#------------------------------------------------------------------------------ #$Date: 2020-08-06 17:16:44 +0300 (Thu, 06 Aug 2020) $ #$Revision: 255021 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/04/7240415.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_7240415 loop_ _publ_author_name 'Charpe, Vaibhav Pramod' 'Sagadevan, Arunachalam' 'Hwang, Kuo Chu' _publ_section_title ; Visible light-induced aerobic oxidation of diarylalkynes to \a-diketones catalyzed by copper-superoxo at room temperature ; _journal_issue 14 _journal_name_full 'Green Chemistry' _journal_page_first 4426 _journal_paper_doi 10.1039/D0GC00975J _journal_volume 22 _journal_year 2020 _chemical_formula_sum 'C23 H22 N2 O2 S' _chemical_formula_weight 390.48 _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 geom _audit_creation_method SHELXL-2014/6 _audit_update_record ; 2018-07-30 deposited with the CCDC. 2020-04-27 downloaded from the CCDC. ; _cell_angle_alpha 95.845(2) _cell_angle_beta 105.956(2) _cell_angle_gamma 109.513(2) _cell_formula_units_Z 2 _cell_length_a 9.3322(5) _cell_length_b 10.0321(5) _cell_length_c 11.8425(6) _cell_measurement_reflns_used 7970 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 26.2355 _cell_measurement_theta_min 2.2047 _cell_volume 981.56(9) _computing_cell_refinement 'SAINT V8.34A (Bruker AXS Inc., 2013)' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'SAINT V8.34A (Bruker AXS Inc., 2013)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014/6 (Sheldrick, 2014)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 8.3333 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0443 _diffrn_reflns_av_unetI/netI 0.0325 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.996 _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 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 28567 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.568 _diffrn_reflns_theta_min 1.831 _exptl_absorpt_coefficient_mu 0.186 _exptl_absorpt_correction_T_max 0.9485 _exptl_absorpt_correction_T_min 0.8862 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS V2014/4 (Bruker AXS Inc.)' _exptl_crystal_colour Colorless _exptl_crystal_density_diffrn 1.321 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description Lump _exptl_crystal_F_000 412 _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.12 _refine_diff_density_max 0.296 _refine_diff_density_min -0.428 _refine_diff_density_rms 0.060 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.139 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 256 _refine_ls_number_reflns 4075 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.139 _refine_ls_R_factor_all 0.0566 _refine_ls_R_factor_gt 0.0397 _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^)+(0.0319P)^2^+1.0128P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1006 _refine_ls_wR_factor_ref 0.1081 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3282 _reflns_number_total 4075 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0gc00975j2.cif _cod_data_source_block mo_180117lt_0m_a _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_crystal_density_meas' value 'not measured' was changed to '?' -- the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas Adding full bibliography for 7240411--7240415.cif. ; _cod_database_code 7240415 _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. ; _shelxl_version_number 2014/6 _shelx_res_file ; TITL mo_180117lt_0m_a.res in P-1 CELL 0.71073 9.3322 10.0321 11.8425 95.845 105.956 109.513 ZERR 2.000 0.0005 0.0005 0.0006 0.002 0.002 0.002 LATT 1 SFAC C H N O S UNIT 46 44 4 4 2 L.S. 4 ACTA BOND $H FMAP 2 PLAN 5 TEMP -173 WGHT 0.031900 1.012800 FVAR 0.59419 C1 1 0.602471 0.335974 0.457797 11.00000 0.01265 0.01452 = 0.01600 0.00592 0.00406 0.00526 C2 1 0.543764 0.344369 0.626341 11.00000 0.01337 0.01363 = 0.01487 0.00422 0.00405 0.00689 C3 1 0.681942 0.460721 0.639930 11.00000 0.01475 0.01606 = 0.01502 0.00574 0.00598 0.00721 C4 1 0.600454 0.287284 0.336750 11.00000 0.01586 0.01575 = 0.01435 0.00608 0.00497 0.00720 C5 1 0.736506 0.354597 0.303376 11.00000 0.01581 0.01540 = 0.01668 0.00439 0.00409 0.00676 C6 1 0.736410 0.310557 0.187804 11.00000 0.01934 0.02206 = 0.01917 0.00696 0.01015 0.00951 AFIX 43 H6 2 0.828621 0.355550 0.165600 11.00000 -1.20000 AFIX 0 C7 1 0.602475 0.201652 0.105620 11.00000 0.02517 0.02430 = 0.01594 0.00270 0.00759 0.01218 AFIX 43 H7 2 0.602562 0.172992 0.026677 11.00000 -1.20000 AFIX 0 C8 1 0.467570 0.133589 0.137299 11.00000 0.02026 0.02034 = 0.01757 -0.00014 0.00168 0.00572 AFIX 43 H8 2 0.375827 0.058627 0.080351 11.00000 -1.20000 AFIX 0 C9 1 0.467579 0.175528 0.252087 11.00000 0.01628 0.01771 = 0.01870 0.00556 0.00556 0.00577 AFIX 43 H9 2 0.375847 0.127703 0.273923 11.00000 -1.20000 AFIX 0 C10 1 0.455074 0.298023 0.709533 11.00000 0.01118 0.01716 = 0.01476 0.00584 0.00341 0.00465 C11 1 0.395052 0.151893 0.715274 11.00000 0.01669 0.01732 = 0.01669 0.00444 0.00543 0.00693 AFIX 43 H11 2 0.411967 0.082601 0.665058 11.00000 -1.20000 AFIX 0 C12 1 0.311179 0.107402 0.793551 11.00000 0.02096 0.01957 = 0.02139 0.01048 0.00748 0.00705 AFIX 43 H12 2 0.270292 0.007951 0.796530 11.00000 -1.20000 AFIX 0 C13 1 0.287017 0.208481 0.867630 11.00000 0.01557 0.03026 = 0.01828 0.01023 0.00887 0.00771 AFIX 43 H13 2 0.228890 0.178138 0.920935 11.00000 -1.20000 AFIX 0 C14 1 0.347698 0.353476 0.863734 11.00000 0.01804 0.02623 = 0.01983 0.00311 0.00793 0.00966 AFIX 43 H14 2 0.332562 0.422564 0.915491 11.00000 -1.20000 AFIX 0 C15 1 0.430318 0.398567 0.784931 11.00000 0.01465 0.01752 = 0.02047 0.00502 0.00577 0.00598 AFIX 43 H15 2 0.470277 0.498125 0.782121 11.00000 -1.20000 AFIX 0 C16 1 0.788936 0.576603 0.746342 11.00000 0.01097 0.01801 = 0.01765 0.00203 0.00694 0.00645 C17 1 0.827843 0.546915 0.861419 11.00000 0.01554 0.01927 = 0.01761 0.00406 0.00772 0.00509 AFIX 43 H17 2 0.784617 0.450608 0.871813 11.00000 -1.20000 AFIX 0 C18 1 0.929347 0.657702 0.960365 11.00000 0.01734 0.03176 = 0.01771 0.00133 0.00766 0.00898 AFIX 43 H18 2 0.955789 0.636566 1.038070 11.00000 -1.20000 AFIX 0 C19 1 0.992382 0.798769 0.946748 11.00000 