#------------------------------------------------------------------------------ #$Date: 2021-11-04 03:45:49 +0200 (Thu, 04 Nov 2021) $ #$Revision: 270294 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/51/1565119.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_1565119 loop_ _publ_author_name 'Hu, Chen' 'Wang, Meiyi' 'Han, Xiao' 'Fan, Jingyi' 'Wei, Donghui' 'Ding, Jie' 'Ma, Zhiwei' 'Xiao, Guanjun' 'Zou, Bo' 'Hou, Hongwei' _publ_section_title ; Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals ; _journal_issue 40 _journal_name_full 'The Journal of Physical Chemistry C' _journal_page_first 22346 _journal_page_last 22353 _journal_paper_doi 10.1021/acs.jpcc.1c07151 _journal_volume 125 _journal_year 2021 _chemical_formula_moiety 'C16 H14 N6 S, 2(Cl)' _chemical_formula_sum 'C16 H14 Cl2 N6 S' _chemical_formula_weight 393.29 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2021-08-01 _audit_creation_method ; Olex2 1.2-beta (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _cell_angle_alpha 90 _cell_angle_beta 107.1870(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.5351(3) _cell_length_b 14.6310(4) _cell_length_c 11.9513(3) _cell_measurement_reflns_used 9871 _cell_measurement_temperature 273(2) _cell_measurement_theta_max 27.43 _cell_measurement_theta_min 2.26 _cell_volume 1759.90(8) _computing_cell_refinement 'SAINT v8.37A (Bruker, 2015)' _computing_data_reduction 'SAINT v8.37A (Bruker, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 273.15 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _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 0.0373 _diffrn_reflns_av_unetI/netI 0.0163 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 44279 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.500 _diffrn_reflns_theta_min 3.307 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.500 _exptl_absorpt_correction_T_max 0.7456 _exptl_absorpt_correction_T_min 0.7226 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0621 before and 0.0513 after correction. The Ratio of minimum to maximum transmission is 0.9692. The \l/2 correction factor is Not present. ; _exptl_crystal_colour brown _exptl_crystal_colour_primary brown _exptl_crystal_density_diffrn 1.484 _exptl_crystal_description block _exptl_crystal_F_000 808 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.18 _refine_diff_density_max 0.725 _refine_diff_density_min -0.528 _refine_diff_density_rms 0.049 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 226 _refine_ls_number_reflns 4039 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.0537 _refine_ls_R_factor_gt 0.0439 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+1.1074P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1094 _refine_ls_wR_factor_ref 0.1155 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3400 _reflns_number_total 4039 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jp1c07151_si_003.cif _cod_data_source_block mo_200824e_0m _cod_database_code 1565119 _shelx_shelxl_version_number 2016/6 _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. ; _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: C1(H1), C2(H2), N3(H3), C3(H3A), C4(H4), N4(H4A), N5(H5), N6(H6), C8(H8), C9(H9), C13(H13), C14(H14), C15(H15), C16(H16) ; _shelx_res_file ; TITL mo_200824e_0m_a.res in P2(1)/c mo_200824e_0m.res created by SHELXL-2016/6 at 13:49:10 on 01-Aug-2021 REM Old TITL mo_200824e_0m in P2(1)/c REM SHELXT solution in P2(1)/c REM R1 0.190, Rweak 0.020, Alpha 0.029, Orientation as input REM Formula found by SHELXT: C16 Cl2 N6 S CELL 0.71073 10.5351 14.631 11.9513 90 107.187 90 ZERR 4 0.0003 0.0004 0.0003 0 0.001 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Cl N S UNIT 64 56 8 24 4 L.S. 10 PLAN 20 TEMP 0 BOND $H htab list 4 fmap 2 acta OMIT 0 2 0 OMIT -1 1 1 REM REM REM WGHT 0.046200 1.107400 FVAR 0.71416 C1 1 0.871653 0.420300 0.678091 11.00000 0.04229 0.04870 = 0.04886 0.00227 0.00737 0.00248 AFIX 43 H1 2 0.882697 0.458251 0.742695 11.00000 -1.20000 AFIX 0 S1 5 0.342228 0.452618 0.534226 11.00000 0.05599 0.07841 = 0.08962 0.04427 0.03894 0.02757 N1 4 0.463685 0.391124 0.520807 11.00000 0.04501 0.06611 = 0.05451 0.01939 0.02231 0.01083 C2 1 0.956749 0.426148 0.613316 11.00000 0.04333 0.05647 = 0.07532 0.00282 0.02127 0.00052 AFIX 43 H2 2 1.029020 0.465708 0.634515 11.00000 -1.20000 AFIX 0 N2 4 0.278949 0.386391 0.611472 11.00000 0.04163 0.06551 = 0.06353 0.01717 0.02402 0.01021 N3 4 0.649239 0.241583 0.535589 11.00000 0.04768 0.05315 = 0.05525 -0.01541 0.02513 -0.00178 AFIX 43 H3 2 0.646310 0.200565 0.483344 11.00000 -1.20000 AFIX 0 C3 1 0.933520 0.371134 0.513314 11.00000 0.05388 0.05827 = 0.07584 0.00312 0.03640 0.00656 AFIX 43 H3A 2 0.989863 0.375327 0.466528 11.00000 -1.20000 AFIX 0 C4 1 0.829833 0.311773 0.483796 11.00000 0.05201 0.05650 = 0.05960 -0.00467 0.02996 0.00725 AFIX 43 H4 2 0.813593 0.277030 0.415854 11.00000 -1.20000 AFIX 0 N4 4 0.238156 0.232740 0.755524 11.00000 0.05747 0.04766 = 0.05963 -0.00912 0.03131 -0.01705 AFIX 43 H4A 2 0.185059 0.186701 0.740308 11.00000 -1.20000 AFIX 0 C5 1 0.746910 0.303098 0.556731 11.00000 0.03994 0.04376 = 0.04750 0.00117 0.01486 0.00802 N5 4 0.769716 0.359161 0.649418 11.00000 0.03912 0.04680 = 0.04070 0.00162 0.01385 0.00444 AFIX 43 H5 2 0.717537 0.356343 0.692706 11.00000 -1.20000 AFIX 0 C6 1 0.460858 0.313982 0.580436 11.00000 0.03642 0.04915 = 0.03624 0.00087 0.01135 -0.00039 N6 4 0.106617 0.289978 0.861710 11.00000 0.04915 0.05140 = 0.05073 0.00435 0.01993 -0.00852 AFIX 43 H6 2 0.052917 0.245493 0.834795 11.00000 -1.20000 AFIX 0 C7 1 0.549833 0.239566 0.593898 11.00000 0.04283 0.04597 = 0.04413 -0.00986 0.01659 -0.00268 C8 1 0.532662 0.166965 0.659085 11.00000 0.06247 0.04018 = 0.06470 -0.00586 0.02724 0.00443 AFIX 43 H8 2 0.589897 0.117269 0.668450 11.00000 -1.20000 AFIX 0 C9 1 0.429021 0.165263 0.713370 11.00000 0.07394 0.03786 = 0.06303 -0.00147 0.03294 -0.00455 AFIX 43 H9 2 0.420503 0.114386 0.757243 11.00000 -1.20000 AFIX 0 C10 1 0.342537 0.235568 0.702955 11.00000 0.04800 0.04400 = 0.04550 -0.00735 0.02054 -0.01135 C11 1 0.355628 0.311557 0.633649 11.00000 0.03639 0.04828 = 0.03961 -0.00156 0.01202 -0.00162 C12 1 0.217266 0.297758 0.827739 11.00000 0.04630 0.04220 = 0.03831 0.00441 0.01694 -0.00431 C13 1 0.303241 0.369828 0.871463 11.00000 0.04712 0.05187 = 0.04465 -0.00358 0.01827 -0.01021 AFIX 43 H13 2 0.381170 0.376118 0.850664 11.00000 -1.20000 AFIX 0 C14 1 0.272532 0.431353 0.945176 11.00000 0.06875 0.05530 = 0.05146 -0.00920 0.01839 -0.01369 AFIX 43 H14 2 0.328919 0.480532 0.973115 11.00000 -1.20000 AFIX 0 C15 1 0.157306 0.421336 0.979199 11.00000 0.07759 0.06371 = 0.05345 -0.00390 0.03023 0.00918 AFIX 43 H15 2 0.136669 0.463081 1.029873 11.00000 -1.20000 AFIX 0 C16 1 0.077024 0.350108 0.937117 11.00000 0.05550 0.06530 = 0.05568 0.00588 0.02918 0.00519 AFIX 43 H16 2 0.000573 0.341830 0.959719 11.00000 -1.20000 AFIX 0 CL2 3 -0.035580 0.129358 0.710414 11.00000 0.06630 