37 0 5 -5 201.44 7.99 0 -5 4 22.49 7.45 0 5 -4 24.16 8.82 0 5 -4 18.02 2.93 0 -5 3 1.60 3.54 0 5 -3 3.93 3.43 0 5 -3 2.19 2.81 0 -5 2 1.15 3.64 0 5 -2 1.39 4.67 0 5 -2 1.59 5.01 0 -5 1 176.55 12.56 0 5 -1 167.72 7.65 0 5 -1 173.20 8.02 0 -5 0 115.38 7.81 0 5 0 121.27 11.86 0 -5 0 110.30 6.56 0 5 1 59.51 4.84 0 -5 -1 70.34 5.47 0 5 2 69.03 4.72 0 5 2 65.82 3.13 0 -5 -2 64.46 5.40 0 5 3 93.07 6.30 0 5 3 76.23 3.52 0 -5 -3 86.71 6.65 0 5 4 723.87 21.92 0 5 4 674.76 16.05 0 5 4 686.32 15.93 0 -5 -4 674.96 21.49 0 5 5 150.31 24.42 0 -5 -5 117.06 7.57 0 5 6 1027.27 23.18 0 -5 -6 964.00 33.93 0 5 7 50.97 7.77 0 -5 -7 46.62 6.16 0 5 8 241.35 13.13 0 -5 -8 244.48 14.85 0 5 9 15.17 6.86 0 -5 -9 13.00 6.81 0 5 10 222.79 16.62 0 -5 -10 207.89 18.16 0 5 11 16.42 11.54 0 -5 -11 15.20 25.77 0 5 12 5.14 4.93 0 -5 -12 5.58 9.53 0 5 13 5.66 7.59 0 -5 -13 11.87 5.51 0 5 14 26.11 5.90 0 -5 -14 19.01 7.88 0 -6 13 15.33 6.41 0 6 -13 5.82 9.54 0 -6 12 6.24 5.77 0 6 -12 5.40 7.16 0 6 -12 5.77 4.20 0 -6 11 1.23 6.39 0 6 -11 4.86 5.57 0 6 -11 2.99 3.41 0 -6 10 23.71 30.89 0 6 -10 36.49 16.02 0 6 -10 22.29 17.43 0 -6 9 64.08 8.28 0 6 -9 75.82 30.82 0 6 -9 81.00 16.22 0 -6 8 94.05 9.39 0 6 -8 99.98 9.10 0 6 -8 112.34 7.37 0 -6 7 153.68 11.72 0 6 -7 154.64 9.60 0 6 -7 162.76 11.68 0 -6 6 205.08 13.31 0 6 -6 216.37 11.15 0 6 -6 238.39 10.70 0 -6 5 96.00 9.07 0 6 -5 89.61 6.95 0 6 -5 94.49 5.51 0 -6 4 287.00 13.55 0 6 -4 315.91 13.38 0 6 -4 292.23 10.08 0 -6 3 2.73 4.17 0 6 -3 1.49 3.67 0 6 -3 2.65 2.86 0 -6 2 2104.48 41.35 0 6 -2 2139.39 28.91 0 6 -2 2126.51 25.90 0 -6 1 252.73 12.52 0 6 -1 236.64 8.91 0 6 -1 249.74 10.60 0 -6 0 47.11 5.83 0 6 0 37.67 4.94 0 -6 0 41.56 3.89 0 6 1 989.86 29.38 0 6 1 989.03 25.24 0 -6 -1 995.34 28.51 0 6 2 31.00 7.24 0 6 2 10.18 1.97 0 -6 -2 13.75 5.28 0 6 3 180.24 19.77 0 6 3 167.01 5.08 0 6 3 164.47 5.12 0 -6 -3 161.75 8.72 0 6 4 117.30 7.85 0 6 4 118.81 5.17 0 6 4 116.93 5.38 0 -6 -4 118.89 8.39 0 6 5 596.48 17.46 0 6 5 559.01 7.51 0 6 5 592.01 7.72 0 -6 -5 563.21 21.75 0 6 6 44.22 16.13 0 -6 -6 42.83 11.34 0 6 7 204.30 11.09 0 -6 -7 193.76 11.84 0 6 8 334.39 13.27 0 -6 -8 322.83 30.09 0 6 9 19.77 4.82 0 -6 -9 11.30 7.16 0 6 10 13.43 12.13 0 -6 -10 26.04 19.50 0 6 11 14.66 10.94 0 -6 -11 20.01 9.80 0 6 12 12.59 14.52 0 -6 -12 21.20 19.52 0 6 13 157.15 21.06 0 -6 -13 157.62 13.61 0 7 -12 18.24 10.01 0 -7 11 336.64 21.04 0 7 -11 331.95 17.95 0 -7 10 61.13 10.63 0 7 -10 41.26 22.02 0 -7 9 269.60 34.42 0 7 -9 290.06 15.64 0 7 -9 288.84 11.11 0 -7 8 566.93 23.67 0 7 -8 519.55 19.15 0 7 -8 535.69 16.39 0 -7 7 188.09 13.76 0 7 -7 206.05 12.00 0 7 -7 219.25 11.57 0 -7 6 103.48 9.51 0 7 -6 136.73 20.42 0 7 -6 122.66 6.49 0 -7 5 27.30 14.66 0 7 -5 26.10 14.06 0 7 -5 27.50 14.01 0 -7 4 167.36 10.45 0 7 -4 192.72 11.00 0 7 -4 188.14 8.30 0 -7 3 17.35 5.85 0 7 -3 18.86 8.06 0 7 -3 17.19 4.29 0 -7 2 14.51 5.28 0 7 -2 9.70 3.29 0 7 -2 12.94 3.83 0 -7 1 84.00 7.18 0 7 -1 88.85 6.42 0 7 -1 90.08 6.67 0 -7 0 314.46 13.14 0 7 0 295.26 10.33 0 7 0 301.70 11.31 0 7 1 57.65 7.21 0 7 1 64.97 4.70 0 -7 -1 64.99 7.12 0 7 2 24.97 4.23 0 7 2 29.24 9.12 0 -7 -2 27.44 4.43 0 7 3 162.20 9.29 0 7 3 180.36 5.68 0 -7 -3 159.45 10.82 0 7 4 69.85 9.01 0 7 4 67.55 3.19 0 -7 -4 63.19 6.36 0 7 5 22.36 4.75 0 -7 -5 28.77 12.93 0 7 6 17.67 4.09 0 -7 -6 11.59 10.59 0 7 7 420.78 17.18 0 -7 -7 398.93 27.30 0 7 8 77.30 7.60 0 -7 -8 61.21 8.07 0 7 9 1.36 3.50 0 -7 -9 2.44 6.07 0 7 10 50.83 18.17 0 -7 -10 55.99 18.12 0 7 11 177.21 11.96 0 -7 -11 137.90 15.51 0 7 12 3.81 3.73 0 -7 -12 5.89 7.89 0 -8 11 20.34 12.06 0 8 -11 32.73 14.13 0 -8 10 65.86 11.53 0 8 -10 76.01 9.09 0 -8 9 415.99 22.08 0 8 -9 347.52 16.81 0 -8 8 143.78 12.82 0 8 -8 140.18 20.01 0 -8 7 64.20 8.74 0 8 -7 59.39 25.62 0 -8 6 183.74 14.10 0 8 -6 189.22 16.49 0 -8 5 130.11 11.27 0 8 -5 118.03 8.58 0 8 -5 121.04 7.15 0 -8 4 4.27 4.25 0 8 -4 10.67 4.79 0 8 -4 4.60 2.87 0 -8 3 457.60 18.60 0 8 -3 411.91 14.41 0 8 -3 414.23 12.55 0 -8 2 204.74 14.18 0 8 -2 221.16 13.17 0 8 -2 237.49 13.70 0 -8 1 8.22 7.53 0 8 -1 5.48 3.17 0 8 -1 4.75 2.42 0 -8 0 40.94 22.88 0 8 0 46.33 16.01 0 8 0 43.48 4.95 0 8 1 3.75 2.74 0 8 1 1.09 2.73 0 -8 -1 -0.02 2.66 0 8 2 264.27 15.53 0 8 2 278.74 18.02 0 -8 -2 235.67 21.38 0 8 3 6.60 4.14 0 8 3 7.95 