0.01456 0.02378 = 0.02484 -0.00862 0.00726 0.00096 AFIX 43 H19 2 1.061094 0.874346 1.014826 11.00000 -1.20000 AFIX 0 C20 1 0.954519 0.828926 0.833089 11.00000 0.01832 0.01568 = 0.03446 0.00191 0.01431 0.00472 AFIX 43 H20 2 0.996813 0.925663 0.823396 11.00000 -1.20000 AFIX 0 C21 1 0.855366 0.718804 0.733570 11.00000 0.01498 0.02057 = 0.02148 0.00430 0.00953 0.00562 AFIX 43 H21 2 0.832351 0.740292 0.655845 11.00000 -1.20000 AFIX 0 C22 1 0.104206 0.755761 0.296433 11.00000 0.02439 0.02337 = 0.01841 -0.00016 0.00588 0.00906 AFIX 137 H22A 2 0.008893 0.769976 0.248122 11.00000 -1.50000 H22B 2 0.072585 0.657145 0.310649 11.00000 -1.50000 H22C 2 0.182242 0.770415 0.253345 11.00000 -1.50000 AFIX 0 C23 1 0.025948 0.825135 0.489688 11.00000 0.03212 0.01619 = 0.03503 0.00672 0.02207 0.00617 AFIX 137 H23A 2 0.046714 0.894364 0.562542 11.00000 -1.50000 H23B 2 0.010307 0.729252 0.508085 11.00000 -1.50000 H23C 2 -0.071156 0.820224 0.427627 11.00000 -1.50000 AFIX 0 N1 3 0.494981 0.266702 0.510351 11.00000 0.01132 0.01406 = 0.01479 0.00290 0.00404 0.00168 AFIX 43 H1 2 0.409428 0.186538 0.476467 11.00000 -1.20000 AFIX 0 N2 3 0.717030 0.453907 0.533938 11.00000 0.01406 0.01641 = 0.01444 0.00397 0.00531 0.00500 O1 4 0.870518 0.462454 0.380389 11.00000 0.01591 0.02245 = 0.01826 -0.00040 0.00802 0.00092 AFIX 147 H1A 2 0.855749 0.481945 0.445931 11.00000 -1.50000 AFIX 0 O2 4 0.205731 1.027614 0.405390 11.00000 0.01980 0.01422 = 0.02309 0.00651 0.00683 0.00342 S1 5 0.193046 0.882479 0.436660 11.00000 0.01618 0.01655 = 0.01653 0.00421 0.00403 0.00575 HKLF 4 REM mo_180117lt_0m_a.res in P-1 REM R1 = 0.0397 for 3282 Fo > 4sig(Fo) and 0.0566 for all 4075 data REM 256 parameters refined using 0 restraints END WGHT 0.0319 1.0127 REM Highest difference peak 0.296, deepest hole -0.428, 1-sigma level 0.060 Q1 1 0.4868 0.3189 0.6575 11.00000 0.05 0.30 Q2 1 0.6572 0.3349 0.3132 11.00000 0.05 0.29 Q3 1 0.2913 0.9223 0.5060 11.00000 0.05 0.29 Q4 1 0.0898 0.8493 0.4577 11.00000 0.05 0.26 Q5 1 0.1211 0.8248 0.3602 11.00000 0.05 0.25 ; _shelx_res_checksum 96616 _shelx_hkl_file ; -1 0 0 207.04 4.67 -1 0 0 212.22 4.52 -1 0 0 210.27 4.64 -1 0 0 217.99 5.09 -1 0 0 214.22 4.70 -1 0 0 214.12 4.29 1 0 0 216.99 4.60 1 0 0 216.92 4.76 1 0 0 212.69 4.25 1 0 0 209.72 5.00 1 0 0 202.77 4.64 1 0 0 216.60 4.61 1 0 0 214.65 4.50 -2 0 0 1.85 1.48 -2 0 0 0.71 1.69 -2 0 0 -0.19 0.18 -2 0 0 -0.40 1.77 -2 0 0 0.77 1.48 -2 0 0 -0.83 2.14 -2 0 0 0.68 1.24 2 0 0 -0.01 1.44 2 0 0 0.21 2.49 2 0 0 1.11 1.41 2 0 0 2.22 1.91 2 0 0 -0.52 1.57 2 0 0 3.43 1.90 2 0 0 0.57 1.13 -3 0 0 171.53 7.34 -3 0 0 197.44 5.95 -3 0 0 179.30 6.05 -3 0 0 184.83 6.12 -3 0 0 189.06 5.21 -3 0 0 183.39 6.10 3 0 0 191.89 5.06 3 0 0 188.29 6.13 3 0 0 200.24 6.84 3 0 0 183.56 6.03 3 0 0 185.50 7.42 3 0 0 191.54 6.16 -4 0 0 72.60 5.72 -4 0 0 73.68 3.66 -4 0 0 68.74 4.87 -4 0 0 72.95 4.81 -4 0 0 61.76 4.31 4 0 0 68.13 4.26 4 0 0 71.88 4.84 4 0 0 73.97 3.49 4 0 0 74.05 5.35 -5 0 0 95.07 5.92 -5 0 0 95.40 5.89 -5 0 0 91.75 4.47 -5 0 0 85.06 6.78 -5 0 0 95.17 5.92 5 0 0 92.43 6.59 5 0 0 94.00 5.65 5 0 0 91.24 5.77 5 0 0 93.22 4.12 -6 0 0 17.50 2.91 -6 0 0 16.54 4.21 -6 0 0 17.28 4.24 -6 0 0 13.65 3.69 -6 0 0 12.62 5.21 6 0 0 12.33 3.49 6 0 0 15.50 3.23 6 0 0 14.92 2.49 6 0 0 11.17 3.28 6 0 0 13.16 4.24 -7 0 0 6.80 2.79 -7 0 0 2.97 3.63 -7 0 0 5.99 4.00 -7 0 0 4.19 5.35 -7 0 0 6.00 3.70 7 0 0 10.47 3.33 7 0 0 10.58 4.06 7 0 0 3.59 4.13 7 0 0 5.75 3.95 -8 0 0 42.23 4.07 -8 0 0 45.63 7.11 -8 0 0 35.55 5.66 -8 0 0 37.84 5.38 -8 0 0 36.88 5.48 8 0 0 41.19 4.99 8 0 0 42.21 5.78 8 0 0 33.02 4.98 8 0 0 40.46 5.81 -9 0 0 18.19 4.91 -9 0 0 9.93 4.83 -9 0 0 16.32 5.74 -9 0 0 8.96 4.58 9 0 0 11.63 5.00 9 0 0 14.03 5.49 9 0 0 10.69 3.97 -10 0 0 66.10 7.14 -10 0 0 59.67 8.54 -10 0 0 54.48 7.25 10 0 0 55.83 7.44 10 0 0 62.39 6.64 10 0 0 51.63 6.94 10 -1 0 44.64 5.67 10 -1 0 44.83 6.33 10 -1 0 46.64 6.97 10 -1 0 53.80 6.70 -10 1 0 44.63 6.55 -10 1 0 67.68 8.23 -10 1 0 41.02 7.36 -10 1 0 59.23 7.14 9 -1 0 37.51 4.92 9 -1 0 29.31 6.29 9 -1 0 21.78 5.24 9 -1 0 28.81 5.10 -9 1 0 37.83 6.00 -9 1 0 37.19 6.22 -9 1 0 38.19 5.90 -9 1 0 37.32 7.29 8 -1 0 84.90 6.29 8 -1 0 86.99 7.79 8 -1 0 86.11 7.26 8 -1 0 77.78 7.91 -8 1 0 84.98 9.60 -8 1 0 90.19 7.27 -8 1 0 79.79 7.21 -8 1 0 80.94 5.28 -8 1 0 82.59 7.28 7 -1 0 0.39 2.97 7 -1 0 -6.69 4.16 7 -1 0 0.77 3.96 -7 1 0 1.76 3.65 -7 1 0 1.55 2.50 -7 1 0 3.29 4.02 -7 1 0 2.37 3.49 -7 1 0 6.41 5.28 6 -1 0 -1.11 2.85 6 -1 0 7.11 3.82 6 -1 0 2.21 3.15 -6 1 0 0.36 2.90 -6 1 0 3.46 2.24 -6 1 0 6.12 4.59 -6 1 0 3.67 3.35 5 -1 0 338.67 9.96 5 -1 0 344.07 10.37 5 -1 0 348.66 11.24 -5 1 0 350.00 11.93 -5 1 0 330.20 10.31 -5 1 0 339.39 8.50 -5 1 0 349.03 10.23 4 -1 0 211.15 7.64 4 -1 0 205.78 7.27 4 -1 0 199.93 6.57 -4 1 0 203.71 6.96 -4 1 0 210.82 8.48 -4 1 0 206.23 6.82 -4 1 0 218.40 5.82 3 -1 0 81.26 4.33 3 -1 0 80.41 4.35 3 -1 0 80.26 5.76 3 -1 0 67.84 3.66 3 -1 0 76.78 4.23 3 -1 0 83.92 4.76 3 -1 0 68.02 4.07 -3 1 0 73.64 3.69 -3 1 0 70.98 4.06 -3 1 0 76.29 3.20 -3 1 0 79.43 3.88 -3 1 0 67.22 3.99 -3 1 0 75.13 5.75 2 -1 0 11.31 1.74 2 -1 0 9.81 1.79 2 -1 0 15.06 2.59 2 -1 0 10.51 1.50 2 -1 0 12.74 2.24 2 -1 0 9.76 1.63 2 -1 0 12.94 1.90 2 -1 0 10.89 1.85 -2 1 0 11.21 1.83 -2 1 0 11.20 2.27 -2 1 0 11.80 1.47 -2 1 0 11.89 2.05 -2 1 0 13.12 2.01 1 -1 0 4.62 1.22 1 -1 0 2.03 1.23 1 -1 0 -0.16 0.97 1 -1 0 2.38 0.91 1 -1 0 4.17 1.29 1 -1 0 2.93 1.28 1 -1 0 1.86 1.00 1 -1 0 6.23 1.46 1 -1 0 1.59 0.99 1 -1 0 -0.75 0.91 1 -1 0 2.25 1.15 -1 1 0 1.19 1.24 -1 1 0 0.40 1.21 -1 1 0 -0.21 1.11 -1 1 0 0.90 1.03 -1 1 0 0.75 0.97 -1 1 0 1.17 0.91 -1 1 0 -1.45 0.95 -1 1 0 1.61 0.96 -1 1 0 7.54 1.44 -1 1 0 -0.41 1.08 -1 1 0 1.31 0.86 -1 1 0 -0.13 1.10 0 -1 0 197.80 4.43 0 1 0 203.60 4.57 0 1 0 209.25 4.28 0 1 0 196.81 4.22 0 1 0 195.04 4.29 0 1 0 189.27 4.34 -1 -1 0 146.07 3.91 -1 -1 0 143.16 3.60 -1 -1 0 143.36 3.76 -1 -1 0 140.22 4.27 -1 -1 0 144.38 3.90 -1 -1 0 146.32 3.33 1 1 0 140.50 3.63 1 1 0 138.09 4.09 1 1 0 146.79 3.91 1 1 0 143.20 3.91 1 1 0 146.83 3.86 1 1 0 141.90 3.30 1 1 0 141.75 3.87 1 1 0 140.37 4.31 -2 -1 0 129.33 4.43 -2 -1 0 139.82 5.25 -2 -1 0 134.38 4.82 -2 -1 0 135.96 