#------------------------------------------------------------------------------ #$Date: 2024-11-22 01:30:57 +0200 (Fri, 22 Nov 2024) $ #$Revision: 296051 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/96/7249635.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_7249635 loop_ _publ_author_name 'Nath, Jitendra' 'Baruah, Jubaraj B.' _publ_section_title ; Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D4CE00992D _journal_year 2024 _chemical_absolute_configuration unk _chemical_formula_moiety 'C22 H15 Cl2 N3 S' _chemical_formula_sum 'C22 H15 Cl2 N3 S' _chemical_formula_weight 424.356 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_Int_Tables_number 19 _audit_creation_date 2023-11-17 _audit_creation_method ; Olex2 1.5-beta (compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748) ; _audit_update_record ; 2024-09-28 deposited with the CCDC. 2024-11-21 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.4462(3) _cell_length_b 18.6620(14) _cell_length_c 22.7605(17) _cell_measurement_reflns_used 8890 _cell_measurement_temperature 298(2) _cell_measurement_theta_max 24.77 _cell_measurement_theta_min 2.18 _cell_volume 1888.6(2) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.5-beta (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-beta (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5-beta (Bourhis et al., 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 298.00 _diffrn_measured_fraction_theta_full 0.9990 _diffrn_measured_fraction_theta_max 0.9990 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0994 _diffrn_reflns_av_unetI/netI 0.0631 _diffrn_reflns_Laue_measured_fraction_full 0.9990 _diffrn_reflns_Laue_measured_fraction_max 0.9990 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 39909 _diffrn_reflns_point_group_measured_fraction_full 0.9991 _diffrn_reflns_point_group_measured_fraction_max 0.9991 _diffrn_reflns_theta_full 25.0362 _diffrn_reflns_theta_max 25.04 _diffrn_reflns_theta_min 2.10 _diffrn_source_current 1.4 _diffrn_source_power 0.07 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.468 _exptl_absorpt_correction_T_max 0.7452 _exptl_absorpt_correction_T_min 0.6028 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1513 before and 0.0888 after correction. The Ratio of minimum to maximum transmission is 0.8089. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'clear yellowish yellow' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier yellowish _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.492 _exptl_crystal_description needle _exptl_crystal_F_000 874.077 _exptl_crystal_size_max 0.24 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.18 _refine_diff_density_max 0.5781 _refine_diff_density_min -0.5256 _refine_diff_density_rms 0.1240 _refine_ls_abs_structure_details 'Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). J. Appl. Cryst., 43, 665-668.' _refine_ls_abs_structure_Flack 0.15(5) _refine_ls_d_res_high 0.8397 _refine_ls_d_res_low 9.7162 _refine_ls_goodness_of_fit_ref 1.1760 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 30 _refine_ls_number_parameters 253 _refine_ls_number_reflns 3348 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.1760 _refine_ls_R_factor_all 0.1264 _refine_ls_R_factor_gt 0.0642 _refine_ls_shift/su_max 0.0005 _refine_ls_shift/su_mean 0.0001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0267P)^2^+2.5937P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1084 _refine_ls_wR_factor_ref 0.1401 _reflns_Friedel_coverage 0.999 _reflns_limit_h_max 5 _reflns_limit_h_min -5 _reflns_limit_k_max 22 _reflns_limit_k_min -21 _reflns_limit_l_max 27 _reflns_limit_l_min -26 _reflns_number_gt 2210 _reflns_number_total 3348 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL STZDMA1_0m_a.res in P2(1)2(1)2(1) CELL 0.71073 4.4462 18.662 22.7605 90 90 90 ZERR 4 0.0003 0.0014 0.0017 0 0 0 LATT -1 SYMM 0.5-X,-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H Cl N S UNIT 88 60 8 12 4 L.S. 30 PLAN 5 SIZE 0.24 0.21 0.18 TEMP 24.85 CONF BOND $H MORE -1 fmap 2 acta OMIT -3 50.1 OMIT 0 0 2 OMIT 0 1 1 WGHT 0.026709 2.59368 FVAR 0.508339 REM REM REM S1 5 0.61509 0.34063 0.45231 11.00000 0.08493 0.06440 0.04957 = -0.01985 0.02185 -0.01091 Cl2 3 1.42931 0.67213 0.47220 11.00000 0.06936 0.06552 0.09201 = 0.01470 0.01211 -0.01244 Cl1 3 1.18176 0.65816 0.60223 11.00000 0.09903 0.07446 0.07501 = -0.02383 0.00499 -0.02550 N3 4 0.60446 0.43760 0.54126 11.00000 0.04905 0.04673 0.03602 = -0.00359 0.00785 0.00238 AFIX 43 H3 2 0.52244 0.44677 0.57464 11.00000 -1.20000 AFIX 0 N1 4 0.21513 0.36758 0.60308 11.00000 0.04371 0.04656 0.03408 = -0.00249 -0.00342 0.00418 N2 4 0.30226 0.34167 0.54863 11.00000 0.05941 0.04395 0.04023 = -0.00939 0.00741 -0.00791 AFIX 43 H2 2 0.22290 0.30285 0.53543 11.00000 -1.20000 AFIX 0 C13 1 -0.31292 0.29075 0.71012 11.00000 0.03295 0.04199 0.03585 = 0.00594 -0.00604 0.00610 C14 1 -0.11237 0.34342 0.68722 11.00000 0.03396 0.04109 0.03484 = 0.00469 -0.00197 0.01047 C15 1 0.01249 0.33040 0.62919 11.00000 0.04818 0.03823 0.04156 = 0.00013 -0.00173 -0.00161 AFIX 43 H15 2 -0.06226 0.29101 0.60886 11.00000 -1.20000 AFIX 0 C6 1 -0.15168 0.40897 0.78108 11.00000 0.04306 0.05543 0.03636 = -0.00777 -0.00270 0.01273 C1 1 -0.03401 0.40417 0.72296 11.00000 0.03762 0.04083 0.04260 = -0.00052 -0.00714 0.00804 C16 1 0.50812 0.37610 0.51623 11.00000 0.05253 0.04244 0.03238 = -0.00200 -0.00214 0.00291 C18 1 0.89114 0.54107 0.56367 11.00000 0.04532 0.04601 0.04443 = -0.00309 0.00555 0.00342 AFIX 43 H18 2 0.81153 0.53855 0.60140 11.00000 -1.20000 AFIX 0 C17 1 0.81475 0.48962 0.52279 11.00000 0.04394 0.03735 0.04192 = 0.00035 -0.00572 0.00576 C8 1 -0.42243 0.29720 0.76901 11.00000 0.04463 0.04876 0.04305 = 0.00743 -0.00014 0.01153 C7 1 -0.33711 0.35594 0.80229 11.00000 0.05288 0.06300 0.03201 = 0.00208 0.00352 0.00691 AFIX 43 H7 2 -0.40821 0.35968 0.84060 11.00000 -1.20000 AFIX 0 C12 1 -0.41173 0.22962 0.67818 11.00000 0.05021 0.04370 0.04621 = 0.00150 -0.00076 0.00002 AFIX 43 H12 2 -0.34387 0.22294 0.63992 11.00000 -1.20000 AFIX 0 C20 1 1.19935 0.60086 0.49289 11.00000 0.03742 0.04248 0.06297 = 0.01385 -0.00256 0.00063 C22 1 0.93594 0.49422 0.46687 11.00000 0.05729 0.05544 0.03715 = -0.00259 0.00516 0.00302 AFIX 43 H22 2 0.88880 0.45958 0.43897 11.00000 -1.20000 AFIX 0 C5 1 -0.07058 0.46979 0.81647 11.00000 0.05918 0.06930 0.04179 = -0.01036 -0.00403 0.01110 AFIX 43 H5 2 -0.14508 0.47320 0.85455 11.00000 -1.20000 AFIX 0 C11 1 -0.60152 0.18096 0.70187 11.00000 0.05753 0.04564 0.06234 = 0.00400 -0.00890 0.00066 AFIX 43 H11 2 -0.66165 0.14173 0.67958 11.00000 -1.20000 AFIX 0 C2 1 0.15457 0.46116 0.70333 11.00000 0.06143 0.04720 0.04576 = -0.00653 -0.00003 -0.00106 AFIX 43 H2a 2 0.23162 0.45959 0.66536 11.00000 -1.20000 AFIX 0 C19 1 1.08519 0.59649 0.54920 11.00000 0.04747 0.05056 0.05293 = -0.00465 -0.00456 0.00298 C21 1 1.12575 0.54973 0.45230 11.00000 0.05509 0.06725 0.04610 = 0.00449 0.00659 0.01089 AFIX 43 H21 2 1.20464 0.55249 0.41453 11.00000 -1.20000 AFIX 0 C4 1 0.10907 0.52157 0.79609 11.00000 0.05743 0.05735 0.05825 = -0.01629 -0.00912 0.00674 AFIX 43 H4 2 0.15767 0.56027 0.82003 11.00000 -1.20000 AFIX 0 C9 1 -0.62336 0.24492 0.79201 11.00000 0.05063 0.06834 0.04616 = 0.01363 0.00268 0.01159 AFIX 43 H9 2 -0.69558 0.25004 0.83013 11.00000 -1.20000 AFIX 0 C3 1 0.22550 0.51790 0.73846 11.00000 0.06251 0.04975 0.06488 = -0.00251 -0.00560 -0.00845 AFIX 43 H3a 2 0.35029 0.55408 0.72449 11.00000 -1.20000 AFIX 0 C10 1 -0.71046 0.18861 0.75999 11.00000 0.05300 0.05399 0.06668 = 0.01711 0.00156 -0.00352 AFIX 43 H10 2 -0.84131 0.15479 0.77571 11.00000 -1.20000 AFIX 0 HKLF 4 END Q1 1 0.1 0.390625 0.726667 11 0.05 0.58 Q2 1 0.266667 0.34375 0.46 11 0.05 0.54 Q3 1 -0.033333 0.5 0.8 11 0.05 0.5 Q4 1 1.4 0.578125 0.433333 11 0.05 0.5 Q5 1 0.266667 0.5 0.8 11 0.05 0.47 REM The information below was added by Olex2. REM REM R1 = 0.0642 for 2210 Fo > 4sig(Fo) and 0.1264 for all 3348 data REM 253 parameters refined using 0 restraints REM Highest difference peak 0.5781, deepest hole -0.5256 REM Mean Shift 0.0001, Max Shift 0.0005. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1264 REM R1_gt = 0.0642 REM wR_ref = 0.1401 REM GOOF = 1.1760 REM Shift_max = 0.0005 REM Shift_mean = 0.0001 REM Reflections_all = 3348 REM Reflections_gt = 2210 REM Parameters = 253 REM Hole = -0.5256 REM Peak = 0.5781 REM Flack = 0.15(5) ; _cod_data_source_file d4ce00992d2.cif _cod_data_source_block 34Cl_HATU _cod_original_sg_symbol_Hall ' P 2ac 2ab' _cod_database_code 7249635 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All N(H) groups 2.a Aromatic/amide H refined with riding coordinates: C22(H22), C21(H21), C18(H18), C7(H7), C12(H12), C11(H11), C10(H10), C9(H9), C2(H2a), C3(H3a), C4(H4), C5(H5), C15(H15), N3(H3), N2(H2) ; _iucr_refine_fcf_details ; data_STZDMA1_0m_a _computing_structure_refinement 'olex2.refine 1.5-beta (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,z+1/2 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_H-M_alt 'P 21 21 21' _space_group_name_Hall ' P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall ' P 2ac 2ab' _symmetry_Int_Tables_number 19 _cell_length_a 4.4462(3) _cell_length_b 18.6620(14) _cell_length_c 22.7605(17) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1888.6(2) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -5 -7 -2 0.287 27.748 41.758 26.050 o -5 -7 -1 15.718 -45.527 60.971 12.301 o -5 -6 -5 30.602 -69.485 39.191 28.986 o -5 -6 -4 53.834 52.182 37.180 30.253 o -5 -6 -3 9.119 79.341 25.099 64.418 o -5 -6 -2 24.273 31.529 26.306 60.468 o -5 -6 -1 15.960 -10.158 24.950 70.845 o -5 -5 -6 42.035 -15.075 24.955 66.184 o -5 -5 -5 13.346 -27.305 33.922 39.242 o -5 -5 -4 31.164 28.620 28.425 51.916 o -5 -5 -3 29.637 1.990 41.975 25.377 o -5 -5 -2 17.906 -4.947 32.982 41.168 o -5 -5 -1 48.665 23.000 28.725 49.514 o -5 -4 -7 183.022 86.300 41.630 21.521 o -5 -4 -6 104.789 118.913 40.754 23.580 o -5 -4 -5 49.865 55.077 41.815 24.446 o -5 -4 -4 8.647 15.441 35.447 35.851 o -5 -4 -3 39.866 25.826 31.400 42.726 o -5 -4 -2 20.573 77.891 28.840 49.223 o -5 -4 -1 1.116 46.749 52.226 16.629 o -5 -3 -8 33.214 91.835 35.011 33.756 o -5 -3 -7 17.882 32.794 34.192 37.489 o -5 -3 -6 64.006 108.681 41.526 23.824 o -5 -3 -5 179.033 213.877 36.960 24.418 o -5 -3 -4 11.062 12.445 41.843 25.866 o -5 -3 -3 40.682 55.819 30.361 44.211 o -5 -3 -2 15.278 51.368 23.033 76.531 o -5 -3 -1 18.540 23.690 25.500 65.517 o -5 -2 -8 68.177 105.106 31.992 37.242 o -5 -2 -7 22.628 27.077 39.405 28.510 o -5 -2 -6 100.778 31.824 31.873 37.694 o -5 -2 -5 109.055 94.648 33.345 33.137 o -5 -2 -4 67.227 87.468 32.541 36.713 o -5 -2 -3 4.074 26.495 29.546 51.010 o -5 -2 -2 4.334 10.660 19.342 117.851 o -5 -2 -1 3.030 0.013 23.134 85.230 o -5 -1 -8 17.569 -1.179 42.134 25.509 o -5 -1 -7 11.647 -35.270 41.441 26.511 o -5 -1 -6 12.957 -15.433 31.520 45.339 o -5 -1 -5 3.099 8.155 30.061 50.282 o -5 -1 -4 4.185 124.842 37.235 30.647 o -5 -1 -3 6.173 84.400 64.686 10.791 o -5 -1 -2 6.245 5.046 30.373 49.123 o -5 -1 -1 21.634 96.631 23.724 67.211 o -4 -14 -4 0.163 -8.108 30.543 49.363 o -4 -14 -3 64.340 69.931 35.853 31.543 o -4 -14 -2 7.067 -49.559 30.575 48.638 o -4 -14 -1 29.845 -0.353 30.889 45.787 o -4 -13 -7 21.238 5.184 26.573 61.621 o -4 -13 -6 7.778 1.750 23.302 82.551 o -4 -13 -5 48.504 119.058 39.184 26.689 o -4 -13 -4 23.998 -6.814 29.733 49.759 o -4 -13 -3 4.620 7.066 25.644 68.571 o -4 -13 -2 29.875 21.076 34.069 37.415 o -4 -13 -1 1.399 -30.932 21.595 98.261 o -4 -12 -10 57.060 -28.174 40.754 26.163 o -4 -12 -9 23.400 83.846 48.773 18.476 o -4 -12 -8 12.076 7.610 32.957 41.361 o -4 -12 -7 46.028 -6.561 21.670 83.775 o -4 -12 -6 3.958 -1.119 18.681 129.454 o -4 -12 -5 5.067 -23.586 23.144 84.610 o -4 -12 -4 19.720 26.447 27.441 56.847 o -4 -12 -3 20.653 2.012 24.258 73.579 o -4 -12 -2 7.061 -0.008 23.132 84.159 o -4 -12 -1 9.606 -12.494 24.406 75.231 o -4 -11 -11 137.224 113.119 31.045 35.141 o -4 -11 -10 42.093 11.703 24.896 65.482 o -4 -11 -9 73.476 59.702 23.837 61.396 o -4 -11 -8 85.503 41.521 23.609 61.854 o -4 -11 -7 171.319 161.207 26.221 40.291 o -4 -11 -6 59.038 65.466 24.972 58.681 o -4 -11 -5 21.279 37.216 20.998 90.247 o -4 -11 -4 44.873 48.437 25.392 60.154 o -4 -11 -3 108.067 99.121 26.598 46.627 o -4 -11 -2 41.253 52.402 24.631 63.554 o -4 -11 -1 148.312 91.296 31.985 33.613 o -4 -10 -12 26.172 -15.331 25.363 66.878 o -4 -10 -11 55.937 65.042 29.162 45.795 o -4 -10 -10 26.974 3.419 19.332 108.745 o -4 -10 -9 19.195 4.852 31.034 46.032 o -4 -10 -8 195.285 175.669 31.038 31.159 o -4 -10 -7 74.533 22.476 19.743 85.233 o -4 -10 -6 55.941 78.137 25.397 56.717 o -4 -10 -5 204.242 155.380 30.543 31.865 o -4 -10 -4 48.803 49.836 25.685 58.386 o -4 -10 -3 5.262 -41.094 18.043 137.639 o -4 -10 -2 9.225 -13.163 19.144 120.436 o -4 -10 -1 1.232 -35.772 17.921 142.473 o -4 -9 -13 4.533 3.321 19.983 112.332 o -4 -9 -12 30.124 39.428 29.284 48.769 o -4 -9 -11 30.334 8.867 27.781 55.345 o -4 -9 -10 49.471 49.895 25.309 59.746 o -4 -9 -9 12.937 19.373 27.213 59.068 o -4 -9 -8 48.412 -0.096 21.027 87.471 o -4 -9 -7 56.110 50.984 21.621 75.427 o -4 -9 -6 20.519 42.053 21.769 84.320 o -4 -9 -5 15.418 44.431 24.650 68.429 o -4 -9 -4 58.794 31.498 20.377 84.383 o -4 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0 16.646 6.445 16.271 153.939 o 4 6 1 83.558 78.211 21.608 67.365 o 4 6 2 14.138 -7.854 14.593 193.982 o 4 6 3 17.922 -18.890 14.184 198.317 o 4 6 4 52.592 67.941 16.949 104.853 o 4 6 5 111.829 132.656 21.804 58.048 o 4 6 6 9.123 23.118 19.362 112.133 o 4 6 7 4.359 34.831 25.615 66.381 o 4 6 8 90.207 69.608 16.124 95.746 o 4 6 9 126.948 118.102 24.723 48.806 o 4 6 10 14.177 -16.386 17.232 143.268 o 4 6 11 10.367 22.095 22.913 81.939 o 4 6 12 4.427 -6.508 35.025 37.315 o 4 6 13 94.392 93.785 36.083 29.668 o 4 6 14 7.558 3.851 25.182 70.805 o 4 6 15 112.471 209.483 41.357 21.925 o 4 6 16 11.823 -7.204 42.225 25.542 o 4 7 0 156.774 185.065 25.901 41.067 o 4 7 1 10.603 43.195 19.434 106.209 o 4 7 2 151.442 163.258 21.979 50.993 o 4 7 3 28.438 65.207 24.628 64.581 o 4 7 4 144.068 193.243 25.900 41.673 o 4 7 5 209.127 199.083 23.882 40.609 o 4 7 6 144.044 119.784 24.931 46.651 o 4 7 7 234.869 242.398 25.381 35.430 o 4 7 8 45.284 97.912 17.632 96.638 o 4 7 9 73.194 95.127 28.896 43.935 o 4 7 10 124.795 108.605 28.495 40.697 o 4 7 11 15.862 68.273 25.851 60.968 o 4 7 12 7.209 -7.149 21.823 94.252 o 4 7 13 10.222 -41.491 29.817 50.800 o 4 7 14 58.355 29.330 25.374 59.681 o 4 7 15 36.877 32.598 28.337 51.419 o 4 8 0 167.353 205.328 23.234 44.728 o 4 8 1 27.297 55.230 26.107 59.245 o 4 8 2 251.841 254.288 34.234 24.595 o 4 8 3 85.594 78.477 14.200 109.042 o 4 8 4 57.676 50.149 16.164 113.307 o 4 8 5 143.072 107.433 22.369 54.007 o 4 8 6 70.618 36.421 16.735 105.610 o 4 8 7 17.637 7.330 18.563 120.724 o 4 8 8 86.114 102.131 33.956 32.992 o 4 8 9 28.983 39.833 20.301 92.597 o 4 8 10 22.385 -10.459 22.012 88.011 o 4 8 11 1.764 39.941 21.707 90.507 o 4 8 12 5.590 79.007 34.072 37.162 o 4 8 13 35.173 39.831 22.242 77.953 o 4 8 14 35.801 8.714 39.529 28.216 o 4 9 0 13.438 2.014 14.405 198.083 o 4 9 1 0.549 -16.429 15.389 193.725 o 4 9 2 21.814 -13.484 26.127 63.933 o 4 9 3 19.199 1.045 16.942 143.379 o 4 9 4 59.757 14.751 20.556 85.289 o 4 9 5 16.884 -3.461 22.729 84.381 o 4 9 6 18.934 -27.694 26.364 63.278 o 4 9 7 53.716 74.210 20.811 77.709 o 4 9 8 47.963 -5.043 25.267 63.789 o 4 9 9 14.393 25.719 20.897 95.164 o 4 9 10 48.846 33.664 26.127 57.755 o 4 9 11 29.298 26.354 28.451 52.139 o 4 9 12 30.101 67.835 35.761 33.118 o 4 9 13 4.227 36.107 34.765 36.931 o 4 10 0 171.564 144.402 30.954 32.937 o 4 10 1 1.071 -9.872 23.311 84.477 o 4 10 2 8.961 2.684 23.277 82.304 o 4 10 3 4.807 -7.268 