5.75 0 -8 -3 9.85 9.58 0 8 4 13.13 3.52 0 -8 -4 14.65 7.17 0 8 5 15.34 10.20 0 -8 -5 16.37 11.26 0 8 6 382.52 18.29 0 -8 -6 325.49 23.61 0 8 7 9.60 4.39 0 -8 -7 8.41 4.15 0 8 8 1.97 2.23 0 -8 -8 1.44 4.33 0 8 9 37.90 16.62 0 -8 -9 31.44 17.10 0 8 10 67.25 7.62 0 -8 -10 46.04 30.65 0 -8 -11 5.88 8.97 0 -9 9 15.06 6.24 0 9 -9 3.07 4.97 0 -9 8 19.64 9.86 0 9 -8 16.21 8.94 0 -9 7 9.74 5.30 0 9 -7 7.79 8.60 0 -9 6 147.05 12.63 0 9 -6 118.35 17.53 0 -9 5 76.66 9.00 0 9 -5 53.19 24.18 0 -9 4 32.67 9.34 0 9 -4 32.35 19.23 0 -9 3 51.85 28.18 0 9 -3 76.12 21.03 0 -9 2 35.04 19.52 0 9 -2 30.30 6.31 0 -9 1 -0.26 3.15 0 9 -1 2.29 2.59 0 9 -1 3.59 2.84 0 9 0 0.71 3.16 0 9 0 1.77 2.62 0 9 0 6.96 4.29 0 9 1 35.98 5.70 0 9 1 35.37 10.17 0 9 1 42.31 5.50 0 9 2 23.16 4.14 0 9 2 23.97 6.02 0 -9 -2 32.93 5.19 0 9 3 1.54 4.08 0 -9 -3 1.34 3.99 0 9 4 33.27 6.49 0 -9 -4 24.96 13.10 0 9 5 99.57 12.06 0 -9 -5 109.15 8.48 0 9 6 46.02 5.74 0 -9 -6 42.74 6.11 0 9 7 10.34 8.30 0 -9 -7 3.86 6.54 0 -9 -8 127.07 12.40 0 -9 -9 5.90 6.69 0 -9 -10 3.16 4.39 0 -10 7 3.63 3.99 0 10 -7 5.94 7.01 0 -10 6 40.19 21.73 0 10 -6 38.71 18.59 0 -10 5 1.80 5.28 0 -10 4 2.82 4.75 0 10 -4 2.30 4.62 0 -10 3 35.33 24.37 0 10 -3 32.10 13.64 0 -10 2 162.10 23.19 0 10 -2 154.06 26.00 0 10 -1 19.21 10.69 0 10 0 51.90 6.34 0 10 0 54.16 13.65 0 10 1 5.76 2.93 0 10 2 12.43 3.28 0 10 3 66.42 6.83 0 -10 -3 48.17 27.62 0 10 4 41.11 5.01 0 -10 -4 63.73 12.79 0 -10 -5 46.10 7.11 0 -10 -6 82.56 8.66 0 -10 -7 30.50 24.33 0 -10 -8 5.11 4.94 0 -11 4 18.30 16.72 0 11 -4 12.44 13.98 0 -11 3 0.57 6.14 0 11 -3 5.08 3.46 0 -11 2 25.82 26.72 0 11 -2 22.90 15.26 0 11 -1 0.83 4.42 0 11 0 19.35 7.81 0 11 1 9.93 3.43 -1 11 3 2.68 5.27 -1 11 2 5.94 6.36 -1 11 1 9.26 3.37 -1 11 0 2.39 4.98 -1 11 -1 3.28 6.32 -1 11 -2 4.43 3.23 1 -11 3 4.58 8.89 -1 11 -3 4.67 4.42 -1 10 6 14.31 16.21 -1 10 5 2.47 3.38 -1 10 4 5.34 3.10 -1 10 3 27.02 4.74 -1 10 2 9.68 3.48 -1 10 1 11.70 4.29 -1 10 0 0.16 2.44 -1 10 -1 2.97 5.77 -1 10 -1 3.85 5.05 1 -10 2 259.20 15.78 -1 10 -2 234.43 11.18 1 -10 3 14.54 12.28 -1 10 -3 9.56 9.55 1 -10 4 1.54 3.08 -1 10 -4 10.41 9.03 1 -10 5 12.42 5.02 -1 10 -5 4.14 3.88 1 -10 6 98.28 13.99 -1 10 -6 88.71 13.96 -1 9 9 24.04 6.99 1 -9 -9 21.75 17.42 -1 9 8 53.13 7.08 1 -9 -8 33.88 29.29 -1 9 7 30.35 9.09 1 -9 -7 23.13 18.96 -1 9 6 12.78 4.61 1 -9 -6 8.39 6.52 -1 9 5 23.24 8.45 1 -9 -5 16.93 11.58 -1 9 4 4.30 2.77 1 -9 -4 2.22 4.32 -1 9 3 35.31 5.20 1 -9 -3 48.54 6.06 -1 9 2 -1.60 3.06 1 -9 -2 1.17 1.95 -1 9 1 25.80 4.85 -1 9 1 11.04 8.84 -1 9 0 108.52 8.85 -1 9 0 111.00 10.57 -1 9 -1 49.80 11.40 1 -9 2 12.42 6.27 -1 9 -2 12.77 5.11 1 -9 3 42.34 22.63 -1 9 -3 40.83 10.45 1 -9 4 65.71 12.47 -1 9 -4 58.48 8.92 1 -9 5 13.77 14.76 -1 9 -5 16.65 6.59 1 -9 6 3.23 8.90 -1 9 -6 3.52 4.53 1 -9 7 -1.68 4.74 -1 9 -7 -0.53 5.37 1 -9 8 234.62 16.27 -1 9 -8 266.73 14.45 1 -9 9 13.68 10.20 -1 9 -9 24.56 14.47 -1 8 10 25.07 21.55 1 -8 -10 23.14 9.38 -1 8 9 27.64 6.30 1 -8 -9 17.53 18.79 -1 8 8 16.55 8.19 1 -8 -8 11.32 8.47 -1 8 7 100.27 10.50 1 -8 -7 76.02 15.36 -1 8 6 193.26 11.84 1 -8 -6 170.69 16.42 -1 8 5 41.09 10.56 1 -8 -5 37.78 21.67 -1 8 4 14.93 3.59 1 -8 -4 10.41 7.13 -1 8 3 29.09 17.09 1 -8 -3 17.65 8.72 -1 8 2 57.99 6.98 -1 8 2 62.50 4.36 1 -8 -2 62.78 6.12 -1 8 1 102.93 9.36 -1 8 1 99.58 5.51 1 -8 -1 102.90 8.01 -1 8 0 4.55 3.48 -1 8 0 2.21 2.69 -1 8 0 1.72 2.34 1 -8 1 407.56 17.21 -1 8 -1 363.29 18.46 -1 8 -1 369.64 10.80 1 -8 2 311.15 22.96 -1 8 -2 315.12 20.68 1 -8 3 202.33 30.20 -1 8 -3 174.48 9.64 1 -8 4 10.77 13.42 -1 8 -4 12.42 7.28 1 -8 5 123.00 23.02 -1 8 -5 111.57 24.90 1 -8 6 123.06 13.56 -1 8 -6 160.70 12.28 1 -8 7 31.98 23.79 -1 8 -7 28.58 8.65 1 -8 8 100.06 20.37 -1 8 -8 122.23 18.12 1 -8 9 5.65 8.37 -1 8 -9 6.65 6.27 1 -8 10 3.02 6.05 -1 8 -10 5.10 6.34 -1 7 11 41.91 19.14 1 -7 -11 64.21 20.87 -1 7 10 106.38 30.92 1 -7 -10 114.63 16.97 -1 7 9 63.98 14.59 1 -7 -9 65.67 27.12 -1 7 8 88.29 8.28 1 -7 -8 89.99 8.46 -1 7 7 92.13 8.87 1 -7 -7 88.04 13.24 -1 7 6 229.85 21.79 1 -7 -6 225.24 12.35 -1 7 5 49.44 24.87 1 -7 -5 55.24 11.35 -1 7 4 385.14 23.06 1 -7 -4 352.60 19.11 -1 7 3 4.45 4.18 -1 7 3 2.61 3.68 1 -7 -3 6.76 2.71 -1 7 2 119.76 8.85 -1 7 2 131.09 5.20 1 -7 -2 131.17 7.32 -1 7 1 59.02 6.15 -1 7 1 49.84 9.04 