#------------------------------------------------------------------------------ #$Date: 2020-03-05 04:19:40 +0200 (Thu, 05 Mar 2020) $ #$Revision: 249064 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/74/1557472.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_1557472 loop_ _publ_author_name G\'omez-Paz, Carballo, Lago, V\'azquez-L\'opez, _publ_section_title ; Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands ; _journal_issue 1 _journal_name_full Chemistry _journal_page_first 33 _journal_paper_doi 10.3390/chemistry2010005 _journal_volume 2 _journal_year 2020 _chemical_formula_moiety 'C10 H20 Cl6 Cu3 N16 O2 S4, 2(C4 H6 N2)' _chemical_formula_sum 'C18 H32 Cl6 Cu3 N20 O2 S4' _chemical_formula_weight 1092.19 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2019-10-09 _audit_creation_method ; Olex2 1.3 (compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938) ; _cell_angle_alpha 64.067(2) _cell_angle_beta 79.492(2) _cell_angle_gamma 82.134(2) _cell_formula_units_Z 1 _cell_length_a 6.7181(5) _cell_length_b 12.9961(9) _cell_length_c 12.9971(9) _cell_measurement_reflns_used 9824 _cell_measurement_temperature 100.0 _cell_measurement_theta_max 30.56 _cell_measurement_theta_min 2.96 _cell_volume 1001.29(12) _computing_cell_refinement 'SAINT V8.38A (?, 2016)' _computing_data_reduction 'SAINT V8.38A (?, 2016)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL n/a (Sheldrick, 2008)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 100.0 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker D8 Venture Photon 100 CMOS' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator 'Incoatec HeliosTM multilayer optics' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0256 _diffrn_reflns_av_unetI/netI 0.0209 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 29257 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.576 _diffrn_reflns_theta_min 2.958 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.239 _exptl_absorpt_correction_T_max 0.7461 _exptl_absorpt_correction_T_min 0.6127 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1061 before and 0.0398 after correction. The Ratio of minimum to maximum transmission is 0.8212. The \l/2 correction factor is Not present. ; _exptl_crystal_colour blue _exptl_crystal_colour_primary blue _exptl_crystal_density_diffrn 1.811 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 549 _exptl_crystal_size_max 0.269 _exptl_crystal_size_mid 0.119 _exptl_crystal_size_min 0.071 _refine_diff_density_max 0.406 _refine_diff_density_min -0.655 _refine_diff_density_rms 0.079 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.080 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 246 _refine_ls_number_reflns 6158 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.080 _refine_ls_R_factor_all 0.0247 _refine_ls_R_factor_gt 0.0209 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0218P)^2^+0.5675P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0502 _refine_ls_wR_factor_ref 0.0514 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5643 _reflns_number_total 6158 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file structures.cif _cod_data_source_block 1.solv _cod_database_code 1557472 _shelx_shelxl_version_number 2017/1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.857 _shelx_estimated_absorpt_t_min 0.584 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H,H) groups 2.a Rotating group: O1(H1C,H1D) 2.b Secondary CH2 refined with riding