20.116 111.540 o 4 10 4 47.725 20.382 19.635 94.638 o 4 10 5 205.551 182.509 28.476 34.069 o 4 10 6 55.062 94.162 33.675 35.058 o 4 10 7 75.022 12.359 21.594 75.663 o 4 10 8 198.660 137.660 29.430 34.086 o 4 10 9 19.233 25.085 23.110 78.159 o 4 10 10 26.505 -16.202 23.311 78.143 o 4 10 11 55.590 -17.295 22.762 74.871 o 4 10 12 26.501 9.705 32.090 42.481 o 4 11 0 145.894 187.367 32.736 30.625 o 4 11 1 146.105 156.247 29.209 36.650 o 4 11 2 40.530 79.829 21.122 78.433 o 4 11 3 108.085 89.354 25.881 48.931 o 4 11 4 44.458 11.246 21.874 81.405 o 4 11 5 20.979 -8.890 40.842 27.025 o 4 11 6 59.693 20.112 28.558 49.121 o 4 11 7 172.347 174.941 34.310 27.953 o 4 11 8 83.068 43.577 29.349 44.030 o 4 11 9 70.394 15.683 26.510 54.838 o 4 11 10 41.551 64.284 26.102 56.834 o 4 11 11 140.178 74.757 29.737 38.344 o 4 12 0 39.082 23.273 25.031 64.417 o 4 12 1 10.617 31.274 24.203 72.952 o 4 12 2 6.572 -15.374 30.296 49.573 o 4 12 3 21.409 34.513 23.055 76.918 o 4 12 4 19.514 21.523 35.588 34.919 o 4 12 5 5.338 -47.249 22.620 88.426 o 4 12 6 3.990 -34.664 34.032 39.535 o 4 12 7 48.330 6.926 23.299 72.738 o 4 12 8 12.286 -21.041 32.795 41.996 o 4 12 9 22.476 62.000 23.675 70.443 o 4 12 10 54.881 88.325 66.755 9.947 o 4 13 0 83.362 41.454 26.202 52.949 o 4 13 1 1.542 18.993 39.283 29.485 o 4 13 2 29.843 49.001 24.238 67.501 o 4 13 3 5.245 -32.388 23.497 82.083 o 4 13 4 24.447 -27.393 30.722 46.703 o 4 13 5 49.435 74.431 39.592 26.785 o 4 13 6 7.421 15.550 27.523 58.763 o 4 13 7 21.203 -30.334 29.834 49.699 o 4 13 8 25.573 -25.154 70.818 9.104 o 4 14 0 24.239 124.251 31.496 40.274 o 4 14 1 29.454 -3.109 29.939 48.613 o 4 14 2 7.324 -70.932 25.173 71.265 o 4 14 3 64.648 92.257 31.211 39.384 o 4 14 4 0.164 25.508 27.166 60.579 o 5 0 1 0.272 -15.463 25.675 69.823 o 5 0 2 0.302 -25.080 19.282 123.718 o 5 0 3 0.645 90.402 30.601 45.322 o 5 0 4 1.312 14.252 30.252 49.541 o 5 0 5 47.894 43.480 31.721 40.830 o 5 0 6 5.882 6.093 31.685 45.186 o 5 0 7 134.313 122.000 35.441 28.684 o 5 0 8 0.464 -27.457 35.486 36.556 o 5 1 0 5.330 104.912 37.261 30.928 o 5 1 1 21.651 60.023 30.736 44.510 o 5 1 2 5.810 52.028 40.238 27.510 o 5 1 3 6.345 26.704 28.483 54.481 o 5 1 4 3.770 119.285 45.666 20.973 o 5 1 5 3.012 4.631 24.581 75.091 o 5 1 6 13.465 -2.787 23.149 82.367 o 5 1 7 11.504 -10.115 30.240 49.297 o 5 1 8 17.697 7.246 38.578 30.200 o 5 2 0 1.973 44.099 22.626 83.198 o 5 2 1 3.213 -22.116 33.422 41.033 o 5 2 2 4.509 17.813 26.786 62.184 o 5 2 3 3.885 -3.096 21.355 99.540 o 5 2 4 66.276 73.357 28.630 46.014 o 5 2 5 108.740 90.400 33.600 32.839 o 5 2 6 99.407 -16.404 44.789 21.119 o 5 2 7 21.441 58.180 26.078 59.959 o 5 2 8 69.760 63.792 26.866 51.132 o 5 3 0 81.089 130.478 28.468 43.039 o 5 3 1 18.230 32.531 23.842 73.294 o 5 3 2 16.582 -17.716 26.863 61.388 o 5 3 3 40.971 37.597 22.785 73.860 o 5 3 4 11.959 0.665 20.374 105.552 o 5 3 5 178.940 295.551 45.632 17.181 o 5 3 6 65.642 106.875 38.934 26.684 o 5 3 7 17.742 31.606 29.927 48.283 o 5 3 8 33.000 34.998 30.958 44.015 o 5 4 0 88.800 111.944 31.114 37.599 o 5 4 1 1.238 -7.087 24.397 77.113 o 5 4 2 20.387 94.907 25.311 60.657 o 5 4 3 39.883 46.661 27.034 54.745 o 5 4 4 9.096 48.349 22.243 83.354 o 5 4 5 51.920 151.049 36.907 29.014 o 5 4 6 104.599 103.686 28.853 41.469 o 5 4 7 183.144 206.714 44.892 18.159 o 5 5 0 0.672 7.856 25.931 67.702 o 5 5 1 47.164 42.907 29.378 46.850 o 5 5 2 17.552 -0.146 26.851 61.300 o 5 5 3 30.324 47.700 52.388 16.224 o 5 5 4 30.478 71.204 25.648 59.553 o 5 5 5 12.903 25.459 32.305 42.330 o 5 5 6 40.894 39.096 33.669 37.170 o 5 6 0 9.695 147.464 34.236 34.934 o 5 6 1 16.007 26.699 25.733 64.586 o 5 6 2 23.012 7.443 30.542 47.039 o 5 6 3 8.829 70.008 28.715 51.127 o 5 6 4 51.609 79.657 34.663 33.812 o 5 6 5 32.132 -47.330 81.460 6.884 o 5 7 0 13.964 91.249 53.528 15.512 o 5 7 1 15.733 -14.277 41.984 25.734 o 5 7 2 0.347 -7.218 27.008 63.098 o ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x,y+1/2,-z+1/2 4 -x+1/2,-y,z+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_refinement_flags_posn S1 S 0.6151(4) 0.34063(9) 0.45231(7) 0.0663(5) Uani 1.000000 . Cl2 Cl 1.4293(4) 0.67213(9) 0.47220(8) 0.0756(6) Uani 1.000000 . Cl1 Cl 1.1818(5) 0.65816(10) 0.60223(8) 0.0828(6) Uani 1.000000 . N3 N 0.6045(11) 0.4376(2) 0.54126(18) 0.0439(12) Uani 1.000000 . N1 N 0.2151(10) 0.3676(2) 0.60308(18) 0.0414(11) Uani 1.000000 . N2 N 0.3023(10) 0.3417(2) 0.54863(18) 0.0479(12) Uani 1.000000 . C13 C -0.3129(12) 0.2907(3) 0.7101(2) 0.0369(13) Uani 1.000000 . C14 C -0.1124(12) 0.3434(3) 0.6872(2) 0.0366(12) Uani 1.000000 . C15 C 0.0125(12) 0.3304(3) 0.6292(2) 0.0427(15) Uani 1.000000 . C6 C -0.1517(13) 0.4090(3) 0.7811(2) 0.0449(15) Uani 1.000000 . C1 C -0.0340(13) 0.4042(3) 0.7230(2) 0.0403(14) Uani 1.000000 . C16 C 0.5081(13) 0.3761(3) 0.5162(2) 0.0424(15) Uani 1.000000 . C18 C 0.8911(14) 0.5411(3) 0.5637(2) 0.0453(14) Uani 1.000000 . C17 C 0.8148(13) 0.4896(3) 0.5228(2) 0.0411(14) Uani 1.000000 . C8 C -0.4224(15) 0.2972(3) 0.7690(2) 0.0455(15) Uani 1.000000 . C7 C -0.3371(13) 0.3559(3) 0.8023(2) 0.0493(15) Uani 1.000000 . C12 C -0.4117(14) 0.2296(3) 0.6782(2) 0.0467(14) Uani 1.000000 . C20 C 1.1994(13) 0.6009(3) 0.4929(3) 0.0476(15) Uani 1.000000 . C22 C 0.9359(14) 0.4942(3) 0.4669(2) 0.0500(15) Uani 1.000000 . C5 C -0.0706(15) 0.4698(3) 0.8165(3) 0.0568(17) Uani 1.000000 . C11 C -0.6015(14) 0.1810(3) 0.7019(3) 0.0552(16) Uani 1.000000 . C2 C 0.1546(15) 0.4612(3) 0.7033(2) 0.0515(16) Uani 1.000000 . C19 C 1.0852(15) 0.5965(3) 0.5492(3) 0.0503(15) Uani 1.000000 . C21 C 1.1258(15) 0.5497(3) 0.4523(3) 0.0561(17) Uani 1.000000 . C4 C 0.1091(15) 0.5216(3) 0.7961(3) 0.0577(17) Uani 1.000000 . C9 C -0.6234(15) 0.2449(3) 0.7920(3) 0.0550(17) Uani 1.000000 . C3 C 0.2255(15) 0.5179(3) 0.7385(3) 0.0590(18) Uani 1.000000 . C10 C -0.7105(14) 0.1886(3) 0.7600(3) 0.0579(17) Uani 1.000000 . H22 H 0.8888(14) 0.4596(3) 0.4390(2) 0.0600(18) Uiso 1.000000 R H21 H 1.2046(15) 0.5525(3) 0.4145(3) 0.067(2) Uiso 1.000000 R H18 H 0.8115(14) 0.5385(3) 0.6014(2) 0.0543(17) Uiso 1.000000 R H7 H -0.4082(13) 0.3597(3) 0.8406(2) 0.0592(18) Uiso 1.000000 R H12 H -0.3439(14) 0.2229(3) 0.6399(2) 0.0560(17) Uiso 1.000000 R H11 H -0.6616(14) 0.1417(3) 0.6796(3) 0.0662(19) Uiso 1.000000 R H10 H -0.8413(14) 0.1548(3) 0.7757(3) 0.069(2) Uiso 1.000000 R H9 H -0.6956(15) 0.2500(3) 0.8301(3) 0.066(2) Uiso 1.000000 R H2a H 0.2316(15) 0.4596(3) 0.6654(2) 0.0618(19) Uiso 1.000000 R H3a H 0.3503(15) 0.5541(3) 0.7245(3) 0.071(2) Uiso 1.000000 R H4 H 0.1577(15) 0.5603(3) 0.8200(3) 0.069(2) Uiso 1.000000 R H5 H -0.1451(15) 0.4732(3) 0.8545(3) 0.068(2) Uiso 1.000000 R H15 H -0.0623(12) 0.2910(3) 0.6089(2) 0.0512(17) Uiso 1.000000 R H3 H 0.5224(11) 0.4468(2) 0.57464(18) 0.0527(14) Uiso 1.000000 R H2 H 0.2229(10) 0.3029(2) 0.53543(18) 0.0574(14) Uiso 1.000000 R loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1 0.0849(13) 0.0644(10) 0.0496(9) -0.0109(11) 0.0218(10) -0.0198(8) Cl2 0.0694(11) 0.0655(11) 0.0920(13) -0.0124(10) 0.0121(11) 0.0147(10) Cl1 0.0990(15) 0.0745(11) 0.0750(11) -0.0255(12) 0.0050(11) -0.0238(10) N3 0.049(3) 0.047(3) 0.036(3) 0.002(3) 0.008(3) -0.004(2) N1 0.044(3) 0.047(3) 0.034(2) 0.004(2) -0.003(2) -0.002(2) N2 0.059(3) 0.044(3) 0.040(3) -0.008(3) 0.007(2) -0.009(2) C13 0.033(3) 0.042(3) 0.036(3) 0.006(3) -0.006(3) 0.006(3) C14 0.034(3) 0.041(3) 0.035(3) 0.010(3) -0.002(3) 0.005(3) C15 0.048(4) 0.038(3) 0.042(3) -0.002(3) -0.002(3) 0.000(3) C6 0.043(4) 0.055(4) 0.036(3) 0.013(3) -0.003(3) -0.008(3) C1 0.038(4) 0.041(3) 0.043(3) 0.008(3) -0.007(3) -0.001(3) C16 0.053(4) 0.042(3) 0.032(3) 0.003(3) -0.002(3) -0.002(3) C18 0.045(4) 0.046(3) 0.044(3) 0.003(3) 0.006(3) -0.003(3) C17 0.044(4) 0.037(3) 0.042(3) 0.006(3) -0.006(3) 0.000(3) C8 0.045(4) 0.049(4) 0.043(3) 0.012(3) -0.000(3) 0.007(3) C7 0.053(4) 0.063(4) 0.032(3) 0.007(3) 0.004(3) 0.002(3) C12 0.050(4) 0.044(3) 