4.71 -2 -1 0 142.37 4.24 -2 -1 0 138.93 4.55 -2 -1 0 132.38 5.74 2 1 0 136.75 4.33 2 1 0 141.77 5.26 2 1 0 137.91 4.87 2 1 0 137.11 4.93 2 1 0 111.59 5.76 2 1 0 145.36 4.98 2 1 0 133.87 4.46 2 1 0 140.77 4.37 2 1 0 143.81 4.83 -3 -1 0 67.53 4.44 -3 -1 0 64.78 5.01 -3 -1 0 79.34 3.83 -3 -1 0 76.99 4.07 -3 -1 0 72.89 3.69 -3 -1 0 73.92 4.24 -3 -1 0 69.33 4.62 3 1 0 71.36 4.01 3 1 0 73.20 3.82 3 1 0 68.44 3.94 3 1 0 74.51 3.61 3 1 0 79.65 4.45 -4 -1 0 15.80 2.42 -4 -1 0 13.11 2.91 -4 -1 0 13.20 3.24 -4 -1 0 14.65 3.93 -4 -1 0 11.46 2.82 4 1 0 16.06 3.08 4 1 0 13.49 2.24 4 1 0 14.90 2.75 4 1 0 13.79 2.96 4 1 0 17.07 2.66 -5 -1 0 114.22 7.71 -5 -1 0 119.89 6.51 -5 -1 0 127.83 5.48 -5 -1 0 117.71 6.72 -5 -1 0 124.79 6.94 5 1 0 109.35 5.02 5 1 0 123.67 6.11 5 1 0 125.81 6.96 5 1 0 128.69 6.73 5 1 0 120.25 6.27 -6 -1 0 116.19 5.73 -6 -1 0 125.20 7.88 -6 -1 0 127.16 7.68 -6 -1 0 120.49 8.73 -6 -1 0 121.70 7.51 6 1 0 128.19 7.09 6 1 0 130.56 6.88 6 1 0 118.02 6.70 6 1 0 120.85 7.92 -7 -1 0 312.24 11.79 -7 -1 0 301.85 11.84 -7 -1 0 305.14 9.38 -7 -1 0 302.50 14.07 7 1 0 326.11 11.05 7 1 0 312.59 11.84 7 1 0 321.69 11.11 7 1 0 316.13 12.35 -8 -1 0 -1.00 5.02 -8 -1 0 -4.23 4.01 8 1 0 2.11 4.06 8 1 0 -1.66 3.96 8 1 0 2.71 3.60 -9 -1 0 34.01 5.83 9 1 0 25.33 5.64 9 1 0 21.48 5.10 9 1 0 37.86 5.42 9 1 0 22.61 4.72 -10 -1 0 27.91 5.96 10 1 0 19.30 5.43 10 1 0 43.98 6.36 10 1 0 25.98 6.54 -11 2 0 3.38 5.19 10 -2 0 -2.40 4.53 10 -2 0 6.25 3.29 10 -2 0 -1.17 4.48 10 -2 0 -0.28 3.84 -10 2 0 6.66 4.21 -10 2 0 8.14 4.85 -10 2 0 0.85 4.81 -10 2 0 -2.99 4.20 9 -2 0 180.01 10.56 9 -2 0 189.78 11.94 9 -2 0 197.17 10.36 -9 2 0 192.31 12.73 -9 2 0 176.43 9.78 -9 2 0 186.81 10.10 -9 2 0 197.27 10.65 8 -2 0 8.50 4.57 8 -2 0 4.56 4.26 8 -2 0 0.52 3.66 -8 2 0 3.60 4.12 -8 2 0 3.00 2.74 -8 2 0 1.72 3.74 -8 2 0 4.74 5.32 7 -2 0 111.51 7.57 7 -2 0 108.45 9.16 7 -2 0 112.83 7.31 -7 2 0 124.68 5.62 -7 2 0 103.32 7.43 -7 2 0 105.69 7.59 -7 2 0 105.38 9.41 6 -2 0 148.75 6.71 6 -2 0 158.55 8.23 6 -2 0 148.44 8.32 -6 2 0 137.76 7.00 -6 2 0 131.53 7.36 -6 2 0 141.53 9.10 -6 2 0 145.36 5.61 5 -2 0 159.95 6.48 5 -2 0 148.91 7.21 5 -2 0 156.10 7.43 -5 2 0 139.19 6.34 -5 2 0 155.33 8.32 -5 2 0 146.53 5.19 -5 2 0 144.33 6.64 4 -2 0 87.69 4.28 4 -2 0 79.89 5.23 4 -2 0 83.60 5.36 4 -2 0 88.36 4.50 -4 2 0 83.87 3.73 -4 2 0 88.07 4.98 -4 2 0 75.94 4.48 -4 2 0 86.27 6.43 -4 2 0 80.16 4.65 3 -2 0 65.76 4.98 3 -2 0 61.33 4.21 3 -2 0 61.71 4.54 3 -2 0 64.71 3.88 3 -2 0 68.33 3.82 3 -2 0 61.49 4.48 3 -2 0 67.03 3.67 3 -2 0 68.45 3.60 3 -2 0 60.33 3.88 3 -2 0 59.05 4.26 3 -2 0 65.73 4.17 -3 2 0 57.24 3.93 -3 2 0 61.38 4.10 -3 2 0 58.76 3.73 -3 2 0 66.26 4.37 -3 2 0 67.01 4.22 -3 2 0 65.50 3.48 -3 2 0 80.47 5.56 2 -2 0 5370.32 98.96 2 -2 0 5291.02 98.04 2 -2 0 5627.74 99.02 2 -2 0 5385.86 101.38 2 -2 0 5349.76 97.97 2 -2 0 5206.01 96.63 2 -2 0 5589.08 95.97 2 -2 0 5557.89 98.83 2 -2 0 6065.61 98.34 -2 2 0 5209.56 98.18 -2 2 0 5407.10 99.69 -2 2 0 5230.03 99.83 -2 2 0 5364.33 98.56 -2 2 0 5333.93 98.54 -2 2 0 5942.82 99.48 -2 2 0 5245.49 99.45 -2 2 0 5801.38 99.80 -2 2 0 5278.06 97.14 1 -2 0 441.28 8.89 1 -2 0 437.65 8.71 1 -2 0 429.17 8.91 1 -2 0 434.10 9.55 1 -2 0 432.42 8.92 1 -2 0 431.83 8.79 -1 2 0 430.50 9.39 -1 2 0 429.52 8.94 -1 2 0 431.61 9.18 -1 2 0 425.99 8.91 -1 2 0 435.34 8.66 -1 2 0 438.11 9.41 -1 2 0 441.73 8.76 -1 2 0 420.33 9.47 -1 2 0 440.11 8.94 -1 2 0 426.36 8.88 -1 2 0 422.37 9.11 0 -2 0 932.83 18.11 0 -2 0 941.33 17.15 0 -2 0 937.47 16.61 0 -2 0 908.95 17.60 0 -2 0 935.54 16.58 0 -2 0 926.34 18.07 0 2 0 929.50 16.57 0 2 0 911.11 17.98 0 2 0 940.21 17.84 0 2 0 945.11 17.71 0 2 0 945.49 18.41 0 2 0 938.94 17.70 -1 -2 0 27.32 2.88 -1 -2 0 31.48 2.10 -1 -2 0 29.40 2.44 -1 -2 0 27.87 2.69 -1 -2 0 28.65 3.06 -1 -2 0 30.28 2.42 -1 -2 0 27.47 1.69 1 2 0 23.88 2.67 1 2 0 24.08 2.30 1 2 0 26.76 2.82 1 2 0 28.14 2.71 1 2 0 23.23 2.28 1 2 0 20.40 2.17 1 2 0 27.62 2.21 -2 -2 0 120.80 5.00 -2 -2 0 120.24 5.21 -2 -2 0 126.51 5.07 -2 -2 0 127.37 4.29 -2 -2 0 120.06 4.62 -2 -2 0 122.76 3.78 2 2 0 129.92 4.87 2 2 0 125.88 4.78 2 2 0 126.02 5.09 2 2 0 123.49 4.33 2 2 0 121.06 5.51 2 2 0 123.31 5.52 2 2 0 113.10 4.49 -3 -2 0 47.15 3.82 -3 -2 0 49.74 4.62 -3 -2 0 47.85 3.39 -3 -2 0 46.28 3.23 3 2 0 47.94 3.84 3 2 0 44.74 4.53 3 2 0 48.63 4.01 3 2 0 46.44 3.65 3 2 0 43.90 3.64 3 2 0 50.57 3.90 -4 -2 0 225.21 7.23 -4 -2 0 219.28 8.49 4 2 0 217.91 7.70 4 2 0 229.46 7.98 4 2 0 224.60 7.69 4 2 0 221.91 8.60 -5 -2 0 45.08 4.44 -5 -2 0 43.50 5.36 5 2 0 37.17 4.43 5 2 0 38.71 4.40 5 2 0 39.06 4.55 5 2 0 35.37 3.99 -6 -2 0 330.47 10.10 -6 -2 0 334.52 12.17 6 2 0 337.50 11.64 6 2 0 330.39 11.65 6 2 0 332.35 11.23 6 2 0 326.29 12.28 -7 -2 0 25.86 3.77 -7 -2 0 20.34 4.53 7 2 0 23.03 4.84 7 2 0 24.22 4.70 7 2 0 28.19 4.77 7 2 0 26.31 4.99 -8 -2 0 150.38 9.68 8 2 0 173.00 8.71 8 2 0 142.69 9.02 8 2 0 145.53 9.05 8 2 0 166.30 10.24 -9 -2 0 7.38 4.95 9 2 0 8.20 4.61 9 2 0 15.35 4.95 9 2 0 8.55 4.47 9 2 0 13.95 4.06 11 -3 0 7.85 5.56 11 -3 0 -2.91 4.91 11 -3 0 1.33 6.03 -11 3 0 8.35 5.28 -11 3 0 12.45 6.29 -11 3 0 -9.19 4.64 -11 3 0 10.59 5.31 10 -3 0 21.53 5.57 10 -3 0 16.94 6.19 10 -3 0 8.05 5.14 -10 3 0 27.49 5.84 -10 3 0 24.99 5.76 -10 3 0 6.76 4.98 -10 3 0 24.61 6.77 9 -3 0 0.30 3.96 9 -3 0 3.58 4.15 9 -3 0 -2.25 4.23 -9 3 0 0.49 3.60 -9 3 0 1.97 3.97 -9 3 0 2.77 5.49 8 -3 0 -1.50 3.09 8 -3 0 -1.56 4.42 8 -3 0 -1.70 4.81 -8 3 0 2.63 2.69 -8 3 0 4.47 3.81 -8 3 0 -1.67 5.18 -8 3 0 1.10 3.79 7 -3 0 142.28 8.97 7 -3 0 147.71 9.07 7 -3 0 136.11 7.40 -7 3 0 121.26 7.75 -7 3 0 134.85 6.03 -7 3 0 127.89 9.13 -7 3 0 136.31 8.04 6 -3 0 26.61 4.47 6 -3 0 17.36 3.42 6 -3 0 21.18 4.89 -6 3 0 20.28 5.18 -6 3 0 25.40 4.56 -6 3 0 22.12 2.92 -6 3 0 25.87 4.50 5 -3 0 0.26 2.94 5 -3 0 2.62 2.90 5 -3 0 -0.47 1.91 -5 3 0 -1.90 2.35 -5 3 0 3.30 3.96 -5 3 0 -2.05 2.46 -5 3 0 0.48 3.00 4 -3 0 18.16 3.16 4 -3 0 19.78 2.71 4 -3 0 18.79 3.56 4 -3 0 21.45 2.86 4 -3 0 13.65 2.23 -4 3 0 16.60 2.98 -4 3 0 14.99 2.84 -4 3 0 24.26 3.21 -4 3 0 17.80 3.86 -4 3 0 15.41 2.95 3 -3 0 76.85 4.01 3 -3 0 80.05 4.77 3 -3 0 91.25 3.90 3 -3 0 77.04 3.82 3 -3 0 80.04 4.00 3 -3 0 76.18 4.63 3 -3 0 76.31 