1 -7 -1 50.84 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25.03 1.27 1 -6 -4 32.56 9.33 -1 6 3 215.46 11.82 -1 6 3 242.04 7.29 -1 6 3 228.07 7.06 1 -6 -3 214.25 14.14 -1 6 2 1072.47 27.81 -1 6 2 1041.09 19.57 1 -6 -2 1026.84 26.98 -1 6 1 1218.11 30.08 -1 6 1 1227.11 24.70 1 -6 -1 1144.06 22.07 1 -6 0 124.01 8.59 -1 6 0 125.25 12.78 1 -6 0 112.38 9.99 1 -6 1 16.84 7.61 -1 6 -1 15.78 6.39 -1 6 -1 10.17 5.87 -1 6 -1 13.06 2.67 1 -6 2 765.44 22.31 -1 6 -2 773.45 17.83 -1 6 -2 719.23 14.40 -1 6 -2 812.55 16.05 1 -6 3 125.70 9.30 -1 6 -3 138.07 8.45 -1 6 -3 126.24 6.54 -1 6 -3 136.56 5.84 1 -6 4 331.74 15.18 -1 6 -4 293.28 10.98 -1 6 -4 314.64 8.33 1 -6 5 7.52 5.46 -1 6 -5 3.96 4.77 -1 6 -5 6.59 3.65 1 -6 6 44.19 8.67 -1 6 -6 46.17 21.12 -1 6 -6 51.51 4.70 1 -6 7 4.47 6.02 -1 6 -7 -0.49 6.26 -1 6 -7 4.06 2.14 1 -6 8 1329.14 40.15 -1 6 -8 1439.12 30.33 -1 6 -8 1364.80 19.52 1 -6 9 11.54 12.05 -1 6 -9 5.00 3.69 -1 6 -9 3.42 3.09 1 -6 10 13.74 10.72 -1 6 -10 23.41 8.38 1 -6 11 59.31 8.78 -1 6 -11 41.51 20.00 1 -6 12 80.01 26.74 -1 6 -12 60.78 33.31 1 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5.42 1 11 -4 23.61 5.14 -1 -11 3 117.27 13.39 1 11 -3 85.22 19.95 -1 -11 2 64.27 22.16 1 11 -2 57.21 6.86 1 11 -1 17.58 4.43 1 11 -1 6.83 5.63 1 11 0 5.16 3.80 -1 -11 -4 3.73 6.78 -1 -11 -5 62.23 14.94 -1 -11 -6 1.04 2.26 -2 10 5 2.34 3.77 -2 10 4 3.29 2.28 -2 10 3 2.49 3.09 -2 10 2 42.69 6.40 -2 10 1 8.21 3.68 -2 10 0 109.27 10.13 -2 10 -1 122.58 11.25 -2 10 -2 5.32 3.65 -2 10 -2 3.94 3.22 2 -10 3 4.31 10.98 -2 10 -3 13.86 4.76 2 -10 4 11.80 10.85 -2 10 -4 10.40 11.52 2 -10 5 38.84 25.96 -2 10 -5 30.60 22.39 -2 9 8 5.22 6.64 2 -9 -8 3.94 4.42 -2 9 7 67.83 9.68 2 -9 -7 49.74 7.50 -2 9 6 1.62 4.36 -2 9 5 5.14 2.96 -2 9 4 61.03 7.63 -2 9 3 47.66 29.43 -2 9 2 6.45 3.60 -2 9 1 30.45 6.55 -2 9 0 56.62 11.98 -2 9 -1 13.87 8.46 -2 9 -1 13.40 3.08 -2 9 -2 1.14 3.42 2 -9 3 11.56 10.36 -2 9 -3 12.58 3.71 2 -9 4 65.07 35.35 -2 9 -4 46.87 9.21 2 -9 5 3.72 2.63 -2 9 -5 4.72 6.60 2 -9 6 6.19 6.75 -2 9 -6 3.92 3.98 2 -9 7 225.44 16.34 -2 9 -7 304.52 16.27 2 -9 8 1.82 4.27 -2 9 -8 3.68 5.19 -2 8 9 60.67 8.22 2 -8 -9 53.31 20.97 -2 8 8 1.28 2.39 2 -8 -8 2.24 3.50 -2 8 7 9.38 7.44 2 -8 -7 7.47 5.77 -2 8 6 120.82 9.71 2 -8 -6 123.39 9.47 -2 8 5 95.36 13.53 2 -8 -5 109.46 8.97 -2 8 4 75.19 13.17 2 -8 -4 77.80 7.36 -2 8 3 19.88 15.07 2 -8 -3 24.36 4.50 -2 8 2 48.12 20.56 2 -8 -2 61.58 5.67 -2 8 1 258.27 14.05 -2 8 1 275.91 16.27 -2 8 0 19.83 5.74 -2 8 0 16.73 7.86 -2 8 -1 5.78 4.07 -2 8 -1 2.79 2.87 2 -8 2 192.92 12.75 -2 8 -2 192.44 9.44 2 -8 3 4.02 5.76 -2 8 -3 3.07 2.76 2 -8 4 107.11 24.48 -2 8 -4 98.56 8.08 2 -8 5 5.85 5.43 -2 8 -5 0.25 2.34 2 -8 6 4.80 6.96 -2 8 -6 8.50 4.20 2 -8 7 57.63 9.50 -2 8 -7 52.79 31.39 2 -8 8 246.80 19.05 -2 8 -8 285.17 25.63 2 -8 9 7.10 11.21 -2 8 -9 16.35 8.28 2 -8 10 21.04 7.51 -2 8 -10 18.52 19.49 -2 7 11 6.92 7.01 2 -7 -11 3.42 6.82 -2 7 10 22.99 20.45 2 -7 -10 33.35 21.94 -2 7 9 7.02 5.66 2 -7 -9 1.38 4.88 -2 7 8 124.34 10.65 2 -7 -8 95.64 27.49 -2 7 7 128.18 24.48 2 -7 -7 135.20 9.71 -2 7 6 282.53 15.59 2 -7 -6 263.96 13.07 -2 7 5 3.69 3.73 2 -7 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157.59 9.35 -2 6 3 203.28 18.12 -2 6 3 191.39 5.16 2 -6 -3 174.70 8.00 -2 6 2 162.10 10.90 -2 6 2 158.51 5.47 2 -6 -2 159.09 11.49 -2 6 1 63.85 7.87 -2 6 1 68.28 9.76 2 -6 -1 71.26 4.88 -2 6 0 1045.16 28.00 -2 6 0 1052.82 27.23 2 -6 0 1052.20 20.75 2 -6 1 463.67 19.20 -2 6 -1 525.90 16.48 -2 6 -1 487.37 10.05 2 -6 2 358.83 16.03 -2 6 -2 399.86 12.98 -2 6 -2 368.84 7.47 2 -6 3 933.89 39.62 -2 6 -3 948.18 35.53 -2 6 -3 947.22 31.19 2 -6 4 421.81 22.29 -2 6 -4 387.59 32.14 2 -6 5 339.94 18.33 -2 6 -5 363.63 16.71 2 -6 6 19.17 8.00 -2 6 -6 20.98 10.17 2 -6 7 285.72 17.80 -2 6 -7 252.31 12.87 2 -6 8 9.17 9.38 -2 6 -8 6.48 4.04 2 -6 9 16.04 6.74 -2 6 -9 13.91 8.70 2 -6 10 9.69 9.34 -2 6 -10 5.41 6.90 2 -6 11 7.81 6.08 -2 6 -11 4.99 4.30 2 -6 12 10.45 6.26 -2 6 -12 4.74 5.17 -2 5 12 4.16 4.63 2 -5 -12 1.00 3.38 -2 5 11 34.66 9.92 2 -5 -11 31.91 23.09 -2 5 10 13.47 5.62 2 -5 -10 14.56 11.59 -2 5 9 208.00 12.81 2 -5 -9 191.30 12.05 -2 5 8 -1.05 5.57 2 -5 -8 2.27 1.87 -2 5 7 397.35 25.28 2 -5 -7 420.49 22.32 -2 5 6 71.28 9.62 2 -5 -6 59.76 7.23 -2 