0.046(3) 0.000(3) -0.001(3) 0.001(3) C20 0.037(4) 0.042(3) 0.063(4) 0.001(3) -0.003(3) 0.014(3) C22 0.057(4) 0.055(4) 0.037(3) 0.003(3) 0.005(3) -0.003(3) C5 0.059(4) 0.069(4) 0.042(4) 0.011(4) -0.004(4) -0.010(3) C11 0.058(4) 0.046(4) 0.062(4) 0.001(3) -0.009(4) 0.004(3) C2 0.061(4) 0.047(3) 0.046(3) -0.001(3) -0.000(4) -0.007(3) C19 0.047(4) 0.051(4) 0.053(4) 0.003(3) -0.005(4) -0.005(3) C21 0.055(4) 0.067(4) 0.046(4) 0.011(4) 0.007(4) 0.004(3) C4 0.057(4) 0.057(4) 0.058(4) 0.007(4) -0.009(4) -0.016(3) C9 0.051(4) 0.068(4) 0.046(4) 0.012(4) 0.003(4) 0.014(3) C3 0.063(5) 0.050(4) 0.065(4) -0.008(4) -0.006(4) -0.003(3) C10 0.053(4) 0.054(4) 0.067(4) -0.004(3) 0.002(4) 0.017(3) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940 47.77840 -9.55740 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' S 0.12424 0.12443 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360 56.17200 0.86690 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 1 0 0 -1.3 2.1 1 0 0 1.5 3.2 1 0 0 -2.4 2.2 -1 0 0 -0.3 3 -1 0 0 -1.3 2.6 -1 0 0 -2 3.1 1 0 0 -0.3 2.5 1 0 0 0 1.9 1 0 0 -0.1 2.1 1 0 0 1.2 3.2 1 0 0 -1.2 1.1 -1 0 0 -2.5 2.2 -1 0 0 0.8 2.2 -1 0 0 1 3.3 -1 0 0 1.1 2.9 -1 0 0 -3.1 1.9 -1 0 0 0.6 2.1 -1 0 0 -3.3 1.6 2 0 0 7.5 6.9 -2 0 0 9.5 5.6 2 0 0 15.2 4.7 -2 0 0 12 6.5 -2 0 0 6.6 7 -2 0 0 8.9 4.7 2 0 0 4 5.9 2 0 0 2.9 9.2 -2 0 0 15 5.6 -2 0 0 10.2 6.1 2 0 0 7.3 6.3 2 0 0 3.3 5.8 2 0 0 3.1 4.9 -2 0 0 11 5.7 -2 0 0 13.9 6.3 -2 0 0 -0.5 5.6 -3 0 0 -0.1 7.8 -3 0 0 -6.3 5.8 -3 0 0 9.8 6.3 3 0 0 -6.3 7.2 3 0 0 -8.1 6.8 -3 0 0 6.3 3.7 -3 0 0 6.8 5.7 -3 0 0 6.4 3.5 -3 0 0 -4.8 6.5 3 0 0 -5.6 5.9 4 0 0 314.57 65.59 -4 0 0 134.19 32.3 4 0 0 145.49 35.7 4 0 0 250.37 53.49 -4 0 0 192.58 48.7 4 0 0 216.08 52.09 -4 0 0 203.78 38.6 5 0 0 16.8 28.6 5 0 0 9.7 16.8 5 0 0 11.4 22.2 -5 0 0 -13.6 16.3 1 1 0 97.09 12.7 1 -1 0 98.79 12.7 1 -1 0 89.29 12.4 1 1 0 76.79 9.8 -1 1 0 89.89 11.2 -1 1 0 62.69 10.2 -1 1 0 79.99 10.4 -1 1 0 74.59 11.9 1 -1 0 93.19 12.2 1 -1 0 83.69 11 1 -1 0 78.29 11.3 1 -1 0 83.09 12.9 1 -1 0 78.99 11.7 -1 -1 0 91.29 10.9 -1 -1 0 87.09 9.7 -1 -1 0 91.09 9.1 -1 1 0 76.29 12 -1 -1 0 107.49 14.2 -1 -1 0 85.59 13.1 1 1 0 74.09 10.6 1 1 0 75.29 12.1 -1 -1 0 87.69 12.1 -1 1 0 83.89 11.6 -1 1 0 80.89 12.1 -1 1 0 73.79 11.7 1 1 0 86.29 12.9 1 1 0 85.89 9.5 1 1 0 84.49 12.2 1 1 0 77.99 13 1 -1 0 95.99 12.6 -1 -1 0 84.69 12.5 -1 -1 0 87.29 10.9 -1 -1 0 95.99 11.7 -1 1 0 90.29 12.1 -2 1 0 43.6 10.9 -2 -1 0 48.7 16.4 -2 1 0 57.89 16.7 2 1 0 60.59 13.3 2 -1 0 76.59 12.7 2 1 0 40.3 11.3 -2 1 0 60.39 14.5 -2 1 0 67.09 15.8 2 1 0 48.3 17.1 -2 1 0 53.19 17 2 -1 0 41.3 13.8 2 -1 0 65.59 14.9 -2 1 0 47.9 12.8 2 -1 0 56.89 14.4 2 -1 0 65.89 18.4 2 1 0 70.29 15.5 2 1 0 57.49 18.6 -2 -1 0 41.1 12.3 -2 -1 0 62.89 15.4 -2 -1 0 48.1 12.2 -2 -1 0 70.59 12 -2 -1 0 51.89 13.3 -2 -1 0 53.39 11.8 -2 -1 0 85.59 14 -2 -1 0 66.99 17.7 -2 1 0 69.49 11.8 2 1 0 47.8 15.3 -2 1 0 48.6 13 -2 1 0 31.5 12.2 2 -1 0 62.49 15.1 -3 1 0 296.87 31.6 -3 -1 0 258.47 28.3 3 -1 0 256.17 33.7 3 -1 0 229.68 44.8 3 -1 0 264.47 35.7 -3 1 0 282.87 37.4 -3 1 0 261.67 29.8 -3 -1 0 241.08 32.6 -3 -1 0 219.38 27.4 -3 -1 0 281.77 25.1 -3 -1 0 228.78 33.2 3 1 0 223.88 33.4 3 -1 0 234.38 37.7 3 1 0 234.18 33.2 -3 1 0 263.87 31.2 -3 -1 0 254.17 27.5 -3 -1 0 225.08 33.3 -3 1 0 293.47 32.8 3 1 0 244.28 32.7 3 1 0 224.48 36.8 3 -1 0 276.27 35 -3 1 0 243.38 32 -3 1 0 264.17 31.3 3 1 0 223.88 38 -3 -1 0 267.87 32.5 4 1 0 169.48 45.8 -4 1 0 121.59 32.3 4 -1 0 142.59 41.2 -4 -1 0 102.69 26 -4 1 0 67.89 25.3 4 -1 0 78.49 26.5 -4 -1 0 78.49 23.1 -4 1 0 109.69 30.1 4 1 0 83.49 20.8 4 -1 0 133.79 39.7 4 1 0 49.6 27.7 -4 1 0 86.69 32.1 5 1 0 -7.4 23.5 5 -1 0 57.69 27.1 5 -1 0 23.3 21.5 5 -1 0 37.5 18.4 5 1 0 52.29 25.3 -5 1 0 2.4 23.7 0 2 0 46.2 4.2 0 2 0 41.7 5.1 0 -2 0 44.8 4.8 0 2 0 43.6 6 0 -2 0 42.7 4.8 0 -2 0 50.09 4.3 0 2 0 41.9 4.4 0 -2 0 47.8 3.7 0 2 0 42.5 5.8 0 -2 0 41.3 4.1 0 -2 0 39.2 5.5 1 2 0 93.79 14 1 2 0 97.69 14.8 -1 -2 0 122.99 15.8 -1 2 0 101.89 14.5 1 -2 0 99.69 14.5 1 -2 0 116.39 14.4 1 -2 0 106.39 12.2 1 2 0 100.79 11.5 1 2 0 92.29 13.4 -1 -2 0 96.99 15.4 -1 2 0 97.39 11.8 1 -2 0 93.49 10.9 -1 2 0 110.39 12.2 -1 2 0 85.99 11.3 1 2 0 104.99 15.5 -1 2 0 93.59 13.4 -1 -2 0 107.39 14 -1 -2 0 107.19 10.8 -1 -2 0 87.39 12.7 -1 -2 0 115.29 12.3 -1 2 0 85.89 10 -1 2 0 103.39 12.5 -1 2 0 99.99 13.5 1 2 0 107.99 11.8 1 -2 0 107.79 14.1 1 -2 0 111.89 14.2 1 2 0 108.89 15.3 -1 -2 0 110.79 15.7 1 -2 0 117.69 14.5 -1 2 0 107.89 13.6 -2 2 0 8.6 5.6 -2 2 0 5.7 3 -2 2 0 2.8 5.6 -2 2 0 29 12 -2 -2 0 -4.3 5.4 2 -2 0 5.5 6.8 -2 -2 0 9.8 4.9 -2 -2 0 2.4 5 2 -2 0 1.9 3.6 -2 -2 0 7.1 4.8 -2 -2 0 5.9 9.9 -2 -2 0 0.4 3.9 2 -2 0 6.3 4.9 2 -2 0 7.4 6 2 2 0 5.3 7 2 2 0 6.8 5.2 -2 2 0 3.3 3.6 2 2 0 -4 6.1 2 2 0 1.2 3.9 2 2 0 8.7 2.6 2 2 0 0.3 3.3 2 -2 0 0.9 3.3 -2 2 0 6.1 5.7 -2 2 0 -0.3 3.6 -2 -2 0 1 3.8 2 -2 0 16.2 5.3 -2 -2 0 7.6 2 2 -2 0 5.5 4 -2 -2 0 5.9 4.1 3 -2 0 289.87 40.5 -3 -2 0 269.67 31 3 2 0 287.17 33.4 -3 -2 0 279.57 36 -3 -2 0 317.97 31.1 -3 -2 0 309.47 40.5 -3 2 0 325.07 33.9 -3 2 0 295.37 30.8 -3 -2 0 288.57 30.3 -3 -2 0 292.37 28.2 3 -2 0 279.87 43.7 3 -2 0 269.57 36.3 -3 2 0 276.07 37 3 -2 0 315.27 37.4 -3 -2 0 254.87 34.9 3 -2 0 301.97 36.2 -3 2 0 292.77 35.5 -3 2 0 286.57 34.9 -3 2 0 286.87 31.8 3 2 0 283.87 34.3 3 2 0 284.77 33.2 3 2 0 241.78 39.3 -3 -2 0 321.47 28 3 2 0 244.68 40.2 -3 2 0 327.97 38.2 -4 2 0 -16.2 10.1 4 -2 0 -11.2 12 4 2 0 4.7 14.7 4 -2 0 -28.8 16.5 -4 2 0 -13.1 11 4 2 0 -0.3 14.9 -4 2 0 -13.4 13.2 4 2 0 -6.9 9.5 -4 -2 0 -16.3 10.8 -4 -2 0 -12.4 8.8 4 -2 0 0.6 12.1 -5 2 0 -6.8 10.7 5 2 0 63.59 25.5 5 -2 0 13.3 24.9 5 2 0 20.8 21.6 -5 2 0 12.4 13.8 -5 -2 0 0.2 13 5 -2 0 10.3 15.7 0 -3 0 0.5 1.1 0 -3 0 -0.9 1.2 0 3 0 -0.7 1.3 0 -3 0 -0.7 0.9 0 3 0 0.7 1.2 0 -3 0 -0.6 0.9 0 3 0 1 1.2 0 -3 0 -1.1 1.5 0 -3 0 -0.1 1.5 0 3 0 0.7 1.2 0 3 0 -0.8 1.8 0 3 0 -0.7 1.3 0 3 0 -0.5 1.9 0 -3 0 -1.2 0.9 -1 3 0 3.7 3.6 -1 3 0 9.1 6.7 -1 -3 0 13.2 6.6 -1 3 0 5.8 4.5 1 3 0 11.8 5.2 -1 -3 0 11.2 4.4 -1 -3 0 6.5 4.3 1 -3 0 11.1 3.7 1 -3 0 16.5 7.4 -1 3 0 4.4 3.1 -1 3 0 4.6 5.4 1 -3 0 13.8 4.5 1 3 0 17.1 5.5 1 3 0 7.2 5.2 1 3 0 6.7 5.9 -1 -3 0 7 3.8 -1 -3 0 16.9 4.8 1 3 0 5.3 5.4 -1 3 0 9.8 4.6 -1 -3 0 15.6 7 -1 3 0 7.8 4.2 1 3 0 9.2 5 -1 -3 0 8.2 6.1 1 -3 0 10.9 6.4 -1 3 0 12.9 5.4 -1 3 0 5.3 3.5 -2 -3 0 180.18 24 -2 3 0 158.68 27.6 2 -3 0 210.08 22.2 2 3 0 175.68 25.7 -2 3 0 146.39 19.8 -2 3 0 128.39 18.9 2 3 0 159.98 22.8 2 3 0 206.98 23 -2 -3 0 145.89 19.7 -2 -3 0 137.99 17.9 2 -3 0 169.08 23.8 -2 3 0 140.19 19.5 2 3 0 154.08 24.9 -2 3 0 173.18 22.4 -2 -3 0 156.78 24.4 -2 -3 0 180.88 20 2 3 0 143.29 29.8 2 -3 0 129.49 24.6 2 -3 0 186.68 25.6 -2 3 0 182.38 20.2 -2 3 0 203.88 25.6 -2 3 0 162.18 21 -2 -3 0 187.88 14.9 -2 -3 0 133.39 21.6 2 3 0 188.78 18.7 2 3 0 201.98 15.7 -2 -3 0 195.08 15.8 -2 -3 0 136.79 22.6 2 -3 0 187.98 24.5 2 -3 0 180.88 25.7 3 3 0 0.2 9.2 3 3 0 2.3 9.2 -3 3 0 15.7 12.3 3 -3 0 18.7 7.4 -3 3 0 2.9 6.4 -3 3 0 6.5 9 3 -3 0 1.6 8.7 -3 3 0 -3 5.2 -3 -3 0 -5.5 8.3 -3 -3 0 -6.4 7.3 3 -3 0 13.7 7 3 -3 0 17.4 6.8 -3 -3 0 7.4 4.7 -3 3 0 0.1 9.4 -3 -3 0 -0.2 5.5 -3 3 0 3.3 7.7 -3 -3 0 4.6 7.2 -3 3 0 6.8 7.1 3 -3 0 -18.2 11.5 -4 3 0 -2.1 5.9 4 -3 0 -10.9 12.4 -4 3 0 5.1 13.5 -4 -3 0 -15 11.3 4 -3 0 -23.8 14 4 3 0 -14.9 13.8 4 -3 0 49.1 24.5 -4 3 0 -10 12.4 -4 3 0 -13 10.2 4 3 0 22.7 20.4 4 -3 0 8.8 10.8 -4 -3 0 -15.5 11 4 3 0 1.3 12.5 4 -3 0 16.1 14.9 5 -3 0 39.6 31.2 5 3 0 27.9 19.9 -5 -3 0 24.6 19.7 5 -3 0 65.39 42.6 -5 3 0 36 23.7 5 -3 0 31.6 23.2 -5 3 0 14.9 11.7 5 3 0 82.49 34.2 0 -4 0 1555.74 60.59 0 4 0 1477.05 55.99 0 -4 0 1525.85 49.5 0 -4 0 1517.65 55.99 0 -4 0 1465.55 53.89 0 -4 0 1488.55 58.49 0 4 0 1518.65 52.99 0 -4 0 1540.55 49.8 0 4 0 1348.27 57.09 0 4 0 1589.04 49 0 -4 0 1704.43 47.4 0 -4 0 1641.64 51.79 0 4 0 1516.95 50.09 0 4 0 1519.45 50.29 0 4 0 1466.65 59.79 1 4 0 430.66 32.3 -1 -4 0 445.86 32.9 1 -4 0 421.06 32.7 -1 -4 0 437.16 31.3 -1 -4 0 420.46 24.2 -1 4 0 398.16 24.4 -1 4 0 427.66 27.2 -1 -4 0 472.55 31 -1 -4 0 440.76 33.5 -1 4 0 421.96 21.2 1 -4 0 454.35 35.8 1 -4 0 444.46 25.2 -1 4 0 452.85 32.4 1 4 0 446.96 34.3 -1 -4 0 426.76 26.8 1 4 0 434.76 27.5 1 4 0 459.15 32.5 1 4 0 405.46 33.2 -1 4 0 413.96 26.5 -1 -4 0 367.36 32 1 -4 0 453.85 23.6 -1 4 0 462.45 33.7 -1 4 0 446.46 24.7 -1 4 0 423.96 34.3 1 4 0 437.66 25.7 -1 4 0 477.25 32.3 1 -4 0 468.05 32.2 -1 4 0 434.06 23.1 -2 -4 0 5.8 6.8 -2 4 0 6.2 5.6 2 -4 0 -3 4.9 2 4 0 1.6 6.1 2 -4 0 5.4 6.1 -2 4 0 4.1 6.8 -2 4 0 2.9 5.9 -2 4 0 -1.9 5.4 -2 -4 0 6.9 6.1 2 -4 0 19.8 9.9 -2 -4 0 -0.3 6.5 2 -4 0 3.1 3.5 -2 -4 0 4.9 3.3 2 -4 0 5.1 5.6 -2 -4 0 0.4 4.3 2 4 0 1.5 4.4 2 4 0 8 5.2 -2 4 0 -2 4.7 -2 -4 0 9.5 6 -2 4 0 6.9 5.5 2 4 0 10.3 5.8 -2 4 0 0.3 3 2 4 0 1.1 4.2 -3 4 0 90.29 21.2 -3 4 0 120.79 17.5 3 -4 0 91.89 23.8 -3 -4 0 91.29 13.6 3 4 0 71.19 22.5 3 -4 0 92.39 23 -3 -4 0 102.29 21.1 -3 -4 0 91.89 19.9 -3 4 0 107.39 24.9 -3 -4 0 96.39 22.1 3 4 0 73.99 24 -3 4 0 81.09 22.7 3 -4 0 81.59 24.6 3 -4 0 147.89 32.6 -3 4 0 89.69 20.4 3 -4 0 63.79 19.7 3 4 0 111.19 21.9 -3 -4 0 64.19 21.7 -3 -4 0 103.59 29.5 3 -4 0 92.09 22.7 -4 4 0 7.6 9.2 4 4 0 -21.4 17 4 -4 0 -30.8 25 -4 4 0 34.1 10.9 4 4 0 41.8 11.7 4 -4 0 38.4 25.9 -4 4 0 -4.7 9.7 4 -4 0 30.1 13.8 -4 -4 0 41 15 -4 4 0 0.2 9.3 4 4 0 22.4 16.7 4 -4 0 7.3 17.1 4 -4 0 18.7 12.9 -4 -4 0 3.2 10.5 -4 4 0 36.6 14.1 5 4 0 53.19 25.7 5 -4 0 20.7 28 -5 -4 0 42.9 30.1 5 4 0 34.5 32.5 -5 -4 0 14.7 12.1 -5 4 0 101.69 39.8 -5 4 0 16.1 14.3 5 -4 0 10.6 17.6 0 -5 0 -0.3 1.5 0 5 0 -0.2 2.7 0 5 0 -0.6 1.3 0 -5 0 -2.3 1.2 0 5 0 -1.6 2.7 0 5 0 -1.1 1 0 -5 0 -1 2.6 0 5 0 -2.2 1.8 0 -5 0 -3.8 2.1 0 -5 0 -0.6 1.5 0 5 0 -2.4 2 0 -5 0 -0.6 2 0 -5 0 1 2.8 0 -5 0 -2.5 2.6 0 5 0 0.8 3.2 1 -5 0 198.88 17.1 -1 -5 0 205.58 23.9 1 5 0 223.08 24 -1 5 0 231.98 19.5 -1 5 0 227.08 16.9 1 5 0 206.78 23.1 -1 -5 0 234.18 21.1 -1 5 0 246.88 12.9 -1 5 0 212.48 23.1 1 -5 0 246.38 25.7 -1 -5 0 231.88 20.6 -1 -5 0 209.78 23 -1 5 0 232.48 22.9 1 -5 0 263.17 15.1 -1 5 0 230.08 25.6 1 5 0 216.08 18.3 -1 5 0 213.38 17.7 -1 -5 0 217.78 22.7 -1 -5 0 237.08 17.7 1 -5 0 205.68 25.2 1 5 0 238.88 20.8 -1 5 0 227.68 26 1 5 0 239.88 26 1 -5 0 187.08 18.3 1 5 0 211.58 22.2 1 -5 0 222.08 17.7 -1 -5 0 223.78 25.1 1 -5 0 239.28 23.8 -1 5 0 251.67 15.2 2 5 0 91.49 23 -2 5 0 69.89 14.8 2 -5 0 73.69 21.3 -2 5 0 75.79 17.5 2 5 0 85.29 17.8 -2 -5 0 74.39 21.7 2 5 0 50.59 16.6 -2 -5 0 84.59 16.6 2 5 0 60.59 19.3 -2 5 0 100.39 15.4 -2 5 0 105.99 14.9 -2 5 0 100.09 15.3 -2 -5 0 76.19 15.4 2 -5 0 80.79 18.6 -2 5 0 90.39 12.6 2 -5 0 71.69 18.3 2 -5 0 73.79 14.8 2 5 0 66.99 14.4 -2 -5 0 55.09 16.8 -2 5 0 84.39 20.2 -2 5 0 84.19 13.8 2 5 0 88.29 18.7 -2 5 0 74.29 18.8 -2 -5 0 78.59 17.9 -3 5 0 15.3 11.5 3 -5 0 27.6 13.9 -3 -5 0 23.8 15.1 -3 -5 0 14.7 8.6 -3 -5 0 19.2 11 -3 5 0 30.1 10 3 -5 0 48.4 19.2 3 5 0 26.4 10.3 -3 -5 0 20.3 12.2 3 5 0 28.9 11 3 -5 0 38 17.2 3 5 0 31.2 18.7 -3 5 0 8.2 9.5 -3 5 0 25.4 7 3 5 0 44.3 16.5 -3 -5 0 43.4 18.2 3 -5 0 15.4 18.5 -3 5 0 12.4 13.1 3 -5 0 31 12.4 3 -5 0 38.3 14.5 4 -5 0 34 25.3 4 5 0 32 22.9 -4 5 0 61.59 31.5 -4 -5 0 36.8 24.4 4 5 0 38.3 16.8 -4 -5 0 38.3 17.4 -4 5 0 31.5 15.6 -4 5 0 35.4 18 -4 5 0 59.99 16.8 4 5 0 60.99 23.9 4 -5 0 55.99 24.6 -4 5 0 47.7 28.6 4 -5 0 52.49 20.3 5 -5 0 -21.7 14.4 -5 -5 0 -17.8 19.5 -5 -5 0 7.6 16.2 -5 5 0 8.8 8.7 5 -5 0 36 22 5 5 0 2 24 0 6 0 7932.71 227.18 0 -6 0 8040.4 239.28 0 -6 0 7739.93 241.38 0 -6 0 8094.69 233.38 0 6 0 8165.38 221.28 0 -6 0 8941.3 216.98 0 6 0 8182.98 223.68 0 6 0 7918.91 241.68 0 -6 0 8047.29 220.98 0 -6 0 7931.31 230.68 0 6 0 8003.6 238.08 0 -6 0 8190.28 222.28 0 6 0 7919.21 234.08 0 -6 0 8325.67 224.68 1 6 0 80.69 16.6 1 -6 0 86.39 13 1 -6 0 110.99 16.2 1 6 0 104.09 13.1 -1 -6 0 96.79 15.3 1 6 0 99.79 16.2 1 -6 0 98.69 12.3 1 -6 0 100.59 20.5 -1 6 0 99.69 10.5 1 6 0 119.29 15.3 1 -6 0 89.19 19 -1 6 0 139.49 17.9 -1 -6 0 108.69 18.3 -1 6 0 108.59 13 -1 6 0 106.89 17.6 -1 6 0 138.39 14.8 -1 -6 0 108.39 12.3 1 6 0 123.59 17.7 -1 -6 0 110.59 15.1 -1 6 0 137.89 17.3 1 -6 0 116.59 13.9 -1 6 0 126.89 19.4 1 6 0 128.19 19.6 -1 -6 0 97.49 14 -1 -6 0 127.19 19.1 2 6 0 31.5 8.8 -2 -6 0 6.7 8.5 -2 -6 0 9.1 8.6 -2 6 0 25.5 10 -2 -6 0 24.1 9.9 -2 6 0 13.8 7.8 -2 -6 0 15.7 9.1 2 -6 0 26 11.1 2 6 0 17.6 8.5 2 -6 0 32.9 13.4 -2 6 0 25.1 7.2 2 6 0 29 16.1 -2 6 0 22.7 8.4 2 -6 0 9 6.6 2 -6 0 34.7 10.1 -2 -6 0 24.1 12 -2 6 0 11.6 9.6 -2 6 0 20.9 7.2 -2 6 0 24 9.9 2 6 0 26.8 12.9 2 6 0 14.2 6.7 -3 6 0 1.3 4 -3 -6 0 0.7 6.6 -3 6 0 0.2 2.9 3 -6 0 5.2 6.8 -3 6 0 -4.7 5.4 3 -6 0 18.5 12 -3 -6 0 2.4 8.8 3 -6 0 -11.5 13.3 -3 6 0 -5.9 5.3 -3 6 0 -1.8 6.1 -3 -6 0 3.9 8.6 3 6 0 -1.3 5.5 3 6 0 10.6 6.4 4 -6 0 19.3 8.8 4 6 0 -11 17.8 -4 -6 0 -10.6 9.3 4 -6 0 -8.7 27.3 4 6 0 7.5 12.5 -4 -6 0 7.6 14.5 -4 6 0 -2 7.8 -5 6 0 17.9 31 5 6 0 40.1 21.9 5 6 0 33.2 25.6 -5 -6 0 36.6 17.4 5 -6 0 48.8 14.4 0 7 0 -0.3 2.5 0 -7 0 -1.8 2.8 0 -7 0 -3 4 0 7 0 -4.3 3.5 0 -7 0 -2.7 2.3 0 -7 0 -1.4 1.2 0 7 0 -1.4 2.3 0 7 0 0.5 1.3 0 7 0 -0.2 2.7 0 -7 0 -1 2.6 0 -7 0 -4.1 2.2 0 -7 0 0.2 2.6 0 7 0 -4.2 3.7 1 -7 0 249.88 23.1 1 7 0 250.27 21.2 -1 -7 0 273.27 22.1 -1 7 0 274.67 21.7 -1 7 0 254.27 25.3 -1 7 0 235.58 27.4 -1 -7 0 242.78 27.3 -1 7 0 261.67 27.2 -1 -7 0 243.58 20.1 -1 -7 0 220.18 27.4 -1 7 0 278.67 17 1 7 0 240.88 17 1 7 0 256.17 24.8 1 -7 0 275.67 22.5 1 7 0 242.08 26.5 1 -7 0 206.98 17.7 -1 -7 0 246.98 17 1 -7 0 259.47 29.4 -1 7 0 256.17 30.5 1 -7 0 247.78 30.4 -1 -7 0 246.48 26.6 1 7 0 278.97 27.2 -1 -7 0 242.58 25.2 -1 7 0 239.58 21.4 1 7 0 240.68 24.9 1 7 0 205.78 24.5 -2 -7 0 114.19 22.8 2 7 0 165.08 21.7 -2 7 0 150.68 20.3 -2 -7 0 141.79 30.6 2 7 0 173.48 22.4 -2 -7 0 125.89 23.3 2 7 0 116.59 25.7 2 -7 0 126.49 27.9 -2 -7 0 105.09 23.9 2 7 0 135.99 20.3 -2 -7 0 145.79 18.1 2 -7 0 161.38 26.2 -2 7 0 133.39 21.7 -2 7 0 189.78 30.1 2 -7 0 124.79 18.8 2 7 0 103.99 25.9 -2 7 0 152.48 19.2 -2 7 0 164.48 27.3 -2 7 0 123.19 26.9 -2 7 0 156.98 15.8 -2 -7 0 133.79 21.5 -2 7 0 147.89 16.7 -2 7 0 173.48 22.4 -2 7 0 157.18 18.8 -3 -7 0 102.99 23.6 -3 7 0 63.29 17.6 3 -7 0 93.09 27.3 -3 7 0 117.09 25.5 -3 -7 0 89.89 26.1 3 -7 0 76.89 27.2 -3 7 0 50.39 18 -3 7 0 79.59 19.6 3 7 0 89.39 21.2 3 -7 0 96.89 23.3 3 7 0 102.59 32.6 -3 -7 0 85.69 24.7 3 7 0 121.69 30.1 3 -7 0 121.09 26.8 4 -7 0 76.19 22.7 -4 7 0 40.2 30.7 -4 -7 0 28.1 18.7 -4 7 0 56.79 16.4 -4 7 0 59.59 27 4 7 0 35.4 21.7 -4 7 0 53.69 23.4 4 7 0 37.6 19.5 -4 -7 0 26.6 18.9 4 -7 0 65.89 22.4 5 7 0 34 23.1 -5 7 0 -5.1 28.1 -5 7 0 45.5 22.8 5 -7 0 -34.4 43.3 5 -7 0 42.9 20.4 0 -8 0 248.88 19.1 0 8 0 250.37 20.5 0 -8 0 262.97 16.2 0 -8 0 225.88 25.8 0 8 0 254.77 22.6 0 8 0 264.87 27.5 0 8 0 248.68 24.8 0 -8 0 260.47 21.5 0 8 0 264.67 21 0 -8 0 265.57 17.8 0 -8 0 209.98 26.1 0 -8 0 233.68 22.5 0 -8 0 259.07 24.9 0 8 0 258.67 19.7 0 8 0 256.47 28 -1 8 0 12.7 4.6 -1 8 0 15.2 8.4 1 -8 0 19.7 7.5 1 8 0 19.1 7.5 -1 -8 0 20.2 5.7 -1 -8 0 28.4 10.5 -1 -8 0 20.5 6.2 1 -8 0 18.6 8.8 1 8 0 18.6 6.3 1 -8 0 18.3 6.8 -1 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494.25 39.4 -2 -1 2 519.05 43.7 2 -1 -2 504.25 44.4 2 1 2 436.56 42.4 -2 1 -2 487.95 39 2 -1 -2 481.45 39.4 -2 -1 2 468.15 37.6 -2 -1 2 468.95 28.6 -2 -1 2 519.25 41.9 2 1 2 491.15 35.2 2 1 2 422.46 41.1 -2 -1 2 512.05 35 2 -1 -2 467.95 40 -2 -1 2 517.15 37.9 2 1 2 442.06 39.7 -3 1 2 29.3 14.1 -3 -1 -2 33.9 19.8 3 -1 2 17.4 9.4 -3 -1 -2 23.5 10.7 -3 1 2 21.5 10.8 -3 1 2 28.2 12.9 -3 -1 -2 22.2 9.3 -3 1 2 15.9 10.3 3 -1 2 36.5 17.7 3 -1 2 32.1 17 3 1 -2 15.2 15 -3 -1 -2 27.7 9.7 3 -1 2 11.6 8 3 1 -2 19.2 12.7 3 1 -2 11.2 9.7 -3 -1 -2 23.8 10.4 -3 1 2 20.3 11.9 3 -1 2 20.7 11.3 3 1 -2 16.7 12.6 -3 -1 -2 26.9 12.7 -3 1 2 13.6 11.3 -3 1 2 17.9 10.1 3 -1 -2 43.9 13.4 -3 -1 2 8.4 8.5 3 1 2 28.9 16.9 -3 1 -2 16.3 11 -3 1 -2 20.6 12.1 -3 1 -2 39.7 14.5 3 -1 -2 35.1 10.7 3 -1 -2 23.3 12 -3 1 -2 26.1 10.4 3 -1 -2 