coordinates: C1(H1A,H1B) 2.c Idealised Me refined as rotating group: C12(H12A,H12B,H12C), C41(H41A,H41B,H41C), C22(H22A,H22B,H22C), C31(H31A,H31B, H31C) ; _shelx_res_file ; TITL 32022401_0m_a.res in P-1 32022401_0m.res created by SHELXL-2017/1 at 16:29:25 on 09-Oct-2019 REM Old TITL 32022401_0m in P-1 REM SHELXT solution in P-1 REM R1 0.060, Rweak 0.005, Alpha 0.045, Orientation as input REM Formula found by SHELXT: C34 N2 S4 Cl6 Cu3 CELL 0.71073 6.7181 12.9961 12.9971 64.067 79.492 82.134 ZERR 1 0.0005 0.0009 0.0009 0.002 0.002 0.002 LATT 1 SFAC C H N S Cl Cu O UNIT 18 32 20 4 6 3 2 EQIV $1 1-X,1-Y,-Z EQIV $2 2-X,1-Y,-Z EQIV $3 1+X,+Y,+Z EQIV $4 2-X,-Y,1-Z EQIV $5 1-X,-Y,1-Z EQIV $6 1-X,1-Y,1-Z EQIV $7 -1+X,+Y,+Z EQIV $8 -1+X,1+Y,+Z EQIV $9 +X,1+Y,+Z L.S. 10 0 0 PLAN 4 SIZE 0.071 0.119 0.269 TEMP -173.15 CONF HTAB C12 N41_$6 HTAB C1 S1_$1 HTAB C1 Cl3_$1 HTAB C1 Cl2_$2 HTAB C1 S2_$2 HTAB C12 N31 HTAB C41 Cl2_$1 HTAB C22 Cl3_$3 HTAB C31 N6_$4 HTAB C31 N7_$5 HTAB C31 Cl1_$6 HTAB O1 Cl1_$7 HTAB O1 Cl2_$8 HTAB O1 Cl3_$9 HTAB C31 O1_$6 HTAB C41 Cl1_$7 BOND $H list 4 MORE -1 htab fmap 2 53 acta OMIT 1 2 2 REM REM REM WGHT 0.021800 0.567500 FVAR 0.46304 CU1 6 0.703369 0.236023 0.047425 11.00000 0.00665 0.00673 = 0.00781 -0.00333 -0.00232 -0.00024 CU2 6 0.500000 1.000000 0.000000 10.50000 0.00828 0.00688 = 0.01011 -0.00485 -0.00255 -0.00009 CL1 5 0.735333 1.026938 0.089660 11.00000 0.01212 0.00700 = 0.01351 -0.00500 -0.00591 0.00109 CL3 5 0.388512 0.247625 0.146985 11.00000 0.00842 0.01075 = 0.01187 -0.00639 -0.00086 0.00009 CL2 5 1.001584 0.298970 -0.064006 11.00000 0.00873 0.01356 = 0.01236 -0.00579 -0.00044 -0.00295 S1 4 0.467359 0.488513 0.172211 11.00000 0.00852 0.00634 = 0.01264 -0.00409 -0.00198 -0.00107 S2 4 0.929242 0.424123 0.162438 11.00000 0.00839 0.00948 = 0.01430 -0.00604 -0.00313 -0.00038 N8 3 0.822526 0.210558 0.190481 11.00000 0.01029 0.00871 = 0.00976 -0.00323 -0.00325 -0.00021 N4 3 0.428494 0.722482 0.097275 11.00000 0.00811 0.00717 = 0.00944 -0.00429 -0.00153 -0.00049 N3 3 0.472534 0.800353 0.131577 11.00000 0.01018 0.00810 = 0.01054 -0.00479 -0.00272 -0.00066 N1 3 0.569103 0.636719 0.252523 11.00000 0.00937 0.00730 = 0.00794 -0.00285 -0.00141 -0.00101 N5 3 0.960864 0.209520 0.328095 11.00000 0.01066 0.01245 = 0.00929 -0.00491 -0.00290 0.00020 N7 3 0.841129 0.101184 0.273640 11.00000 0.01664 0.01012 = 0.01127 -0.00210 -0.00519 0.00002 N2 3 0.557417 0.749424 0.225219 11.00000 0.01229 0.00781 = 0.01013 -0.00414 -0.00211 -0.00090 N6 3 0.926555 0.099879 0.355638 11.00000 0.01687 0.01218 = 0.01242 -0.00368 -0.00526 -0.00096 C11 1 0.490051 0.619958 0.173718 11.00000 0.00648 0.00809 = 0.00924 -0.00425 -0.00032 -0.00070 C1 1 0.711142 0.480709 0.086397 11.00000 0.01036 0.00856 = 0.01056 -0.00495 -0.00242 0.00105 AFIX 23 H1A 2 0.698740 0.432931 0.046158 11.00000 -1.20000 H1B 2 0.738123 0.558914 0.026334 11.00000 -1.20000 AFIX 0 C21 1 0.896854 0.277701 0.225957 11.00000 0.00560 0.01156 = 0.00937 -0.00492 -0.00127 0.00066 N41 3 0.165729 0.613119 0.408217 11.00000 0.01980 0.03279 = 0.02656 -0.00193 -0.00229 0.00157 C42 1 0.090285 0.699564 0.353397 11.00000 0.01232 0.02592 = 0.01627 -0.00883 -0.00085 -0.00325 C12 1 0.658558 0.554547 0.354877 11.00000 0.01733 0.01125 = 0.00966 -0.00222 -0.00689 0.00123 AFIX 137 H12A 2 0.806517 0.549467 0.335776 11.00000 -1.50000 H12B 2 0.606907 0.479002 0.380488 11.00000 -1.50000 H12C 2 0.622112 0.580183 0.416858 11.00000 -1.50000 AFIX 0 C41 1 -0.006002 0.809555 0.282924 11.00000 