0.05681 = 0.06950 0.00180 0.01912 -0.01767 CL1 3 0.633768 0.402788 0.836118 11.00000 0.08536 0.05202 = 0.04293 -0.00726 0.02598 -0.01370 HKLF 4 REM mo_200824e_0m_a.res in P2(1)/c REM R1 = 0.0439 for 3400 Fo > 4sig(Fo) and 0.0537 for all 4039 data REM 226 parameters refined using 0 restraints END WGHT 0.0462 1.1067 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, y+1/2, -z+3/2 HTAB C1 Cl2_$1 EQIV $2 x, -y+1/2, z-1/2 HTAB N3 Cl1_$2 HTAB N4 Cl2 HTAB N5 Cl1 HTAB N6 Cl2 HTAB C13 Cl1 REM Highest difference peak 0.725, deepest hole -0.528, 1-sigma level 0.049 Q1 1 0.5583 0.4053 0.8473 11.00000 0.05 0.72 Q2 1 0.0374 0.1174 0.7619 11.00000 0.05 0.32 Q3 1 -0.0939 0.1182 0.7249 11.00000 0.05 0.25 Q4 1 0.2874 0.4104 0.5302 11.00000 0.05 0.22 Q5 1 -0.0393 0.1117 0.6529 11.00000 0.05 0.22 Q6 1 0.4086 0.3048 0.5982 11.00000 0.05 0.21 Q7 1 0.3636 0.4224 0.4794 11.00000 0.05 0.21 Q8 1 0.5106 0.1966 0.5984 11.00000 0.05 0.20 Q9 1 0.3624 0.1937 0.6713 11.00000 0.05 0.20 Q10 1 0.6618 0.3519 0.8338 11.00000 0.05 0.19 Q11 1 0.4559 0.1657 0.6634 11.00000 0.05 0.19 Q12 1 0.7948 0.3077 0.5286 11.00000 0.05 0.18 Q13 1 0.5040 0.2779 0.5728 11.00000 0.05 0.18 Q14 1 0.2882 0.2374 0.7240 11.00000 0.05 0.18 Q15 1 0.6100 0.2456 0.5813 11.00000 0.05 0.16 Q16 1 0.3291 0.2648 0.6551 11.00000 0.05 0.16 Q17 1 0.6418 0.0939 0.6978 11.00000 0.05 0.16 Q18 1 0.3580 0.2779 0.6857 11.00000 0.05 0.16 Q19 1 0.1435 0.1976 0.6969 11.00000 0.05 0.16 Q20 1 0.4526 0.3428 0.5380 11.00000 0.05 0.15 ; _shelx_res_checksum 46698 _shelx_hkl_file ; 2 0 0 144.99 4.80 -2 0 0 144.39 4.80 -2 0 0 135.69 5.30 2 0 0 142.79 4.70 3 0 0 5437.16 73.29 4 0 0 47.30 3.80 -4 0 0 46.50 3.90 -4 0 0 42.00 3.60 4 0 0 44.80 4.50 -4 0 0 48.10 4.60 -4 0 0 50.49 3.90 -5 0 0 40.90 4.10 -5 0 0 41.50 3.90 5 0 0 45.20 4.30 5 0 0 45.80 4.30 -5 0 0 38.60 3.90 -5 0 0 41.40 4.20 6 0 0 148.79 8.20 -6 0 0 169.98 8.80 6 0 0 164.78 8.80 -6 0 0 169.28 8.80 -6 0 0 165.28 8.70 -6 0 0 175.48 8.70 -7 0 0 722.93 27.60 7 0 0 740.43 23.90 -7 0 0 741.53 20.90 -7 0 0 774.02 21.20 7 0 0 777.02 21.40 -7 0 0 767.52 20.80 -8 0 0 19.30 4.70 8 0 0 17.90 4.40 8 0 0 11.70 3.70 -8 0 0 14.10 3.60 -8 0 0 17.70 4.20 -8 0 0 21.20 4.80 -9 0 0 168.08 10.70 -9 0 0 150.38 10.30 -9 0 0 174.78 10.70 9 0 0 147.59 10.00 9 0 0 170.48 10.90 -9 0 0 148.29 10.30 -10 0 0 826.52 26.40 -10 0 0 822.82 25.80 10 0 0 862.01 27.00 11 0 0 32.70 6.80 -11 0 0 33.30 7.10 11 0 0 36.80 6.90 -11 0 0 31.00 6.40 -11 0 0 29.40 6.20 -11 0 0 37.50 6.90 12 0 0 26.70 6.40 -12 0 0 27.70 6.60 13 0 0 15.40 5.80 13 0 0 6.80 4.90 -13 0 0 23.60 5.40 -13 0 0 10.80 5.10 -2 -1 0 356.46 8.50 -2 -1 0 363.86 8.30 2 -1 0 357.66 8.30 2 -1 0 362.46 8.30 -2 -1 0 368.16 8.30 -2 1 0 355.26 8.20 -2 1 0 359.66 8.20 -2 1 0 358.26 8.20 2 1 0 352.46 8.20 2 1 0 355.96 8.60 3 -1 0 640.94 13.80 -3 -1 0 620.74 13.40 3 -1 0 604.14 13.30 -3 -1 0 596.94 13.20 -3 -1 0 612.34 13.70 3 -1 0 625.04 13.40 -3 1 0 612.44 13.40 3 1 0 597.94 13.20 -3 1 0 608.64 13.20 -3 1 0 648.24 13.60 3 1 0 621.04 13.30 3 1 0 633.14 14.10 4 -1 0 2.00 1.30 -4 -1 0 1.90 1.40 -4 -1 0 0.60 1.20 4 1 0 2.40 1.20 -4 1 0 3.90 1.60 4 1 0 1.70 1.30 -4 1 0 1.70 1.10 -4 1 0 2.60 1.50 -5 -1 0 51.79 4.60 -5 -1 0 47.20 4.40 5 -1 0 48.50 4.40 -5 -1 0 53.09 4.60 5 -1 0 58.39 4.70 -5 -1 0 52.59 4.50 5 1 0 53.39 4.70 -5 1 0 48.90 4.60 5 1 0 49.50 4.50 5 1 0 48.30 4.50 -5 1 0 50.49 4.50 -5 1 0 54.89 4.50 -5 1 0 53.69 4.60 -6 -1 0 977.70 23.10 -6 -1 0 992.10 23.00 -6 -1 0 968.60 22.60 6 -1 0 937.91 22.60 6 -1 0 959.90 23.00 -6 -1 0 1024.50 23.70 -6 1 0 977.90 23.00 -6 1 0 931.11 22.30 -6 1 0 995.70 23.30 6 1 0 979.00 23.00 6 1 0 957.70 22.80 -6 1 0 940.81 22.80 -7 -1 0 69.79 6.70 -7 -1 0 71.59 6.50 7 -1 0 79.89 7.00 -7 -1 0 73.39 6.40 -7 1 0 67.59 6.40 -7 1 0 71.49 6.40 7 1 0 81.49 7.00 -7 1 0 80.49 6.60 8 -1 0 240.58 12.00 -8 -1 0 224.98 11.80 -8 -1 0 231.48 11.60 -8 -1 0 237.18 12.00 -8 -1 0 246.48 12.10 8 -1 0 233.78 12.10 8 1 0 259.27 12.40 -8 1 0 217.28 11.50 -8 1 0 233.78 12.00 -8 1 0 224.78 11.60 8 1 0 228.48 11.70 -8 1 0 230.38 11.90 -9 -1 0 170.88 10.70 9 -1 0 162.08 10.90 9 -1 0 148.99 10.10 -9 -1 0 141.59 10.10 -9 -1 0 155.98 10.20 -9 -1 0 156.38 10.70 -9 1 0 141.79 10.40 -9 1 0 153.88 10.30 9 1 0 144.19 10.00 -9 1 0 164.48 10.60 9 1 0 167.48 11.00 -9 1 0 132.09 9.70 10 -1 0 -2.00 2.50 -10 -1 0 0.90 3.00 -10 -1 0 1.00 2.10 -10 -1 0 11.40 4.00 -10 1 0 1.60 2.30 10 1 0 4.10 3.30 -10 1 0 5.00 4.00 11 -1 0 -1.10 3.00 -11 -1 0 5.60 4.70 -11 -1 0 -0.60 2.90 11 -1 0 6.90 4.10 -11 -1 0 5.60 3.70 -11 -1 0 2.80 2.70 -11 1 0 2.00 2.80 11 1 0 6.50 4.20 -11 1 0 1.80 3.20 -11 1 0 -0.60 3.50 11 1 0 0.10 3.60 -11 1 0 2.20 3.50 12 -1 0 1.70 3.50 -12 -1 0 5.10 4.20 -12 -1 0 -1.60 3.20 12 -1 0 3.70 2.60 -12 1 0 1.90 3.20 -12 1 0 -1.30 3.30 12 1 0 -3.60 3.60 13 -1 0 0.30 4.10 13 -1 0 5.00 4.60 -13 -1 0 -4.30 3.30 -13 -1 0 4.10 3.90 -13 1 0 -1.90 3.30 13 1 0 -4.10 4.50 13 1 0 4.90 3.70 -13 1 0 5.60 4.40 0 -2 0 0.00 0.30 0 2 0 -0.20 0.30 0 2 0 0.20 0.40 1 -2 0 396.46 8.00 -1 -2 0 401.06 7.40 1 -2 0 387.06 7.90 1 -2 0 404.36 8.20 -1 -2 0 396.06 9.10 -1 -2 0 395.06 8.00 -1 -2 0 393.86 8.20 1 -2 0 402.76 8.00 -1 2 0 390.26 7.90 -1 2 0 381.76 8.00 1 2 0 403.96 7.30 1 2 0 386.56 8.10 1 2 0 401.86 9.00 -1 2 0 402.66 8.10 -1 2 0 374.76 8.00 -2 -2 0 39.20 3.10 2 -2 0 36.80 2.60 -2 -2 0 41.40 2.80 2 -2 0 34.70 2.80 -2 -2 0 38.40 3.20 2 -2 0 38.60 2.70 2 2 0 30.20 2.70 -2 2 0 36.50 2.70 2 2 0 33.30 2.80 2 2 0 35.90 2.70 2 2 0 39.80 2.30 -2 2 0 34.70 2.60 -2 2 0 34.50 2.70 3 -2 0 1300.47 22.70 -3 -2 0 1278.97 23.30 3 -2 0 1251.27 22.30 3 -2 0 1256.97 22.00 -3 -2 0 1238.08 22.10 -3 -2 0 1257.27 22.30 3 2 0 1274.57 23.40 -3 2 0 1199.58 22.00 3 2 0 1236.68 20.30 -3 2 0 1254.17 22.20 3 2 0 1292.87 22.40 3 2 0 1261.27 22.30 -3 2 0 1216.08 22.00 4 -2 0 524.65 13.60 -4 -2 0 546.35 14.40 -4 -2 0 522.05 13.50 -4 -2 0 492.55 13.30 4 -2 0 517.65 13.30 4 2 0 536.85 14.50 4 2 0 505.45 13.30 -4 2 0 517.55 13.40 -4 2 0 519.65 13.50 -4 2 0 507.15 13.40 4 2 0 507.45 13.40 -5 -2 0 44.10 5.30 -5 -2 0 45.20 4.50 5 -2 0 39.30 4.10 -5 -2 0 43.30 4.40 5 -2 0 43.20 4.30 5 -2 0 37.90 4.10 -5 2 0 36.80 4.10 5 2 0 42.50 4.40 -5 2 0 43.00 4.20 5 2 0 45.50 4.40 5 2 0 50.39 4.60 -5 2 0 48.70 4.60 -6 -2 0 324.07 12.40 -6 -2 0 342.37 13.00 6 -2 0 326.37 12.60 -6 -2 0 336.37 12.50 -6 -2 0 312.07 11.90 6 -2 0 325.97 12.20 6 2 0 333.67 13.20 -6 2 0 323.27 12.10 -6 2 0 313.07 12.10 -6 2 0 348.87 12.80 6 2 0 343.47 12.60 -6 2 0 346.27 12.80 6 2 0 323.77 12.40 7 -2 0 44.90 6.10 7 -2 0 33.70 5.20 -7 -2 0 41.70 6.10 -7 -2 0 36.30 5.10 -7 -2 0 46.80 5.70 -7 -2 0 29.60 5.10 7 2 0 40.00 5.30 -7 2 0 43.20 5.10 7 2 0 42.10 6.10 7 2 0 46.80 7.60 -7 2 0 39.10 7.10 -7 2 0 46.80 6.40 -8 -2 0 6.40 3.40 8 -2 0 4.80 3.10 -8 -2 0 2.80 2.60 -8 -2 0 8.10 3.10 -8 -2 0 3.60 2.40 8 -2 0 2.10 2.80 -8 2 0 5.30 3.20 -8 2 0 6.60 3.30 -8 2 0 7.30 2.90 -8 2 0 4.20 2.50 8 2 0 3.60 2.70 8 2 0 9.80 3.80 -9 -2 0 76.69 7.80 -9 -2 0 70.49 7.40 -9 -2 0 69.19 8.80 9 -2 0 82.79 7.80 -9 2 0 68.29 7.30 9 2 0 91.99 