21.2 12.5 3 1 2 21.4 14.2 3 1 2 46.8 13.8 -3 1 -2 8.3 8.7 3 1 2 26.4 11.2 -3 -1 2 11.6 9.9 3 -1 -2 67.09 23.7 -3 1 -2 25.1 10.8 -3 -1 2 10.2 9 -3 -1 2 27.8 9.8 3 1 2 35.8 16.3 -3 1 -2 28.3 11.6 -4 1 2 137.79 34.3 -4 -1 -2 76.39 29.6 -4 -1 -2 72.29 21.4 4 1 -2 64.49 27.2 4 -1 2 137.19 48.5 -4 1 2 77.29 21.9 -4 -1 -2 38.4 18.5 4 1 -2 62.89 29.5 4 -1 2 80.69 22.4 4 -1 2 97.39 39.8 4 1 -2 105.49 32.9 -4 1 -2 66.59 24.4 4 -1 -2 86.39 18.9 -4 1 -2 83.89 34.7 -4 1 -2 74.79 27 -4 -1 2 72.19 25.8 -4 1 -2 75.59 20.1 4 1 2 88.99 21.4 -4 -1 2 41.4 22.4 4 1 2 102.19 26.4 4 1 2 104.29 30.9 4 -1 -2 92.99 31.6 4 -1 -2 105.59 41.2 5 -1 2 51.79 21.4 -5 1 2 -0.9 22.4 -5 -1 -2 -13.3 22.4 5 1 -2 -32.9 26.8 5 -1 2 -44.7 38.2 5 1 -2 14.9 17.2 5 1 -2 18.7 18.7 -5 -1 -2 6.8 10 -5 1 2 -14.5 11.3 5 -1 -2 -4.1 15.7 5 1 2 -28.1 24.3 5 -1 -2 25.3 23.4 -5 1 -2 4.6 20.9 -5 -1 2 37.8 17.6 5 -1 -2 48.8 26 0 -2 2 545.65 24.6 0 2 -2 553.84 23.3 0 2 -2 533.85 26.2 0 -2 -2 516.95 25.8 0 -2 2 539.85 23.1 0 -2 2 565.44 20.4 0 2 2 546.25 26 0 -2 2 518.15 20.8 0 2 2 561.34 23.7 0 -2 -2 546.45 22.5 0 2 -2 521.45 21.5 0 2 2 557.74 20 0 -2 -2 612.74 20.6 0 2 -2 524.95 25.9 0 2 -2 554.24 19.2 0 -2 2 522.45 26 0 -2 2 531.15 25.8 0 -2 -2 547.15 23.7 0 2 2 553.04 22.7 0 -2 2 505.05 18.9 0 2 -2 561.94 24.9 0 -2 -2 537.45 20.3 0 -2 -2 541.85 20 0 2 2 549.85 21 0 2 -2 576.24 21.4 0 2 2 542.35 26.1 1 2 -2 1944.31 62.09 1 -2 2 2020.8 79.69 -1 -2 -2 1823.52 69.79 -1 2 2 1877.41 76.19 1 2 -2 1824.12 78.39 -1 2 2 1994.6 60.49 1 2 -2 1966.5 74.19 -1 -2 -2 1839.52 76.39 1 2 -2 2006.3 73.49 -1 2 2 1989.7 68.79 -1 2 2 2064.69 69.19 1 2 -2 1800.92 76.69 1 2 -2 1824.82 77.49 -1 2 2 1964.3 77.99 -1 -2 -2 1858.11 76.29 1 -2 2 1912.81 70.19 -1 2 2 1838.42 75.59 1 -2 2 1990 71.19 1 -2 2 2028.7 70.99 1 -2 2 1951 77.89 -1 2 2 1992.9 59.39 1 -2 2 1795.62 69.69 -1 -2 -2 1968 61.49 -1 -2 -2 1851.51 76.59 -1 -2 -2 1948.21 60.99 1 -2 2 1882.21 71.39 -1 -2 -2 1794.92 72.79 -1 2 2 1804.42 71.39 -1 2 2 1923.61 76.39 -1 2 -2 1875.61 76.39 -1 2 -2 1929.91 67.99 1 2 2 1874.61 72.19 1 2 2 1880.81 76.09 1 2 2 1891.51 61.09 1 -2 -2 1997.9 77.69 1 -2 -2 1966.1 60.09 -1 2 -2 1805.02 70.49 -1 -2 2 1971.4 73.09 -1 2 -2 1924.81 70.09 1 2 2 1952.5 61.89 1 -2 -2 1925.51 77.59 -1 2 -2 1860.71 68.99 1 2 2 1832.62 74.89 -1 2 -2 1924.71 76.99 -1 -2 2 1856.91 60.09 -1 2 -2 1865.61 69.59 1 -2 -2 1974.1 69.59 -1 2 -2 1817.12 69.99 -1 -2 2 1917.91 78.69 -1 -2 2 1873.81 76.79 -1 -2 2 1800.92 75.49 1 2 2 1927.21 73.29 -1 2 -2 1960.9 78.39 1 2 2 1918.21 78.89 -1 -2 2 1953.1 71.29 1 -2 -2 1913.11 76.99 1 -2 -2 1906.01 68.89 2 2 -2 292.77 32.8 -2 2 2 287.27 28.6 2 2 -2 264.77 26.6 2 -2 2 271.57 30.3 -2 2 2 216.38 25.9 2 -2 2 262.87 31.5 -2 2 2 239.48 23.2 -2 -2 -2 231.68 21.5 2 -2 2 261.47 28.1 2 -2 2 249.48 28.8 2 2 -2 227.18 30.4 -2 -2 -2 256.97 26.2 -2 2 2 203.38 26.1 -2 -2 -2 249.68 31 2 -2 2 238.48 28.4 -2 2 2 276.47 28.9 2 2 -2 254.17 30.2 -2 -2 -2 222.98 28.6 -2 -2 -2 291.07 31.5 -2 -2 -2 272.67 22.5 -2 -2 -2 270.57 30 -2 2 2 204.08 28.4 2 2 -2 287.97 23.7 -2 -2 -2 198.38 22.7 -2 2 2 276.47 23.1 2 -2 2 247.08 28.4 -2 -2 -2 266.67 26.7 2 -2 2 270.07 27 -2 2 2 299.17 28.4 -2 2 2 241.78 24.1 2 2 -2 229.48 30 -2 -2 -2 241.28 26.6 2 -2 -2 236.68 26.6 -2 2 -2 241.18 27.4 -2 2 -2 295.17 29.1 2 -2 -2 249.08 30.1 2 -2 -2 259.17 31.8 -2 2 -2 268.27 29.2 -2 -2 2 223.18 19.4 2 -2 -2 233.98 30 -2 -2 2 234.98 27 2 2 2 246.98 31.5 2 2 2 232.18 30 2 2 2 282.67 29.7 2 -2 -2 275.97 26.1 -2 -2 2 238.98 29.7 -2 2 -2 246.18 25.3 -2 2 -2 269.07 28.6 2 2 2 279.47 26.8 2 2 2 258.57 31.4 2 2 2 286.77 25.3 -2 2 -2 256.77 27 -2 -2 2 273.47 27.8 -2 -2 2 258.07 19.6 -2 2 -2 262.87 28.1 -2 -2 2 236.38 30.7 2 -2 -2 275.97 30.1 -2 2 -2 282.37 30.2 -2 2 -2 242.58 26.9 -2 -2 2 254.47 22.6 -2 2 -2 271.87 28.5 -3 2 2 88.39 24.4 -3 -2 -2 116.69 18.8 -3 2 2 97.19 20.1 3 2 -2 110.89 28.7 3 2 -2 128.89 27.8 3 -2 2 131.79 29.7 -3 -2 -2 126.49 27.7 3 -2 2 122.79 29.2 3 -2 2 118.09 26.6 3 -2 2 109.29 24.9 -3 -2 -2 137.29 32.8 -3 2 2 106.29 21.1 -3 2 2 115.49 23.1 3 2 -2 127.49 31.3 -3 2 2 155.08 21.8 -3 2 2 138.19 20.2 -3 -2 -2 114.69 15.9 -3 2 2 121.39 30.7 3 -2 2 116.09 30.3 -3 -2 -2 118.79 24.5 3 -2 2 149.39 39.4 3 2 -2 105.89 24 3 2 -2 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519.25 44.6 1 3 9 526.95 28.8 1 3 9 511.15 44.3 -2 -3 -9 202.38 34.5 2 -3 9 173.18 28.3 2 3 -9 225.38 34.5 2 -3 9 194.48 28.9 -2 3 9 190.58 25.9 -2 -3 -9 222.18 24.4 2 -3 9 170.68 24.1 -2 -3 -9 195.48 19.6 -2 -3 -9 188.78 27.4 2 3 -9 249.38 32.3 -2 3 9 210.38 24.6 2 -3 9 228.48 27.7 2 3 -9 227.18 24.6 2 -3 9 199.18 33.4 -2 3 9 163.48 31.4 2 3 -9 190.68 27.3 -2 3 9 173.38 20.1 -2 -3 9 219.18 21.7 2 3 9 147.19 29.5 2 -3 -9 168.28 32.7 2 -3 -9 202.88 25.2 -2 -3 9 215.78 26.6 2 3 9 219.58 22.1 -2 3 -9 218.48 21.5 -2 3 -9 214.78 31.4 -2 3 -9 194.38 15.6 2 -3 -9 181.18 19.7 2 -3 -9 220.68 34 2 3 9 222.68 28.5 -2 3 -9 219.98 22.5 -2 -3 9 159.98 26.1 2 3 9 172.78 27.6 -2 3 -9 226.88 32.5 -2 3 -9 178.28 20.9 -2 -3 9 216.88 23.7 2 3 9 199.38 23.6 3 -3 9 101.49 23.8 -3 3 9 44.1 17.8 3 3 -9 77.49 23.5 -3 3 9 76.19 21.6 3 -3 9 82.09 22.4 -3 -3 -9 77.89 28.4 -3 -3 -9 47.2 22.4 3 3 -9 73.19 24.2 3 -3 9 29.1 20.8 3 3 -9 32.2 17.6 -3 -3 -9 76.39 19.7 3 -3 9 132.09 32.5 3 3 9 65.09 22.2 -3 3 -9 62.79 24.1 -3 -3 9 57.39 15.2 3 3 9 55.89 25.3 -3 -3 9 44.9 18.5 3 3 9 85.79 28 3 -3 -9 80.19 24.9 3 -3 -9 82.49 24.7 -3 3 -9 95.89 33.3 3 -3 -9 121.69 31.9 -3 3 -9 108.69 25.6 -3 3 -9 47.1 13.9 4 -3 9 -13.4 17.3 -4 3 9 19.5 12.4 -4 3 9 19.1 23.7 4 3 -9 44 17.1 -4 -3 -9 21.1 10.7 -4 -3 -9 3.4 13.9 4 -3 9 40.5 33.2 4 3 -9 12.3 18 4 -3 9 51.99 22.7 4 3 9 13.2 17.7 -4 3 -9 18.6 13.7 4 3 9 -11.7 29.4 -4 3 -9 -1.2 19.7 4 -3 -9 12.2 20.6 4 -3 -9 34.5 18.1 -4 3 -9 71.59 32.9 4 3 9 22 21.2 4 -3 -9 -5.6 33.5 -4 -3 9 34.5 24.4 -4 -3 9 26.2 12.8 0 4 -9 121.69 20.4 0 -4 -9 179.18 18.6 0 -4 9 162.78 17.9 0 -4 -9 145.79 15.4 0 -4 9 174.08 16.9 0 4 -9 186.68 23.1 0 4 -9 160.98 20.1 0 4 -9 136.99 13.2 0 4 -9 125.99 19.6 0 -4 -9 152.78 23.3 0 4 -9 133.09 16.4 0 -4 -9 135.49 19.9 0 -4 -9 158.78 19.4 0 4 9 151.98 22.8 0 4 9 184.88 15.7 0 4 9 170.88 13.3 0 4 9 179.28 21 0 -4 -9 143.99 15 0 -4 9 114.29 20 0 4 -9 122.79 14.6 0 4 -9 139.39 18.8 0 -4 9 119.39 18.8 0 4 9 177.08 19.5 0 -4 9 170.78 12.1 0 4 9 168.28 17.3 0 -4 9 156.78 13.4 0 4 9 173.88 17.5 0 -4 -9 142.69 18.3 0 -4 9 162.78 22.3 1 -4 9 120.49 12.6 -1 -4 -9 183.28 23.1 -1 4 9 134.09 17.2 -1 -4 -9 143.69 12 1 4 -9 163.78 21.3 1 4 -9 155.18 16.4 -1 -4 -9 119.19 20.1 -1 4 9 145.89 20.4 -1 -4 -9 151.78 22 -1 4 9 111.09 17.4 -1 4 9 127.09 18.1 -1 -4 -9 110.19 22.4 1 -4 9 152.98 17.5 -1 4 9 147.49 19.1 -1 4 9 153.68 15.9 1 4 -9 134.19 19.2 1 -4 9 90.39 21.8 1 4 -9 139.39 20.6 1 4 -9 150.98 15 1 -4 9 131.29 19.2 1 -4 9 106.29 16.2 -1 4 9 129.29 21.4 1 4 -9 140.09 17.1 1 4 -9 94.89 20.4 -1 -4 -9 124.89 16 -1 -4 9 124.09 18.9 1 4 9 130.69 19 1 4 9 123.89 20.7 -1 4 -9 185.78 26.5 -1 4 -9 101.49 17 1 -4 -9 114.79 18.5 1 -4 -9 125.09 25.8 -1 4 -9 153.78 23.7 -1 4 -9 147.89 10 1 -4 -9 126.39 20.1 -1 4 -9 143.19 16.7 -1 -4 9 108.09 16.2 1 4 9 134.59 14.1 -1 -4 9 152.28 18.7 1 4 9 105.09 17.9 -1 -4 9 103.79 12.7 -1 -4 9 130.79 20.3 1 4 9 122.49 20.5 1 -4 -9 131.29 16.1 -1 -4 9 96.09 18.6 -1 4 -9 149.69 32.2 -1 -4 9 156.38 19 -1 4 -9 114.29 23.1 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16.8 -3 4 -9 41 11.7 3 -4 -9 43.8 24.7 3 -4 -9 16.8 15.3 -3 -4 9 28.7 13.9 3 4 9 47.4 22.6 -3 4 -9 39.5 11.2 -3 4 -9 16.1 6.5 -3 -4 9 25.7 12.7 -3 -4 9 36 16.6 -4 -4 -9 42 17.8 -4 4 9 51.49 18.9 4 4 -9 66.29 24.8 -4 -4 -9 30 16.9 -4 4 9 8.5 13.3 -4 -4 -9 4 22.1 4 -4 9 76.59 24.9 4 4 -9 63.19 22.8 4 -4 9 79.49 30.6 4 -4 9 -35.5 42.1 4 4 9 26.4 18.9 -4 4 -9 56.29 31.4 4 -4 -9 32.3 17.3 -4 -4 9 24 14.1 4 -4 -9 13.9 42.5 4 4 9 11.2 32.9 -4 4 -9 47.6 23.5 4 4 9 36.5 31 -4 4 -9 32.5 15.1 -4 4 -9 33.9 17.3 0 5 9 867.31 36.8 0 5 -9 830.32 43.7 0 5 -9 773.02 47.5 0 -5 -9 803.32 54.99 0 -5 9 763.62 52.69 0 -5 -9 774.32 45.7 0 5 9 838.62 44.7 0 5 -9 845.52 56.39 0 5 -9 860.81 50.89 0 -5 9 786.32 50.39 0 -5 -9 836.42 46.9 0 5 -9 853.31 55.39 0 -5 9 812.02 34.8 0 -5 9 833.22 55.09 0 5 9 772.22 43 0 -5 -9 829.82 57.59 0 -5 9 828.42 46.4 0 -5 9 846.02 39.8 0 5 -9 729.73 43 0 -5 9 838.32 43 0 5 9 776.42 51.79 0 5 9 783.12 51.89 0 5 9 898.21 41.8 0 -5 9 858.01 32.4 0 -5 -9 697.93 39 0 -5 -9 796.92 45 0 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32.2 15.6 -3 5 -9 16.8 19.4 3 5 9 30.3 18.3 3 -5 -9 47.9 19.3 4 -5 9 47.3 35.8 -4 5 9 24.6 19.1 -4 -5 -9 29.4 19.4 -4 5 9 91.99 25.3 4 -5 9 63.59 30.6 -4 -5 -9 41.3 25.1 -4 -5 -9 15.3 21.2 4 5 -9 63.29 34.8 4 5 -9 56.49 22.7 4 5 -9 40.2 15.2 4 -5 9 82.29 50.39 -4 5 -9 48 24.5 -4 5 -9 28 20.5 4 -5 -9 51.29 14.7 4 5 9 53.69 37.4 4 5 9 64.59 28.4 4 -5 -9 47.2 26.8 4 -5 -9 20 46.2 -4 -5 9 29 17.8 -4 -5 9 75.69 25.4 -4 5 -9 95.19 36.2 -4 5 -9 61.49 24.2 4 5 9 66.89 35.4 -4 5 -9 24.1 14.3 0 -6 -9 64.29 18.5 0 -6 9 84.59 20.3 0 -6 9 70.49 11.6 0 6 9 58.89 12.3 0 6 -9 85.39 18.4 0 6 -9 56.19 14.4 0 6 9 67.69 10.4 0 6 -9 92.29 15.8 0 6 9 59.49 13.4 0 6 9 59.89 15.8 0 -6 9 63.99 14.8 0 -6 -9 77.89 9.9 0 -6 -9 68.89 9.8 0 6 9 57.69 12.5 0 -6 -9 97.99 15.1 0 6 -9 63.99 13.8 0 -6 9 54.79 15.1 0 -6 -9 48.7 12.6 0 -6 -9 49.1 11.7 0 -6 9 62.89 7.6 0 -6 9 74.69 8.8 0 6 9 81.39 10.7 0 6 9 52.39 11.8 1 6 -9 67.89 15.6 -1 6 9 87.09 20.6 -1 6 9 67.59 18 1 6 -9 79.59 18.6 -1 -6 -9 52.79 16 -1 6 9 62.69 14.4 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55.49 29.6 0 10 -23 -1.9 17.9 1 10 -23 -7 24.8 -1 10 23 12.2 10.2 -1 -10 -23 34.1 27.1 1 -10 23 -30.6 25.9 1 10 -23 -8.2 10.9 1 10 23 5.4 13.9 -1 10 -23 -2.1 20 -1 -10 23 -22.4 18.7 -1 10 -23 -33.5 37.8 -1 10 -23 -5.8 16.3 1 -10 -23 -57.49 39 -1 -10 23 9.6 11.6 0 -11 23 106.39 35.4 0 11 -23 90.99 31.4 0 -11 23 55.09 19.6 0 11 23 55.49 24.3 0 -11 -23 75.39 27.6 0 -11 -23 133.79 35.2 0 0 24 -16.2 14.8 0 0 -24 19.4 28.1 0 0 -24 20.7 9.7 0 0 24 10.5 11.1 1 0 24 10.9 16.9 -1 0 24 4.5 8.2 1 0 -24 -9.3 18.8 -1 0 -24 24.8 10.3 1 0 -24 5.9 17 -1 0 24 22 9.2 -1 0 -24 41.6 20.4 -2 0 24 -11.1 10.9 -2 0 -24 -5.1 30 2 0 24 3.1 15.3 2 0 -24 -43.2 22.5 2 0 24 -20.1 24.3 2 0 -24 7.9 17.7 0 1 -24 -8.6 8.2 0 1 24 -4.8 11.7 0 -1 24 -31.3 15.1 0 1 -24 -2.9 14.6 0 -1 -24 -29.8 32.3 0 -1 24 -7 8.9 0 1 24 -0.1 8.9 -1 -1 -24 -6.8 12.2 1 1 -24 -0.6 12.1 1 -1 24 -3.8 10.2 1 1 -24 19.8 18.1 -1 -1 -24 8.9 23.9 -1 -1 -24 8.3 20 -1 1 24 7.7 10 1 -1 24 22.8 24.3 -1 -1 24 10.6 8.7 1 1 24 -16.4 15.3 1 -1 -24 -16.4 12 -1 -1 24 1.5 10.1 1 1 24 12.5 17.3 -1 1 -24 5.7 32.6 1 1 24 21.7 7.9 -2 -1 -24 20 26.8 2 1 -24 -15.1 23.1 -2 -1 -24 55.09 28.7 -2 -1 -24 12 12.8 2 -1 24 -12.9 12.4 2 1 -24 42.3 20.4 -2 1 24 8.8 13.6 -2 1 24 15 10.3 2 -1 -24 2.9 24.5 -2 -1 24 33 12.7 2 1 24 -13 28.7 -2 -1 24 8.3 14 -2 1 -24 34.5 24.4 -2 1 -24 25.4 10.3 -2 1 -24 27.4 32.1 2 -1 -24 -21.2 19 2 1 24 8.9 27.7 2 1 24 32.4 22.5 0 -2 24 9.7 4.9 0 2 24 4.5 14.8 0 2 24 -10.7 9.9 0 -2 24 10 10.5 0 2 -24 9.5 15.2 0 -2 24 22 12.8 0 -2 -24 10.5 28.4 0 2 -24 -8.8 12 -1 2 24 0.8 10.6 1 -2 24 4.6 10.7 -1 -2 -24 0.9 18 -1 -2 -24 19 14.4 -1 2 24 -4.8 4.9 1 2 -24 -21.7 22.2 -1 -2 24 3.3 9.9 1 2 24 6.3 12.2 -1 -2 24 -0.7 8.6 1 -2 -24 -6.8 17 1 -2 -24 -4.6 16.9 -1 2 -24 -39.2 29.7 -1 2 -24 22.1 10.7 1 2 24 17.7 15.2 -2 2 24 -5.2 8.9 2 2 -24 -0.8 20.1 -2 -2 -24 -45.8 22.3 2 -2 24 -15 12.9 -2 2 24 9.2 7 -2 -2 -24 38.2 22.1 2 2 -24 -1.4 29.7 -2 -2 24 -0.1 14.4 -2 2 -24 -5.1 15.6 2 -2 -24 2.4 16.8 -2 2 -24 -12.7 26.5 -2 2 -24 43.2 21.6 -2 -2 24 -2.4 10.2 0 3 -24 7.8 20.4 0 3 24 27.7 20.2 0 -3 -24 15.1 16.3 0 -3 24 8.1 12.1 0 3 24 31.1 18.9 0 -3 24 61.89 24.2 1 3 -24 37 29.9 -1 -3 -24 23.8 24.3 -1 3 24 51.69 19.9 -1 3 24 52.99 16.6 1 -3 24 90.69 29.8 -1 -3 -24 87.79 32.4 1 -3 24 130.09 38.7 1 3 -24 20.4 26 -1 3 -24 42.7 22.7 1 3 24 -9.3 24.9 -1 -3 24 38.5 16.2 -1 -3 24 79.59 16.5 1 3 24 97.49 26.8 1 3 24 62.09 22.6 -1 3 -24 48.7 47.9 1 -3 -24 39.9 22.7 2 3 -24 26.9 28.3 -2 3 24 -0.5 11.7 -2 3 24 7.2 10.1 2 3 -24 -21.1 20.4 -2 -3 -24 -4.3 31.7 2 -3 24 -25.8 26.3 2 3 24 35.3 23 2 -3 -24 37.9 29.8 2 3 24 -15.5 14.4 -2 -3 24 -11.9 11.6 -2 3 -24 -30.4 29.6 -2 3 -24 -16.6 10.4 0 -4 -24 7.3 17.9 0 -4 -24 51.29 36.1 0 -4 24 -8.3 21.7 0 -4 24 -0.3 9.9 0 4 24 0.6 13 0 4 24 -6.3 12.5 0 4 -24 19.1 18.8 0 4 -24 99.69 44.9 -1 -4 -24 -9.3 31.4 -1 -4 -24 -31.9 20 1 -4 24 -39.1 26 -1 4 24 -19.7 10.8 -1 -4 -24 -8.2 27.2 1 4 -24 8.7 21.7 1 -4 24 27.2 16.6 1 4 -24 -14.4 12.4 -1 4 24 22.6 10.2 -1 -4 24 -2 10.6 -1 4 -24 -0.8 15.2 1 4 24 14.9 10.7 -1 -4 24 13.2 10.7 -1 4 -24 44.1 33.1 1 4 24 9.5 14.1 1 -4 -24 -11.6 14.4 -2 -4 -24 -31.7 26.1 2 4 -24 -0.6 18.8 -2 -4 -24 38.7 23.8 -2 -4 -24 14.5 12 2 -4 24 25 17 2 -4 24 21.7 25.7 -2 4 24 9.1 11.2 2 4 -24 23.7 37 -2 4 24 3.5 6.2 -2 -4 24 -8.7 10.7 2 -4 -24 3.1 20.8 -2 4 -24 -19.1 14.5 2 -4 -24 -8.9 16 -2 -4 24 10.1 11 2 4 24 -6.9 15.5 -2 4 -24 17.7 24.6 0 5 -24 -8.4 14.5 0 -5 -24 16.2 28.5 0 5 -24 0.4 17.2 0 -5 24 0.9 9.7 0 -5 -24 1.3 11.1 0 5 24 -14.7 13.3 0 5 24 0 11.7 0 -5 24 -4.1 16.1 0 5 -24 70.89 36.5 1 5 -24 33.1 18.4 1 5 -24 13.3 19.5 -1 5 24 17.3 12.2 -1 5 24 -0.2 9.3 -1 -5 -24 50.69 31.2 -1 -5 -24 -19.2 29.3 -1 -5 -24 -13.8 19.5 -1 -5 24 -1.3 9 1 5 24 -14.8 17.1 -1 5 -24 10.2 12.8 1 5 24 19 13.8 -1 5 -24 50.39 35.9 1 5 24 -3.5 12.4 -2 5 24 13.5 6.3 2 -5 24 30.7 16.9 -2 -5 -24 29.2 30.2 2 5 -24 -11.8 34.6 -2 -5 -24 35.4 22.9 -2 5 -24 33 32.5 2 -5 -24 -9.1 25.9 -2 -5 24 -10.1 12.7 2 -5 -24 14.6 15.6 2 5 24 15.2 15.6 -2 -5 24 25.9 16.8 2 5 24 -9.4 23.8 -2 5 -24 3.1 14.3 0 6 24 -11.4 10.4 0 6 24 3 16.3 0 6 -24 49.8 20 0 -6 24 8.7 12 0 -6 -24 -6.7 16 0 -6 -24 -37.5 36 -1 6 24 34 14.6 1 6 -24 1.3 18.1 -1 -6 -24 73.39 26.8 -1 6 24 18.5 7.8 1 6 -24 35.2 23 -1 -6 -24 0.4 12 -1 6 -24 -16.7 16.4 -1 6 -24 25.8 39.7 1 6 24 5.2 16.8 1 -6 -24 -14.2 16.4 1 6 24 8.2 12.1 -2 -6 -24 -8.2 28.3 -2 6 -24 -47.7 31.2 0 -7 24 65.09 23.5 0 7 -24 22.3 20.1 0 7 24 11.5 11.5 0 -7 -24 -46.8 42.8 0 -7 -24 -13.1 20.3 0 -7 24 13.9 9.9 0 7 24 33.6 13.8 0 7 -24 42.2 19.4 -1 -7 -24 33.3 15.7 -1 7 24 17.3 10.2 1 7 -24 19.7 29 1 -7 24 43.9 21.1 -1 -7 -24 53.09 35.5 -1 7 24 11.7 12.9 -1 7 -24 57.69 15.1 1 7 24 6.3 13.3 -1 -7 24 14.4 16.5 -1 -7 24 -1.8 19.9 1 7 24 33.6 15.9 0 -8 -24 58.39 36.1 0 -8 24 -30.5 28.1 0 8 24 29.1 15.1 0 8 -24 -16.9 24.5 0 -8 24 30.1 15.8 0 -8 -24 -22.1 18.5 0 8 -24 -2.3 24.4 -1 8 24 -13.1 12.3 1 8 -24 2.2 22.9 1 -8 24 25.9 21.1 -1 -8 -24 33.6 27.8 1 8 -24 1.2 26.8 1 -8 24 -24 18.2 -1 8 -24 -5.7 18.7 -1 8 -24 5.8 46.8 1 -8 -24 -32.5 19.8 1 8 24 7.8 13.9 -1 -8 24 -48.5 23.6 -1 8 -24 -21.8 21.3 -1 -8 24 -8.5 14.5 0 9 24 36.2 10.7 0 9 -24 -19.5 26.2 0 9 24 19.5 11.2 0 -9 -24 96.79 38.8 0 -9 24 31.1 13.2 1 9 -24 -14.5 21.6 -1 9 24 12.6 8 -1 -9 -24 -22.7 16.6 1 9 -24 26.5 35.1 1 -9 24 8.9 22.9 1 -9 24 36.7 26.6 -1 -9 -24 -33.4 37.6 -1 -9 24 -15.5 14.4 -1 9 -24 -31.3 23.1 -1 9 -24 13.8 45.6 1 -9 -24 -11.5 25.2 1 9 24 4.9 12.4 -1 9 -24 -0.6 23.2 1 9 24 33.4 16.2 0 -10 -24 -14.5 17.2 0 10 24 33.2 12.7 0 10 -24 -21.9 17.6 0 -10 24 8.9 16.4 0 -10 -24 35.3 41.5 0 10 -24 7.6 12.9 0 0 -25 -17.8 40.4 0 0 25 24.2 13.7 0 0 25 4.7 9.9 0 0 -25 -10.5 12.6 -1 0 -25 13.6 12.7 -1 0 -25 0 28.2 1 0 25 6.4 15.5 1 0 25 21.4 18.2 -1 0 -25 3.2 26.3 -1 0 25 3.9 11.5 1 0 -25 13.7 16.3 -1 0 25 15.6 7.4 2 0 -25 -17.7 22.6 -2 0 -25 24 25 2 0 -25 -73.29 37.3 -2 0 -25 -13 16.1 -2 0 25 15.5 9.9 2 0 25 -23.7 17.1 2 0 25 -62.59 30.8 -2 0 25 -1.4 10.3 -2 0 -25 -45.2 32.5 0 -1 -25 60.69 38.5 0 -1 25 26.7 12.3 -1 -1 -25 4.4 29.6 1 1 -25 -13 21.1 1 -1 25 28.6 12.4 -1 -1 -25 1.7 11.2 -1 1 25 4.5 9.8 -1 1 25 3.8 8.1 1 -1 25 -33.8 19.4 1 1 -25 -16 20.8 1 -1 -25 -14.4 16.1 -1 1 -25 -46.5 38 1 1 25 31.8 33.5 -1 -1 25 8.3 9.8 -1 1 -25 -10.5 17.6 1 1 25 10.3 19.9 1 -1 -25 33.6 14.9 -1 -1 25 -16.6 11.8 1 1 25 -0.9 12.9 -2 1 25 8.2 11.7 -2 -1 -25 12.6 17.5 2 