4.67 -3 3 0 82.46 4.29 -3 3 0 78.46 3.56 -3 3 0 70.16 3.72 -3 3 0 80.70 5.30 -3 3 0 77.26 4.06 -3 3 0 75.08 5.41 -3 3 0 75.24 4.45 -3 3 0 74.26 4.57 -3 3 0 94.53 5.16 2 -3 0 374.26 8.80 2 -3 0 376.14 8.85 2 -3 0 383.36 8.25 2 -3 0 384.76 9.49 2 -3 0 378.90 8.70 2 -3 0 375.69 9.51 2 -3 0 383.24 9.10 2 -3 0 381.96 8.93 2 -3 0 387.59 9.19 2 -3 0 377.85 9.71 2 -3 0 393.48 8.84 -2 3 0 369.04 8.75 -2 3 0 375.78 8.93 -2 3 0 394.10 8.83 -2 3 0 374.32 9.44 -2 3 0 376.31 10.08 -2 3 0 381.42 9.41 -2 3 0 367.61 9.00 -2 3 0 392.29 9.18 -2 3 0 396.05 9.00 -2 3 0 379.10 9.17 -2 3 0 368.30 9.54 1 -3 0 272.63 7.67 1 -3 0 276.43 7.37 1 -3 0 273.40 6.81 1 -3 0 268.95 6.74 1 -3 0 263.73 6.18 1 -3 0 269.15 6.25 -1 3 0 269.17 6.19 -1 3 0 271.70 6.15 -1 3 0 260.34 6.86 -1 3 0 277.29 7.21 -1 3 0 277.18 7.18 -1 3 0 272.56 7.18 -1 3 0 276.06 8.14 -1 3 0 271.78 7.27 0 -3 0 303.49 6.86 0 -3 0 302.04 6.00 0 -3 0 310.39 8.41 0 -3 0 303.60 6.03 0 -3 0 307.78 7.91 0 3 0 316.18 8.20 0 3 0 299.65 7.66 0 3 0 315.76 8.04 0 3 0 303.27 8.30 0 3 0 307.33 8.80 -1 -3 0 139.54 4.54 -1 -3 0 138.88 3.58 -1 -3 0 132.46 5.44 -1 -3 0 131.01 5.70 -1 -3 0 136.51 3.11 -1 -3 0 126.64 5.40 1 3 0 132.68 5.38 1 3 0 129.08 6.07 1 3 0 137.54 5.56 1 3 0 142.04 5.46 1 3 0 127.40 4.63 1 3 0 141.98 5.25 -2 -3 0 73.01 4.80 -2 -3 0 82.55 4.76 -2 -3 0 83.96 3.47 -2 -3 0 80.47 2.92 2 3 0 80.46 4.27 2 3 0 84.61 5.12 2 3 0 74.18 4.41 2 3 0 86.83 4.34 2 3 0 80.62 4.69 -3 -3 0 145.11 5.30 -3 -3 0 131.73 5.88 -3 -3 0 138.35 6.52 -3 -3 0 141.42 4.59 3 3 0 136.12 5.60 3 3 0 136.79 6.69 3 3 0 147.47 6.04 3 3 0 137.81 5.98 3 3 0 131.35 5.67 -4 -3 0 2.33 3.28 -4 -3 0 1.30 2.62 4 3 0 -0.70 2.44 4 3 0 -1.37 2.75 4 3 0 -1.14 2.76 4 3 0 0.14 3.00 -5 -3 0 24.22 4.84 -5 -3 0 19.97 3.52 5 3 0 16.26 3.82 5 3 0 17.58 4.01 5 3 0 11.63 3.55 5 3 0 16.34 3.46 -6 -3 0 191.12 7.97 -6 -3 0 180.54 9.77 6 3 0 180.23 9.89 6 3 0 185.30 9.11 6 3 0 185.35 9.17 6 3 0 179.69 8.47 -7 -3 0 11.79 3.34 -7 -3 0 4.84 4.41 7 3 0 5.48 3.54 7 3 0 8.84 4.15 7 3 0 6.47 4.19 7 3 0 7.96 4.34 -8 -3 0 34.27 6.21 8 3 0 20.37 4.45 8 3 0 24.84 5.49 8 3 0 14.45 5.05 8 3 0 20.55 5.21 -9 -3 0 11.34 5.22 9 3 0 2.03 4.99 9 3 0 11.46 4.31 9 3 0 10.03 4.84 9 3 0 9.15 5.23 9 3 0 18.65 4.46 11 -4 0 49.63 7.30 11 -4 0 51.03 7.66 11 -4 0 50.52 8.60 -11 4 0 42.08 6.60 -11 4 0 50.62 8.51 -11 4 0 47.70 7.20 10 -4 0 25.79 5.47 10 -4 0 37.28 6.40 10 -4 0 29.70 6.49 -10 4 0 37.38 7.67 -10 4 0 40.41 6.15 -10 4 0 39.04 6.52 9 -4 0 -5.10 4.79 9 -4 0 -1.62 4.82 9 -4 0 0.40 3.84 -9 4 0 1.74 4.30 -9 4 0 -2.22 4.08 -9 4 0 0.78 2.90 -9 4 0 -1.68 5.37 8 -4 0 64.62 6.70 8 -4 0 70.45 6.13 8 -4 0 76.04 8.14 -8 4 0 63.09 5.29 -8 4 0 82.00 7.59 -8 4 0 71.26 6.56 -8 4 0 79.73 8.64 7 -4 0 64.97 5.65 7 -4 0 70.01 7.02 7 -4 0 63.62 6.63 -7 4 0 61.85 6.14 -7 4 0 70.81 7.99 -7 4 0 68.78 5.17 -7 4 0 70.62 6.21 6 -4 0 11.34 2.81 6 -4 0 14.88 4.83 6 -4 0 11.58 3.93 -6 4 0 11.32 5.15 -6 4 0 10.18 4.00 -6 4 0 14.35 3.74 -6 4 0 13.42 3.67 5 -4 0 614.56 15.37 5 -4 0 589.26 15.73 5 -4 0 590.39 14.08 -5 4 0 615.03 15.06 -5 4 0 591.16 15.12 -5 4 0 608.26 14.81 -5 4 0 604.39 15.05 -5 4 0 614.50 16.59 4 -4 0 82.90 4.43 4 -4 0 113.88 5.57 4 -4 0 81.11 4.12 -4 4 0 81.69 4.36 -4 4 0 88.58 5.74 -4 4 0 79.22 5.17 -4 4 0 99.36 5.89 -4 4 0 78.52 4.63 -4 4 0 84.61 5.11 -4 4 0 77.36 6.06 -4 4 0 76.48 4.82 3 -4 0 15.30 3.21 3 -4 0 12.90 2.43 3 -4 0 10.63 2.45 3 -4 0 11.44 2.68 3 -4 0 9.48 2.43 3 -4 0 11.34 1.89 -3 4 0 10.07 2.35 -3 4 0 9.81 2.87 -3 4 0 10.88 2.26 -3 4 0 15.35 2.92 -3 4 0 9.32 2.90 -3 4 0 12.62 2.47 -3 4 0 10.60 3.11 -3 4 0 13.61 2.54 -3 4 0 10.12 3.06 2 -4 0 45.91 3.11 2 -4 0 40.99 3.31 2 -4 0 46.22 3.35 -2 4 0 41.68 4.00 -2 4 0 44.29 4.64 -2 4 0 40.39 3.16 -2 4 0 40.36 3.49 -2 4 0 47.20 4.14 -2 4 0 43.85 4.45 -2 4 0 39.64 3.52 -2 4 0 40.89 2.96 -2 4 0 37.76 3.52 -2 4 0 40.16 3.61 1 -4 0 50.39 2.61 1 -4 0 48.55 3.64 1 -4 0 46.96 2.61 -1 4 0 47.35 4.07 -1 4 0 45.04 4.03 -1 4 0 46.46 2.45 -1 4 0 53.31 4.64 -1 4 0 46.35 2.41 -1 4 0 51.72 4.28 -1 4 0 47.17 3.68 0 -4 0 127.79 4.31 0 -4 0 131.08 3.20 0 -4 0 136.72 3.24 0 -4 0 138.48 5.99 0 4 0 132.67 5.20 0 4 0 141.35 6.26 0 4 0 129.80 5.69 0 4 0 138.13 5.68 -1 -4 0 61.88 4.47 -1 -4 0 59.81 2.28 -1 -4 0 57.97 4.39 1 4 0 58.69 4.23 1 4 0 60.73 4.12 1 4 0 62.25 5.00 1 4 0 66.44 4.73 -2 -4 0 25.81 2.48 -2 -4 0 28.02 3.60 -2 -4 0 26.54 1.88 -2 -4 0 21.10 3.63 2 4 0 23.24 3.40 2 4 0 22.60 3.90 2 4 0 23.67 2.87 2 4 0 25.83 3.47 2 4 0 23.59 3.47 -3 -4 0 11.37 3.72 -3 -4 0 13.82 2.20 -3 -4 0 10.77 3.19 -3 -4 0 10.16 1.72 3 4 0 12.26 3.24 3 4 0 9.36 2.76 3 4 0 9.65 2.81 3 4 0 8.18 3.17 3 4 0 13.10 3.16 -4 -4 0 109.63 4.55 -4 -4 0 106.09 7.15 -4 -4 0 108.55 6.34 4 4 0 117.28 7.28 4 4 0 109.13 6.69 4 4 0 114.44 7.99 4 4 0 114.54 6.66 4 4 0 105.04 6.37 -5 -4 0 2.90 3.15 -5 -4 0 6.80 4.45 5 4 0 0.48 3.43 5 4 0 2.00 3.38 5 4 0 6.65 3.75 5 4 0 2.64 3.92 5 4 0 2.18 3.36 -6 -4 0 30.32 4.43 -6 -4 0 36.75 5.86 6 4 0 24.55 4.65 6 4 0 35.11 5.14 6 4 0 27.75 5.61 6 4 0 28.42 4.63 6 4 0 39.05 5.52 -7 -4 0 21.23 5.70 -7 -4 0 13.45 3.63 7 4 0 16.12 4.39 7 4 0 20.51 4.60 7 4 0 9.09 4.57 7 4 0 15.91 4.72 7 4 0 14.86 4.87 -8 -4 0 119.53 9.77 8 4 0 100.04 8.77 8 4 0 117.71 8.62 8 4 0 101.51 8.92 8 4 0 107.45 8.52 8 4 0 115.01 10.58 11 -5 0 4.59 5.87 11 -5 0 -0.79 6.06 11 -5 0 1.12 4.61 -11 5 0 -1.09 4.51 -11 5 0 8.03 6.22 -11 5 0 -3.74 4.87 10 -5 0 9.27 4.75 10 -5 0 7.78 5.35 10 -5 0 10.34 6.10 -10 5 0 13.44 4.70 -10 5 0 8.92 6.31 -10 5 0 17.38 5.34 9 -5 0 -2.94 4.73 9 -5 0 0.50 3.83 9 -5 0 1.90 4.87 -9 5 0 3.25 5.89 -9 5 0 -3.01 4.39 -9 5 0 -1.30 2.99 -9 5 0 -2.54 3.93 8 -5 0 27.23 5.52 8 -5 0 21.77 5.63 8 -5 0 20.66 4.32 -8 5 0 32.44 5.34 -8 5 0 30.08 4.11 -8 5 0 25.75 5.31 -8 5 0 20.39 6.61 7 -5 0 31.41 5.34 7 -5 0 35.70 6.30 7 -5 0 33.47 4.37 -7 5 0 40.98 5.58 -7 5 0 32.90 5.62 -7 5 0 33.81 5.17 -7 5 0 30.85 6.50 6 -5 0 14.15 4.12 6 -5 0 15.15 3.04 6 -5 0 16.00 4.92 -6 5 0 13.53 4.01 -6 5 0 19.29 3.92 -6 5 0 14.85 3.86 -6 5 0 18.70 5.55 -6 5 0 15.89 4.39 5 -5 0 50.33 4.09 5 -5 0 71.62 5.88 5 -5 0 81.59 5.82 -5 5 0 54.30 5.78 -5 5 0 60.15 6.20 -5 5 0 57.21 5.00 -5 5 0 56.28 4.83 -5 5 0 66.17 6.11 -5 5 0 51.65 5.15 -5 5 