0.01934 0.02044 = 0.02167 -0.01066 -0.00589 0.00152 AFIX 137 H41A 2 -0.005998 0.814755 0.205393 11.00000 -1.50000 H41B 2 0.069207 0.871659 0.277484 11.00000 -1.50000 H41C 2 -0.146046 0.816306 0.318445 11.00000 -1.50000 AFIX 0 N31 3 0.516873 0.258889 0.474220 11.00000 0.04024 0.02777 = 0.03219 -0.00372 -0.01124 -0.00342 C22 1 1.060561 0.239116 0.401389 11.00000 0.01887 0.02374 = 0.01306 -0.00968 -0.00727 -0.00157 AFIX 137 H22A 2 1.076093 0.171223 0.473863 11.00000 -1.50000 H22B 2 0.978073 0.299688 0.418116 11.00000 -1.50000 H22C 2 1.194499 0.266319 0.361430 11.00000 -1.50000 AFIX 0 C32 1 0.548506 0.168729 0.541338 11.00000 0.01579 0.02661 = 0.01829 -0.00746 -0.00242 -0.00513 C31 1 0.590195 0.053394 0.628074 11.00000 0.02444 0.02764 = 0.02552 0.00184 -0.00103 0.00024 AFIX 137 H31A 2 0.727495 0.025082 0.607574 11.00000 -1.50000 H31B 2 0.491610 0.002607 0.631401 11.00000 -1.50000 H31C 2 0.579550 0.054834 0.703650 11.00000 -1.50000 AFIX 0 O1 7 0.271112 1.054228 0.091853 11.00000 0.01040 0.01200 = 0.01493 -0.00803 -0.00271 0.00007 AFIX 7 H1C 2 0.166241 1.083537 0.052773 11.00000 -1.50000 H1D 2 0.306511 1.112979 0.100562 11.00000 -1.50000 AFIX 0 HKLF 4 REM 32022401_0m_a.res in P-1 REM R1 = 0.0209 for 5643 Fo > 4sig(Fo) and 0.0247 for all 6158 data REM 246 parameters refined using 0 restraints END WGHT 0.0218 0.5675 REM Instructions for potential hydrogen bonds HTAB C1 S1_$1 HTAB C1 Cl3_$1 HTAB C1 Cl2_$2 HTAB C1 S2_$2 HTAB C12 N31 HTAB C41 Cl2_$1 HTAB C22 Cl3_$3 HTAB C31 N6_$4 HTAB C31 N7_$5 HTAB C31 Cl1_$6 HTAB O1 Cl1_$7 HTAB O1 Cl2_$8 HTAB O1 Cl3_$9 REM Highest difference peak 0.406, deepest hole -0.655, 1-sigma level 0.079 Q1 1 0.3567 1.0415 0.0472 11.00000 0.05 0.41 Q2 1 0.9264 0.2426 0.2788 11.00000 0.05 0.36 Q3 1 0.4734 0.0319 0.6921 11.00000 0.05 0.36 Q4 1 0.6086 0.4824 0.1209 11.00000 0.05 0.36 ; _shelx_res_checksum 7385 _shelx_hkl_file ; -1 0 0 715.33 17.90 -1 0 0 721.43 17.90 -1 0 0 702.43 18.10 -1 0 0 689.73 18.00 -1 0 0 738.73 17.90 1 0 0 685.93 17.90 1 0 0 709.53 17.90 1 0 0 694.33 18.00 1 0 0 723.23 17.90 -2 0 0 1400.06 36.10 -2 0 0 1440.76 35.70 -2 0 0 1381.96 35.90 -2 0 0 1426.56 35.70 2 0 0 1408.56 36.00 2 0 0 1406.96 35.70 2 0 0 1440.46 35.80 2 0 0 1419.26 35.80 -3 0 0 34.50 1.50 -3 0 0 32.50 2.20 -3 0 0 32.90 2.00 -3 0 0 33.40 1.50 -3 0 0 32.90 1.40 3 0 0 33.30 1.70 3 0 0 32.80 1.90 3 0 0 34.30 1.70 3 0 0 33.30 1.70 3 0 0 30.60 1.60 -4 0 0 973.30 25.40 -4 0 0 963.60 26.60 -4 0 0 991.80 25.20 -4 0 0 970.10 25.20 4 0 0 996.90 25.60 4 0 0 1034.90 26.40 -5 0 0 499.55 15.20 -5 0 0 503.05 13.70 5 0 0 502.55 14.80 5 0 0 534.05 14.40 5 0 0 502.75 14.30 5 0 0 521.65 13.80 5 0 0 515.85 14.50 5 0 0 501.15 14.90 -6 0 0 4.30 1.70 6 0 0 3.90 1.60 6 0 0 6.20 1.10 6 0 0 4.00 1.40 6 0 0 9.80 2.00 6 0 0 5.50 2.20 6 0 0 1.10 1.80 -7 0 0 92.49 5.70 7 0 0 89.59 5.50 7 0 0 92.69 5.10 7 0 0 92.69 4.60 7 0 0 90.29 5.70 -8 0 0 -3.50 2.30 8 0 0 -3.10 2.50 8 0 0 0.00 2.00 -9 0 0 170.68 9.20 9 0 0 164.78 9.40 9 0 0 174.18 8.10 9 -1 0 -4.00 3.00 9 -1 0 -3.00 2.90 -9 1 0 1.30 3.40 8 -1 0 67.89 5.80 8 -1 0 74.29 4.60 -8 1 0 63.19 5.70 7 -1 0 59.49 4.90 7 -1 0 57.59 5.20 7 -1 0 71.39 4.10 -7 1 0 60.59 4.90 6 -1 0 337.87 11.10 6 -1 0 345.17 10.60 6 -1 0 357.66 11.90 6 -1 0 331.97 11.40 6 -1 0 364.66 10.60 6 -1 0 342.77 11.00 -6 1 0 354.86 11.70 5 -1 0 147.99 5.20 5 -1 0 149.39 5.70 5 -1 0 153.78 5.30 5 -1 0 144.29 6.10 5 -1 0 146.19 5.90 5 -1 0 151.48 5.50 -5 1 0 150.78 6.10 4 -1 0 35.10 2.60 4 -1 0 34.10 2.00 4 -1 0 35.80 2.20 4 -1 0 