1 -25 18.2 13.3 -2 -1 -25 44.6 31.2 -2 -1 -25 17 22.2 2 -1 25 -48.3 28.1 -2 1 25 9.7 8.8 2 1 25 3.2 26.5 -2 1 -25 -19.1 18.8 -2 1 -25 -15.8 24.6 -2 -1 25 16.6 13.3 -2 1 -25 58.69 27.6 2 -1 -25 27 19.1 -2 -1 25 -13.4 13.9 2 1 25 23 13.8 0 -2 -25 9.9 14.7 0 -2 25 44.5 15.3 0 2 25 24.5 11.1 0 -2 25 12.5 10.3 0 -2 -25 1.5 25.8 0 2 -25 9.7 14 0 2 25 8.6 7.6 -1 2 25 3.5 9 1 -2 25 6.3 19.2 1 2 -25 22.5 17.8 -1 2 25 -5.1 8.9 -1 -2 25 16.3 7.2 1 -2 -25 -15.7 16.2 -1 -2 25 -9.3 12 -1 2 -25 1.7 41.8 1 2 25 9.5 21.7 1 -2 -25 -27.9 16.3 1 2 25 -22.7 17.2 -2 -2 -25 15.6 29.2 0 -3 -25 3.8 13.3 0 3 25 4.1 9.1 0 -3 25 -14 19.3 0 3 25 25 11.8 0 3 -25 148.69 58.29 0 -3 -25 11 35.5 1 -3 25 -12.3 14 -1 -3 -25 -3 13.2 1 -3 25 -33.5 25.4 -1 -3 -25 42.3 23.8 1 3 -25 33.7 15.7 1 3 -25 -29.4 24.5 -1 3 25 7.7 10.7 -1 3 25 16.2 6.8 -1 -3 -25 41.7 22.5 1 3 25 13.5 20.3 -1 3 -25 -10.6 47.5 -1 -3 25 -8.8 9.5 1 3 25 11.9 14 -1 -3 25 5.7 11.7 1 3 25 27.6 14.9 -1 3 -25 4 13.4 0 -4 25 57.49 26.1 0 4 25 15.9 15 0 4 -25 41.8 15.4 0 4 -25 34.6 19 0 4 25 28.9 20.3 0 -4 -25 11 22.3 0 -4 25 33.7 16.7 -1 -4 -25 37.4 19.1 -1 -4 -25 47.4 36.5 -1 -4 -25 45.1 23.9 1 -4 25 15.6 21.5 1 4 -25 66.59 18.6 1 4 25 8.4 22.6 -1 4 -25 3.4 17.2 -1 4 -25 7.3 42.3 0 -5 -25 17.6 9.7 0 -5 25 -1.4 12.3 0 -5 25 33.3 20.6 0 5 25 39.7 14.8 0 5 25 13.7 15.1 0 -5 -25 30.4 34.7 0 5 -25 10 13.5 -1 -5 -25 -15.7 16.6 -1 5 25 18.6 11.6 1 5 -25 -13.5 19.1 -1 5 25 13.5 12.8 1 -5 25 63.69 21.9 1 -5 25 -3.1 13.1 -1 -5 25 1.7 13.2 1 5 25 29.8 14.3 -1 5 -25 17 18 1 -5 -25 0.3 23.6 1 5 25 31.9 21.6 -1 5 -25 32.8 47.6 0 6 -25 -14.6 21.6 0 6 -25 -10 19.4 0 -6 25 -10.3 12.4 0 -6 25 66.49 29.5 0 -6 -25 -28.7 38.3 0 6 25 7.9 10.9 0 6 25 -21.5 16 1 6 -25 53.19 20.2 1 -6 25 27.6 10.7 1 -6 25 -2.2 22.8 -1 -6 -25 19 27.3 -1 6 25 -2 15.1 1 6 25 32.7 15 -1 6 -25 26.1 17.1 1 6 25 63.79 18.1 -1 6 -25 21.3 44.5 0 -7 25 140.79 52.19 0 7 25 107.59 23.9 0 7 25 95.49 20.8 0 -7 -25 47.9 65.99 0 7 -25 53.99 27.1 0 7 -25 132.99 37.2 1 7 -25 22.1 30.9 -1 -7 -25 -27.9 20.2 1 -7 25 13.6 13.9 1 -7 25 65.39 34.4 -1 -7 -25 7.6 29.1 1 7 -25 -10.6 17.1 -1 7 25 13.8 10.6 -1 7 25 25.8 12.5 -1 7 -25 5.5 17.3 -1 -7 25 -2.9 16.3 -1 7 -25 49.3 47.6 1 7 25 -9.7 12.9 0 8 -25 -34.7 20.4 0 8 -25 -6 21.6 0 8 25 -24.6 16 0 8 25 8.4 12.4 0 -8 -25 -67.29 39.5 0 -8 25 32.5 15.4 0 -8 -25 -6.3 20.8 0 0 26 35.4 14.1 0 0 -26 107.09 37.7 0 0 -26 -0.5 19.4 -1 0 26 -6.9 11.9 1 0 26 -15 13.3 -1 0 -26 40.1 29.6 1 0 26 47.1 21.4 -1 0 -26 3.4 33.8 1 0 -26 -1.5 19.8 -1 0 26 0.9 10.7 0 -1 26 -4.5 18.1 0 1 -26 22.6 16.1 0 -1 26 11.4 11.2 0 -1 -26 99.39 41.3 -1 -1 -26 -12.3 20.1 -1 1 26 20.3 15.9 1 1 -26 42.5 23.6 1 1 -26 28.5 19.7 -1 1 26 7.8 8.4 1 -1 26 26.2 23 -1 -1 26 29.8 12.2 -1 -1 26 24.1 18.7 1 -1 -26 -14.1 19.8 1 1 26 75.69 28.2 -1 1 -26 53.59 34.7 1 1 26 1 17.4 -1 1 -26 26.7 19.1 1 -1 -26 14.5 28.5 0 2 26 -12.1 15.7 0 2 26 7.7 10.9 0 -2 -26 7.9 14.3 0 -2 -26 40.7 30.2 0 -2 26 17.5 12.2 0 2 -26 4.6 19.4 -1 2 26 16.2 10.3 -1 -2 -26 -41.5 30.9 -1 -2 -26 49 27.1 -1 -2 -26 9.7 14.7 -1 2 26 18.6 8.8 1 2 -26 -5.4 17.9 1 -2 -26 6.8 21.7 1 2 26 36.5 17.2 1 2 26 7.1 8.3 0 -3 26 30.4 18.3 0 -3 26 6.3 15.4 0 -3 -26 13.1 20.1 0 -3 -26 44.4 46.4 0 3 26 28.7 16 0 3 -26 13.5 27.6 0 3 26 24.5 12 1 -3 26 -16.3 18.8 -1 -3 -26 -7.9 21.5 1 3 -26 -9.4 24.2 1 -3 26 -11 25.3 -1 3 26 -0.1 9.8 -1 -3 -26 81.09 42.1 -1 -3 26 3.2 12.8 -1 3 -26 -2.3 17.7 1 3 26 0.3 22.2 0 4 -26 -6.3 20.6 0 4 26 -0.7 11.1 0 -4 -26 -4.7 17.4 -1 -4 -26 40 29 1 -4 26 -42.1 26.7 1 -4 26 -23.2 17.5 1 4 -26 -34 23.7 -1 4 26 11.2 11.9 1 -4 -26 -27.5 21.7 -1 -4 26 6.3 13.7 -1 4 -26 17 9 -1 4 -26 23.1 41 1 4 26 12.5 19.3 1 4 26 14.5 21.9 0 -5 26 36.8 26.7 0 5 26 32.5 14.8 0 5 -26 8.7 20.7 0 -5 -26 14.4 13.3 0 6 -26 -23.3 18.8 0 6 26 -2 14 0 -6 -26 -73.99 43.7 0 -6 -26 -35.3 18.8 0 -6 26 -33.9 27.9 0 6 -26 -14.9 18 0 -6 26 -15.5 14.9 0 0 27 -7.6 12.6 0 0 27 -24.5 16.8 0 1 27 -10.1 13.8 0 1 -27 -11.5 20.2 0 -1 27 -7.7 13.2 0 -1 -27 19.7 12.4 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 C17 N3 C16 132.0(5) . . ? H3 N3 C16 114.0(3) . . ? H3 N3 C17 114.0(3) . . ? C15 N1 N2 115.0(4) . . ? C16 N2 N1 121.1(4) . . ? H2 N2 N1 119.5(3) . . ? H2 N2 C16 119.5(3) . . ? C8 C13 C14 119.8(5) . . ? C12 C13 C14 124.0(5) . . ? C12 C13 C8 116.2(5) . . ? C15 C14 C13 117.1(5) . . ? C1 C14 C13 119.2(5) . . ? C1 C14 C15 123.6(5) . . ? C14 C15 N1 126.8(5) . . ? H15 C15 N1 116.6(3) . . ? H15 C15 C14 116.6(3) . . ? C7 C6 C1 120.0(5) . . ? C5 C6 C1 118.5(6) . . ? C5 C6 C7 121.4(5) . . ? C6 C1 C14 119.1(5) . . ? C2 C1 C14 123.6(5) . . ? C2 C1 C6 117.4(5) . . ? N3 C16 S1 127.9(5) . . ? N2 C16 S1 119.0(4) . . ? N2 C16 N3 113.1(5) . . ? C19 C18 C17 120.8(5) . . ? H18 C18 C17 119.6(3) . . ? H18 C18 C19 119.6(3) . . ? C18 C17 N3 116.2(5) . . ? C22 C17 N3 125.0(5) . . ? C22 C17 C18 118.8(5) . . ? C7 C8 C13 119.1(6) . . ? C9 C8 C13 120.0(5) . . ? C9 C8 C7 120.9(5) . . ? C8 C7 C6 122.8(5) . . ? H7 C7 C6 118.6(3) . . ? H7 C7 C8 118.6(3) . . ? C11 C12 C13 121.8(5) . . ? H12 C12 C13 119.1(3) . . ? H12 C12 C11 119.1(3) . . ? C19 C20 Cl2 120.8(5) . . ? C21 C20 Cl2 119.4(5) . . ? C21 C20 C19 119.8(5) . . ? C21 C22 C17 120.4(6) . . ? H22 C22 C17 119.8(3) . . ? H22 C22 C21 119.8(3) . . ? C4 C5 C6 121.7(6) . . ? H5 C5 C6 119.1(4) . . ? H5 C5 C4 119.1(4) . . ? C10 C11 C12 121.2(6) . . ? H11 C11 C12 119.4(3) . . ? H11 C11 C10 119.4(4) . . ? C3 C2 C1 122.1(6) . . ? H2a C2 C1 119.0(3) . . ? H2a C2 C3 119.0(4) . . ? C18 C19 Cl1 119.1(5) . . ? C20 C19 Cl1 121.3(5) . . ? C20 C19 C18 119.6(5) . . ? C22 C21 C20 120.6(6) . . ? H21 C21 C20 119.7(4) . . ? H21 C21 C22 119.7(3) . . ? C3 C4 C5 120.4(6) . . ? H4 C4 C5 119.8(4) . . ? H4 C4 C3 119.8(4) . . ? C10 C9 C8 121.4(6) . . ? H9 C9 C8 119.3(3) . . ? H9 C9 C10 119.3(4) . . ? C4 C3 C2 119.8(6) . . ? H3a C3 C2 120.1(4) . . ? H3a C3 C4 120.1(4) . . ? C9 C10 C11 119.3(6) . . ? H10 C10 C11 120.3(4) . . ? H10 C10 C9 120.3(4) . . ? 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 C16 1.668(5) . ? Cl2 C20 1.742(6) . ? Cl1 C19 1.722(6) . ? N3 C16 1.351(6) . ? N3 C17 1.412(7) . ? N3 H3 0.8600 . ? N1 N2 1.385(5) . ? N1 C15 1.283(6) . ? N2 C16 1.340(6) . ? N2 H2 0.8600 . ? C13 C14 1.426(7) . ? C13 C8 1.431(7) . ? C13 C12 1.422(7) . ? C14 C15 1.453(7) . ? C14 C1 1.438(7) . ? C15 H15 0.9300 . ? C6 C1 1.425(7) . ? C6 C7 1.376(7) . ? C6 C5 1.438(7) . ? C1 C2 1.426(7) . ? C18 C17 1.380(7) . ? C18 C19 1.387(8) . ? C18 H18 0.9300 . ? C17 C22 1.385(7) . ? C8 C7 1.385(7) . ? C8 C9 1.423(8) . ? C7 H7 0.9300 . ? C12 C11 1.352(7) . ? C12 H12 0.9300 . ? C20 C19 1.381(8) . ? C20 C21 1.368(8) . ? C22 C21 1.377(8) . ? C22 H22 0.9300 . ? C5 C4 1.337(8) . ? C5 H5 0.9300 . ? C11 C10 1.416(8) . ? C11 H11 0.9300 . ? C2 C3 1.364(7) . ? C2 H2a 0.9300 . ? C21 H21 0.9300 . ? C4 C3 1.412(8) . ? C4 H4 0.9300 . ? C9 C10 1.336(8) . ? C9 H9 0.9300 . ? C3 H3a 0.9300 . ? C10 H10 0.9300 . ? 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 S1 C16 N3 C17 0.2(7) . . . . ? S1 C16 N2 N1 177.4(4) . . . . ? Cl2 C20 C19 Cl1 -3.7(5) . . . . ? Cl2 C20 C19 C18 176.9(5) . . . . ? Cl2 C20 C21 C22 -177.7(5) . . . . ? Cl1 C19 C18 C17 -178.3(4) . . . . ? Cl1 C19 C20 C21 177.9(5) . . . . ? N3 C16 N2 N1 -2.5(6) . . . . ? N3 C17 C18 C19 -177.0(5) . . . . ? N3 C17 C22 C21 176.0(6) . . . . ? N1 C15 C14 C13 -173.5(5) . . . . ? N1 C15 C14 C1 3.7(6) . . . . ? C13 C14 C1 C6 1.9(6) . . . . ? C13 C14 C1 C2 -177.4(5) . . . . ? C13 C8 C7 C6 0.3(6) . . . . ? C13 C8 C9 C10 1.0(6) . . . . ? C13 C12 C11 C10 -0.2(7) . . . . ? C14 C1 C6 C7 0.1(6) . . . . ? C14 C1 C6 C5 179.7(5) . . . . ? C14 C1 C2 C3 -179.7(6) . . . . ? C6 C1 C2 C3 0.9(6) . . . . ? C6 C7 C8 C9 -177.7(6) . . . . ? C6 C5 C4 C3 0.0(7) . . . . ? C1 C2 C3 C4 -0.5(7) . . . . ? C18 C17 C22 C21 -0.9(6) . . . . ? C18 C19 C20 C21 -1.5(7) . . . . ? C17 C22 C21 C20 0.5(7) . . . . ? C8 C9 C10 C11 -0.3(7) . . . . ? C12 C11 C10 C9 -0.1(7) . . . . ? C5 C4 C3 C2 -0.0(8) . . . . ?