5 5 112.95 9.23 2 -5 -5 124.80 8.30 -2 5 4 482.75 17.21 2 -5 -4 471.68 13.93 -2 5 3 162.35 19.25 -2 5 3 139.74 3.91 -2 5 3 135.22 3.81 2 -5 -3 126.65 8.54 -2 5 2 68.26 8.07 -2 5 2 48.46 2.76 -2 5 2 60.65 3.42 2 -5 -2 53.07 5.54 -2 5 1 1914.87 36.64 -2 5 1 1971.40 22.49 2 -5 -1 1823.77 44.45 -2 5 0 52.77 7.04 -2 5 0 48.59 7.15 2 -5 0 43.31 3.50 -2 5 0 40.13 2.15 2 -5 1 265.23 12.99 -2 5 -1 300.48 10.98 -2 5 -1 276.99 8.15 -2 5 -1 277.75 8.16 2 -5 2 249.48 14.08 -2 5 -2 270.65 9.74 -2 5 -2 252.90 4.12 -2 5 -2 263.83 4.76 2 -5 3 58.21 9.94 -2 5 -3 49.98 6.41 -2 5 -3 47.90 1.35 -2 5 -3 55.85 1.43 2 -5 4 87.92 8.13 -2 5 -4 85.42 7.78 -2 5 -4 83.53 2.63 -2 5 -4 91.36 2.36 2 -5 5 86.93 22.75 -2 5 -5 85.55 14.78 -2 5 -5 70.67 5.56 -2 5 -5 84.16 3.51 -2 5 -6 42.02 18.89 -2 5 -6 44.84 4.06 2 -5 7 101.13 9.54 -2 5 -7 121.64 29.16 -2 5 -7 84.52 4.03 2 -5 8 21.28 7.01 -2 5 -8 23.17 9.65 -2 5 -8 18.34 11.01 2 -5 9 360.91 19.53 -2 5 -9 361.42 15.82 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5.72 2 -3 -6 1.29 2.52 -2 3 5 131.41 9.73 2 -3 -5 155.73 7.92 -2 3 4 30.89 18.78 2 -3 -4 25.37 3.29 -2 3 3 75.07 7.40 -2 3 3 73.69 2.83 2 -3 -3 69.79 2.83 2 -3 -3 71.77 4.61 -2 3 2 269.11 10.16 -2 3 2 273.77 5.97 2 -3 -2 289.98 5.63 2 -3 -2 275.87 7.85 -2 3 1 1.87 3.67 -2 3 1 0.51 1.54 2 -3 -1 0.55 0.90 2 -3 -1 -0.26 1.22 -2 3 1 1.24 1.22 -2 3 0 499.30 13.94 -2 3 0 537.69 10.77 2 -3 0 510.36 8.47 2 -3 1 355.58 11.50 -2 3 -1 384.60 9.15 -2 3 -1 341.09 4.46 2 -3 2 14.17 8.13 -2 3 -2 13.55 7.06 2 -3 3 160.20 9.24 -2 3 -3 176.55 8.74 -2 3 -3 144.63 4.51 -2 3 -3 158.57 4.78 2 -3 4 123.79 8.89 -2 3 -4 117.14 7.27 -2 3 -4 124.38 4.49 2 -3 4 122.61 4.61 2 -3 5 2193.58 32.77 -2 3 -5 2164.86 34.79 2 -3 6 726.60 24.97 -2 3 -6 766.50 23.64 -2 3 -6 771.12 20.52 2 -3 7 7.22 7.15 -2 3 -7 7.06 7.00 -2 3 -7 10.59 5.45 2 -3 8 402.37 16.62 -2 3 -8 430.41 15.23 -2 3 -8 428.20 11.39 2 -3 9 151.01 26.32 -2 3 -9 122.61 10.01 -2 3 -9 132.15 7.03 2 -3 10 162.48 16.02 -2 3 -10 155.03 9.80 -2 3 -10 154.36 12.13 2 -3 11 3.49 7.18 -2 3 -11 2.46 6.45 -2 3 -11 4.63 2.58 2 -3 12 90.31 17.85 -2 3 -12 72.40 32.34 -2 3 -12 90.56 25.91 2 -3 13 5.50 9.77 -2 3 -13 4.43 4.77 -2 3 -13 1.91 3.87 2 -3 14 270.22 18.00 -2 3 -14 262.46 16.19 -2 3 -14 227.31 27.81 -2 2 14 35.48 7.82 2 -2 -14 15.96 14.92 -2 2 13 47.25 8.22 2 -2 -13 43.80 6.99 -2 2 12 4.25 6.46 2 -2 -12 1.67 6.04 -2 2 11 148.40 11.44 2 -2 -11 146.56 27.73 -2 2 10 148.59 15.37 2 -2 -10 130.81 5.02 2 -2 -10 135.51 9.87 -2 2 9 220.83 14.01 2 -2 -9 229.83 9.69 2 -2 -9 231.07 14.75 -2 2 8 74.19 8.09 2 -2 -8 69.95 4.76 2 -2 -8 76.16 4.55 2 -2 -8 89.25 8.64 -2 2 7 25.90 10.27 2 -2 -7 21.52 2.93 2 -2 -7 25.25 3.90 2 -2 -7 28.82 4.96 -2 2 6 -4.74 6.06 2 -2 -6 1.55 1.25 2 -2 -6 0.85 1.26 2 -2 -6 4.35 4.70 -2 2 5 128.43 8.36 2 -2 -5 120.39 4.64 2 -2 -5 129.23 7.08 -2 2 4 322.63 13.92 -2 2 4 327.00 8.80 2 -2 -4 316.89 9.13 2 -2 -4 327.72 11.75 -2 2 3 794.63 19.63 -2 2 3 771.51 10.89 2 -2 -3 756.72 10.75 -2 2 2 9.85 3.13 -2 2 2 12.98 1.60 2 -2 -2 11.14 1.23 2 -2 -2 11.91 5.60 -2 2 2 15.09 6.66 -2 2 1 1875.09 28.64 -2 2 1 1834.67 22.56 2 -2 -1 1858.35 22.49 2 -2 -1 1823.27 22.46 -2 2 1 1800.12 21.73 -2 2 0 25.54 4.05 -2 2 0 25.81 2.66 2 -2 0 22.60 2.09 2 -2 0 24.94 1.53 -2 2 0 21.53 1.50 2 -2 1 1999.33 29.39 -2 2 -1 1955.75 25.71 2 -2 1 1993.20 25.11 2 -2 2 1230.53 21.45 -2 2 -2 1196.05 19.84 2 -2 3 457.41 12.87 -2 2 -3 492.93 11.08 -2 2 -3 458.71 7.02 2 -2 3 462.28 6.92 2 -2 4 332.36 11.56 -2 2 -4 340.66 10.20 -2 2 -4 344.55 6.83 2 -2 4 327.12 6.39 2 -2 5 13.32 3.76 -2 2 -5 10.28 7.73 -2 2 -5 12.35 5.96 2 -2 5 11.82 1.55 2 -2 6 1385.40 25.59 -2 2 -6 1313.61 27.32 -2 2 -6 1346.96 19.77 2 -2 7 290.25 13.48 -2 2 -7 348.00 13.70 -2 2 -7 312.93 11.46 2 -2 8 26.94 4.90 -2 2 -8 19.81 14.16 -2 2 -8 20.03 8.47 2 -2 9 189.09 29.60 -2 2 -9 167.10 9.56 -2 2 -9 176.17 11.13 2 -2 10 60.17 10.33 -2 2 -10 37.68 21.00 -2 2 -10 35.41 15.06 2 -2 11 56.97 9.35 -2 2 -11 47.15 20.53 -2 2 -11 47.33 20.11 2 -2 12 10.34 5.16 -2 2 -12 5.16 7.69 -2 2 -12 3.12 3.07 2 -2 13 6.70 5.56 -2 2 -13 3.02 5.53 -2 2 -13 2.19 2.05 2 -2 14 152.35 15.25 -2 2 -14 143.71 10.73 -2 2 -14 152.33 25.71 2 -2 15 6.87 7.71 -2 2 -15 10.15 9.37 -2 2 -15 10.65 4.42 -2 1 14 4.70 4.43 2 -1 -14 -2.29 6.39 -2 1 13 