0 56.94 4.98 4 -5 0 264.29 7.45 4 -5 0 267.24 8.75 4 -5 0 268.92 9.13 4 -5 0 271.54 8.00 -4 5 0 246.11 7.64 -4 5 0 254.83 9.48 -4 5 0 250.87 9.72 -4 5 0 250.31 8.90 -4 5 0 271.76 8.69 -4 5 0 276.60 9.49 -4 5 0 270.49 9.47 -4 5 0 265.70 8.27 -4 5 0 260.82 8.20 3 -5 0 11.88 2.67 3 -5 0 9.09 2.62 3 -5 0 10.96 1.83 3 -5 0 12.08 2.87 -3 5 0 14.68 4.03 -3 5 0 9.00 2.66 -3 5 0 13.21 2.77 -3 5 0 12.60 3.16 -3 5 0 8.42 2.56 -3 5 0 11.13 2.55 -3 5 0 6.64 2.40 -3 5 0 8.96 3.34 -3 5 0 17.10 3.62 2 -5 0 267.60 7.09 2 -5 0 274.33 7.32 -2 5 0 261.40 8.14 -2 5 0 270.50 7.05 -2 5 0 277.19 8.44 -2 5 0 263.45 7.97 -2 5 0 266.72 7.92 -2 5 0 270.10 8.98 -2 5 0 274.67 7.16 -2 5 0 260.23 9.34 -2 5 0 263.66 8.84 -2 5 0 262.52 8.53 1 -5 0 85.69 5.00 1 -5 0 79.55 3.26 1 -5 0 85.96 3.29 -1 5 0 83.47 4.85 -1 5 0 88.50 5.26 -1 5 0 89.79 3.20 -1 5 0 79.44 3.12 -1 5 0 82.44 5.30 -1 5 0 83.52 5.98 -1 5 0 87.88 5.07 0 -5 0 60.52 4.65 0 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6 0 3.35 3.34 -5 6 0 -0.62 4.07 4 -6 0 32.56 4.10 4 -6 0 33.59 4.03 4 -6 0 33.09 2.99 -4 6 0 29.81 3.78 -4 6 0 28.74 4.56 -4 6 0 25.01 3.54 -4 6 0 32.34 4.32 -4 6 0 37.42 5.09 -4 6 0 24.90 5.10 -4 6 0 33.46 3.75 -4 6 0 27.28 4.29 3 -6 0 2.56 1.69 3 -6 0 2.63 2.44 3 -6 0 -0.33 2.42 -3 6 0 1.26 2.92 -3 6 0 0.05 2.82 -3 6 0 -1.92 3.46 -3 6 0 3.01 3.66 -3 6 0 -1.17 2.43 -3 6 0 -2.96 3.89 -3 6 0 -2.37 3.08 -3 6 0 0.36 2.24 2 -6 0 206.90 6.39 2 -6 0 204.55 8.17 2 -6 0 208.77 6.44 -2 6 0 204.63 8.46 -2 6 0 221.39 9.21 -2 6 0 206.48 5.99 -2 6 0 199.87 7.69 -2 6 0 206.78 7.94 -2 6 0 212.36 6.19 -2 6 0 212.18 8.29 -2 6 0 213.10 9.79 -2 6 0 215.83 8.11 1 -6 0 182.06 5.09 1 -6 0 181.53 7.97 1 -6 0 191.64 5.24 -1 6 0 190.22 9.40 -1 6 0 185.17 7.33 -1 6 0 196.48 8.11 -1 6 0 186.96 8.04 -1 6 0 192.18 7.80 -1 6 0 187.20 5.00 0 -6 0 125.95 6.71 0 6 0 138.89 6.74 0 6 0 121.48 7.73 0 6 0 129.40 6.79 0 6 0 127.15 6.81 -1 -6 0 271.37 10.39 1 6 0 283.25 9.93 1 6 0 282.26 11.28 1 6 0 278.99 10.00 1 6 0 297.66 10.05 -2 -6 0 4.89 3.91 2 6 0 3.55 3.98 2 6 0 4.56 3.33 2 6 0 -0.79 3.03 2 6 0 4.45 3.44 -3 -6 0 203.94 10.28 3 6 0 211.73 9.43 3 6 0 196.96 9.25 3 6 0 192.53 10.54 3 6 0 194.10 8.10 3 6 0 208.38 9.76 -4 -6 0 5.77 4.46 4 6 0 5.81 3.91 4 6 0 4.47 3.95 4 6 0 3.30 4.65 4 6 0 -1.50 3.44 4 6 0 5.80 3.17 -5 -6 0 7.84 4.53 5 6 0 8.34 3.93 5 6 0 1.82 3.52 5 6 0 8.96 5.41 5 6 0 17.10 4.86 5 6 0 9.09 4.80 -6 -6 0 66.26 7.64 6 6 0 67.33 6.76 6 6 0 49.93 5.86 6 6 0 69.94 7.42 6 6 0 61.70 8.20 6 6 0 67.38 7.73 -7 -6 0 2.09 4.85 7 6 0 2.05 4.17 7 6 0 -1.97 4.36 7 6 0 -0.72 5.63 7 6 0 -11.26 3.61 7 6 0 -7.30 5.18 11 -7 0 2.88 5.47 11 -7 0 -5.43 4.04 11 -7 0 -9.76 5.82 -11 7 0 11.18 7.03 -11 7 0 8.05 5.17 10 -7 0 1.13 4.85 10 -7 0 3.35 4.26 10 -7 0 4.51 5.89 -10 7 0 10.16 4.72 -10 7 0 8.68 6.52 -10 7 0 4.00 4.93 9 -7 0 28.11 6.59 9 -7 0 39.62 6.33 9 -7 0 28.26 4.94 -9 7 0 42.75 6.53 -9 7 0 50.06 8.70 -9 7 0 47.12 6.67 -9 7 0 36.34 6.42 -9 7 0 44.29 5.07 8 -7 0 136.32 9.93 8 -7 0 126.55 9.52 8 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9.99 -3 7 0 285.61 10.15 -3 7 0 290.80 10.28 -3 7 0 303.76 11.09 -3 7 0 296.07 9.83 -3 7 0 292.29 11.95 2 -7 0 145.45 7.75 2 -7 0 151.77 5.60 2 -7 0 148.09 5.56 -2 7 0 138.69 8.13 -2 7 0 146.32 9.16 -2 7 0 171.99 8.77 -2 7 0 150.92 7.49 -2 7 0 148.69 5.17 -2 7 0 146.36 5.11 -2 7 0 137.94 7.37 -2 7 0 146.79 7.26 -2 7 0 145.67 8.44 1 -7 0 4.76 1.66 1 -7 0 2.45 3.07 1 -7 0 4.09 1.48 -1 7 0 4.36 4.17 -1 7 0 1.70 4.23 -1 7 0 3.08 3.27 -1 7 0 5.52 3.86 -1 7 0 2.49 1.32 -1 7 0 3.19 3.61 0 -7 0 71.68 6.19 0 7 0 65.82 5.91 0 7 0 74.90 7.01 0 7 0 76.22 6.23 0 7 0 75.70 7.42 -1 -7 0 6.77 4.29 1 7 0 10.40 4.97 1 7 0 15.44 4.04 1 7 0 11.93 4.25 1 7 0 11.22 4.39 -2 -7 0 209.37 10.18 2 7 0 192.51 9.40 2 7 0 201.16 11.69 2 7 0 202.73 10.25 2 7 0 199.51 9.49 -3 -7 0 87.63 8.11 3 7 0 84.85 7.11 3 7 0 71.02 6.61 3 7 0 73.24 7.06 3 7 0 70.09 8.10 -4 -7 0 64.66 7.27 4 7 0 53.68 6.22 4 7 0 58.66 6.44 4 7 0 67.87 7.31 4 7 0 63.29 8.17 -5 -7 0 11.77 5.11 5 7 0 25.44 7.04 5 7 0 11.62 4.30 5 7 0 16.92 6.10 5 7 0 21.55 5.47 -6 -7 0 49.85 7.74 6 7 0 37.70 6.19 6 7 0 39.03 5.52 6 7 0 38.68 6.60 6 7 0 40.29 7.57 6 7 0 35.69 8.03 10 -8 0 12.05 4.53 10 -8 0 12.07 6.27 10 -8 0 22.42 5.91 -10 8 0 20.53 6.28 -10 8 0 23.46 7.73 -10 8 0 23.53 6.19 9 -8 0 4.53 3.74 9 -8 0 3.91 5.65 9 -8 0 1.77 5.22 -9 8 0 -1.25 5.07 -9 8 0 13.40 4.70 -9 8 0 -1.01 6.25 -9 8 0 4.37 4.43 8 -8 0 33.51 4.63 8 -8 0 33.64 6.00 8 -8 0 41.24 6.29 -8 8 0 39.99 6.35 -8 8 0 37.50 6.11 -8 8 0 27.17 7.48 -8 8 0 47.10 6.36 -8 8 0 49.26 6.45 7 -8 0 46.12 4.51 7 -8 0 53.83 6.36 7 -8 0 42.37 5.88 -7 8 0 47.77 6.31 -7 8 0 52.76 5.85 -7 8 0 48.78 6.23 -7 8 0 44.79 6.12 -7 8 0 43.70 7.18 -7 8 0 39.69 6.40 -7 8 0 52.50 6.85 6 -8 0 3.38 4.23 6 -8 0 0.80 2.50 6 -8 0 -0.07 3.83 -6 8 0 6.06 3.14 -6 8 0 3.96 4.93 -6 8 0 -0.25 4.11 -6 8 0 0.77 4.93 -6 8 0 0.16 3.85 -6 8 0 3.03 5.09 -6 8 0 2.24 4.05 -6 8 0 0.29 4.98 5 -8 0 19.72 3.01 5 -8 0 23.51 4.71 5 -8 0 22.86 4.29 -5 8 0 20.19 5.58 -5 8 0 26.89 4.12 -5 8 0 19.09 5.41 -5 8 0 20.40 4.17 -5 8 0 18.26 5.59 -5 8 0 25.50 5.25 -5 8 0 28.96 5.71 -5 8 0 21.49 4.25 4 -8 0 261.59 9.07 4 -8 0 273.42 8.02 4 -8 0 276.76 9.76 -4 8 0 267.63 10.71 -4 8 0 254.72 12.67 -4 8 0 256.82 11.29 -4 8 0 271.76 11.77 -4 8 0 257.07 10.01 -4 8 0 262.08 9.64 -4 8 0 275.42 11.61 -4 8 0 276.02 10.35 3 -8 0 49.78 4.63 3 -8 0 44.51 4.07 3 -8 0 54.25 3.96 -3 8 0 50.57 5.84 -3 8 0 55.34 5.64 -3 8 0 46.65 6.63 -3 8 0 40.45 6.57 -3 8 0 46.40 4.93 -3 8 0 53.43 6.28 -3 8 0 56.64 6.43 -3 8 0 44.30 5.48 2 -8 0 10.84 2.41 2 -8 0 10.38 4.15 2 -8 0 9.83 2.37 -2 8 0 9.86 5.10 -2 8 0 9.20 4.02 -2 8 0 13.82 5.78 -2 8 0 7.87 4.35 -2 8 0 13.67 4.96 -2 8 0 4.51 3.69 -2 8 0 15.58 4.61 -2 8 0 9.42 2.09 1 -8 0 171.59 8.83 1 -8 0 168.32 4.87 -1 8 0 163.83 9.50 -1 8 0 173.74 10.85 -1 8 0 164.42 9.23 -1 8 0 172.82 9.61 -1 8 0 177.21 9.11 0 -8 0 1.48 3.99 0 8 0 -4.97 5.05 0 8 0 0.36 3.62 0 8 0 3.59 5.35 0 8 0 -4.05 4.09 0 8 0 3.50 4.02 -1 -8 0 154.51 8.94 1 8 0 138.66 8.69 1 8 0 121.90 10.22 1 8 0 139.96 8.76 1 8 0 140.83 8.60 -2 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126.18 8.59 -6 9 0 115.73 9.83 -6 