11.90 -9 2 0 60.59 6.80 -9 2 0 79.19 7.90 9 2 0 81.19 7.70 -9 2 0 90.29 12.30 -10 -2 0 5.80 3.70 -10 -2 0 9.50 3.80 10 -2 0 4.20 3.70 -10 2 0 7.50 4.50 -10 2 0 6.50 3.00 10 2 0 8.20 4.00 -11 -2 0 5.80 4.40 -11 -2 0 18.30 5.40 -11 -2 0 12.30 4.70 11 -2 0 4.00 4.50 11 -2 0 13.80 4.80 -11 -2 0 6.90 3.50 -11 2 0 12.10 5.00 -11 2 0 13.20 3.90 -11 2 0 9.10 4.60 -11 2 0 12.20 5.20 11 2 0 23.20 5.60 11 2 0 11.60 5.40 12 -2 0 3.20 4.60 12 -2 0 1.20 3.60 -12 -2 0 0.10 3.60 -12 -2 0 -2.00 3.20 12 2 0 5.00 4.50 -12 2 0 3.60 4.10 12 2 0 -0.60 3.10 -12 2 0 0.30 3.10 -13 -2 0 10.20 5.60 13 2 0 10.80 5.10 -13 2 0 2.20 4.20 0 -3 0 -0.60 1.50 0 -3 0 0.60 0.60 0 -3 0 0.90 0.80 0 -3 0 2.10 1.30 0 -3 0 0.50 0.80 0 3 0 0.80 0.90 0 3 0 0.60 1.80 0 3 0 3.40 1.50 0 3 0 1.90 0.80 0 3 0 0.10 0.50 1 -3 0 0.30 1.00 1 -3 0 0.40 0.90 1 -3 0 1.10 1.20 1 -3 0 -0.30 0.60 -1 -3 0 1.60 1.00 -1 -3 0 3.00 1.80 -1 -3 0 0.50 0.90 -1 -3 0 0.90 0.70 -1 -3 0 0.90 1.40 1 3 0 0.70 0.80 -1 3 0 0.50 0.90 1 3 0 -0.60 1.30 -1 3 0 -0.30 1.00 1 3 0 1.80 1.50 -1 3 0 0.30 0.70 1 3 0 0.10 0.90 -1 3 0 3.10 1.50 -1 3 0 -0.20 1.80 2 -3 0 2059.19 31.70 2 -3 0 2087.79 31.90 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100.19 8.50 -9 3 0 94.09 8.10 9 3 0 94.69 7.20 10 -3 0 78.99 7.20 -10 -3 0 72.29 8.30 -10 -3 0 86.69 8.50 10 -3 0 81.59 8.50 -10 -3 0 83.79 8.30 10 -3 0 59.99 8.30 -10 3 0 77.59 8.20 -10 3 0 79.69 8.70 10 3 0 73.89 9.60 -10 3 0 72.39 14.50 -10 3 0 88.79 11.00 10 3 0 71.79 6.70 10 3 0 75.39 8.40 -11 -3 0 49.00 7.30 11 -3 0 45.30 7.60 -11 -3 0 41.90 7.70 -11 -3 0 39.50 7.40 -11 -3 0 58.19 10.70 11 -3 0 53.99 9.00 11 3 0 43.20 7.70 -11 3 0 58.09 7.30 11 3 0 43.40 7.00 -11 3 0 61.39 9.60 -11 3 0 56.89 8.80 -11 3 0 63.19 9.80 11 3 0 44.60 8.10 12 -3 0 3.20 3.90 -12 -3 0 2.80 4.40 -12 -3 0 12.10 5.00 12 -3 0 7.00 3.90 12 3 0 5.90 5.10 12 3 0 6.30 3.30 -12 3 0 6.70 4.10 -12 3 0 11.40 5.20 -1 -4 0 1146.89 22.60 -1 -4 0 1119.19 20.00 1 -4 0 1135.49 19.40 1 -4 0 1119.99 20.20 -1 -4 0 1133.79 18.70 -1 -4 0 1133.39 18.90 1 -4 0 1118.89 19.40 -1 -4 0 1120.79 19.80 1 4 0 1132.69 18.60 1 4 0 1145.59 19.80 1 4 0 1127.29 21.90 -1 4 0 1139.99 19.70 -1 4 0 1127.29 19.70 1 4 0 1113.99 19.90 -1 4 0 1153.68 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251.67 13.60 9 4 0 235.18 13.00 9 4 0 246.98 11.20 10 -4 0 4.00 2.30 10 -4 0 2.40 3.20 -10 -4 0 -1.00 2.90 -10 -4 0 1.10 2.90 -10 -4 0 -0.50 2.00 -10 4 0 3.70 4.50 -10 4 0 3.80 3.80 10 4 0 1.20 3.40 10 4 0 0.30 3.20 -10 4 0 4.30 2.90 10 4 0 0.20 2.60 -10 4 0 1.10 2.90 -11 -4 0 18.60 5.90 11 -4 0 11.60 8.60 -11 -4 0 17.70 5.00 -11 -4 0 19.60 9.50 11 -4 0 21.90 5.10 11 -4 0 18.80 6.10 -11 4 0 21.40 5.20 11 4 0 15.70 5.10 11 4 0 13.50 3.70 -11 4 0 16.00 5.50 12 -4 0 32.70 6.10 12 -4 0 37.10 8.30 -12 -4 0 39.30 8.10 -12 -4 0 34.80 7.70 12 4 0 44.90 8.50 12 4 0 41.70 6.80 -12 4 0 52.09 8.60 -12 4 0 33.60 7.80 0 -5 0 2.50 1.30 0 -5 0 2.20 1.10 0 -5 0 3.40 1.40 0 -5 0 2.10 2.20 0 -5 0 1.60 1.70 0 5 0 2.80 1.70 0 5 0 3.60 1.20 0 5 0 1.90 1.30 0 5 0 1.80 2.10 0 5 0 5.00 1.50 1 -5 0 1586.94 25.80 -1 -5 0 1572.14 25.20 1 -5 0 1530.55 26.20 -1 -5 0 1566.94 29.80 -1 -5 0 1619.84 27.10 -1 -5 0 1545.85 25.30 1 -5 0 1539.25 26.80 -1 -5 0 1533.95 26.20 1 5 0 1505.45 26.20 -1 5 0 1511.45 26.20 -1 5 0 1547.65 26.60 -1 5 0 1546.55 29.00 -1 5 0 1560.94 25.90 1 5 0 1504.65 26.40 -1 5 0 1524.65 26.10 1 5 0 1544.85 29.10 1 5 0 1558.44 25.10 2 -5 0 306.07 9.30 2 -5 0 299.07 9.20 -2 -5 0 303.77 10.90 2 -5 0 298.27 9.40 -2 -5 0 290.57 9.30 -2 -5 0 299.37 8.40 -2 -5 0 295.57 11.40 -2 -5 0 293.97 8.70 2 -5 0 288.77 9.70 2 5 0 303.27 9.50 -2 5 0 292.37 10.60 -2 5 0 297.77 10.80 2 5 0 290.27 8.10 2 5 0 299.77 9.60 -2 5 0 298.37 9.50 -2 5 0 295.47 9.20 2 5 0 283.67 10.70 -2 5 0 283.87 9.50 -3 -5 0 668.93 18.20 3 -5 0 653.33 15.80 -3 -5 0 637.14 15.80 -3 -5 0 649.24 16.20 3 -5 0 623.04 15.40 3 -5 0 631.34 15.80 -3 -5 0 651.43 14.20 3 -5 0 635.84 15.70 3 5 0 663.63 13.90 3 5 0 657.73 15.90 3 5 0 671.23 17.80 -3 5 0 665.13 15.70 -3 5 0 643.44 15.80 3 5 0 644.94 15.80 -3 5 0 654.73 15.80 4 -5 0 592.54 15.90 -4 -5 0 581.14 17.70 4 -5 0 579.64 15.60 4 -5 0 564.94 15.20 4 -5 0 577.34 15.90 -4 -5 0 539.35 15.50 -4 -5 0 540.35 15.30 -4 5 0 546.15 15.20 -4 5 0 577.14 15.80 4 5 0 558.14 15.50 -4 5 0 576.34 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192.88 7.60 -1 -6 0 224.18 8.20 -1 -6 0 194.98 7.20 1 -6 0 195.48 8.10 -1 -6 0 205.48 10.10 -1 -6 0 201.48 7.10 1 -6 0 200.08 7.40 1 -6 0 194.58 7.40 -1 -6 0 195.88 8.20 1 6 0 203.08 9.50 1 6 0 191.88 8.10 1 6 0 203.58 8.00 1 6 0 196.48 7.00 1 6 0 200.08 7.20 -1 6 0 199.68 7.50 -1 6 0 189.08 7.90 -1 6 0 208.08 9.70 -1 6 0 192.98 7.80 -2 -6 0 496.15 13.90 2 -6 0 518.25 14.00 2 -6 0 515.65 13.40 2 -6 0 489.25 13.10 -2 -6 0 511.15 13.70 2 -6 0 505.25 13.60 -2 -6 0 516.35 12.80 -2 -6 0 502.35 12.30 -2 -6 0 512.65 16.40 -2 6 0 504.45 13.30 -2 6 0 542.65 14.10 2 6 0 503.45 13.90 -2 6 0 496.45 13.70 2 6 0 507.95 12.10 2 6 0 516.35 13.60 -2 6 0 511.15 13.70 -2 6 0 521.65 15.60 3 -6 0 868.01 19.50 3 -6 0 864.81 19.70 3 -6 0 883.31 20.20 -3 -6 0 837.62 22.50 -3 -6 0 861.01 19.90 3 -6 0 833.22 19.20 -3 -6 0 864.21 17.90 -3 -6 0 838.22 19.90 3 6 0 862.71 17.40 -3 6 0 878.01 20.20 3 6 0 871.91 22.20 -3 6 0 866.31 19.80 -3 6 0 851.01 19.20 3 6 0 865.01 19.90 3 6 0 886.01 19.80 4 -6 0 511.25 15.50 -4 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846.12 23.40 6 7 0 876.61 23.50 -7 -7 0 55.69 7.70 -7 -7 0 50.89 7.80 7 -7 0 54.19 7.20 -7 -7 0 44.50 7.40 7 -7 0 59.29 8.10 7 -7 0 55.99 6.10 7 -7 0 39.90 6.10 7 7 0 48.60 8.00 -7 7 0 49.60 6.80 7 7 0 62.99 6.70 -7 7 0 56.09 6.20 -7 7 0 55.59 7.80 7 7 0 69.89 5.60 7 7 0 58.19 6.30 8 -7 0 147.69 10.70 -8 -7 0 164.48 12.80 -8 -7 0 158.58 11.50 8 -7 0 149.79 10.00 8 -7 0 138.69 10.40 8 7 0 129.89 7.80 8 7 0 171.78 11.10 8 7 0 145.79 11.60 -8 7 0 134.59 10.10 8 7 0 160.88 12.00 -8 7 0 152.98 10.90 9 -7 0 106.29 9.90 -9 -7 0 107.89 11.60 -9 -7 0 121.69 10.60 9 -7 0 121.49 10.00 9 7 0 98.99 9.20 9 7 0 124.09 11.60 -9 7 0 131.99 10.70 9 7 0 138.49 20.90 -9 7 0 137.69 19.30 9 7 0 115.99 7.90 10 -7 0 22.30 6.00 10 -7 0 19.40 5.40 -10 -7 0 18.90 7.00 -10 -7 0 22.10 5.20 -10 -7 0 18.40 5.20 10 -7 0 16.50 4.90 -10 7 0 10.30 4.80 10 7 0 20.50 4.40 10 7 0 16.40 5.40 -10 7 0 11.70 4.60 -10 7 0 11.70 4.30 -10 7 0 18.80 4.60 10 7 0 18.90 5.80 10 7 0 14.30 5.50 -11 -7 0 8.70 5.70 11 -7 0 12.10 4.60 -11 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13.60 4.20 -5 8 0 15.60 4.10 5 8 0 18.50 5.60 5 8 0 11.10 3.80 5 8 0 13.10 3.80 5 8 0 16.50 3.10 -5 8 0 12.20 3.70 6 -8 0 22.50 4.20 -6 -8 0 28.30 7.10 6 -8 0 34.30 6.10 6 -8 0 35.00 5.80 -6 -8 0 31.20 6.50 -6 -8 0 30.20 5.80 6 -8 0 37.80 6.20 -6 8 0 27.30 4.80 6 8 0 41.60 6.50 6 8 0 37.00 3.90 6 8 0 30.70 5.60 -6 8 0 38.60 6.00 6 8 0 26.20 5.40 -6 8 0 50.39 7.40 -7 -8 0 1.90 3.30 7 -8 0 2.00 2.30 -7 -8 0 13.60 5.30 7 -8 0 -0.80 2.50 7 -8 0 2.60 2.80 7 -8 0 1.60 2.30 -7 -8 0 0.60 1.90 -7 8 0 5.10 3.50 7 8 0 -0.40 2.30 -7 8 0 0.40 