117.61 12.48 2 -1 -13 106.91 12.00 -2 1 12 66.20 9.44 2 -1 -12 77.67 34.69 -2 1 11 4.93 5.26 2 -1 -11 1.39 2.01 2 -1 -11 5.01 2.95 -2 1 10 398.56 23.88 2 -1 -10 410.36 20.83 2 -1 -10 366.13 20.29 -2 1 9 814.05 51.73 2 -1 -9 904.97 31.66 2 -1 -9 880.17 31.66 -2 1 8 0.06 5.34 2 -1 -8 3.44 1.45 2 -1 -8 5.60 8.23 -2 1 7 7.81 5.59 2 -1 -7 13.31 5.63 2 -1 -7 13.32 7.38 -2 1 6 31.90 6.28 2 -1 -6 33.00 6.24 2 -1 -6 32.96 4.19 -2 1 5 163.99 9.93 -2 1 5 159.28 5.77 2 -1 -5 151.15 8.84 2 -1 -5 165.17 8.04 -2 1 4 175.17 9.72 -2 1 4 187.08 7.59 2 -1 -4 187.15 7.00 2 -1 -4 201.95 9.04 -2 1 3 515.26 13.31 -2 1 3 491.99 8.56 2 -1 -3 463.80 8.37 2 -1 -3 532.42 11.67 -2 1 2 1092.32 18.95 -2 1 2 1054.34 14.30 2 -1 -2 1092.10 14.42 -2 1 2 1119.89 16.78 -2 1 1 1110.78 18.55 -2 1 1 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16.48 9 7 4 36.73 8.54 -9 -7 -5 119.89 10.21 9 7 5 113.21 13.14 -9 -7 -6 23.99 15.63 9 7 6 25.95 10.25 -9 -7 -7 5.04 4.05 9 7 7 13.64 10.47 -9 -7 -8 40.55 18.93 9 7 8 60.69 12.21 -9 -7 -9 77.17 9.51 -9 -7 -9 83.22 10.20 -9 -8 3 25.21 6.60 9 8 -3 6.06 8.21 -9 -8 2 18.51 6.52 9 8 -2 17.67 9.02 -9 -8 1 2.04 3.97 9 8 -1 2.78 7.27 -9 -8 0 58.34 7.79 9 8 0 51.13 8.84 -9 -8 -1 1.80 3.54 9 8 1 8.94 7.04 -9 -8 -2 18.56 4.99 9 8 2 11.76 7.82 -9 -8 -3 6.95 3.76 9 8 3 10.25 9.32 -9 -8 -4 10.46 4.78 9 8 4 7.72 9.52 -9 -8 -5 2.84 3.37 9 8 5 5.96 7.03 -9 -8 -6 2.39 4.59 9 8 6 6.80 7.85 -9 -8 -7 3.17 3.97 9 8 7 3.81 7.59 -9 -8 -8 63.70 8.87 9 8 8 86.66 12.95 -9 -9 1 25.88 5.66 9 9 -1 50.53 11.04 -9 -9 0 1.56 4.06 9 9 0 3.55 7.67 -9 -9 -1 0.26 3.23 9 9 1 5.80 10.32 -9 -9 -2 9.84 4.74 9 9 2 8.63 9.29 -9 -9 -3 73.01 25.67 9 9 3 85.60 13.70 -9 -9 -4 3.57 3.05 9 9 4 8.96 7.18 -9 -9 -5 19.46 5.04 9 9 5 16.30 7.12 -9 -9 -6 69.23 8.20 9 9 6 81.44 11.64 -10 2 0 8.25 7.35 -10 2 -1 -0.05 3.16 -10 2 -1 1.85 4.81 -10 2 -2 62.59 9.20 -10 2 -2 52.48 9.35 -10 2 -3 39.21 7.95 -10 2 -3 28.63 9.17 -10 2 -4 -0.05 2.90 -10 2 -4 4.39 3.47 -10 1 2 3.91 3.68 -10 1 2 -0.01 1.74 -10 1 1 90.07 11.25 -10 1 1 72.08 18.79 -10 1 0 12.19 5.94 -10 1 0 8.45 10.14 -10 1 -1 29.27 7.11 -10 1 -1 31.62 5.98 -10 1 -2 0.56 2.87 -10 1 -2 4.49 3.48 -10 1 -3 155.73 13.08 -10 1 -3 134.04 11.50 -10 1 -4 45.48 21.18 -10 1 -4 50.56 7.70 -10 1 -5 6.99 4.12 -10 1 -5 7.47 4.08 -10 1 -6 27.99 5.93 -10 1 -6 33.96 6.70 -10 1 -7 55.38 9.12 -10 1 -7 56.38 8.99 -10 0 3 29.95 24.09 -10 0 3 34.53 5.19 10 0 -3 37.59 20.15 -10 0 2 4.02 8.51 -10 0 2 0.97 2.89 10 0 -2 3.99 6.52 -10 0 1 0.17 6.33 -10 0 1 3.96 3.51 -10 0 0 93.79 13.36 -10 0 0 106.21 9.23 -10 0 -1 4.16 7.35 -10 0 -1 5.31 3.89 -10 0 -2 59.02 12.46 -10 0 -2 52.40 10.71 -10 0 -3 4.73 3.89 -10 0 -3 0.89 3.85 -10 0 -4 129.50 10.94 -10 0 -4 128.54 13.28 -10 0 -5 78.43 16.57 -10 0 -5 80.97 8.85 -10 0 -6 33.78 24.16 -10 0 -6 33.24 7.66 -10 0 -7 8.02 4.64 -10 0 -7 3.22 7.71 -10 0 -8 13.57 9.27 -10 0 -8 48.64 9.84 -10 -1 4 6.23 7.31 -10 -1 4 1.68 2.09 10 1 -4 -2.07 4.84 -10 -1 3 80.55 11.34 -10 -1 3 71.19 8.56 10 1 -3 72.92 16.97 -10 -1 2 7.20 8.85 -10 -1 2 1.74 3.68 10 1 -2 3.09 5.73 -10 -1 1 34.16 25.70 -10 -1 1 53.44 6.69 10 1 -1 51.76 8.73 -10 -1 0 110.72 12.07 -10 -1 0 113.58 10.47 10 1 0 81.16 23.83 -10 -1 -1 29.68 6.65 -10 -1 -1 25.18 14.53 10 1 1 25.84 13.07 -10 -1 -2 10.50 6.90 -10 -1 -2 23.35 6.52 10 1 2 23.75 6.07 -10 -1 -3 39.50 25.54 -10 -1 -3 58.69 9.29 -10 -1 -4 64.57 15.25 -10 -1 -4 40.29 36.87 -10 -1 -5 13.21 4.94 -10 -1 -5 4.33 4.67 -10 -1 -6 20.84 23.87 -10 -1 -6 33.77 7.08 -10 -1 -7 92.57 8.27 -10 -1 -7 74.54 9.31 -10 -1 -8 15.60 15.17 -10 -2 4 2.65 6.25 -10 -2 4 1.27 3.60 10 2 -4 2.77 4.01 -10 -2 3 0.97 5.29 -10 -2 3 1.36 2.57 10 2 -3 2.78 3.06 -10 -2 2 16.08 6.24 -10 -2 2 14.68 3.91 10 2 -2 13.24 5.99 -10 -2 1 116.02 45.56 -10 -2 1 140.86 10.91 10 2 -1 162.28 13.32 -10 -2 0 22.52 5.71 -10 -2 0 29.71 20.49 10 2 0 34.75 8.37 -10 -2 -1 9.00 4.65 10 2 1 2.21 4.77 -10 -2 -2 8.49 6.27 -10 -2 -2 4.69 8.40 10 2 2 8.98 4.65 -10 -2 -3 9.50 4.98 10 2 3 12.59 5.41 -10 -2 -4 41.24 4.97 -10 -2 -4 45.11 7.94 10 2 4 53.61 8.14 -10 -2 -5 3.26 2.24 -10 -2 -5 3.84 4.49 10 2 5 4.94 5.02 -10 -2 -6 68.21 9.37 10 2 6 47.56 6.97 -10 -2 -7 5.62 8.08 -10 -2 -8 6.42 7.92 -10 -2 -9 10.40 4.76 -10 -3 4 3.85 6.65 -10 -3 4 2.14 2.84 10 3 -4 4.85 9.12 -10 -3 3 5.83 6.28 -10 -3 