9 0 114.71 8.62 -6 9 0 127.65 11.04 -6 9 0 121.68 8.40 -6 9 0 108.13 8.77 -6 9 0 109.93 8.74 -6 9 0 124.09 6.83 -6 9 0 120.87 7.89 5 -9 0 0.78 3.51 5 -9 0 1.52 2.23 5 -9 0 -0.85 3.27 -5 9 0 -0.67 4.35 -5 9 0 6.88 3.42 -5 9 0 1.09 4.31 -5 9 0 8.18 5.74 -5 9 0 0.05 4.50 -5 9 0 -1.61 4.51 -5 9 0 2.60 3.87 -5 9 0 6.38 3.78 4 -9 0 -1.59 1.95 4 -9 0 0.85 3.12 4 -9 0 -3.97 2.80 -4 9 0 0.76 4.29 -4 9 0 -5.98 3.94 -4 9 0 -0.13 3.41 -4 9 0 -1.79 5.01 -4 9 0 -3.48 3.02 -4 9 0 4.49 5.73 -4 9 0 1.02 4.92 -4 9 0 4.48 3.79 3 -9 0 -0.85 2.54 3 -9 0 1.96 2.59 -3 9 0 3.05 3.99 -3 9 0 -2.25 5.69 -3 9 0 0.64 3.25 -3 9 0 3.97 5.24 -3 9 0 1.55 4.42 -3 9 0 3.70 4.40 -3 9 0 3.16 4.23 -3 9 0 1.43 4.01 2 -9 0 377.46 9.42 2 -9 0 385.28 13.99 2 -9 0 404.14 11.27 -2 9 0 361.40 15.58 -2 9 0 383.16 14.44 -2 9 0 350.82 15.00 -2 9 0 386.00 13.43 -2 9 0 395.02 13.51 -2 9 0 373.83 13.75 -2 9 0 372.83 12.93 1 -9 0 0.97 3.53 -1 9 0 -1.48 4.55 -1 9 0 -5.01 4.81 -1 9 0 -2.89 3.77 -1 9 0 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6.81 3.95 -6 10 0 2.09 5.16 -6 10 0 11.55 4.93 -6 10 0 10.84 4.00 -6 10 0 5.06 5.45 -6 10 0 5.71 4.56 -6 10 0 9.79 4.85 -6 10 0 12.11 6.28 5 -10 0 67.69 4.67 5 -10 0 66.51 5.72 5 -10 0 60.96 5.85 -5 10 0 62.71 6.26 -5 10 0 53.27 6.86 -5 10 0 85.32 9.69 -5 10 0 76.82 6.28 -5 10 0 68.08 7.99 -5 10 0 78.07 8.67 -5 10 0 59.17 6.99 -5 10 0 60.92 6.16 4 -10 0 87.09 4.82 4 -10 0 79.42 6.68 4 -10 0 74.41 5.89 -4 10 0 81.66 8.46 -4 10 0 75.60 6.75 -4 10 0 85.46 7.36 -4 10 0 80.30 8.65 -4 10 0 69.87 8.77 -4 10 0 87.39 7.06 -4 10 0 91.93 9.53 -4 10 0 78.51 7.47 3 -10 0 5.39 2.36 -3 10 0 5.21 4.37 -3 10 0 8.27 5.89 -3 10 0 6.85 4.82 -3 10 0 5.62 4.38 -3 10 0 -0.96 5.67 -3 10 0 7.01 4.85 -3 10 0 4.34 4.08 -3 10 0 2.25 4.54 2 -10 0 7.42 4.36 -2 10 0 5.37 6.80 -2 10 0 6.58 5.46 -2 10 0 12.97 7.09 -2 10 0 11.43 5.07 -2 10 0 14.78 5.16 -2 10 0 13.43 4.70 -2 10 0 14.00 4.86 1 -10 0 -1.23 4.28 -1 10 0 5.77 4.85 -1 10 0 7.06 5.10 -1 10 0 6.67 6.96 -1 10 0 1.24 4.75 -1 10 0 2.38 5.13 0 -10 0 16.66 5.65 0 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4 -11 146.66 9.68 1 4 -11 138.92 6.26 -1 -4 11 117.85 9.04 -1 -4 11 117.97 8.38 -1 -4 11 132.10 9.43 0 4 -11 -0.85 4.31 0 4 -11 7.14 4.96 0 4 -11 4.46 2.92 0 -4 11 7.23 4.34 0 -4 11 1.45 3.95 0 -4 11 8.11 4.89 -1 4 -11 22.02 6.47 -1 4 -11 19.35 3.94 -1 4 -11 15.28 5.78 1 -4 11 18.42 5.54 1 -4 11 15.85 4.93 1 -4 11 16.26 4.29 -2 4 -11 15.79 3.94 -2 4 -11 15.69 5.96 -2 4 -11 17.25 6.44 2 -4 11 11.48 4.97 2 -4 11 9.62 4.07 2 -4 11 7.28 4.69 -3 4 -11 34.02 7.34 -3 4 -11 31.61 5.15 3 -4 11 29.22 6.61 3 -4 11 36.05 5.72 3 -4 11 22.88 5.28 -4 4 -11 76.08 7.55 -4 4 -11 69.08 9.52 4 -4 11 72.09 7.27 4 -4 11 54.85 7.26 4 -4 11 54.21 8.21 -5 4 -11 39.02 6.12 5 -4 11 29.01 5.74 5 -4 11 21.24 6.67 5 -4 11 32.72 7.74 8 3 -11 0.98 5.32 -8 -3 11 -6.81 5.10 -8 -3 11 8.01 6.38 -8 -3 11 8.05 4.52 -8 -3 11 11.16 5.68 7 3 -11 163.41 11.07 -7 -3 11 152.87 12.19 -7 -3 11 183.69 9.63 -7 -3 11 165.98 11.22 -7 -3 11 167.44 11.08 6 3 -11 69.70 7.16 6 3 -11 63.36 8.00 -6 -3 11 51.18 6.77 -6 -3 11 55.98 7.55 -6 -3 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1 -2 13 54.21 7.91 1 -2 13 46.49 5.89 1 -2 13 47.11 6.99 2 -2 13 9.18 5.12 2 -2 13 17.07 4.94 2 -2 13 7.80 5.80 -7 -1 13 13.52 6.52 -7 -1 13 4.16 6.42 6 1 -13 102.69 8.11 -6 -1 13 78.69 8.95 5 1 -13 7.28 4.06 -5 -1 13 0.10 5.14 4 1 -13 13.45 4.85 -4 -1 13 10.66 5.55 -4 -1 13 18.53 5.10 3 1 -13 5.78 3.68 3 1 -13 9.78 4.66 -3 -1 13 8.28 4.35 -3 -1 13 -3.61 4.43 -3 -1 13 1.30 3.52 2 1 -13 -0.74 3.60 2 1 -13 7.69 4.67 -2 -1 13 0.30 3.99 -2 -1 13 -2.91 4.27 -2 -1 13 6.52 4.32 1 1 -13 14.60 5.04 -1 -1 13 12.04 4.85 -1 -1 13 18.93 4.41 -1 -1 13 9.88 4.64 -1 -1 13 13.44 5.41 0 -1 13 29.14 4.85 0 -1 13 20.89 5.45 0 -1 13 27.98 5.57 1 -1 13 1.37 4.45 1 -1 13 4.41 3.92 1 -1 13 6.97 4.68 2 -1 13 -5.33 4.29 2 -1 13 2.26 3.91 2 -1 13 -0.22 5.01 -8 0 13 17.63 5.63 -8 0 13 15.13 6.92 -8 0 13 17.82 7.05 -7 0 13 9.68 4.67 -7 0 13 4.21 6.56 -7 0 13 3.42 5.35 -6 0 13 27.57 7.34 -6 0 13 35.78 7.23 5 0 -13 2.26 3.55 -5 0 13 -5.71 5.18 -5 0 13 1.86 4.47 4 0 -13 5.94 3.83 -4 0 13 7.95 5.25 -4 0 13 14.17 4.71 3 0 -13 4.05 3.90 -3 0 13 -2.48 4.16 -3 0 13 5.51 4.00 -3 0 13 2.37 4.45 -2 0 13 22.59 5.02 -2 0 13 12.74 4.90 -2 0 13 22.12 5.45 -1 0 13 2.06 3.78 -1 0 13 2.76 3.00 -1 0 13 -1.01 3.88 -1 0 13 -4.45 4.13 0 0 13 14.16 5.32 0 0 13 16.85 4.03 0 0 13 13.11 4.55 1 0 13 1.82 4.21 1 0 13 -4.97 4.59 1 0 13 3.75 3.59 -8 1 13 79.77 9.86 -8 1 13 79.71 8.26 -8 1 13 84.39 11.09 -7 1 13 -6.79 6.18 -7 1 13 0.55 5.00 -7 1 13 7.56 4.65 -6 1 13 16.51 5.83 -6 1 13 30.38 7.64 -6 1 13 30.55 5.57 -5 1 13 14.02 5.74 -5 1 13 16.80 6.61 -4 1 13 21.40 6.34 -4 1 13 44.33 5.62 -4 1 13 42.98 6.65 -3 1 13 -1.14 5.79 -3 1 13 1.93 3.63 -3 1 13 2.07 4.18 -3 1 13 8.40 4.69 -2 1 13 0.86 4.05 -2 1 13 4.75 3.87 -2 1 13 9.82 3.29 -2 1 13 13.11 5.02 -1 1 13 4.82 4.52 -1 1 13 4.33 4.04 0 1 13 236.43 12.97 0 1 13 250.47 10.34 0 1 13 248.42 11.79 1 1 13 28.11 5.53 1 1 13 25.28 6.20 1 1 13 41.68 5.08 -8 2 13 38.14 9.28 -8 2 13 41.28 7.70 -8 2 13 42.30 7.01 -7 2 13 3.48 5.01 -7 2 13 -14.44 6.18 -7 2 13 -5.62 4.41 -6 2 13 3.90 6.62 -6 2 13 8.22 4.96 -6 2 13 1.65 5.08 -5 2 13 2.04 4.42 -5 2 13 -4.59 5.67 -5 2 13 -1.50 4.78 -4 2 13 7.11 4.92 -4 2 13 7.65 4.41 -4 2 13 -0.85 5.37 -4 2 13 4.73 3.94 -3 2 13 16.31 5.21 -3 2 13 12.22 4.23 -3 2 13 16.92 5.12 -3 2 13 10.60 5.50 -2 2 13 125.65 8.78 -2 2 13 122.52 9.34 -2 2 13 121.74 8.92 -2 2 13 90.77 10.11 -1 2 13 -5.58 3.95 -1 2 13 -0.35 3.75 0 2 13 2.54 4.01 0 2 13 11.69 3.94 0 2 13 -4.32 4.34 -7 3 13 125.47 11.35 -7 3 13 121.98 12.98 -7 3 13 130.99 9.94 -6 3 13 -1.70 4.77 -6 3 13 -10.62 5.91 -6 3 13 -1.78 5.00 -5 3 13 30.42 7.55 -5 3 13 31.87 5.89 -5 3 13 47.41 7.21 -4 3 13 66.04 7.35 -4 3 13 79.17 9.24 -4 3 13 82.32 10.73 -4 3 13 83.15 7.44 -4 3 13 80.50 8.32 -3 3 13 -2.39 4.99 -3 3 13 1.58 3.32 -3 3 13 -3.41 4.03 -3 3 13 0.41 3.76 -2 3 13 62.21 6.91 -2 3 13 72.79 7.54 -2 3 13 58.54 7.81 -2 3 13 61.58 6.51 -1 3 13 0.66 4.58 -1 3 13 0.79 3.66 -7 4 13 -0.47 5.52 -7 4 13 -7.79 5.34 -7 4 13 -7.75 6.87 -6 4 13 20.64 6.14 -6 4 13 27.28 6.34 -6 4 13 