34.10 2.30 4 -1 0 40.90 2.50 4 -1 0 36.20 2.00 -4 1 0 35.30 2.20 -4 1 0 36.00 1.70 -4 1 0 36.00 1.70 -4 1 0 33.50 2.50 3 -1 0 22.10 1.80 3 -1 0 22.60 1.50 3 -1 0 19.80 1.80 3 -1 0 19.70 1.40 3 -1 0 18.40 1.30 -3 1 0 23.20 1.50 -3 1 0 19.40 1.20 -3 1 0 19.70 1.80 -3 1 0 20.90 1.20 2 -1 0 1287.47 32.90 2 -1 0 1256.57 32.60 2 -1 0 1297.77 32.60 2 -1 0 1325.77 32.70 -2 1 0 1265.87 32.50 -2 1 0 1281.67 32.60 -2 1 0 1290.47 32.50 1 -1 0 1630.54 49.20 -1 -1 0 766.92 19.90 -1 -1 0 826.62 20.10 -1 -1 0 781.92 20.00 -1 -1 0 775.92 19.90 1 1 0 765.52 19.90 1 1 0 785.12 20.00 1 1 0 793.82 20.00 1 1 0 795.32 20.10 -2 -1 0 2.60 0.50 -2 -1 0 2.60 0.40 -2 -1 0 2.80 0.40 -2 -1 0 2.10 0.60 -2 -1 0 2.40 0.60 2 1 0 2.80 0.60 2 1 0 3.40 0.60 2 1 0 2.70 0.50 2 1 0 3.60 0.60 2 1 0 2.80 0.60 -3 -1 0 127.59 3.70 -3 -1 0 123.79 4.40 -3 -1 0 122.29 3.70 -3 -1 0 129.39 4.20 -3 -1 0 129.39 4.60 3 1 0 130.59 4.10 3 1 0 128.09 4.30 3 1 0 127.19 4.30 3 1 0 123.89 4.10 3 1 0 126.89 4.40 -4 -1 0 939.11 26.00 -4 -1 0 968.90 25.30 -4 -1 0 947.81 25.90 -4 -1 0 969.00 24.60 4 1 0 977.80 25.50 4 1 0 964.10 25.50 4 1 0 1013.10 25.90 -5 -1 0 7.10 1.50 -5 -1 0 5.40 1.60 -5 -1 0 7.20 1.20 5 1 0 8.20 1.80 5 1 0 8.50 1.50 5 1 0 7.20 1.40 5 1 0 5.60 1.60 5 1 0 7.60 1.50 5 1 0 7.50 1.40 -6 -1 0 391.76 12.70 6 1 0 376.26 12.50 6 1 0 397.46 11.80 6 1 0 402.56 12.00 6 1 0 397.96 11.50 6 1 0 388.36 11.80 -7 -1 0 236.78 9.30 7 1 0 232.58 8.20 7 1 0 227.58 8.60 7 1 0 228.28 8.60 7 1 0 240.18 7.60 -8 -1 0 117.89 7.00 8 1 0 112.59 7.30 8 1 0 137.39 6.20 -9 -1 0 270.17 11.60 9 1 0 263.47 10.40 9 1 0 267.37 12.20 9 -2 0 55.19 6.80 -9 2 0 57.89 6.60 8 -2 0 10.70 3.10 8 -2 0 12.60 2.50 -8 2 0 9.40 3.10 7 -2 0 416.56 14.50 7 -2 0 437.46 13.10 -7 2 0 426.46 14.50 6 -2 0 1.70 1.90 6 -2 0 3.00 1.90 6 -2 0 2.00 1.30 6 -2 0 2.50 1.50 -6 2 0 -1.00 1.40 5 -2 0 249.88 8.60 5 -2 0 253.17 9.00 5 -2 0 252.97 8.20 5 -2 0 266.47 8.40 5 -2 0 258.07 8.00 -5 2 0 262.87 7.30 -5 2 0 256.37 7.30 -5 2 0 255.87 8.90 -5 2 0 258.27 8.20 4 -2 0 391.36 11.20 4 -2 0 418.16 11.50 4 -2 0 392.66 11.30 4 -2 0 401.36 11.80 -4 2 0 397.16 10.90 -4 2 0 404.86 10.90 -4 2 0 401.76 11.30 -4 2 0 381.96 11.90 3 -2 0 774.82 20.40 3 -2 0 792.52 20.80 3 -2 0 744.93 20.30 3 -2 0 808.12 20.50 -3 2 0 781.82 21.10 -3 2 0 749.73 20.30 -3 2 0 791.82 20.30 -3 2 0 772.32 20.20 2 -2 0 13.90 0.90 2 -2 0 14.70 0.90 2 -2 0 12.50 1.00 -2 2 0 13.10 1.20 -2 2 0 15.90 1.30 -2 2 0 13.90 0.90 -2 2 0 13.60 1.00 -2 2 0 14.30 1.10 1 -2 0 654.13 16.20 1 -2 0 651.93 16.30 1 -2 0 620.84 16.50 1 -2 0 652.53 16.70 1 -2 0 645.94 16.70 -1 2 0 642.44 16.70 -1 2 0 635.04 16.40 -1 2 0 639.84 16.50 -1 2 0 648.94 16.70 0 -2 0 941.71 24.20 0 -2 0 950.50 24.20 0 -2 0 926.21 24.20 0 2 0 952.30 24.10 0 2 0 938.41 24.20 0 2 0 948.61 24.20 0 2 0 993.00 24.00 -1 -2 0 118.69 3.50 -1 -2 0 118.79 3.40 -1 -2 0 115.69 3.70 -1 -2 0 119.39 3.30 1 2 0 119.99 3.40 1 2 0 115.69 3.80 1 2 0 116.89 3.50 1 2 0 115.09 3.60 -2 -2 0 758.72 19.70 -2 -2 0 769.62 19.90 -2 -2 0 763.12 20.00 -2 -2 0 782.22 20.10 -2 -2 0 733.73 19.60 2 2 0 767.22 19.90 2 2 0 777.62 20.20 2 2 0 767.82 19.70 -3 -2 0 984.10 24.60 -3 -2 0 924.21 23.90 -3 -2 0 911.11 23.90 -3 -2 0 936.61 24.60 -3 -2 0 938.91 24.60 3 2 0 953.20 24.10 3 2 0 911.41 24.70 3 2 0 951.10 24.60 3 2 0 877.11 26.00 3 2 0 941.61 24.30 -4 -2 0 14.30 1.70 -4 -2 0 14.50 1.60 -4 -2 0 10.70 1.00 -4 -2 0 14.60 1.80 -4 -2 0 12.30 1.00 4 2 0 16.80 1.90 4 2 0 13.80 1.80 4 2 0 11.60 1.50 4 2 0 14.00 1.50 4 2 0 14.90 1.80 -5 -2 0 222.38 