3 2.92 2.76 10 3 -3 5.97 8.06 -10 -3 2 8.26 5.69 -10 -3 2 6.25 4.20 10 3 -2 4.50 5.38 -10 -3 1 6.65 5.59 -10 -3 1 4.61 3.42 10 3 -1 3.49 5.28 -10 -3 0 1.30 4.61 -10 -3 0 0.91 2.68 10 3 0 -0.02 5.31 -10 -3 -1 86.92 9.23 -10 -3 -1 91.54 14.16 10 3 1 78.31 10.54 -10 -3 -2 0.53 3.22 -10 -3 -2 3.90 4.46 10 3 2 0.22 5.44 -10 -3 -3 19.42 14.69 10 3 3 15.23 5.29 -10 -3 -4 9.12 5.57 10 3 4 16.84 5.80 -10 -3 -5 148.20 12.24 10 3 5 163.87 13.20 -10 -3 -6 41.91 7.39 10 3 6 63.99 9.10 -10 -3 -7 2.04 5.28 10 3 7 6.83 5.60 -10 -3 -8 67.46 9.17 10 3 8 85.50 10.58 -10 -3 -9 13.68 7.60 10 3 9 15.15 5.91 -10 -4 4 12.39 9.66 10 4 -4 18.48 6.37 -10 -4 3 6.71 5.61 -10 -4 3 1.87 5.11 10 4 -3 4.98 5.79 -10 -4 2 2.26 5.31 -10 -4 2 2.65 4.46 10 4 -2 11.73 6.90 -10 -4 1 0.18 5.48 -10 -4 1 7.79 4.07 10 4 -1 -1.38 5.93 -10 -4 0 9.91 6.99 -10 -4 0 15.48 12.15 10 4 0 23.10 6.37 -10 -4 -1 3.99 5.83 10 4 1 11.60 5.90 -10 -4 -2 7.65 5.37 10 4 2 4.84 5.60 -10 -4 -3 19.00 5.66 10 4 3 12.30 8.30 -10 -4 -4 7.00 8.02 10 4 4 13.46 6.03 -10 -4 -5 9.76 5.15 10 4 5 13.22 8.11 -10 -4 -6 8.56 4.87 10 4 6 10.12 9.02 -10 -4 -7 40.11 23.07 10 4 7 49.68 9.24 -10 -4 -8 18.00 5.55 10 4 8 14.82 6.88 -10 -4 -9 0.90 7.49 10 4 9 6.62 6.04 -10 -5 4 2.86 6.68 -10 -5 4 5.83 3.62 10 5 -4 8.00 6.25 -10 -5 3 49.37 7.66 10 5 -3 51.15 9.01 -10 -5 2 27.78 11.19 10 5 -2 14.17 15.84 -10 -5 1 7.26 3.62 10 5 -1 5.70 5.53 -10 -5 0 6.80 4.60 10 5 0 2.86 6.16 -10 -5 -1 26.67 17.53 10 5 1 25.80 7.03 -10 -5 -2 17.42 11.97 10 5 2 23.20 7.53 -10 -5 -3 8.13 7.96 10 5 3 5.29 6.51 -10 -5 -4 85.00 11.58 10 5 4 72.11 9.63 -10 -5 -5 16.75 9.56 10 5 5 27.27 8.70 -10 -5 -6 28.39 27.57 10 5 6 48.73 8.49 -10 -5 -7 43.97 7.34 10 5 7 56.77 10.18 -10 -5 -8 4.54 4.40 10 5 8 -1.74 6.40 -10 -5 -9 56.03 9.38 10 5 9 55.77 10.67 -10 -6 3 3.17 4.33 10 6 -3 0.79 7.33 -10 -6 2 10.05 4.47 10 6 -2 14.54 7.80 -10 -6 1 17.53 5.43 10 6 -1 12.14 10.73 -10 -6 0 38.95 6.72 10 6 0 32.78 7.46 -10 -6 -1 7.31 4.44 10 6 1 0.51 5.52 -10 -6 -2 25.63 16.82 10 6 2 19.90 6.28 -10 -6 -3 2.83 3.74 10 6 3 11.36 6.28 -10 -6 -4 32.53 23.94 10 6 4 50.25 10.60 -10 -6 -5 14.08 4.82 10 6 5 26.05 7.70 -10 -6 -6 10.45 10.01 10 6 6 13.47 8.94 -10 -6 -7 4.21 9.58 10 6 7 5.63 7.10 -10 -6 -8 26.37 24.13 10 6 8 47.64 11.63 -10 -7 2 61.39 9.46 10 7 -2 39.44 14.64 -10 -7 1 11.14 4.71 10 7 -1 16.43 11.15 -10 -7 0 3.44 6.61 10 7 0 3.27 7.63 -10 -7 -1 8.67 5.08 10 7 1 3.76 7.55 -10 -7 -2 38.89 7.58 10 7 2 50.55 10.03 -10 -7 -3 74.26 8.67 10 7 3 51.79 9.58 -10 -7 -4 3.11 3.44 10 7 4 10.93 7.38 -10 -7 -5 97.47 10.49 10 7 5 92.89 12.71 -10 -7 -6 7.20 12.33 10 7 6 15.08 7.34 -10 -7 -7 39.97 21.63 10 7 7 32.03 8.27 -10 -8 -1 4.64 7.82 10 8 1 1.24 7.14 -10 -8 -2 -0.17 3.61 10 8 2 5.52 6.93 -10 -8 -3 10.14 4.50 10 8 3 10.26 10.06 -10 -8 -4 31.42 6.30 10 8 4 27.31 11.44 -11 -1 -2 6.71 4.78 -11 -1 -2 7.83 5.23 -11 -1 -3 68.65 8.85 -11 -1 -3 78.35 9.20 -11 -2 0 32.32 21.74 -11 -2 0 32.83 21.32 11 2 0 51.37 7.48 -11 -2 -1 12.46 5.45 -11 -2 -1 4.53 3.34 11 2 1 3.07 4.37 -11 -2 -2 8.92 6.67 -11 -2 -2 9.71 5.92 -11 -2 -3 3.60 6.30 -11 -2 -4 10.75 4.75 -11 -2 -5 13.68 14.79 -11 -3 0 5.37 3.42 11 3 0 11.13 6.19 -11 -3 -1 1.71 4.60 11 3 1 3.52 7.54 -11 -3 -2 18.44 5.00 11 3 2 11.93 5.65 -11 -3 -3 7.92 4.06 11 3 3 12.55 5.29 -11 -3 -4 23.55 10.67 11 3 4 31.79 7.94 -11 -3 -5 6.57 4.87 11 3 5 1.63 4.20 -11 -4 0 0.22 3.26 11 4 0 7.12 5.82 -11 -4 -1 5.16 3.68 11 4 1 7.74 7.75 -11 -4 -2 17.14 14.48 11 4 2 10.28 6.75 -11 -4 -3 8.29 4.51 11 4 3 3.97 8.48 -11 -4 -4 40.69 7.39 11 4 4 27.97 14.99 -11 -4 -5 24.56 14.21 11 4 5 38.25 7.45 -11 -5 -1 2.01 3.47 11 5 1 4.38 6.71 -11 -5 -2 12.06 4.21 11 5 2 20.54 7.12 -11 -5 -3 0.95 4.21 11 5 3 9.05 8.66 -11 -5 -4 19.44 5.51 11 5 4 23.75 7.31 -11 -5 -5 19.63 7.41 11 5 5 17.77 6.42 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 89191 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 S1 S 0.31100(6) 0.35102(5) 0.85805(4) 0.02427(13) Uani 1 1 d . . . . . Cl1 Cl 0.36523(8) -0.08449(6) 0.59564(5) 0.04622(17) Uani 1 1 d . . . . . O1 O 0.44041(16) 0.02558(14) 0.81287(11) 0.0286(3) Uani 1 1 d . . . . . O2 O 0.18635(15) 0.28524(15) 0.91822(11) 0.0302(3) Uani 1 1 d . . . . . O3 O 0.30606(17) 0.50247(14) 0.88184(12) 0.0335(3) Uani 1 1 d . . . . . O4 O 0.48966(16) 