21.86 7.68 -5 4 13 -7.97 4.36 -5 4 13 -6.36 5.47 -5 4 13 -4.44 4.52 -4 4 13 72.65 7.94 -4 4 13 62.40 7.06 -4 4 13 67.81 9.36 -4 4 13 78.19 7.37 -4 4 13 70.24 7.32 -3 4 13 50.68 6.68 -3 4 13 55.07 6.76 -3 4 13 49.02 8.14 -3 4 13 56.25 6.00 -2 4 13 5.83 5.62 -2 4 13 13.85 6.10 3 5 -14 21.43 6.04 3 5 -14 26.75 7.00 -3 -5 14 11.35 5.08 -3 -5 14 10.97 6.34 -3 -5 14 17.02 6.33 2 5 -14 7.28 5.66 2 5 -14 7.24 5.12 -2 -5 14 -4.47 5.12 -2 -5 14 4.49 5.54 -2 -5 14 -0.70 4.79 1 5 -14 23.48 6.45 1 5 -14 24.81 7.24 -1 -5 14 14.86 5.97 -1 -5 14 18.08 5.62 -1 -5 14 18.29 6.59 4 4 -14 31.67 7.03 -4 -4 14 28.18 6.24 -4 -4 14 21.01 6.32 -4 -4 14 21.23 6.97 3 4 -14 30.16 6.86 3 4 -14 34.95 6.36 -3 -4 14 4.08 5.70 -3 -4 14 18.07 5.62 -3 -4 14 16.48 5.97 2 4 -14 21.98 6.60 2 4 -14 11.58 5.27 -2 -4 14 6.13 4.84 -2 -4 14 6.62 5.47 -2 -4 14 -2.73 5.03 1 4 -14 8.09 5.46 1 4 -14 13.90 5.72 -1 -4 14 11.01 5.94 -1 -4 14 6.19 5.29 -1 -4 14 3.13 4.97 0 4 -14 95.69 10.92 0 4 -14 82.26 9.55 0 -4 14 70.39 7.72 0 -4 14 54.22 8.07 0 -4 14 65.48 7.73 5 3 -14 50.39 7.64 -5 -3 14 34.41 6.43 -5 -3 14 26.06 7.23 4 3 -14 61.97 8.14 -4 -3 14 48.82 7.71 -4 -3 14 42.00 7.69 -4 -3 14 28.32 5.49 3 3 -14 33.08 6.77 3 3 -14 28.87 6.00 -3 -3 14 20.59 6.44 -3 -3 14 19.70 5.57 -3 -3 14 24.64 6.68 2 3 -14 25.57 5.86 2 3 -14 22.65 6.40 -2 -3 14 10.51 5.77 -2 -3 14 21.41 5.88 -2 -3 14 24.12 6.15 1 3 -14 6.17 4.70 1 3 -14 4.13 5.39 -1 -3 14 1.85 4.58 -1 -3 14 4.71 5.04 -1 -3 14 4.75 4.71 0 3 -14 37.85 7.13 0 3 -14 31.32 6.78 0 -3 14 19.13 5.99 0 -3 14 25.34 5.50 0 -3 14 21.84 6.08 6 2 -14 10.00 4.95 -6 -2 14 -1.26 5.52 5 2 -14 6.76 4.55 -5 -2 14 -5.93 5.42 -5 -2 14 0.00 4.01 4 2 -14 71.73 8.21 -4 -2 14 60.51 8.33 -4 -2 14 55.04 6.96 -4 -2 14 63.55 8.44 3 2 -14 28.36 6.26 -3 -2 14 24.69 6.24 -3 -2 14 9.98 5.39 -3 -2 14 15.50 5.03 2 2 -14 25.31 5.64 2 2 -14 28.42 6.46 -2 -2 14 13.06 5.88 -2 -2 14 20.26 5.70 -2 -2 14 27.17 6.04 1 2 -14 3.69 4.66 1 2 -14 5.36 4.84 -1 -2 14 -5.80 4.21 -1 -2 14 0.80 4.46 -1 -2 14 2.37 3.94 0 2 -14 13.57 5.72 0 -2 14 13.25 4.46 0 -2 14 2.67 5.24 0 -2 14 -1.54 4.57 -6 -1 14 1.34 6.00 5 1 -14 32.43 6.00 -5 -1 14 8.06 5.83 -5 -1 14 35.78 6.30 4 1 -14 8.90 4.64 -4 -1 14 3.21 3.99 -4 -1 14 5.61 5.37 -4 -1 14 9.93 4.87 3 1 -14 2.97 4.44 -3 -1 14 -0.16 4.81 -3 -1 14 -1.89 4.90 -3 -1 14 -3.62 3.99 2 1 -14 78.29 11.96 -2 -1 14 69.11 7.71 -2 -1 14 58.44 7.42 -2 -1 14 66.26 7.69 -1 -1 14 10.48 5.04 -1 -1 14 12.45 4.15 -1 -1 14 2.95 4.08 0 -1 14 -0.56 3.63 0 -1 14 -8.29 4.68 0 -1 14 -1.85 3.73 -6 0 14 76.95 9.40 -5 0 14 -2.52 5.28 -5 0 14 4.81 4.42 4 0 -14 7.13 4.55 -4 0 14 3.31 4.32 -4 0 14 -9.71 4.50 -4 0 14 4.71 4.27 -3 0 14 21.33 5.86 -3 0 14 11.03 5.46 -3 0 14 14.45 4.80 -2 0 14 8.60 4.99 -2 0 14 12.41 3.89 -2 0 14 9.03 4.81 -2 0 14 14.01 5.58 -1 0 14 -4.06 3.88 -1 0 14 1.02 3.53 -1 0 14 -3.14 4.55 -6 1 14 34.23 7.45 -5 1 14 5.43 5.74 -5 1 14 14.53 4.34 -4 1 14 -2.31 4.88 -4 1 14 4.07 4.13 -4 1 14 8.78 4.86 -3 1 14 20.63 5.83 -3 1 14 19.62 5.07 -3 1 14 24.87 6.02 -2 1 14 53.72 6.78 -2 1 14 61.19 7.22 -2 1 14 46.05 6.85 -1 1 14 57.23 7.64 -1 1 14 73.48 7.67 -6 2 14 -4.89 4.48 -6 2 14 -18.05 6.12 -5 2 14 18.85 6.00 -5 2 14 25.27 5.24 -5 2 14 11.38 8.57 -4 2 14 11.01 5.56 -4 2 14 12.85 5.05 -4 2 14 13.65 4.16 -3 2 14 -3.83 4.43 -3 2 14 1.21 3.86 -3 2 14 -1.01 4.39 -2 2 14 21.74 5.73 -2 2 14 33.34 5.73 -5 3 14 2.69 3.54 -4 3 14 58.48 6.45 -4 3 14 49.79 7.01 _exptl_absorpt_process_details 'SADABS 2014/4' _exptl_absorpt_correction_type multiscan _exptl_absorpt_correction_T_max 0.9485 _exptl_absorpt_correction_T_min 0.8862 _exptl_special_details ) The following wavelength and cell were deduced by SADABS from the direction cosines etc. They are given here for emergency use only: CELL 0.71177 9.362 10.065 11.892 95.936 105.853 109.460 ) _computing_structure_solution 'SHELXT 2014/4 (Sheldrick, 2014)' ; _shelx_hkl_checksum 53474 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 C1 C 0.6025(2) 0.3360(2) 0.45780(18) 0.0143(4) Uani 1 1 d . . . . . C2 C 0.5438(2) 0.3444(2) 0.62634(18) 0.0135(4) Uani 1 1 d . . . . . C3 C 0.6819(2) 0.4607(2) 0.63993(18) 0.0145(4) Uani 1 1 d . . . . . C4 C 0.6005(2) 0.2873(2) 0.33675(18) 0.0148(4) Uani 1 1 d . . . . . C5 C 0.7365(2) 0.3546(2) 0.30338(19) 0.0159(4) Uani 1 1 d . . . . . C6 C 0.7364(3) 0.3106(2) 0.18780(19) 0.0187(5) Uani 1 1 d . . . . . H6 H 0.8286 0.3556 0.1656 0.022 Uiso 1 1 calc R U . . . C7 C 0.6025(3) 0.2017(2) 0.1056(2) 0.0210(5) Uani 1 1 d . . . . . H7 H 0.6026 0.1730 0.0267 0.025 Uiso 1 1 calc R U . . . C8 C 0.4676(3) 0.1336(2) 0.1373(2) 0.0213(5) Uani 1 1 d . . . . . H8 H 0.3758 0.0586 0.0804 0.026 Uiso 1 1 calc R U . . . C9 C 0.4676(3) 0.1755(2) 0.25209(19) 0.0177(4) Uani 1 1 d . . . . . H9 H 0.3758 0.1277 0.2739 0.021 Uiso 1 1 calc R U . . . C10 C 0.4551(2) 0.2980(2) 0.70953(18) 0.0146(4) Uani 1 1 d . . . . . C11 C 0.3951(2) 0.1519(2) 0.71527(18) 0.0167(4) Uani 1 1 d . . . . . H11 H 0.4120 0.0826 0.6651 0.020 Uiso 1 1 calc R U . . . C12 C 0.3112(3) 0.1074(2) 0.79355(19) 0.0202(5) Uani 1 1 d . . . . . H12 H 0.2703 0.0080 0.7965 0.024 Uiso 1 1 calc R U . . . C13 C 0.2870(3) 0.2085(2) 0.86763(19) 0.0205(5) Uani 1 1 d . . . . . H13 H 0.2289 0.1781 0.9209 0.025 Uiso 1 1 calc R U . . . C14 C 0.3477(3) 0.3535(2) 0.8637(2) 0.0208(5) Uani 1 1 d . . . . . H14 H 0.3326 0.4226 0.9155 0.025 Uiso 1 1 calc R U . . . C15 C 0.4303(2) 0.3986(2) 0.78493(19) 0.0175(4) Uani 1 1 d . . . . . H15 H 0.4703 0.4981 0.7821 0.021 Uiso 1 1 calc R U . . . C16 C 0.7889(2) 0.5766(2) 0.74634(18) 0.0149(4) Uani 1 1 d . . . . . C17 C 0.8278(2) 0.5469(2) 0.86142(18) 0.0174(4) Uani 1 1 d . . . . . H17 H 0.7846 0.4506 0.8718 0.021 Uiso 1 1 calc R U . . . C18 C 0.9293(3) 0.6577(2) 0.9604(2) 0.0223(5) Uani 1 1 d . . . . . H18 H 0.9558 0.6366 1.0381 0.027 Uiso 1 1 calc R U . . . C19 C 0.9924(3) 0.7988(2) 0.9467(2) 0.0237(5) Uani 1 1 d . . . . . H19 H 1.0611 0.8743 1.0148 0.028 Uiso 1 1 calc R U . . . C20 C 0.9545(3) 0.8289(2) 0.8331(2) 0.0223(5) Uani 1 1 d . . . . . H20 H 0.9968 0.9257 0.8234 0.027 Uiso 1 1 calc R U . . . C21 C 0.8554(2) 0.7188(2) 0.7336(2) 0.0186(4) Uani 1 1 d . . . . . H21 H 0.8324 0.7403 0.6558 0.022 