1.50 7 8 0 4.50 3.20 7 8 0 2.00 1.80 7 8 0 3.80 2.80 -7 8 0 4.40 3.30 -8 -8 0 19.80 5.60 8 -8 0 13.90 4.80 -8 -8 0 10.20 4.60 8 -8 0 7.10 2.80 8 -8 0 11.30 4.00 8 8 0 24.50 6.70 -8 8 0 20.10 5.60 8 8 0 0.00 2.50 8 8 0 15.20 4.70 8 8 0 19.60 4.10 -9 -8 0 9.90 5.40 9 -8 0 14.30 5.10 9 -8 0 13.30 4.60 -9 -8 0 9.60 5.00 9 -8 0 18.30 5.80 -9 -8 0 13.30 4.70 9 -8 0 8.60 3.90 -9 8 0 11.40 4.90 9 8 0 13.20 3.70 9 8 0 5.40 3.70 9 8 0 10.00 4.20 10 -8 0 -9.70 4.90 -10 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6.60 -9 -4 4 56.29 7.90 -9 -4 4 48.20 6.90 9 -4 -4 45.20 5.00 9 -4 -4 41.60 6.60 -9 4 4 61.79 8.80 -9 4 4 49.40 6.90 9 4 -4 37.70 7.10 -9 4 4 54.59 7.90 9 4 -4 54.49 6.90 9 4 -4 52.29 6.90 9 4 -4 48.50 3.00 -9 4 4 43.10 7.90 -8 -4 4 19.70 5.10 -8 -4 4 15.30 4.10 -8 -4 4 17.90 4.60 8 -4 -4 15.20 3.80 8 -4 -4 16.60 3.80 8 -4 -4 13.90 3.40 -8 4 4 15.50 3.80 -8 4 4 20.50 4.70 -8 4 4 14.00 3.60 8 4 -4 16.80 5.30 8 4 -4 20.30 4.10 8 4 -4 17.40 3.90 7 -4 -4 777.22 20.00 7 -4 -4 782.02 20.60 -7 -4 4 753.22 20.70 -7 -4 4 799.12 25.10 7 -4 -4 772.92 18.80 -7 -4 4 810.12 21.30 -7 4 4 790.72 25.10 -7 4 4 805.42 21.50 7 4 -4 768.92 19.30 7 4 -4 742.73 25.20 7 4 -4 752.62 19.20 6 -4 -4 131.39 7.30 6 -4 -4 124.49 7.00 6 -4 -4 120.39 6.40 -6 -4 4 116.99 6.90 -6 -4 4 114.79 7.10 -6 -4 4 129.29 9.40 -6 4 4 111.29 7.10 6 4 -4 108.29 8.90 -6 4 4 121.89 6.80 6 4 -4 123.09 6.60 -6 4 4 121.99 7.40 -6 4 4 110.29 7.20 6 4 -4 128.19 6.70 -5 -4 4 709.03 17.00 5 -4 -4 664.23 16.00 5 -4 -4 686.73 16.10 -5 -4 4 645.74 20.30 -5 -4 4 667.53 16.60 5 -4 -4 692.53 16.60 5 4 -4 695.63 15.30 -5 4 4 686.83 17.20 -5 4 4 683.13 17.40 5 4 -4 673.33 21.40 -5 4 4 691.83 16.40 5 4 -4 663.43 15.20 -5 4 4 680.93 17.20 4 -4 -4 58.79 4.20 -4 -4 4 61.99 4.30 -4 -4 4 51.49 4.20 -4 -4 4 59.19 5.70 4 -4 -4 63.19 4.30 4 -4 -4 53.69 4.00 -4 4 4 58.69 4.50 4 4 -4 55.89 3.60 4 4 -4 53.29 3.40 -4 4 4 55.59 4.40 4 4 -4 69.49 6.30 -4 4 4 54.09 4.10 -4 4 4 62.79 4.40 3 -4 -4 915.01 19.10 -3 -4 4 920.91 22.30 -3 -4 4 919.31 13.70 -3 -4 4 924.61 17.50 -3 -4 4 900.81 17.40 3 -4 -4 944.71 17.60 3 -4 -4 947.71 18.00 -3 4 4 959.80 18.10 3 4 -4 957.00 15.70 -3 4 4 931.21 19.10 3 4 -4 919.91 22.80 -3 4 4 937.61 18.90 -3 4 4 942.51 18.70 3 4 -4 942.01 17.20 2 -4 -4 4748.02 67.19 -2 -4 4 4785.82 63.69 2 -4 -4 4583.14 63.59 2 -4 -4 4724.73 64.09 -2 -4 4 4790.12 69.99 -2 -4 4 4704.03 68.19 -2 -4 4 4795.12 63.39 2 4 -4 4643.54 60.19 2 4 -4 4799.32 60.39 -2 4 4 4722.93 69.99 -2 4 4 4831.52 62.99 -2 4 4 4695.33 65.09 2 4 -4 4715.63 70.49 1 -4 -4 1164.38 19.70 1 -4 -4 1172.88 20.00 -1 -4 4 1224.68 23.40 -1 -4 4 1176.98 19.50 -1 -4 4 1180.58 19.30 -1 -4 4 1194.58 23.20 1 -4 -4 1181.48 23.00 -1 4 4 1175.18 21.20 -1 4 4 1186.68 22.70 1 4 -4 1156.08 16.20 1 4 -4 1203.88 23.70 -1 4 4 1187.58 17.20 1 4 -4 1227.28 16.40 1 4 -4 1167.08 23.10 -1 4 4 1183.98 20.90 0 -4 -4 286.97 9.90 0 -4 -4 296.17 8.30 0 -4 -4 287.37 8.00 0 -4 4 298.97 7.80 0 -4 4 284.37 7.90 0 -4 4 293.77 9.20 0 -4 4 292.77 9.80 0 4 -4 297.47 9.20 0 4 -4 290.07 9.80 0 4 4 277.47 9.70 0 4 4 293.67 11.00 0 4 4 279.57 8.60 0 4 -4 278.47 6.00 0 4 -4 294.07 6.10 0 4 4 289.17 9.00 1 -4 4 571.14 12.70 -1 -4 -4 549.65 12.70 -1 -4 -4 532.35 12.40 -1 -4 -4 554.44 15.10 1 -4 4 545.75 12.30 1 -4 4 557.14 14.20 1 -4 4 530.55 12.40 -1 4 -4 546.85 14.20 -1 4 -4 561.64 10.90 1 4 4 530.65 13.40 1 4 4 551.54 15.40 -1 4 -4 547.65 11.00 1 4 4 518.15 13.10 -1 4 -4 539.85 11.90 1 4 4 535.55 14.60 -2 -4 -4 2023.90 33.20 -2 -4 -4 2016.80 36.30 -2 -4 -4 2020.30 33.50 -2 -4 -4 2010.80 27.60 2 -4 4 2044.80 35.00 2 -4 4 2041.20 33.20 -2 4 -4 2027.10 31.50 -2 4 -4 1961.10 34.80 2 4 4 2043.20 34.40 2 4 4 1997.00 35.50 -2 4 -4 1982.00 29.60 2 4 4 2096.59 36.70 -2 4 -4 2001.80 31.50 2 4 4 2042.90 34.70 3 -4 4 235.28 9.40 -3 -4 -4 225.58 6.60 3 -4 4 235.58 9.20 3 -4 4 223.68 9.50 -3 -4 -4 233.78 10.20 -3 -4 -4 230.88 9.00 -3 -4 -4 233.88 9.40 3 4 4 232.48 9.60 3 4 4 238.48 9.70 -3 4 -4 227.38 8.40 -3 4 -4 229.28 8.60 3 4 4 225.68 9.70 3 4 4 235.18 10.30 -3 4 -4 239.08 9.90 -4 -4 -4 8.90 3.30 4 -4 4 9.20 2.80 -4 -4 -4 8.80 2.90 -4 -4 -4 10.90 2.10 4 -4 4 12.30 3.20 -4 -4 -4 10.20 4.90 4 -4 4 6.70 2.40 4 4 4 7.20 2.90 -4 4 -4 9.00 2.80 4 4 4 8.00 2.80 -4 4 -4 7.80 3.00 4 4 4 9.30 2.40 -4 4 -4 10.90 3.00 4 4 4 12.00 3.50 -5 -4 -4 254.27 9.10 5 -4 4 255.07 11.60 -5 -4 -4 262.67 11.20 -5 -4 -4 275.47 12.00 5 -4 4 270.47 11.60 -5 -4 -4 252.67 11.80 5 -4 4 275.57 12.00 -5 4 -4 260.27 10.90 5 4 4 269.27 12.30 -5 4 -4 273.07 11.20 5 4 4 274.77 11.00 5 4 4 272.47 12.20 -5 4 -4 288.27 12.10 -6 -4 -4 0.30 1.60 6 -4 4 2.10 2.80 6 -4 4 0.00 2.30 -6 -4 -4 1.90 2.20 6 -4 4 1.40 2.60 -6 -4 -4 3.70 3.80 -6 -4 -4 2.90 3.30 -6 4 -4 5.80 2.60 -6 4 -4 0.90 2.80 6 4 4 0.80 1.90 6 4 4 -1.00 2.60 6 4 4 1.80 2.20 -6 4 -4 2.60 2.80 6 4 4 1.80 2.60 -7 -4 -4 23.60 4.20 7 -4 4 29.50 5.70 7 -4 4 20.90 5.20 -7 -4 -4 20.40 5.00 -7 -4 -4 22.90 5.30 -7 -4 -4 18.50 5.10 7 -4 4 18.50 5.30 7 4 4 27.00 5.80 7 4 4 21.50 4.90 7 4 4 19.80 4.10 -7 4 -4 20.50 4.70 -7 4 -4 25.20 5.10 7 4 4 34.10 6.30 -7 4 -4 17.30 4.20 8 -4 4 133.49 10.20 8 -4 4 120.89 9.90 -8 -4 -4 130.79 9.60 8 -4 4 139.29 10.60 -8 -4 -4 131.09 8.60 -8 -4 -4 127.49 10.00 8 4 4 126.79 10.10 8 4 4 125.79 9.10 -8 4 -4 124.49 9.40 8 4 4 163.28 16.70 -8 4 -4 127.69 9.40 8 4 4 142.59 10.60 -9 -4 -4 30.90 5.70 -9 -4 -4 39.90 6.20 9 -4 4 30.80 6.40 -9 -4 -4 27.90 6.30 -9 -4 -4 37.40 7.10 9 -4 4 40.40 7.70 -9 4 -4 25.70 5.60 9 4 4 35.10 7.20 -9 4 -4 34.40 9.00 9 4 4 30.90 6.20 9 4 4 22.80 4.90 9 4 4 28.20 5.70 10 -4 4 16.90 5.30 -10 -4 -4 20.70 5.70 -10 -4 -4 6.90 5.00 -10 -4 -4 25.00 5.90 10 4 4 12.40 5.40 -10 4 -4 17.90 5.40 10 4 4 15.20 5.60 -10 4 -4 16.20 5.20 -11 -4 -4 6.60 3.80 -11 -4 -4 0.90 4.80 -11 -4 -4 10.00 5.00 11 -4 4 4.60 4.60 -11 4 -4 4.80 4.70 11 4 4 -0.60 4.20 11 4 4 5.70 4.40 13 -5 -4 7.30 5.00 13 -5 -4 0.80 3.80 -13 -5 4 2.70 4.40 -13 -5 4 -3.10 3.50 13 5 -4 -0.90 2.40 13 5 -4 3.30 2.10 -13 5 4 -1.10 4.80 13 5 -4 -2.20 3.70 -13 5 4 5.60 4.10 -12 -5 4 8.60 4.30 12 -5 -4 3.80 3.80 -12 -5 4 -2.60 3.80 12 -5 -4 11.30 5.30 12 5 -4 -4.00 3.70 12 5 -4 0.30 1.70 -12 5 4 -0.10 2.60 -12 5 4 1.50 3.80 12 5 -4 2.70 3.30 12 5 -4 -2.40 1.80 11 -5 -4 17.90 4.80 -11 -5 4 11.60 4.60 -11 -5 4 6.40 3.80 -11 -5 4 6.70 3.70 11 -5 -4 19.90 4.90 11 -5 -4 9.10 3.40 -11 5 4 12.70 4.10 -11 5 4 15.90 4.30 -11 5 4 19.70 5.70 11 5 -4 13.50 2.20 -11 5 4 11.60 4.60 11 5 -4 14.30 2.50 11 5 -4 9.70 3.70 10 -5 -4 106.19 7.90 -10 -5 4 103.29 10.80 10 -5 -4 113.99 8.90 -10 -5 4 94.09 9.20 10 -5 -4 130.99 10.20 -10 -5 4 113.99 9.90 -10 5 4 117.29 10.00 10 5 -4 110.79 8.50 -10 5 4 97.89 10.50 -10 5 4 108.49 9.60 10 5 -4 101.89 8.20 -10 5 4 120.59 10.00 10 5 -4 103.59 4.50 10 5 -4 101.19 11.50 9 -5 -4 2.70 3.10 -9 -5 4 -2.10 2.40 -9 -5 4 2.70 3.60 -9 -5 4 8.00 4.20 9 -5 -4 2.70 2.50 9 -5 -4 4.90 2.40 -9 5 4 2.20 3.10 -9 5 4 12.50 4.10 9 5 -4 1.90 2.60 -9 5 4 5.50 2.20 9 5 -4 1.70 2.40 9 5 -4 4.50 2.80 -8 -5 4 92.79 9.40 8 -5 -4 98.29 6.90 -8 -5 