0.45945(15) 0.64699(11) 0.0309(3) Uani 1 1 d . . . . . O5 O 0.04340(17) 0.35681(16) 0.25593(11) 0.0350(3) Uani 1 1 d . . . . . N1 N 0.29472(19) 0.33938(17) 0.72470(12) 0.0232(3) Uani 1 1 d D . . . . H1 H 0.2220(19) 0.295(2) 0.7098(17) 0.028 Uiso 1 1 d D U . . . N2 N 0.32947(18) 0.40492(17) 0.53344(13) 0.0241(3) Uani 1 1 d D . . . . H2 H 0.382(2) 0.450(2) 0.4772(12) 0.029 Uiso 1 1 d D U . . . N3 N 0.11533(18) 0.28647(16) 0.58172(13) 0.0249(3) Uani 1 1 d . . . . . N4 N 0.18816(18) 0.38116(17) 0.39503(13) 0.0248(3) Uani 1 1 d . . . . . C1 C 0.3528(3) -0.1630(2) 0.7355(2) 0.0406(5) Uani 1 1 d . . . . . H1A H 0.242571 -0.116832 0.779025 0.049 Uiso 1 1 calc R U . . . H1B H 0.367356 -0.273602 0.732541 0.049 Uiso 1 1 calc R U . . . C2 C 0.4822(2) -0.1345(2) 0.79287(18) 0.0318(4) Uani 1 1 d . . . . . H2A H 0.486608 -0.192206 0.865198 0.038 Uiso 1 1 calc R U . . . H2B H 0.591519 -0.167306 0.744702 0.038 Uiso 1 1 calc R U . . . C3 C 0.5499(2) 0.0776(2) 0.85687(15) 0.0255(4) Uani 1 1 d . . . . . C4 C 0.6985(2) -0.0120(2) 0.88405(17) 0.0324(4) Uani 1 1 d . . . . . H4 H 0.728681 -0.118460 0.873316 0.039 Uiso 1 1 calc R U . . . C5 C 0.8024(3) 0.0530(3) 0.92655(18) 0.0378(5) Uani 1 1 d . . . . . H5 H 0.902999 -0.010034 0.945476 0.045 Uiso 1 1 calc R U . . . C6 C 0.7638(3) 0.2076(3) 0.94236(17) 0.0364(5) Uani 1 1 d . . . . . H6 H 0.837798 0.250972 0.970136 0.044 Uiso 1 1 calc R U . . . C7 C 0.6145(2) 0.2983(2) 0.91677(16) 0.0296(4) Uani 1 1 d . . . . . H7 H 0.585739 0.404655 0.927489 0.035 Uiso 1 1 calc R U . . . C8 C 0.5074(2) 0.2346(2) 0.87579(14) 0.0240(4) Uani 1 1 d . . . . . C9 C 0.3787(2) 0.40470(19) 0.63631(15) 0.0229(4) Uani 1 1 d . . . . . C10 C 0.2043(2) 0.35368(19) 0.50397(15) 0.0226(4) Uani 1 1 d . . . . . C11 C 0.0707(2) 0.3328(2) 0.36335(16) 0.0272(4) Uani 1 1 d . . . . . C12 C -0.0283(2) 0.2577(2) 0.43625(17) 0.0309(4) Uani 1 1 d . . . . . H12 H -0.109776 0.222084 0.410605 0.037 Uiso 1 1 calc R U . . . C13 C -0.0034(2) 0.2374(2) 0.54596(17) 0.0286(4) Uani 1 1 d . . . . . C14 C -0.1059(3) 0.1649(2) 0.63380(19) 0.0396(5) Uani 1 1 d . . . . . H14A H -0.035069 0.098129 0.682685 0.059 Uiso 1 1 calc R U . . . H14B H -0.160767 0.105405 0.597055 0.059 Uiso 1 1 calc R U . . . H14C H -0.189155 0.243807 0.679201 0.059 Uiso 1 1 calc R U . . . C15 C 0.1282(3) 0.4519(2) 0.18552(16) 0.0351(5) Uani 1 1 d . . . . . H15A H 0.095741 0.553559 0.217378 0.053 Uiso 1 1 calc R U . . . H15B H 0.099463 0.458594 0.109680 0.053 Uiso 1 1 calc R U . . . H15C H 0.247398 0.408786 0.181281 0.053 Uiso 1 1 calc R U . . . 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 S1 0.0296(2) 0.0232(2) 0.0184(2) -0.00080(17) -0.00421(18) -0.00424(19) Cl1 0.0560(4) 0.0432(3) 0.0451(3) -0.0014(3) -0.0199(3) -0.0155(3) O1 0.0304(7) 0.0219(6) 0.0350(8) -0.0041(6) -0.0104(6) -0.0054(6) O2 0.0281(7) 0.0346(7) 0.0240(7) 0.0016(6) 0.0012(6) -0.0059(6) O3 0.0450(8) 0.0228(7) 0.0313(8) -0.0053(6) -0.0113(6) -0.0027(6) O4 0.0354(7) 0.0400(8) 0.0246(7) 0.0059(6) -0.0108(6) -0.0199(6) O5 0.0406(8) 0.0406(8) 0.0267(7) -0.0017(6) -0.0142(6) -0.0100(7) N1 0.0295(8) 0.0251(8) 0.0186(7) 0.0015(6) -0.0065(6) -0.0119(7) N2 0.0248(8) 0.0309(9) 0.0188(7) 0.0017(6) -0.0057(6) -0.0106(7) N3 0.0244(8) 0.0241(8) 0.0264(8) -0.0042(6) -0.0031(6) -0.0065(6) N4 0.0252(8) 0.0257(8) 0.0224(8) -0.0017(6) -0.0078(6) -0.0022(7) C1 0.0499(13) 0.0312(11) 0.0451(13) -0.0018(10) -0.0047(11) -0.0195(10) C2 0.0387(11) 0.0206(9) 0.0343(11) 0.0002(8) -0.0047(9) -0.0058(8) C3 0.0302(10) 0.0277(9) 0.0188(9) 0.0017(7) -0.0056(7) -0.0079(8) C4 0.0332(10) 0.0308(10) 0.0303(10) 0.0032(8) -0.0081(9) -0.0030(9) C5 0.0324(11) 0.0470(13) 0.0325(11) 0.0041(10) -0.0126(9) -0.0048(10) C6 0.0360(11) 0.0487(13) 0.0302(11) 0.0008(9) -0.0125(9) -0.0166(10) C7 0.0365(11) 0.0321(10) 0.0223(9) -0.0016(8) -0.0070(8) -0.0112(9) C8 0.0289(9) 0.0255(9) 0.0166(8) 0.0010(7) -0.0040(7) -0.0058(8) C9 0.0254(9) 0.0216(9) 0.0215(9) -0.0001(7) -0.0065(7) -0.0045(7) C10 0.0230(9) 0.0198(9) 0.0238(9) -0.0047(7) -0.0057(7) -0.0015(7) C11 0.0290(10) 0.0256(9) 0.0248(9) -0.0054(8) -0.0086(8) 0.0001(8) C12 0.0288(10) 0.0311(10) 0.0350(11) -0.0077(8) -0.0069(8) -0.0091(8) C13 0.0277(10) 0.0258(9) 0.0318(10) -0.0054(8) -0.0030(8) -0.0063(8) C14 0.0420(12) 0.0448(13) 