Uiso 1 1 calc R U . . . C22 C 0.1042(3) 0.7558(2) 0.2964(2) 0.0227(5) Uani 1 1 d . . . . . H22A H 0.0089 0.7700 0.2481 0.034 Uiso 1 1 calc R U . . . H22B H 0.0726 0.6571 0.3106 0.034 Uiso 1 1 calc R U . . . H22C H 0.1822 0.7704 0.2533 0.034 Uiso 1 1 calc R U . . . C23 C 0.0259(3) 0.8251(2) 0.4897(2) 0.0261(5) Uani 1 1 d . . . . . H23A H 0.0467 0.8944 0.5625 0.039 Uiso 1 1 calc R U . . . H23B H 0.0103 0.7293 0.5081 0.039 Uiso 1 1 calc R U . . . H23C H -0.0712 0.8202 0.4276 0.039 Uiso 1 1 calc R U . . . N1 N 0.4950(2) 0.26670(18) 0.51035(15) 0.0143(4) Uani 1 1 d . . . . . H1 H 0.4094 0.1865 0.4765 0.017 Uiso 1 1 calc R U . . . N2 N 0.7170(2) 0.45391(18) 0.53394(15) 0.0150(4) Uani 1 1 d . . . . . O1 O 0.87052(17) 0.46245(16) 0.38039(13) 0.0204(3) Uani 1 1 d . . . . . H1A H 0.8557 0.4819 0.4459 0.031 Uiso 1 1 calc R U . . . O2 O 0.20573(18) 1.02761(15) 0.40539(13) 0.0197(3) Uani 1 1 d . . . . . S1 S 0.19305(6) 0.88248(6) 0.43666(5) 0.01679(14) Uani 1 1 d . . . . . 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 C1 0.0127(10) 0.0145(10) 0.0160(10) 0.0059(8) 0.0041(8) 0.0053(8) C2 0.0134(10) 0.0136(10) 0.0149(10) 0.0042(8) 0.0041(8) 0.0069(8) C3 0.0148(10) 0.0161(10) 0.0150(10) 0.0057(8) 0.0060(8) 0.0072(8) C4 0.0159(10) 0.0157(10) 0.0144(10) 0.0061(8) 0.0050(8) 0.0072(8) C5 0.0158(10) 0.0154(10) 0.0167(10) 0.0044(8) 0.0041(8) 0.0068(8) C6 0.0193(11) 0.0221(11) 0.0192(11) 0.0070(9) 0.0102(9) 0.0095(9) C7 0.0252(12) 0.0243(12) 0.0159(11) 0.0027(9) 0.0076(9) 0.0122(10) C8 0.0203(11) 0.0203(11) 0.0176(11) -0.0001(9) 0.0017(9) 0.0057(9) C9 0.0163(10) 0.0177(10) 0.0187(11) 0.0056(8) 0.0056(9) 0.0058(8) C10 0.0112(9) 0.0172(10) 0.0148(10) 0.0058(8) 0.0034(8) 0.0047(8) C11 0.0167(10) 0.0173(10) 0.0167(10) 0.0044(8) 0.0054(9) 0.0069(8) C12 0.0210(11) 0.0196(11) 0.0214(11) 0.0105(9) 0.0075(9) 0.0071(9) C13 0.0156(10) 0.0303(12) 0.0183(11) 0.0102(9) 0.0089(9) 0.0077(9) C14 0.0180(11) 0.0262(12) 0.0198(11) 0.0031(9) 0.0079(9) 0.0097(9) C15 0.0146(10) 0.0175(10) 0.0205(11) 0.0050(8) 0.0058(9) 0.0060(8) C16 0.0110(9) 0.0180(10) 0.0176(10) 0.0020(8) 0.0069(8) 0.0065(8) C17 0.0155(10) 0.0193(11) 0.0176(11) 0.0041(8) 0.0077(9) 0.0051(8) C18 0.0173(11) 0.0318(13) 0.0177(11) 0.0013(9) 0.0077(9) 0.0090(10) C19 0.0146(10) 0.0238(12) 0.0248(12) -0.0086(9) 0.0073(9) 0.0010(9) C20 0.0183(11) 0.0157(11) 0.0345(13) 0.0019(9) 0.0143(10) 0.0047(9) C21 0.0150(10) 0.0206(11) 0.0215(11) 0.0043(9) 0.0095(9) 0.0056(9) C22 0.0244(12) 0.0234(12) 0.0184(11) -0.0002(9) 0.0059(9) 0.0091(9) C23 0.0321(13) 0.0162(11) 0.0350(14) 0.0067(10) 0.0221(11) 0.0062(10) N1 0.0113(8) 0.0141(8) 0.0148(9) 0.0029(7) 0.0040(7) 0.0017(7) N2 0.0141(8) 0.0164(9) 0.0144(9) 0.0040(7) 0.0053(7) 0.0050(7) O1 0.0159(7) 0.0225(8) 0.0183(8) -0.0004(6) 0.0080(6) 0.0009(6) O2 0.0198(8) 0.0142(7) 0.0231(8) 0.0065(6) 0.0068(7) 0.0034(6) S1 0.0162(3) 0.0166(3) 0.0165(3) 0.0042(2) 0.0040(2) 0.0058(2) 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' 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 N2 C1 N1 110.60(18) . . ? N2 C1 C4 123.34(18) . . ? N1 C1 C4 126.00(18) . . ? C3 C2 N1 105.95(17) . . ? C3 C2 C10 131.95(19) . . ? N1 C2 C10 122.10(17) . . ? C2 C3 N2 109.12(18) . . ? C2 C3 C16 129.79(19) . . ? N2 C3 C16 121.04(18) . . ? C9 C4 C5 118.53(19) . . ? C9 C4 C1 122.30(19) . . ? C5 C4 C1 119.17(18) . . ? O1 C5 C6 117.77(19) . . ? O1 C5 C4 122.18(18) . . ? C6 C5 C4 120.05(19) . . ? C7 C6 C5 120.1(2) . . ? C7 C6 H6 120.0 . . ? C5 C6 H6 120.0 . . ? C6 C7 C8 120.6(2) . . ? C6 C7 H7 119.7 . . ? C8 C7 H7 119.7 . . ? C9 C8 C7 119.6(2) . . ? C9 C8 H8 120.2 . . ? C7 C8 H8 120.2 . . ? C8 C9 C4 121.1(2) . . ? C8 C9 H9 119.4 . . ? C4 C9 H9 119.4 . . ? C15 C10 C11 118.87(19) . . ? C15 C10 C2 120.82(18) . . ? C11 C10 C2 120.30(18) . . ? C12 C11 C10 120.6(2) . . ? C12 C11 H11 119.7 . . ? C10 C11 H11 119.7 . . ? C11 C12 C13 119.9(2) . . ? C11 C12 H12 120.1 . . ? C13 C12 H12 120.1 . . ? C14 C13 C12 120.0(2) . . ? C14 C13 H13 120.0 . . ? C12 C13 H13 120.0 . . ? C13 C14 C15 120.5(2) . . ? C13 C14 H14 119.8 . . ? C15 C14 H14 119.8 . . ? C14 C15 C10 120.2(2) . . ? C14 C15 H15 119.9 . . ? C10 C15 H15 119.9 . . ? C21 C16 C17 118.66(19) . . ? C21 C16 C3 120.13(19) . . ? C17 C16 C3 121.21(19) . . ? C18 C17 C16 120.2(2) . . ? C18 C17 H17 119.9 . . ? C16 C17 H17 119.9 . . ? C19 C18 C17 120.5(2) . . ? C19 C18 H18 119.7 . . ? C17 C18 H18 119.7 . . ? C18 C19 C20 119.5(2) . . ? C18 C19 H19 120.2 . . ? C20 C19 H19 120.2 . . ? C21 C20 C19 120.4(2) . . ? C21 C20 H20 119.8 . . ? C19 C20 H20 119.8 . . ? C20 C21 C16 120.6(2) . . ? C20 C21 H21 119.7 . . ? C16 C21 H21 119.7 . . ? S1 C22 H22A 109.5 . . ? S1 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? S1 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? S1 C23 H23A 109.5 . . ? S1 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? S1 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C1 N1 C2 107.80(16) . . ? C1 N1 H1 126.1 . . ? C2 N1 H1 126.1 . . ? C1 N2 C3 106.53(17) . . ? C5 O1 H1A 109.5 . . ? O2 S1 C23 106.55(10) . . ? O2 S1 C22 105.34(10) . . ? C23 S1 C22 97.70(11) . . ? 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 C1 N2 1.328(3) . ? C1 N1 1.357(3) . ? C1 C4 1.460(3) . ? C2 C3 1.376(3) . ? C2 N1 1.379(3) . ? C2 C10 1.468(3) . ? C3 N2 1.382(3) . ? C3 C16 1.473(3) . ? C4 C9 1.400(3) . ? C4 C5 1.408(3) . ? C5 O1 1.354(2) . ? C5 C6 1.394(3) . ? C6 C7 1.380(3) . ? C6 H6 0.9500 . ? C7 C8 1.389(3) . ? C7 H7 0.9500 . ? C8 C9 1.381(3) . ? C8 H8 0.9500 . ? C9 H9 0.9500 . ? C10 C15 1.398(3) . ? C10 C11 1.400(3) . ? C11 C12 1.386(3) . ? C11 H11 0.9500 . ? C12 C13 1.389(3) . ? C12 H12 0.9500 . ? C13 C14 1.384(3) . ? C13 H13 0.9500 . ? C14 C15 1.385(3) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C16 C21 1.395(3) . ? C16 C17 1.400(3) . ? C17 C18 1.388(3) . ? C17 H17 0.9500 . ? C18 C19 1.385(3) . ? C18 H18 0.9500 . ? C19 C20 1.386(3) . ? C19 H19 0.9500 . ? C20 C21 1.385(3) . ? C20 H20 0.9500 . ? C21 H21 0.9500 . ? C22 S1 1.780(2) . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 S1 1.780(2) . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? N1 H1 0.8800 . ? O1 H1A 0.8400 . ? O2 S1 1.5132(15) . ?