4 82.09 7.60 8 -5 -4 93.09 7.00 8 -5 -4 91.49 7.40 -8 -5 4 93.49 7.80 -8 5 4 86.79 7.60 -8 5 4 78.69 7.60 8 5 -4 99.99 9.80 8 5 -4 91.29 9.20 -8 5 4 92.99 8.00 8 5 -4 79.39 6.60 7 -5 -4 987.40 24.00 -7 -5 4 983.20 28.90 7 -5 -4 926.61 22.10 7 -5 -4 958.80 23.30 -7 -5 4 978.50 24.40 -7 5 4 964.60 24.50 7 5 -4 984.80 22.70 -7 5 4 900.41 24.10 -7 5 4 960.40 24.70 7 5 -4 975.40 22.70 7 5 -4 979.00 29.80 6 -5 -4 21.90 3.90 -6 -5 4 18.60 3.90 6 -5 -4 25.00 4.40 -6 -5 4 22.20 4.20 6 -5 -4 28.30 4.30 -6 -5 4 28.70 4.80 -6 5 4 15.70 3.30 6 5 -4 24.40 3.80 -6 5 4 16.00 4.00 6 5 -4 28.50 6.20 6 5 -4 27.30 4.10 -6 5 4 32.80 5.50 -6 5 4 19.80 4.00 5 -5 -4 92.29 5.80 5 -5 -4 82.79 5.60 -5 -5 4 72.99 5.40 -5 -5 4 91.29 6.20 -5 -5 4 86.39 7.60 5 -5 -4 90.69 6.00 -5 5 4 79.49 5.70 -5 5 4 90.09 6.30 -5 5 4 82.89 5.80 5 5 -4 87.99 5.20 -5 5 4 84.49 5.60 5 5 -4 91.69 5.40 -4 -5 4 888.01 23.70 4 -5 -4 873.71 19.60 4 -5 -4 868.81 18.70 -4 -5 4 886.61 19.10 -4 -5 4 922.81 19.50 4 -5 -4 891.21 19.30 -4 5 4 915.81 19.30 -4 5 4 907.01 19.70 4 5 -4 889.71 24.20 -4 5 4 942.31 20.60 -4 5 4 885.31 20.00 4 5 -4 890.21 17.50 4 5 -4 852.21 17.20 3 -5 -4 348.67 11.10 -3 -5 4 344.07 7.10 3 -5 -4 338.27 10.10 3 -5 -4 333.97 9.80 -3 -5 4 360.36 13.40 -3 -5 4 332.17 9.80 -3 -5 4 343.37 10.20 -3 5 4 354.76 11.00 3 5 -4 340.37 8.60 -3 5 4 340.27 10.60 -3 5 4 344.27 9.60 3 5 -4 344.57 13.30 3 5 -4 347.37 8.80 -3 5 4 351.96 11.00 -2 -5 4 763.42 14.00 2 -5 -4 745.03 17.50 2 -5 -4 773.22 14.80 -2 -5 4 776.92 18.40 -2 -5 4 769.82 15.50 -2 -5 4 760.82 19.40 -2 -5 4 772.02 15.70 2 -5 -4 738.63 15.50 2 -5 -4 757.92 15.90 -2 5 4 753.62 17.00 2 5 -4 753.82 13.60 -2 5 4 742.23 17.20 2 5 -4 746.13 19.50 2 5 -4 733.23 13.50 -2 5 4 751.72 14.10 -1 -5 4 978.00 18.30 -1 -5 4 970.40 21.00 -1 -5 4 1000.90 21.70 1 -5 -4 924.61 18.10 -1 -5 4 967.10 17.90 -1 -5 4 976.00 18.30 1 -5 -4 971.10 18.60 1 -5 -4 963.60 15.50 1 -5 -4 920.21 20.50 1 5 -4 969.60 21.20 1 5 -4 980.60 16.00 -1 5 4 960.10 15.20 -1 5 4 939.11 19.40 1 5 -4 987.70 21.60 -1 5 4 955.90 20.40 -1 5 4 940.81 19.50 0 -5 -4 2078.19 33.20 0 -5 -4 2071.49 36.50 0 -5 4 2074.59 36.00 0 -5 4 2133.49 33.30 0 -5 4 2123.89 32.90 0 -5 4 2172.58 35.90 0 -5 -4 2116.49 33.70 0 5 -4 2126.29 35.40 0 5 -4 2107.19 30.70 0 5 -4 2124.99 36.40 0 5 4 2112.19 36.10 0 5 -4 2148.78 30.80 0 5 4 2113.09 38.90 0 5 4 1986.70 43.40 0 5 4 2143.19 35.00 -1 -5 -4 740.13 18.70 -1 -5 -4 705.43 16.00 1 -5 4 739.73 16.00 1 -5 4 771.12 16.90 -1 -5 -4 741.33 16.50 1 -5 4 743.83 17.90 1 5 4 744.13 19.70 1 5 4 767.92 17.60 -1 5 -4 739.93 14.70 1 5 4 740.53 17.10 -1 5 -4 740.23 16.00 1 5 4 737.83 18.20 -1 5 -4 714.63 17.90 -1 5 -4 745.23 14.60 -2 -5 -4 303.17 10.50 -2 -5 -4 276.47 11.10 -2 -5 -4 268.67 9.60 2 -5 4 291.07 9.90 2 -5 4 288.77 10.00 2 -5 4 290.97 10.80 2 5 4 295.67 10.50 -2 5 -4 294.77 9.00 -2 5 -4 289.37 8.60 2 5 4 295.87 10.90 -2 5 -4 298.97 11.10 2 5 4 277.37 11.70 -2 5 -4 291.17 9.10 2 5 4 285.67 11.10 -3 -5 -4 449.26 14.00 3 -5 4 447.56 13.70 -3 -5 -4 473.05 13.90 3 -5 4 448.76 14.30 -3 -5 -4 470.25 15.60 3 -5 4 443.26 13.40 -3 -5 -4 453.75 10.00 3 5 4 474.05 15.10 -3 5 -4 451.25 14.60 3 5 4 458.95 14.50 -3 5 -4 468.75 12.80 3 5 4 450.85 14.20 -3 5 -4 453.75 10.90 3 5 4 489.85 15.40 -3 5 -4 447.36 12.70 -4 -5 -4 341.87 12.70 -4 -5 -4 324.97 9.30 4 -5 4 332.87 12.70 -4 -5 -4 306.87 11.90 -4 -5 -4 341.77 13.80 4 -5 4 326.47 12.20 4 -5 4 324.27 12.60 4 5 4 329.47 13.00 -4 5 -4 334.67 11.80 4 5 4 325.07 12.50 -4 5 -4 332.27 11.60 -4 5 -4 338.57 9.20 4 5 4 314.87 12.50 -4 5 -4 314.27 12.60 4 5 4 325.97 12.80 -5 -5 -4 40.00 6.20 -5 -5 -4 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6 16.80 4.40 -5 13 6 18.50 4.40 -5 13 6 18.40 5.30 4 -13 -6 1.50 2.60 -4 -13 6 1.50 3.80 4 -13 -6 -1.90 1.90 -4 -13 6 2.40 5.60 -4 -13 6 3.30 3.10 -4 -13 6 -0.60 3.10 4 -13 -6 2.50 2.80 -4 -13 6 5.00 2.30 -4 13 6 4.30 2.90 -4 13 6 -6.20 4.10 4 13 -6 1.90 2.90 -4 13 6 -4.60 2.60 4 13 -6 0.80 2.40 4 13 -6 5.30 3.50 -3 -13 6 1.70 3.30 3 -13 -6 1.80 2.80 -3 -13 6 3.90 2.10 3 -13 -6 -0.20 2.20 -3 -13 6 1.00 5.00 -3 -13 6 -4.30 2.40 -3 -13 6 0.00 3.20 3 -13 -6 -0.40 2.10 3 13 -6 -0.30 2.30 -3 13 6 1.10 2.70 -3 13 6 -0.20 6.50 -3 13 6 1.60 3.60 -3 13 6 -1.30 3.70 -3 13 6 -4.70 1.90 3 13 -6 3.40 2.50 2 -13 -6 171.98 10.70 -2 -13 6 185.88 12.10 2 -13 -6 179.88 8.20 -2 -13 6 178.48 14.90 -2 -13 6 168.48 9.40 -2 -13 6 191.68 11.40 -2 -13 6 170.38 12.20 2 -13 -6 190.18 11.00 -2 13 6 177.88 12.20 2 13 -6 177.68 12.90 -2 13 6 160.08 11.80 -2 13 6 187.88 12.00 2 13 -6 171.48 9.00 -2 13 6 167.48 8.20 2 13 -6 179.08 9.10 -2 13 6 163.28 15.40 -1 -13 6 -2.10 2.00 1 -13 -6 1.80 2.60 -1 -13 6 4.40 3.80 1 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6 104.29 9.40 -3 -14 6 75.29 10.20 3 -14 -6 78.49 8.60 3 -14 -6 75.19 7.90 3 -14 -6 78.09 6.10 -3 -14 6 82.19 9.30 3 14 -6 79.49 6.80 -3 14 6 60.49 9.60 -3 14 6 87.89 8.70 -3 14 6 77.59 6.70 -3 14 6 86.59 11.20 3 14 -6 47.40 9.40 -3 14 6 75.89 10.30 3 14 -6 89.19 7.00 2 -14 -6 0.50 3.00 -2 -14 6 4.10 4.90 2 -14 -6 9.30 4.60 -2 -14 6 4.20 4.00 -2 -14 6 8.40 2.90 -2 -14 6 3.10 4.30 2 -14 -6 12.90 4.30 -2 -14 6 8.20 4.10 2 -14 -6 9.60 2.70 -2 14 6 15.40 4.50 -2 14 6 18.10 5.50 -2 14 6 13.80 5.00 2 14 -6 8.90 3.20 2 14 -6 10.50 3.00 -2 14 6 10.20 7.20 -2 14 6 11.70 3.30 -1 -14 6 4.50 2.80 -1 -14 6 4.80 3.30 -1 -14 6 4.40 4.10 1 -14 -6 -1.70 3.00 1 -14 -6 -0.20 2.50 1 -14 -6 4.00 3.50 1 -14 -6 0.80 1.90 -1 -14 6 1.10 4.70 -1 -14 6 1.70 2.90 -1 14 6 0.70 5.80 -1 14 6 -4.40 2.60 -1 14 6 2.00 2.20 -1 14 6 2.70 4.30 1 14 -6 2.20 2.30 1 14 -6 0.70 2.60 0 -14 6 4.90 5.00 0 -14 -6 2.70 1.70 0 -14 6 7.60 4.30 0 -14 6 -5.00 2.80 0 -14 6 -0.50 2.90 0 -14 -6 0.10 4.00 0 -14 -6 5.20 3.30 0 -14 6 2.10 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15.40 6.50 -10 3 9 23.30 5.10 -10 3 9 25.80 6.40 9 -3 -9 20.90 2.20 -9 -3 9 22.50 4.70 9 -3 -9 17.60 3.70 -9 -3 9 17.40 4.30 -9 -3 9 20.10 5.50 9 -3 -9 20.60 2.20 -9 3 9 23.80 5.40 -9 3 9 22.60 5.10 -9 3 9 19.30 4.60 -9 3 9 21.00 6.50 -8 -3 9 18.40 4.00 -8 -3 9 20.70 3.60 -8 -3 9 11.40 4.10 8 -3 -9 22.00 4.30 -8 3 9 14.10 3.00 -8 3 9 43.20 6.60 -8 3 9 13.70 5.40 -8 3 9 18.50 4.20 -8 3 9 14.80 4.20 -7 -3 9 247.08 10.00 -7 -3 9 260.07 15.70 7 -3 -9 260.77 10.70 -7 -3 9 228.58 9.90 -7 3 9 243.48 10.50 -7 3 9 234.98 9.50 -7 3 9 253.37 19.10 -7 3 9 243.88 11.80 -7 3 9 233.28 10.60 6 -3 -9 21.70 4.10 -6 -3 9 21.60 6.30 -6 -3 9 18.30 3.30 -6 -3 9 17.70 2.90 -6 3 9 20.60 3.80 -6 3 9 21.70 3.90 -6 3 9 16.10 3.40 -5 -3 9 188.98 6.80 5 -3 -9 187.08 9.30 -5 -3 9 189.38 6.30 -5 -3 9 188.18 10.60 -5 -3 9 193.68 12.40 -5 -3 9 190.68 6.80 -5 3 9 199.18 8.90 -5 3 9 182.78 7.70 -5 3 9 184.18 7.90 4 -3 -9 267.67 11.30 -4 -3 9 273.17 10.00 -4 -3 9 269.47 13.60 -4 -3 9 252.67 6.70 -4 -3 9 268.37 7.60 -4 -3 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98.89 4.60 -3 5 9 106.39 7.70 -3 5 9 98.89 6.60 -3 5 9 92.89 5.80 -2 -5 9 16.90 2.50 -2 -5 9 16.70 3.90 2 -5 -9 8.70 3.30 -2 -5 9 12.10 2.60 -2 -5 9 