0.0389(12) -0.0021(10) -0.0031(10) -0.0248(11) C15 0.0365(11) 0.0413(12) 0.0229(10) 0.0024(9) -0.0076(9) -0.0019(9) 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 '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 O3 S1 O2 119.10(9) . . ? O3 S1 N1 109.88(8) . . ? O2 S1 N1 103.61(8) . . ? O3 S1 C8 107.42(9) . . ? O2 S1 C8 109.53(8) . . ? N1 S1 C8 106.68(9) . . ? C3 O1 C2 117.25(15) . . ? C11 O5 C15 117.56(15) . . ? C9 N1 S1 124.00(13) . . ? C9 N1 H1 118.2(14) . . ? S1 N1 H1 117.7(14) . . ? C9 N2 C10 130.43(16) . . ? C9 N2 H2 115.2(13) . . ? C10 N2 H2 114.3(13) . . ? C10 N3 C13 116.14(16) . . ? C11 N4 C10 114.71(17) . . ? C2 C1 Cl1 110.60(15) . . ? C2 C1 H1A 109.5 . . ? Cl1 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? Cl1 C1 H1B 109.5 . . ? H1A C1 H1B 108.1 . . ? O1 C2 C1 107.77(16) . . ? O1 C2 H2A 110.2 . . ? C1 C2 H2A 110.2 . . ? O1 C2 H2B 110.2 . . ? C1 C2 H2B 110.2 . . ? H2A C2 H2B 108.5 . . ? O1 C3 C4 124.91(17) . . ? O1 C3 C8 116.59(16) . . ? C4 C3 C8 118.50(17) . . ? C5 C4 C3 120.19(19) . . ? C5 C4 H4 119.9 . . ? C3 C4 H4 119.9 . . ? C4 C5 C6 121.69(19) . . ? C4 C5 H5 119.2 . . ? C6 C5 H5 119.2 . . ? C5 C6 C7 118.65(19) . . ? C5 C6 H6 120.7 . . ? C7 C6 H6 120.7 . . ? C8 C7 C6 120.46(19) . . ? C8 C7 H7 119.8 . . ? C6 C7 H7 119.8 . . ? C7 C8 C3 120.48(17) . . ? C7 C8 S1 118.74(15) . . ? C3 C8 S1 120.60(14) . . ? O4 C9 N2 121.29(17) . . ? O4 C9 N1 123.01(16) . . ? N2 C9 N1 115.70(16) . . ? N3 C10 N4 127.51(17) . . ? N3 C10 N2 119.61(16) . . ? N4 C10 N2 112.88(16) . . ? N4 C11 O5 119.22(18) . . ? N4 C11 C12 123.24(17) . . ? O5 C11 C12 117.54(17) . . ? C13 C12 C11 117.38(18) . . ? C13 C12 H12 121.3 . . ? C11 C12 H12 121.3 . . ? N3 C13 C12 121.01(18) . . ? N3 C13 C14 116.19(18) . . ? C12 C13 C14 122.78(18) . . ? C13 C14 H14A 109.5 . . ? C13 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? O5 C15 H15A 109.5 . . ? O5 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? O5 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag S1 O3 1.4252(14) . ? S1 O2 1.4347(14) . ? S1 N1 1.6486(15) . ? S1 C8 1.7634(19) . ? Cl1 C1 1.785(2) . ? O1 C3 1.357(2) . ? O1 C2 1.439(2) . ? O4 C9 1.219(2) . ? O5 C11 1.348(2) . ? O5 C15 1.431(3) . ? N1 C9 1.378(2) . ? N1 H1 0.883(9) . ? N2 C9 1.376(2) . ? N2 C10 1.389(2) . ? N2 H2 0.889(9) . ? N3 C10 1.332(2) . ? N3 C13 1.361(2) . ? N4 C11 1.325(2) . ? N4 C10 1.343(2) . ? C1 C2 1.491(3) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 C4 1.389(3) . ? C3 C8 1.409(2) . ? C4 C5 1.378(3) . ? C4 H4 0.9500 . ? C5 C6 1.383(3) . ? C5 H5 0.9500 . ? C6 C7 1.390(3) . ? C6 H6 0.9500 . ? C7 C8 1.384(3) . ? C7 H7 0.9500 . ? C11 C12 1.396(3) . ? C12 C13 1.367(3) . ? C12 H12 0.9500 . ? C13 C14 1.497(3) . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? 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 O3 S1 N1 C9 44.12(17) . . . . ? O2 S1 N1 C9 172.41(14) . . . . ? C8 S1 N1 C9 -72.02(16) . . . . ? C3 O1 C2 C1 -175.00(16) . . . . ? Cl1 C1 C2 O1 68.99(19) . . . . ? C2 O1 C3 C4 -0.1(3) . . . . ? C2 O1 C3 C8 179.89(15) . . . . ? O1 C3 C4 C5 178.83(19) . . . . ? C8 C3 C4 C5 -1.2(3) . . . . ? C3 C4 C5 C6 -0.7(3) . . . . ? C4 C5 C6 C7 1.4(3) . . . . ? C5 C6 C7 C8 -0.3(3) . . . . ? C6 C7 C8 C3 -1.5(3) . . . . ? C6 C7 C8 S1 173.68(15) . . . . ? O1 C3 C8 C7 -177.74(17) . . . . ? C4 C3 C8 C7 2.3(3) . . . . ? O1 C3 C8 S1 7.2(2) . . . . ? C4 C3 C8 S1 -172.84(15) . . . . ? O3 S1 C8 C7 5.44(17) . . . . ? O2 S1 C8 C7 -125.26(15) . . . . ? N1 S1 C8 C7 123.22(15) . . . . ? O3 S1 C8 C3 -179.36(14) . . . . ? O2 S1 C8 C3 49.94(16) . . . . ? N1 S1 C8 C3 -61.59(16) . . . . ? C10 N2 C9 O4 -177.72(17) . . . . ? C10 N2 C9 N1 2.2(3) . . . . ? S1 N1 C9 O4 10.4(3) . . . . ? S1 N1 C9 N2 -169.55(12) . . . . ? C13 N3 C10 N4 1.4(3) . . . . ? C13 N3 C10 N2 -179.05(15) . . . . ? C11 N4 C10 N3 -1.0(3) . . . . ? C11 N4 C10 N2 179.46(15) . . . . ? C9 N2 C10 N3 -3.1(3) . . . . ? C9 N2 C10 N4 176.54(17) . . . . ? C10 N4 C11 O5 179.12(16) . . . . ? C10 N4 C11 C12 -0.6(3) . . . . ? C15 O5 C11 N4 -8.3(2) . . . . ? C15 O5 C11 C12 171.39(16) . . . . ? N4 C11 C12 C13 1.6(3) . . . . ? O5 C11 C12 C13 -178.16(17) . . . . ? C10 N3 C13 C12 -0.3(3) . . . . ? C10 N3 C13 C14 -178.68(16) . . . . ? C11 C12 C13 N3 -1.1(3) . . . . ? C11 C12 C13 C14 177.23(17) . . . . ?