7.70 -5 -2 0 218.68 7.10 -5 -2 0 205.98 7.60 5 2 0 217.28 7.00 5 2 0 220.58 7.20 5 2 0 222.78 7.50 5 2 0 222.08 7.60 5 2 0 223.48 7.40 -6 -2 0 67.69 4.30 -6 -2 0 62.29 4.10 -6 -2 0 68.39 3.50 6 2 0 62.99 4.00 6 2 0 61.89 3.70 6 2 0 58.89 4.50 6 2 0 60.19 3.70 6 2 0 66.69 3.70 -7 -2 0 180.28 6.90 -7 -2 0 198.88 8.30 7 2 0 209.28 7.30 7 2 0 200.28 7.90 7 2 0 211.98 7.60 7 2 0 181.88 7.60 -8 -2 0 79.39 5.90 8 2 0 87.69 4.80 8 2 0 77.39 5.10 -9 -2 0 11.50 3.50 9 2 0 4.80 3.60 9 2 0 7.70 3.10 9 -3 0 24.40 4.60 9 -3 0 30.20 4.20 -9 3 0 22.80 4.50 8 -3 0 198.48 9.30 8 -3 0 195.48 7.90 -8 3 0 190.08 9.10 7 -3 0 154.68 6.20 7 -3 0 145.99 9.30 6 -3 0 452.95 14.80 6 -3 0 473.15 13.70 6 -3 0 461.85 13.80 6 -3 0 474.15 14.40 -6 3 0 472.15 14.80 -6 3 0 471.65 13.90 5 -3 0 2.90 1.00 5 -3 0 2.60 1.30 5 -3 0 -1.50 1.30 5 -3 0 0.70 1.10 5 -3 0 -0.30 1.40 -5 3 0 2.70 0.90 -5 3 0 -1.50 1.30 -5 3 0 1.00 1.10 -5 3 0 0.90 0.90 4 -3 0 350.16 10.10 4 -3 0 365.46 10.50 4 -3 0 352.36 10.70 4 -3 0 345.57 10.80 4 -3 0 346.27 10.00 -4 3 0 358.76 10.00 -4 3 0 360.76 10.10 -4 3 0 339.77 10.80 -4 3 0 345.47 9.90 3 -3 0 755.32 19.40 3 -3 0 734.93 18.90 3 -3 0 736.43 19.20 3 -3 0 718.23 19.70 -3 3 0 668.63 19.40 -3 3 0 717.33 19.70 -3 3 0 731.93 19.00 -3 3 0 734.13 19.40 2 -3 0 163.78 4.50 2 -3 0 163.98 5.20 2 -3 0 162.88 4.90 2 -3 0 165.18 5.10 -2 3 0 164.08 4.90 -2 3 0 140.19 5.70 -2 3 0 169.98 5.40 -2 3 0 166.68 5.10 1 -3 0 37.80 1.50 1 -3 0 38.20 1.70 1 -3 0 38.40 1.60 1 -3 0 40.90 1.80 -1 3 0 39.10 1.60 -1 3 0 36.40 1.60 -1 3 0 36.60 1.80 -1 3 0 36.60 1.50 -1 3 0 38.00 1.70 0 -3 0 44.90 1.90 0 -3 0 43.40 1.90 0 -3 0 42.50 1.90 0 3 0 45.70 1.60 0 3 0 47.30 1.90 0 3 0 41.40 1.90 -1 -3 0 38.80 1.30 -1 -3 0 38.60 1.60 -1 -3 0 37.10 1.90 -1 -3 0 41.60 2.00 -1 -3 0 37.80 1.70 1 3 0 39.70 2.00 1 3 0 41.80 1.60 1 3 0 39.30 1.80 1 3 0 40.60 1.90 -2 -3 0 370.26 10.20 -2 -3 0 372.56 10.10 -2 -3 0 364.66 10.10 -2 -3 0 372.76 10.70 2 3 0 380.06 10.40 2 3 0 390.06 10.10 -3 -3 0 557.74 15.80 -3 -3 0 564.74 15.60 -3 -3 0 564.14 15.20 -3 -3 0 574.04 15.10 3 3 0 592.64 16.10 3 3 0 590.24 15.60 3 3 0 584.44 15.30 -4 -3 0 3.40 1.10 -4 -3 0 3.20 1.10 -4 -3 0 3.50 0.70 -4 -3 0 2.60 0.70 -4 -3 0 3.70 1.10 4 3 0 3.40 1.10 4 3 0 1.90 1.10 4 3 0 2.00 1.10 4 3 0 3.90 1.00 -5 -3 0 8.90 1.70 -5 -3 0 12.20 2.00 -5 -3 0 10.00 1.70 5 3 0 7.00 1.70 5 3 0 10.80 1.60 5 3 0 10.40 1.60 5 3 0 10.40 1.80 5 3 0 10.90 1.90 -6 -3 0 430.56 13.00 -6 -3 0 443.46 13.70 -6 -3 0 430.46 13.50 6 3 0 436.16 13.10 6 3 0 402.36 13.60 6 3 0 432.36 12.70 6 3 0 435.26 13.30 6 3 0 432.46 13.30 -7 -3 0 102.69 5.70 -7 -3 0 107.79 5.80 -7 -3 0 101.39 5.20 7 3 0 95.99 5.50 7 3 0 104.99 5.30 7 3 0 106.39 5.50 7 3 0 96.59 6.20 -8 -3 0 183.88 8.60 8 3 0 189.48 7.90 8 3 0 189.48 7.90 -9 -3 0 8.70 3.60 9 3 0 6.30 3.40 9 -4 0 142.39 9.30 9 -4 0 148.49 8.10 -9 4 0 150.38 9.20 8 -4 0 58.89 5.90 8 -4 0 64.99 5.10 -8 4 0 74.79 6.10 7 -4 0 271.17 9.20 7 -4 0 253.87 10.30 -7 4 0 261.57 10.30 6 -4 0 8.60 2.60 6 -4 0 9.60 1.90 6 -4 0 7.70 1.90 6 -4 0 9.10 2.00 -6 4 0 7.70 1.80 -6 4 0 8.40 2.20 -6 4 0 6.10 1.30 5 -4 0 151.88 6.30 5 -4 0 151.28 5.30 5 -4 0 143.99 6.20 5 -4 0 152.08 6.10 5 -4 0 152.58 5.60 -5 4 0 154.38 5.20 -5 4 0 156.18 5.50 -5 4 0 156.98 6.40 -5 4 0 150.28 5.20 4 -4 0 918.01 25.00 4 -4 0 932.61 25.80 4 -4 0 969.90 25.40 -4 4 0 923.01 25.70 -4 4 0 940.21 24.80 -4 4 0 940.51 25.00 -4 4 0 988.90 25.00 3 -4 0 64.29 2.30 3 -4 0 67.29 3.20 3 -4 0 68.69 2.90 3 -4 0 60.99 3.00 -3 4 0 60.59 3.00 -3 4 0 67.69 