11.20 3.70 -2 5 9 14.50 3.60 -2 5 9 13.40 3.00 -2 5 9 18.60 4.60 1 -5 -9 388.16 15.80 -1 -5 9 377.66 13.60 -1 -5 9 389.16 14.80 -1 -5 9 367.46 10.30 -1 -5 9 394.86 10.10 -1 5 9 369.46 15.10 -1 5 9 364.16 12.40 -1 5 9 380.46 12.20 0 -5 9 154.88 9.40 0 -5 9 151.58 6.50 0 -5 9 136.39 6.70 0 -5 9 140.89 8.10 0 5 9 135.19 7.50 0 5 9 142.39 8.20 0 5 -9 137.59 9.00 0 5 9 140.99 10.60 0 5 9 142.39 9.70 1 -5 9 186.78 10.30 1 -5 9 189.48 8.20 1 -5 9 178.48 8.10 -1 5 -9 182.58 10.30 1 5 9 174.38 8.90 1 5 9 175.28 9.30 1 5 9 171.28 10.90 1 5 9 177.48 11.50 2 -5 9 6.80 3.10 2 -5 9 6.20 2.80 2 -5 9 7.80 2.60 -2 5 -9 9.20 3.50 2 5 9 9.30 3.80 2 5 9 9.40 4.20 2 5 9 4.80 2.50 -3 -5 -9 184.88 5.80 3 -5 9 198.48 10.20 3 -5 9 198.08 10.90 3 5 9 178.68 12.10 -3 5 -9 179.98 10.80 3 5 9 210.88 11.10 3 5 9 186.38 10.30 3 5 9 191.48 10.60 -4 -5 -9 1.60 1.80 4 -5 9 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7 10 74.29 9.70 5 7 10 73.99 9.50 5 7 10 61.99 11.70 -6 -7 -10 15.20 4.40 -6 -7 -10 8.40 4.10 6 -7 10 11.30 4.50 6 -7 10 12.20 5.30 6 7 10 15.00 6.00 6 7 10 9.40 3.80 6 7 10 7.40 4.70 10 -8 -10 54.89 5.40 10 -8 -10 55.79 5.10 10 -8 -10 57.49 8.90 -10 -8 10 55.09 8.30 -10 -8 10 49.10 10.80 -10 -8 10 53.99 14.10 -10 -8 10 43.20 9.30 -10 8 10 59.99 9.00 -10 8 10 50.89 7.60 -9 -8 10 21.00 5.60 -9 -8 10 13.50 5.40 -9 -8 10 16.90 5.50 -9 -8 10 13.40 4.50 9 -8 -10 12.50 2.80 -9 8 10 13.40 4.10 -9 8 10 17.50 4.60 -9 8 10 17.80 4.70 -8 -8 10 0.10 3.20 -8 -8 10 3.70 2.90 8 -8 -10 2.10 1.60 -8 -8 10 -3.90 2.00 -8 -8 10 1.90 3.30 8 -8 -10 1.60 1.50 -8 8 10 7.50 3.30 -8 8 10 2.00 3.40 -8 8 10 1.40 2.80 -7 -8 10 -0.60 3.40 -7 -8 10 4.60 3.00 7 -8 -10 -0.40 2.40 -7 -8 10 -2.60 2.20 -7 -8 10 0.30 3.00 -7 8 10 1.40 2.40 -7 8 10 0.00 2.70 -7 8 10 2.70 3.20 7 8 -10 0.00 3.10 -7 8 10 1.30 2.40 -6 -8 10 116.59 8.50 -6 -8 10 117.39 11.50 -6 -8 10 117.79 10.60 -6 -8 10 120.39 7.90 -6 8 10 112.89 7.20 -6 8 10 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82.69 8.40 0 -8 10 25.10 5.70 0 -8 10 31.20 5.20 0 -8 -10 32.50 8.30 0 -8 10 33.50 6.20 0 -8 10 32.20 4.70 0 8 10 26.30 5.30 0 8 10 28.90 5.80 0 8 10 37.60 7.10 0 8 10 30.90 7.70 1 -8 10 119.09 10.00 1 -8 10 103.09 7.30 1 -8 10 109.39 8.80 1 -8 10 126.09 10.90 1 8 10 102.89 8.40 1 8 10 107.09 9.10 1 8 10 99.09 11.50 1 8 10 105.69 9.60 2 -8 10 0.60 2.20 2 -8 10 -0.90 2.70 2 -8 10 0.20 2.80 -2 8 -10 -4.00 2.90 2 8 10 -2.40 2.30 2 8 10 5.20 3.40 2 8 10 3.60 3.00 2 8 10 -2.40 4.00 3 -8 10 5.30 4.00 3 -8 10 0.30 4.20 -3 -8 -10 2.70 2.00 3 -8 10 6.20 3.90 -3 -8 -10 3.40 2.50 3 8 10 -1.80 4.40 -3 8 -10 4.70 3.60 3 8 10 5.30 4.00 3 8 10 5.50 3.80 3 8 10 2.30 3.00 4 -8 10 76.89 8.00 -4 -8 -10 71.09 5.60 -4 -8 -10 74.79 5.50 4 -8 10 78.29 8.30 4 -8 10 91.89 9.00 4 8 10 71.39 10.10 4 8 10 74.19 9.70 4 8 10 80.59 9.80 -4 8 -10 86.79 11.10 4 8 10 60.89 8.60 -5 -8 -10 21.10 4.40 5 -8 10 26.80 6.20 -5 -8 -10 23.60 4.50 5 -8 10 22.70 6.50 5 -8 10 27.60 6.80 5 8 10 25.40 6.90 5 8 10 18.10 5.00 5 8 10 35.90 6.40 10 -9 -10 24.60 4.30 -10 -9 10 13.80 5.50 -10 -9 10 16.50 7.30 -10 -9 10 29.70 6.50 -10 -9 10 23.10 6.80 10 -9 -10 23.40 4.70 10 -9 -10 29.00 6.40 -10 9 10 17.90 5.40 -10 9 10 30.20 6.10 -10 9 10 21.90 6.00 9 -9 -10 -6.70 3.20 9 -9 -10 4.00 2.70 -9 -9 10 10.00 4.70 -9 -9 10 5.10 5.00 -9 -9 10 2.50 3.90 9 -9 -10 0.30 2.50 -9 -9 10 2.30 4.40 -9 9 10 16.30 5.40 -9 9 10 -0.20 3.10 -9 9 10 4.00 3.40 -8 -9 10 4.10 3.90 8 -9 -10 4.90 4.60 -8 -9 10 9.70 4.10 8 -9 -10 4.10 2.20 8 -9 -10 2.60 3.60 -8 -9 10 0.80 3.40 -8 -9 10 0.00 4.20 -8 9 10 1.20 3.20 -8 9 10 10.50 3.80 -8 9 10 4.50 3.20 7 -9 -10 41.30 3.50 -7 -9 10 43.90 6.80 -7 -9 10 28.50 6.60 -7 -9 10 40.60 6.70 7 -9 -10 24.50 6.10 7 -9 -10 34.60 3.30 -7 -9 10 29.10 7.90 -7 9 10 37.80 5.60 -7 9 10 31.10 6.10 -7 9 10 42.50 7.00 7 9 -10 39.20 7.60 -7 9 10 35.30 6.40 -6 -9 10 18.20 4.70 -6 -9 10 22.70 4.70 -6 -9 10 19.00 6.00 6 -9 -10 19.90 2.30 -6 -9 10 16.90 6.10 6 9 -10 18.00 6.00 -6 9 10 29.20 6.40 -6 9 10 21.70 4.20 -6 9 10 16.30 4.70 -6 9 10 14.60 3.90 -5 -9 10 2.20 2.80 -5 -9 10 0.90 1.50 -5 -9 10 -0.20 1.40 -5 -9 10 0.10 3.20 -5 -9 10 -1.70 3.00 -5 9 10 1.40 2.80 -5 9 10 0.70 3.90 5 9 -10 0.70 2.40 -5 9 10 5.30 2.40 -5 9 10 3.50 2.70 -4 -9 10 15.20 4.70 -4 -9 10 19.10 4.30 -4 -9 10 21.70 6.10 -4 -9 10 25.70 5.10 -4 -9 10 19.80 3.30 -4 9 10 12.80 4.90 4 9 -10 22.90 6.20 -4 9 10 23.90 2.90 -4 9 10 24.40 5.30 -4 9 10 27.00 5.60 -3 -9 10 4.60 2.20 -3 -9 10 -0.50 2.50 3 -9 -10 4.50 4.20 -3 -9 10 4.00 3.10 -3 -9 10 6.20 4.70 -3 -9 10 2.00 3.30 -3 9 10 4.10 3.70 3 9 -10 -3.50 2.30 -3 9 10 6.70 3.70 -3 9 10 4.80 2.50 -3 9 10 4.20 3.50 -2 -9 10 -4.30 3.20 2 -9 -10 0.00 3.30 -2 -9 10 2.20 2.80 -2 -9 10 0.00 3.80 -2 -9 10 4.50 2.60 -2 -9 10 2.10 2.90 -2 9 10 7.40 3.30 -2 9 10 2.20 3.80 -2 9 10 1.50 2.50 -2 9 10 3.90 3.90 2 9 -10 -2.00 2.70 1 -9 -10 144.79 14.10 -1 -9 10 150.18 11.30 -1 -9 10 159.48 9.00 -1 -9 10 153.38 8.70 -1 -9 10 143.69 11.20 -1 -9 10 145.79 9.30 -1 9 10 141.89 10.40 -1 9 10 127.39 9.10 1 9 -10 133.69 10.10 -1 9 10 152.48 13.40 -1 9 10 144.09 10.80 0 -9 10 -1.50 2.70 0 -9 10 1.80 3.40 0 -9 10 5.80 2.50 0 -9 10 3.00 3.70 0 -9 -10 -1.00 3.10 0 9 10 1.40 3.90 0 9 -10 1.60 2.60 0 9 10 5.40 3.40 0 9 10 -0.40 3.20 0 9 10 0.60 2.30 1 -9 10 35.30 5.40 1 -9 10 30.20 6.40 1 -9 10 41.50 6.40 -1 -9 -10 40.10 3.30 -1 -9 -10 35.50 3.00 1 -9 10 31.30 5.40 1 9 10 40.50 6.40 1 9 10 57.09 8.00 -1 9 -10 44.90 11.20 1 9 10 40.70 7.90 1 9 10 25.10 7.60 2 -9 10 46.00 6.90 2 -9 10 42.00 6.80 -2 -9 -10 42.80 4.00 2 -9 10 51.09 8.40 -2 9 -10 32.40 7.30 2 9 10 50.79 8.20 2 9 10 39.50 8.00 2 9 10 42.90 7.30 -3 -9 -10 79.59 5.70 3 -9 10 76.49 9.30 3 -9 10 74.39 7.90 3 -9 10 77.69 8.30 -3 -9 -10 61.59 5.30 3 9 10 56.19 8.10 3 9 10 78.59 10.10 3 9 10 72.09 7.90 -3 9 -10 79.29 11.30 3 9 10 73.59 10.80 -4 -9 -10 1.70 2.80 4 -9 10 0.80 3.50 -4 -9 -10 3.20 3.30 4 -9 10 4.10 3.40 4 -9 10 -1.70 5.20 4 9 10 -2.80 4.00 4 9 10 1.00 3.40 -5 -9 -10 9.20 3.80 5 -9 10 7.00 4.90 5 -9 10 6.90 4.10 5 9 10 1.20 4.40 5 9 10 14.30 5.30 5 9 10 -1.70 3.90 -9 -10 10 -9.30 4.80 -9 -10 10 3.70 4.10 9 -10 -10 4.10 2.80 9 -10 -10 -2.40 4.40 -9 -10 10 2.70 3.70 9 -10 -10 7.70 3.50 -9 -10 10 -4.50 3.40 -9 10 10 -4.30 3.10 -9 10 10 4.30 3.50 -9 10 10 2.80 4.00 8 -10 -10 2.50 4.50 -8 -10 10 20.90 5.60 8 -10 -10 11.20 3.30 8 -10 -10 9.70 2.90 -8 -10 10 12.70 5.30 -8 -10 10 1.30 4.40 -8 10 10 6.40 3.20 -8 10 10 18.60 6.40 -8 10 10 7.20 3.70 -8 10 10 8.00 4.50 -7 -10 10 3.60 2.80 7 -10 -10 2.00 2.40 -7 -10 10 7.00 4.90 7 -10 -10 7.80 2.70 7 -10 -10 2.70 4.00 -7 -10 10 7.80 5.20 -7 10 10 6.00 3.30 -7 10 10 -3.30 2.90 -7 10 10 0.80 2.30 -6 -10 10 -0.10 3.00 -6 -10 10 -1.40 4.10 6 -10 -10 -2.00 3.50 -6 -10 10 2.60 3.90 6 -10 -10 2.90 2.20 -6 -10 10 8.70 4.10 -6 10 10 2.80 2.80 -6 10 10 5.10 4.30 6 10 -10 -2.90 3.40 -6 10 10 2.60 3.60 -6 10 10 3.50 3.00 5 -10 -10 20.80 2.90 -5 -10 10 26.50 7.50 -5 -10 10 15.80 4.80 -5 -10 10 16.90 2.60 -5 -10 10 21.10 4.80 5 -10 -10 19.00 2.80 5 -10 -10 21.60 5.70 -5 -10 10 29.30 6.70 -5 10 10 18.30 3.40 -5 10 10 26.20 6.30 -5 10 10 14.90 4.10 -5 10 10 27.60 5.70 -4 -10 10 6.90 3.70 -4 -10 10 5.20 4.40 4 -10 -10 15.10 4.30 4 -10 -10 7.30 2.00 -4 -10 10 6.10 4.60 4 -10 -10 9.00 1.90 -4 -10 10 10.00 2.70 -4 -10 10 9.30 4.10 -4 10 10 13.20 4.70 -4 10 10 6.10 1.90 4 10 -10 -0.80 3.50 -4 10 10 1.80 4.20 -4 10 10 12.00 3.80 3 -10 -10 162.68 12.40 -3 -10 10 131.39 8.80 3 -10 -10 130.29 5.00 3 -10 -10 134.49 5.30 -3 -10 10 141.19 12.50 -3 -10 10 125.59 8.70 -3 -10 10 134.09 11.40 -3 -10 10 141.89 8.00 3 10 -10 152.78 12.20 -3 10 10 132.19 13.00 -3 10 10 150.28 10.90 -3 10 10 148.69 10.80 -3 10 10 138.79 10.50 -2 -10 10 24.00 5.20 -2 -10 10 38.00 6.60 2 -10 -10 40.90 7.60 -2 -10 10 31.00 5.40 -2 -10 10 28.90 6.80 2 -10 -10 34.20 3.10 -2 -10 10 28.40 5.20 2 -10 -10 25.90 2.70 -2 10 10 27.70 6.70 2 10 -10 25.20 6.00 -2 10 10 24.00 6.50 -2 10 10 29.10 5.90 -2 10 10 26.60 5.70 1 -10 -10 2.50 1.60 -1 -10 10 -0.70 2.40 -1 -10 10 2.50 4.30 -1 -10 10 9.20 3.40 1 -10 -10 4.10 4.20 1 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6.80 3.90 3 10 10 -1.50 3.30 3 10 10 -2.50 4.70 4 -10 10 13.50 6.00 4 -10 10 4.50 4.20 4 -10 10 14.20 5.50 4 10 10 -2.10 4.20 4 10 10 14.30 5.10 4 10 10 10.90 5.10 -9 -11 10 -2.50 5.20 9 -11 -10 2.30 3.60 -9 -11 10 10.00 4.70 -9 -11 10 -4.70 3.90 -9 -11 10 10.60 7.00 9 -11 -10 -2.30 3.10 -9 11 10 8.00 4.70 -9 11 10 2.60 3.40 8 -11 -10 4.50 2.80 -8 -11 10 0.60 4.10 -8 -11 10 -0.20 2.90 -8 -11 10 -5.30 4.60 8 -11 -10 -3.60 3.70 -8 11 10 -3.00 3.00 -8 11 10 -3.10 2.50 -8 11 10 -4.90 3.30 7 -11 -10 12.50 3.30 -7 -11 10 6.60 4.70 -7 -11 10 6.00 5.20 -7 -11 10 9.90 4.70 7 -11 -10 21.20 7.30 -7 -11 10 17.60 5.40 -7 11 10 8.80 4.40 -7 11 10 16.40 5.40 -7 11 10 10.00 4.30 -7 11 10 33.90 7.70 6 -11 -10 17.80 5.90 -6 -11 10 15.50 5.10 6 -11 -10 19.00 3.60 -6 -11 10 -0.30 4.30 -6 -11 10 20.90 5.20 -6 -11 10 9.60 5.20 6 -11 -10 13.00 2.90 6 11 -10 3.00 4.30 -6 11 10 15.30 5.80 -6 11 10 12.10 3.60 -6 11 10 18.30 5.00 -6 11 10 11.00 4.30 -5 -11 10 2.70 3.80 -5 -11 10 0.70 1.60 5 -11 -10 1.00 2.20 5 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3.00 1 -11 -10 -11.30 4.60 1 -11 -10 -1.90 2.00 -1 -11 10 4.10 4.60 -1 11 10 -3.00 2.80 -1 11 10 1.80 4.00 1 11 -10 -5.70 2.30 -1 11 10 3.50 3.00 0 -11 10 -3.30 2.80 0 -11 10 -2.00 3.30 0 -11 10 0.20 3.20 0 -11 -10 5.50 2.40 0 -11 10 -1.70 2.80 0 -11 10 5.30 3.90 0 -11 -10 0.50 2.20 0 11 10 -1.70 2.60 0 11 -10 -1.30 3.30 0 11 10 1.20 3.10 0 11 10 8.90 4.50 0 11 10 -8.20 3.60 1 -11 10 4.10 4.10 -1 -11 -10 -0.30 2.30 1 -11 10 1.10 3.10 1 -11 10 -2.20 3.40 1 -11 10 6.50 4.40 -1 -11 -10 0.30 2.50 -1 11 -10 -0.30 2.80 1 11 10 -2.20 3.60 1 11 10 -3.70 4.70 1 11 10 2.50 3.40 1 11 10 -2.90 2.70 2 -11 10 3.90 3.60 -2 -11 -10 2.00 2.90 2 -11 10 -5.70 3.80 -2 -11 -10 2.00 2.90 2 -11 10 -2.70 3.50 2 -11 10 0.10 3.20 -2 11 -10 0.60 2.80 2 11 10 -0.90 3.10 2 11 10 3.90 3.30 2 11 10 4.20 4.80 3 -11 10 28.60 6.40 3 -11 10 18.20 4.80 3 -11 10 9.50 4.90 -3 -11 -10 15.00 4.10 3 11 10 12.20 5.50 3 11 10 15.70 4.80 3 11 10 -1.50 6.10 -8 -12 10 6.20 5.20 -8 -12 10 16.50 5.70 -8 -12 10 11.10 5.10 -8 -12 10 6.10 6.90 8 -12 -10 6.60 4.00 8 -12 -10 17.40 4.20 -8 12 10 8.10 4.20 -8 12 10 5.60 4.10 -8 12 10 15.50 5.60 -7 -12 10 -9.60 3.90 -7 -12 10 4.00 4.50 7 -12 -10 3.50 3.10 -7 -12 10 -3.10 2.80 -7 12 10 3.40 3.70 -7 12 10 0.60 3.60 -7 12 10 10.40 5.30 -6 -12 10 40.10 7.20 -6 -12 10 24.00 8.00 6 -12 -10 36.90 5.30 6 -12 -10 33.00 5.00 -6 -12 10 32.60 6.80 -6 12 10 47.00 7.50 -6 12 10 31.90 11.80 -6 12 10 27.50 6.40 -6 12 10 27.80 6.20 -5 -12 10 28.10 5.40 -5 -12 10 19.90 7.90 -5 -12 10 27.90 6.60 -5 -12 10 17.90 5.90 -5 -12 10 21.30 3.20 5 -12 -10 28.70 4.10 5 -12 -10 30.20 4.40 5 12 -10 21.80 6.50 -5 12 10 31.90 7.10 -5 12 10 25.30 3.90 -5 12 10 26.80 7.00 -5 12 10 27.30 6.10 -4 -12 10 10.30 4.70 4 -12 -10 13.60 3.20 -4 -12 10 10.30 6.30 -4 -12 10 6.40 3.10 -4 -12 10 11.50 4.30 -4 -12 10 10.70 4.50 -4 12 10 11.20 4.10 -4 12 10 5.70 5.20 -4 12 10 7.50 4.10 4 12 -10 0.80 5.10 3 -12 -10 8.70 3.00 3 -12 -10 11.20 3.20 -3 -12 10 1.70 5.60 -3 -12 10 5.20 4.30 -3 -12 10 1.90 3.90 -3 -12 10 3.80 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33.70 6.60 -4 -1 15 36.40 5.90 -4 -1 15 35.60 6.00 -4 1 15 35.80 5.50 -4 1 15 18.20 5.50 -4 1 15 36.10 6.20 -3 -1 15 11.00 4.40 -3 -1 15 8.50 3.70 -3 -1 15 13.00 4.40 -3 1 15 16.40 3.70 -3 1 15 11.30 4.20 -3 1 15 10.50 4.10 -2 -1 15 12.10 3.70 -2 -1 15 3.40 3.40 -2 -1 15 10.70 4.20 -2 1 15 9.50 2.70 -2 1 15 9.40 4.10 -2 1 15 17.60 3.10 -2 1 15 12.00 2.50 -1 -1 15 22.60 3.50 -1 -1 15 22.40 4.40 -1 -1 15 24.90 6.50 -1 -1 15 25.10 3.20 -1 -1 15 23.70 4.40 -1 1 15 26.40 4.20 -1 1 15 20.60 4.30 -1 1 15 23.30 3.60 -1 1 15 16.90 5.20 -6 -2 15 3.20 4.10 -6 -2 15 3.10 4.60 -6 -2 15 2.00 2.50 -6 2 15 3.30 2.50 -6 2 15 3.70 3.10 -6 2 15 7.80 2.70 -6 2 15 -1.00 3.10 -6 2 15 2.90 4.60 -5 -2 15 -0.10 3.20 -5 -2 15 8.70 3.40 -5 -2 15 3.60 4.00 -5 2 15 4.90 2.20 -5 2 15 3.60 2.60 -5 2 15 6.00 3.40 -5 2 15 5.10 4.40 -5 2 15 3.60 2.50 -4 -2 15 1.30 3.20 -4 -2 15 -5.10 3.20 -4 -2 15 -6.80 2.60 -4 2 15 0.60 2.30 -4 2 15 -3.00 3.10 -4 2 15 5.20 2.20 -4 2 15 1.10 2.60 -4 2 15 -1.20 2.70 -3 -2 15 1.70 3.20 -3 -2 15 3.60 3.70 -3 2 15 -2.50 3.00 -3 2 15 8.70 2.20 -3 2 15 2.10 3.20 -3 2 15 1.90 2.20 -3 2 15 -0.70 2.00 -2 -2 15 34.50 6.00 -2 -2 15 36.20 5.90 -2 -2 15 34.10 6.90 -2 2 15 48.60 4.90 -2 2 15 36.80 6.10 -2 2 15 29.60 6.30 -2 2 15 44.60 4.40 -1 -2 15 -3.30 2.60 -1 -2 15 -0.10 3.70 -1 -2 15 -3.20 2.70 -1 -2 15 -1.70 2.00 -1 -2 15 3.90 2.20 -1 2 15 1.50 4.10 -1 2 15 -1.20 2.80 -1 2 15 -3.30 2.40 -6 -3 15 -4.60 3.20 -6 -3 15 -2.80 3.60 -6 -3 15 0.10 2.50 -6 3 15 2.80 3.20 -6 3 15 -1.70 3.00 -6 3 15 4.50 3.00 -6 3 15 0.10 3.30 -6 3 15 1.30 4.50 -6 3 15 3.80 2.50 -5 -3 15 22.10 4.30 -5 -3 15 8.70 4.60 -5 -3 15 8.40 4.60 -5 3 15 14.50 3.90 -5 3 15 12.10 3.70 -5 3 15 9.70 4.20 -5 3 15 7.40 3.50 -5 3 15 12.00 6.10 -5 3 15 15.00 3.00 -4 -3 15 -2.60 3.70 -4 -3 15 1.30 2.90 -4 -3 15 -0.40 2.50 -4 3 15 -2.00 2.30 -4 3 15 3.40 3.20 -4 3 15 6.40 3.80 -4 3 15 3.10 3.90 -4 3 15 3.50 2.40 -4 3 15 2.20 2.20 -3 -3 15 3.20 3.60 -3 -3 15 4.70 3.90 -3 -3 15 5.40 3.60 -3 3 15 10.60 4.70 -3 3 15 3.10 3.10 -3 3 15 6.70 2.50 -3 3 15 1.20 2.90 -2 -3 15 -6.00 2.80 -2 -3 15 6.60 4.10 -2 -3 15 8.30 3.60 -2 3 15 0.90 3.70 -2 3 15 -1.80 3.20 -2 3 15 0.80 2.20 -2 3 15 4.50 3.00 -5 -4 15 7.80 3.30 -5 -4 15 -5.10 3.50 -5 -4 15 -0.70 4.20 -5 4 15 2.10 5.50 -5 4 15 -0.30 2.60 -5 4 15 9.50 3.90 -5 4 15 -2.80 2.30 -5 4 15 3.90 2.60 -5 4 15 3.80 3.10 -4 -4 15 -1.20 3.60 -4 -4 15 -5.30 3.40 -4 -4 15 -4.50 2.90 -4 4 15 -1.50 3.10 -4 4 15 2.10 2.50 -4 4 15 -1.60 3.50 -4 4 15 1.20 3.20 -3 -4 15 -4.60 2.70 -3 -4 15 -2.80 3.60 -3 4 15 4.20 4.00 -3 4 15 -4.20 3.40 -3 4 15 3.10 3.10 -3 4 15 3.60 3.00 -2 -4 15 34.60 6.10 -2 -4 15 41.90 6.70 -2 4 15 41.10 7.60 -2 4 15 73.59 9.20 -2 4 15 39.00 8.20 -2 4 15 44.20 5.