2.70 -3 4 0 59.09 2.70 -3 4 0 64.29 3.00 -3 4 0 66.49 3.30 2 -4 0 27.10 1.90 2 -4 0 27.20 1.70 2 -4 0 27.70 1.10 2 -4 0 27.60 1.30 2 -4 0 26.70 1.90 -2 4 0 27.20 1.90 -2 4 0 25.80 1.40 -2 4 0 27.00 1.60 -2 4 0 27.80 2.00 -2 4 0 22.60 1.90 1 -4 0 1264.77 31.90 1 -4 0 1187.48 31.60 1 -4 0 1243.68 31.70 1 -4 0 1270.47 32.00 -1 4 0 1224.48 32.10 -1 4 0 1249.07 31.90 -1 4 0 1189.88 31.40 -1 4 0 1227.68 31.70 -1 4 0 1261.97 31.60 0 -4 0 5765.62 163.68 0 4 0 5885.61 165.78 -1 -4 0 1882.31 48.90 -1 -4 0 1864.21 48.40 -1 -4 0 1991.40 48.70 1 4 0 1978.50 48.30 1 4 0 1898.01 48.60 1 4 0 1883.31 48.70 1 4 0 1876.31 49.20 -2 -4 0 2.80 0.80 -2 -4 0 2.90 0.60 -2 -4 0 1.90 0.70 -2 -4 0 1.50 0.90 2 4 0 2.30 0.70 2 4 0 1.50 1.00 -3 -4 0 200.98 6.70 -3 -4 0 205.88 6.20 -3 -4 0 206.28 6.40 -3 -4 0 216.48 7.00 3 4 0 209.78 6.30 3 4 0 210.98 7.20 3 4 0 203.48 6.60 -4 -4 0 246.78 8.00 -4 -4 0 235.48 6.90 -4 -4 0 238.08 7.60 -4 -4 0 235.18 7.80 -4 -4 0 205.98 7.80 4 4 0 235.68 7.60 4 4 0 242.38 7.30 4 4 0 247.78 8.30 -5 -4 0 499.35 14.60 -5 -4 0 500.25 15.00 -5 -4 0 504.55 14.80 5 4 0 493.95 14.80 5 4 0 494.05 14.50 5 4 0 495.95 14.10 5 4 0 499.85 15.10 -6 -4 0 24.10 3.10 -6 -4 0 19.40 2.70 -6 -4 0 19.30 2.70 6 4 0 23.80 3.00 6 4 0 22.10 3.00 6 4 0 17.50 2.40 6 4 0 24.20 3.10 -7 -4 0 1.90 1.90 -7 -4 0 1.10 2.10 -7 -4 0 2.30 2.30 7 4 0 -0.20 2.20 -8 -4 0 11.80 3.10 8 4 0 13.60 2.90 8 4 0 10.90 3.00 -9 -4 0 21.10 4.20 9 4 0 18.50 4.00 8 -5 0 70.49 8.40 8 -5 0 73.59 6.40 -8 5 0 75.59 6.30 7 -5 0 97.19 5.20 7 -5 0 93.89 6.10 7 -5 0 93.69 5.30 -7 5 0 97.19 5.30 -7 5 0 95.59 6.10 6 -5 0 168.28 6.20 6 -5 0 169.18 7.50 6 -5 0 175.08 6.60 -6 5 0 179.48 5.80 -6 5 0 168.98 7.30 -6 5 0 173.88 6.60 -6 5 0 168.28 5.80 5 -5 0 524.85 14.50 5 -5 0 523.85 15.90 5 -5 0 519.05 15.20 5 -5 0 520.55 15.60 5 -5 0 534.45 16.50 -5 5 0 531.25 14.90 -5 5 0 526.35 14.80 -5 5 0 532.75 15.90 -5 5 0 533.95 15.00 4 -5 0 125.89 4.10 4 -5 0 125.29 5.40 4 -5 0 125.49 5.20 4 -5 0 124.79 4.80 -4 5 0 131.89 4.70 -4 5 0 123.39 5.20 -4 5 0 133.59 4.90 -4 5 0 129.99 4.60 3 -5 0 96.89 4.10 3 -5 0 90.39 3.70 3 -5 0 96.99 4.00 3 -5 0 93.99 2.90 -3 5 0 100.89 3.70 -3 5 0 92.19 3.90 -3 5 0 86.29 4.20 -3 5 0 92.79 3.90 2 -5 0 122.99 4.00 2 -5 0 128.09 4.40 2 -5 0 134.29 4.70 2 -5 0 133.29 4.70 -2 5 0 121.89 4.20 -2 5 0 128.09 4.70 -2 5 0 121.89 4.30 -2 5 0 127.59 4.70 -2 5 0 124.09 4.30 1 -5 0 921.91 24.20 1 -5 0 916.11 24.10 1 -5 0 930.51 24.50 1 -5 0 1008.00 24.50 -1 5 0 927.11 24.40 -1 5 0 879.51 23.60 -1 5 0 948.01 24.20 -1 5 0 888.01 24.50 -1 5 0 907.01 24.30 0 -5 0 386.36 10.70 0 -5 0 391.56 11.10 0 -5 0 401.46 11.00 0 5 0 368.66 10.90 0 5 0 383.76 11.10 0 5 0 392.86 11.30 -1 -5 0 22.70 1.70 -1 -5 0 23.00 2.00 -1 -5 0 22.50 1.60 -1 -5 0 21.80 1.90 1 5 0 22.90 1.90 1 5 0 22.10 2.30 1 5 0 23.00 1.50 1 5 0 23.10 2.10 -2 -5 0 35.00 2.00 -2 -5 0 35.20 1.50 -2 -5 0 33.40 2.00 2 5 0 33.80 1.90 2 5 0 37.10 2.50 2 5 0 35.30 2.20 -3 -5 0 387.96 11.00 -3 -5 0 395.56 11.90 -3 -5 0 388.46 11.60 -3 -5 0 385.16 11.00 -3 -5 0 385.76 10.90 3 5 0 398.16 12.20 3 5 0 374.36 11.40 3 5 0 401.16 11.00 3 5 0 411.86 11.90 -4 -5 0 895.11 24.90 -4 -5 0 901.21 23.60 -4 -5 0 892.01 24.70 -4 -5 0 883.71 24.00 -4 -5 0 907.21 23.60 4 5 0 919.01 25.20 4 5 0 923.61 23.90 4 5 0 884.31 24.40 -5 -5 0 40.90 3.50 -5 -5 0 40.50 3.00 -5 -5 0 38.10 2.10 -5 -5 0 40.10 3.30 5 5 0 40.60 3.70 5 5 0 40.30 3.20 5 5 0 42.90 3.60 5 5 0 40.50 2.90 -6 -5 0 192.18 8.00 -6 -5 0 208.98 8.00 -6 -5 0 195.28 7.40 6 5 0 199.48 7.20 6 5 0 192.88 7.50 6 5 0 199.38 8.30 6 5 0 180.58 8.00 -7 -5 0 28.60 3.90 -7 -5 0 28.70 4.40 -7 -5 0 33.60 4.20 7 5 0 41.60 4.20 7 5 0 41.90 4.70 -8 -5 0 11.90 3.20 -8 -5 0 15.70 3.60 8 5 0 20.80 3.40 8 5 0 18.80 3.60 -9 -5 0 632.64 19.70 9 5 0 567.94 20.60 8 -6 0 82.99 5.90 8 -6 0 95.49 7.00 -8 6 0 84.89 6.80 7 -6 0 94.89 5.50 7 -6 0 97.79 6.40 -7 6 0 100.19 5.50 -7 6 0 90.79 6.30 6 -6 0 328.57 10.20 6 -6 0 332.67 11.90 6 -6 0 342.57 11.10 -6 6 0 349.07 10.40 -6 6 0 363.76 11.20 -6 6 0 344.97 11.80 -6 6 0 342.17 10.90 5 -6 0 3.80 1.20 5 -6 0 5.40 1.70 5 -6 0 4.00 1.60 5 -6 0 -1.70 1.80 -5 6 0 3.70 1.50 -5 6 0 1.50 1.30 -5 6 0 3.40 1.90 -5 6 0 1.70 1.20 4 -6 0 440.46 13.20 4 -6 0 420.56 11.40 4 -6 0 421.56 12.50 4 -6 0 432.26 13.00 -4 6 0 416.56 13.60 -4 6 0 434.86 12.30 -4 6 0 429.66 12.90 -4 6 0 440.46 12.70 -4 6 0 416.66 12.30 3 -6 0 55.79 2.90 3 -6 0 53.59 3.30 3 -6 0 56.59 3.30 -3 6 0 53.99 2.40 -3 6 0 59.89 2.90 -3 6 0 53.99 3.40 -3 6 0 53.29 3.10 -3 6 0 58.39 3.00 2 -6 0 766.42 20.50 2 -6 0 750.62 20.40 2 -6 0 711.33 19.90 2 -6 0 759.82 19.70 -2 6 0 735.03 19.70 -2 6 0 752.82 19.90 -2 6 0 731.53 20.40 -2 6 0 747.03 20.50 -2 6 0 747.83 20.00 1 -6 0 581.84 16.20 1 -6 0 599.44 16.60 1 -6 0 617.64 16.70 1 -6 0 607.64 16.40 -1 6 0 599.14 16.50 -1 6 0 578.34 16.70 -1 6 0 571.64 15.60 -1 6 0 612.04 16.60 -1 6 0 630.04 16.30 0 -6 0 574.24 15.80 0 -6 0 552.14 15.40 0 -6 0 571.94 15.90 0 -6 0 587.04 15.90 0 6 0 570.64 16.10 0 6 0 563.34 15.60 0 6 0 577.44 15.30 0 6 0 555.64 15.90 -1 -6 0 2.20 1.00 -1 -6 0 1.10 0.90 -1 -6 0 0.70 1.00 -1 -6 0 4.20 0.90 1 6 0 2.00 1.00 1 6 0 1.70 0.90 1 6 0 1.90 1.00 -2 -6 0 104.99 4.60 -2 -6 0 102.19 3.10 -2 -6 0 104.59 4.10 -2 -6 0 108.19 4.00 2 6 0 97.69 4.20 2 6 0 102.39 4.80 2 6 0 109.59 3.90 2 6 0 104.49 4.30 -3 -6 0 1432.36 38.10 -3 -6 0 1498.65 38.30 -3 -6 0 1410.56 38.80 -3 -6 0 1479.85 39.30 3 6 0 1484.45 39.60 3 6 0 1508.35 38.90 3 6 0 1527.75 38.20 3 6 0 1474.65 38.90 -4 -6 0 562.44 15.60 -4 -6 0 554.64 16.80 -4 -6 0 573.54 15.60 -4 -6 0 556.94 15.40 -4 -6 0 550.04 16.40 4 6 0 573.94 16.70 4 6 0 566.94 17.20 4 6 0 561.14 16.40 4 6 0 577.84 15.70 -5 -6 0 10.80 2.30 -5 -6 0 9.10 1.80 -5 -6 0 9.20 1.30 -5 -6 0 13.90 2.30 -5 -6 0 8.90 1.40 5 6 0 8.10 2.40 5 6 0 11.20 2.10 5 6 0 13.40 1.90 -6 -6 0 47.10 3.60 -6 -6 0 40.20 3.80 6 6 0 43.90 3.90 6 6 0 51.19 4.70 6 6 0 39.70 4.00 -7 -6 0 32.50 3.80 -7 -6 0 30.70 3.90 7 6 0 26.40 3.40 7 6 0 29.10 4.00 -8 -6 0 260.97 11.20 -8 -6 0 264.47 10.40 8 6 0 256.37 11.20 -9 -6 0 175.28 8.80 -9 -6 0 158.98 10.10 9 6 0 158.68 9.50 8 -7 0 41.50 6.00 8 -7 0 39.10 5.30 -8 7 0 38.40 5.00 7 -7 0 11.50 2.90 7 -7 0 12.40 3.20 -7 7 0 16.40 2.90 -7 7 0 12.80 3.20 6 -7 0 150.38 6.40 6 -7 0 144.89 7.20 6 -7 0 150.78 5.50 -6 7 0 151.08 6.30 -6 7 0 162.58 6.20 -6 7 0 146.59 7.00 5 -7 0 6.40 1.70 5 -7 0 8.30 1.40 5 -7 0 5.70 1.90 -5 7 0 7.50 2.00 -5 7 0 5.20 1.70 -5 7 0 4.50 1.80 -5 7 0 7.40 1.80 4 -7 0 131.89 5.20 4 -7 0 116.49 5.80 4 -7 0 133.89 5.80 -4 7 0 127.59 5.50 -4 7 0 123.39 5.10 -4 7 0 128.09 5.40 -4 7 0 128.89 5.00 3 -7 0 57.59 3.60 3 -7 0 57.59 3.10 3 -7 0 61.39 3.80 -3 7 0 57.49 2.80 -3 7 0 57.09 3.80 -3 7 0 62.59 3.20 -3 7 0 56.79 3.50 -3 7 0 58.39 3.00 2 -7 0 606.74 16.90 2 -7 0 644.74 17.50 2 -7 0 602.14 17.00 2 -7 0 634.54 17.60 -2 7 0 606.54 17.60 -2 7 0 607.74 16.50 -2 7 0 601.14 17.40 -2 7 0 625.04 17.00 -2 7 0 623.34 17.10 1 -7 0 362.06 11.10 1 -7 0 378.16 11.20 1 -7 0 359.06 10.60 1 -7 0 377.76 10.90 -1 7 0 355.96 9.80 -1 7 0 372.36 10.60 -1 