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 60737 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.8717(2) 0.42030(16) 0.67809(19) 0.0479(5) Uani 1 1 d . . . . . H1 H 0.882697 0.458251 0.742695 0.058 Uiso 1 1 calc R . . . . S1 S 0.34223(7) 0.45262(5) 0.53423(7) 0.0709(2) Uani 1 1 d . . . . . N1 N 0.46368(18) 0.39112(14) 0.52081(17) 0.0536(5) Uani 1 1 d . . . . . C2 C 0.9567(2) 0.42615(17) 0.6133(2) 0.0576(6) Uani 1 1 d . . . . . H2 H 1.029020 0.465708 0.634515 0.069 Uiso 1 1 calc R . . . . N2 N 0.27895(18) 0.38639(14) 0.61147(18) 0.0551(5) Uani 1 1 d . . . . . N3 N 0.64924(18) 0.24158(13) 0.53559(17) 0.0499(4) Uani 1 1 d . . . . . H3 H 0.646310 0.200565 0.483344 0.060 Uiso 1 1 calc R . . . . C3 C 0.9335(2) 0.37113(17) 0.5133(2) 0.0589(6) Uani 1 1 d . . . . . H3A H 0.989863 0.375327 0.466528 0.071 Uiso 1 1 calc R . . . . C4 C 0.8298(2) 0.31177(17) 0.4838(2) 0.0531(5) Uani 1 1 d . . . . . H4 H 0.813593 0.277030 0.415854 0.064 Uiso 1 1 calc R . . . . N4 N 0.23816(19) 0.23274(13) 0.75552(17) 0.0519(5) Uani 1 1 d . . . . . H4A H 0.185059 0.186701 0.740308 0.062 Uiso 1 1 calc R . . . . C5 C 0.7469(2) 0.30310(14) 0.55673(18) 0.0433(4) Uani 1 1 d . . . . . N5 N 0.76972(16) 0.35916(12) 0.64942(14) 0.0418(4) Uani 1 1 d . . . . . H5 H 0.717537 0.356343 0.692706 0.050 Uiso 1 1 calc R . . . . C6 C 0.46086(19) 0.31398(14) 0.58044(17) 0.0405(4) Uani 1 1 d . . . . . N6 N 0.10662(18) 0.28998(13) 0.86171(16) 0.0493(4) Uani 1 1 d . . . . . H6 H 0.052917 0.245493 0.834795 0.059 Uiso 1 1 calc R . . . . C7 C 0.5498(2) 0.23957(14) 0.59390(18) 0.0435(4) Uani 1 1 d . . . . . C8 C 0.5327(2) 0.16696(15) 0.6591(2) 0.0540(5) Uani 1 1 d . . . . . H8 H 0.589897 0.117269 0.668450 0.065 Uiso 1 1 calc R . . . . C9 C 0.4290(3) 0.16526(15) 0.7134(2) 0.0555(6) Uani 1 1 d . . . . . H9 H 0.420503 0.114386 0.757243 0.067 Uiso 1 1 calc R . . . . C10 C 0.3425(2) 0.23557(14) 0.70296(18) 0.0444(5) Uani 1 1 d . . . . . C11 C 0.35563(19) 0.31156(14) 0.63365(17) 0.0413(4) Uani 1 1 d . . . . . C12 C 0.2173(2) 0.29776(14) 0.82774(17) 0.0413(4) Uani 1 1 d . . . . . C13 C 0.3032(2) 0.36983(15) 0.87146(18) 0.0469(5) Uani 1 1 d . . . . . H13 H 0.381170 0.376118 0.850664 0.056 Uiso 1 1 calc R . . . . C14 C 0.2725(3) 0.43135(17) 0.9452(2) 0.0584(6) Uani 1 1 d . . . . . H14 H 0.328919 0.480532 0.973115 0.070 Uiso 1 1 calc R . . . . C15 C 0.1573(3) 0.42134(19) 0.9792(2) 0.0626(6) Uani 1 1 d . . . . . H15 H 0.136669 0.463081 1.029873 0.075 Uiso 1 1 calc R . . . . C16 C 0.0770(2) 0.35011(18) 0.9371(2) 0.0561(6) Uani 1 1 d . . . . . H16 H 0.000573 0.341830 0.959719 0.067 Uiso 1 1 calc R . . . . Cl2 Cl -0.03558(7) 0.12936(4) 0.71041(6) 0.06441(19) Uani 1 1 d . . . . . Cl1 Cl 0.63377(7) 0.40279(4) 0.83612(5) 0.05859(18) 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 0.0423(11) 0.0487(12) 0.0489(12) 0.0023(9) 0.0074(9) 0.0025(9) S1 0.0560(4) 0.0784(5) 0.0896(5) 0.0443(4) 0.0389(3) 0.0276(3) N1 0.0450(10) 0.0661(12) 0.0545(11) 0.0194(9) 0.0223(8) 0.0108(9) C2 0.0433(12) 0.0565(13) 0.0753(16) 0.0028(12) 0.0213(11) 0.0005(10) N2 0.0416(10) 0.0655(12) 0.0635(12) 0.0172(10) 0.0240(9) 0.0102(9) N3 0.0477(10) 0.0531(11) 0.0553(11) -0.0154(8) 0.0251(8) -0.0018(8) C3 0.0539(13) 0.0583(14) 0.0758(16) 0.0031(12) 0.0364(12) 0.0066(11) C4 0.0520(12) 0.0565(13) 0.0596(13) -0.0047(11) 0.0300(11) 0.0072(10) N4 0.0575(11) 0.0477(10) 0.0596(11) -0.0091(8) 0.0313(9) -0.0171(8) C5 0.0399(10) 0.0438(11) 0.0475(11) 0.0012(9) 0.0149(9) 0.0080(8) N5 0.0391(9) 0.0468(9) 0.0407(9) 0.0016(7) 0.0139(7) 0.0044(7) C6 0.0364(9) 0.0491(11) 0.0362(9) 0.0009(8) 0.0114(8) -0.0004(8) N6 0.0492(10) 0.0514(10) 0.0507(10) 0.0043(8) 0.0199(8) -0.0085(8) C7 0.0428(10) 0.0460(11) 0.0441(11) -0.0099(9) 0.0166(8) -0.0027(9) C8 0.0625(14) 0.0402(11) 0.0647(14) -0.0059(10) 0.0272(11) 0.0044(10) C9 0.0739(16) 0.0379(11) 0.0630(14) -0.0015(10) 0.0329(12) -0.0045(10) C10 0.0480(11) 0.0440(11) 0.0455(11) -0.0074(9) 0.0205(9) -0.0113(9) C11 0.0364(10) 0.0483(11) 0.0396(10) -0.0016(8) 0.0120(8) -0.0016(8) C12 0.0463(11) 0.0422(10) 0.0383(10) 0.0044(8) 0.0169(8) -0.0043(8) C13 0.0471(11) 0.0519(12) 0.0447(11) -0.0036(9) 0.0183(9) -0.0102(9) C14 0.0687(15) 0.0553(13) 0.0515(13) -0.0092(11) 0.0184(11) -0.0137(12) C15 0.0776(17) 0.0637(15) 0.0535(13) -0.0039(12) 0.0302(12) 0.0092(13) C16 0.0555(13) 0.0653(15) 0.0557(13) 0.0059(11) 0.0292(11) 0.0052(11) Cl2 0.0663(4) 0.0568(4) 0.0695(4) 0.0018(3) 0.0191(3) -0.0177(3) Cl1 0.0854(4) 0.0520(3) 0.0429(3) -0.0073(2) 0.0260(3) -0.0137(3) 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' Cl Cl 0.1484 0.1585 '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' 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 C2 C1 H1 119.8 . . ? C2 C1 N5 120.4(2) . . ? N5 C1 H1 119.8 . . ? N1 S1 N2 101.33(10) . . ? C6 N1 S1 105.93(14) . . ? C1 C2 H2 120.8 . . ? C1 C2 C3 118.3(2) . . ? C3 C2 H2 120.8 . . ? C11 N2 S1 106.10(14) . . ? C5 N3 H3 117.9 . . ? C5 N3 C7 124.11(17) . . ? C7 N3 H3 117.9 . . ? C2 C3 H3A 119.6 . . ? C4 C3 C2 120.9(2) . . ? C4 C3 H3A 119.6 . . ? C3 C4 H4 120.2 . . ? C3 C4 C5 119.6(2) . . ? C5 C4 H4 120.2 . . ? C10 N4 H4A 118.0 . . ? C12 N4 H4A 118.0 . . ? C12 N4 C10 123.94(17) . . ? N3 C5 C4 121.9(2) . . ? N3 C5 N5 120.59(18) . . ? N5 C5 C4 117.6(2) . . ? C1 N5 H5 118.5 . . ? C5 N5 C1 123.02(18) . . ? C5 N5 H5 118.5 . . ? N1 C6 C7 126.21(18) . . ? N1 C6 C11 113.50(18) . . ? C7 C6 C11 120.28(19) . . ? C12 N6 H6 118.9 . . ? C12 N6 C16 122.2(2) . . ? C16 N6 H6 118.9 . . ? C6 C7 N3 119.24(19) . . ? C8 C7 N3 122.7(2) . . ? C8 C7 C6 118.05(19) . . ? C7 C8 H8 119.2 . . ? C7 C8 C9 121.6(2) . . ? C9 C8 H8 119.2 . . ? C8 C9 H9 119.0 . . ? C10 C9 C8 122.0(2) . . ? C10 C9 H9 119.0 . . ? C9 C10 N4 121.7(2) . . ? C9 C10 C11 118.05(19) . . ? C11 C10 N4 120.23(19) . . ? N2 C11 C6 113.11(18) . . ? N2 C11 C10 126.84(18) . . ? C10 C11 C6 120.05(19) . . ? N4 C12 N6 116.97(18) . . ? N4 C12 C13 124.51(19) . . ? N6 C12 C13 118.50(19) . . ? C12 C13 H13 120.3 . . ? C14 C13 C12 119.5(2) . . ? C14 C13 H13 120.3 . . ? C13 C14 H14 119.6 . . ? C13 C14 C15 120.7(2) . . ? C15 C14 H14 119.6 . . ? C14 C15 H15 120.7 . . ? C16 C15 C14 118.5(2) . . ? C16 C15 H15 120.7 . . ? N6 C16 H16 119.7 . . ? C15 C16 N6 120.5(2) . . ? C15 C16 H16 119.7 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 H1 0.9300 . ? C1 C2 1.349(3) . ? C1 N5 1.361(3) . ? S1 N1 1.6105(19) . ? S1 N2 1.6122(19) . ? N1 C6 1.340(3) . ? C2 H2 0.9300 . ? C2 C3 1.401(4) . ? N2 C11 1.340(3) . ? N3 H3 0.8600 . ? N3 C5 1.334(3) . ? N3 C7 1.419(3) . ? C3 H3A 0.9300 . ? C3 C4 1.358(3) . ? C4 H4 0.9300 . ? C4 C5 1.410(3) . ? N4 H4A 0.8600 . ? N4 C10 1.419(3) . ? N4 C12 1.346(3) . ? C5 N5 1.342(3) . ? N5 H5 0.8600 . ? C6 C7 1.415(3) . ? C6 C11 1.432(3) . ? N6 H6 0.8600 . ? N6 C12 1.348(3) . ? N6 C16 1.360(3) . ? C7 C8 1.361(3) . ? C8 H8 0.9300 . ? C8 C9 1.426(3) . ? C9 H9 0.9300 . ? C9 C10 1.355(3) . ? C10 C11 1.417(3) . ? C12 C13 1.388(3) . ? C13 H13 0.9300 . ? C13 C14 1.364(3) . ? C14 H14 0.9300 . ? C14 C15 1.397(4) . ? C15 H15 0.9300 . ? C15 C16 1.343(4) . ? C16 H16 0.9300 . ?