7 0 368.36 11.10 -1 7 0 363.26 11.30 -1 7 0 363.36 10.90 0 -7 0 6.20 1.30 0 -7 0 6.90 1.20 0 -7 0 7.30 1.50 0 -7 0 5.10 1.30 0 7 0 6.70 1.40 0 7 0 7.30 1.40 0 7 0 6.80 1.50 0 7 0 5.90 1.10 -1 -7 0 62.69 3.60 -1 -7 0 64.69 3.60 -1 -7 0 67.49 3.20 -1 -7 0 67.89 3.50 1 7 0 73.19 3.50 1 7 0 69.39 4.00 1 7 0 65.19 3.50 1 7 0 67.19 2.90 -2 -7 0 85.49 3.70 -2 -7 0 84.19 4.40 -2 -7 0 94.69 4.00 2 7 0 87.99 4.20 2 7 0 88.39 4.70 2 7 0 88.69 4.20 2 7 0 88.99 3.60 -3 -7 0 56.49 3.00 -3 -7 0 62.79 3.90 -3 -7 0 59.29 3.20 -3 -7 0 56.99 2.40 3 7 0 52.99 3.50 3 7 0 52.99 3.70 3 7 0 58.99 3.10 3 7 0 61.39 4.20 -4 -7 0 102.69 4.30 -4 -7 0 106.49 5.10 -4 -7 0 104.89 4.20 -4 -7 0 104.79 4.00 4 7 0 106.69 4.50 4 7 0 101.89 5.70 4 7 0 97.59 5.40 4 7 0 111.99 5.10 -5 -7 0 23.00 2.50 -5 -7 0 30.60 2.20 -5 -7 0 28.00 3.10 -5 -7 0 26.80 2.60 5 7 0 26.00 3.10 5 7 0 22.10 3.30 5 7 0 26.30 3.30 -6 -7 0 107.59 5.10 -6 -7 0 102.69 5.80 6 7 0 101.89 5.60 6 7 0 111.89 6.60 -7 -7 0 534.05 16.30 7 7 0 532.25 16.90 7 7 0 531.85 17.90 -8 -7 0 116.79 7.60 -8 -7 0 116.39 6.70 8 7 0 112.69 7.70 7 -8 0 63.89 6.20 7 -8 0 60.19 5.00 -7 8 0 67.89 5.80 -7 8 0 71.19 5.30 6 -8 0 6.40 2.50 6 -8 0 9.00 2.30 -6 8 0 7.50 2.20 -6 8 0 6.10 2.30 -6 8 0 6.30 2.50 5 -8 0 588.84 17.80 5 -8 0 562.04 16.80 -5 8 0 576.54 17.10 -5 8 0 558.74 16.60 -5 8 0 590.54 17.10 -5 8 0 566.84 16.50 4 -8 0 141.09 6.30 4 -8 0 133.29 5.50 -4 8 0 141.59 6.10 -4 8 0 133.99 5.60 -4 8 0 136.59 5.60 3 -8 0 528.25 15.80 3 -8 0 524.25 15.90 3 -8 0 526.65 15.20 -3 8 0 518.65 15.10 -3 8 0 526.55 14.80 -3 8 0 526.75 14.80 -3 8 0 540.85 15.90 2 -8 0 4.00 1.50 2 -8 0 3.30 1.20 2 -8 0 2.30 1.10 2 -8 0 3.30 1.60 -2 8 0 4.10 1.50 -2 8 0 2.90 1.10 -2 8 0 4.50 1.40 -2 8 0 1.60 1.50 -2 8 0 2.70 1.00 1 -8 0 1296.97 35.00 1 -8 0 1380.96 35.70 1 -8 0 1371.06 35.40 1 -8 0 1333.47 35.50 -1 8 0 1305.97 35.30 -1 8 0 1364.26 35.00 -1 8 0 1314.27 33.80 -1 8 0 1291.67 35.70 -1 8 0 1359.96 35.70 0 -8 0 633.44 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2.50 2.90 7 -5 8 5.40 2.70 6 4 -8 116.29 9.90 -6 -4 8 99.09 7.60 5 4 -8 241.58 12.00 5 4 -8 238.08 9.20 -5 -4 8 218.78 10.20 4 4 -8 61.59 4.60 4 4 -8 50.59 6.40 4 4 -8 53.49 4.70 4 4 -8 58.79 3.70 -4 -4 8 50.39 5.20 3 4 -8 5.90 2.80 3 4 -8 4.60 2.00 3 4 -8 2.40 1.70 3 4 -8 4.30 2.10 3 4 -8 4.70 2.70 -3 -4 8 4.70 1.90 2 4 -8 207.28 8.00 2 4 -8 210.18 9.40 2 4 -8 196.58 7.60 2 4 -8 215.48 7.10 2 4 -8 209.18 6.80 -2 -4 8 209.68 8.10 1 4 -8 25.70 2.80 1 4 -8 30.10 4.00 1 4 -8 29.30 2.90 1 4 -8 35.30 3.80 1 4 -8 27.90 3.50 1 4 -8 27.70 2.20 -1 -4 8 23.80 3.10 -1 -4 8 30.00 3.20 -1 -4 8 32.70 2.10 0 4 -8 329.07 11.30 0 4 -8 329.37 10.80 0 4 -8 314.87 9.90 0 4 -8 324.97 10.30 0 4 -8 318.77 11.90 0 -4 8 353.76 9.90 0 -4 8 351.66 10.50 0 -4 8 325.87 10.10 -1 4 -8 254.07 9.90 -1 4 -8 244.38 8.40 -1 4 -8 247.18 9.40 -1 4 -8 254.47 7.70 1 -4 8 264.77 8.00 1 -4 8 241.98 8.50 1 -4 8 249.28 7.70 1 -4 8 256.87 8.00 -2 4 -8 279.57 9.00 -2 4 -8 277.27 10.60 -2 4 -8 286.77 8.90 -2 4 -8 287.87 10.60 2 -4 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122.49 5.70 -2 -3 8 129.99 5.90 1 3 -8 173.08 5.90 1 3 -8 165.08 6.80 1 3 -8 169.18 6.10 1 3 -8 165.38 7.70 1 3 -8 166.28 5.20 1 3 -8 161.18 6.60 -1 -3 8 176.48 5.30 -1 -3 8 165.98 5.30 -1 -3 8 170.78 6.60 -1 -3 8 169.98 6.60 0 3 -8 20.60 2.30 0 3 -8 20.40 2.80 0 3 -8 25.90 3.10 0 3 -8 21.90 1.60 0 3 -8 23.60 3.40 0 -3 8 24.70 2.50 0 -3 8 20.10 2.00 0 -3 8 19.50 2.10 -1 3 -8 328.67 11.30 -1 3 -8 312.57 10.00 -1 3 -8 324.87 10.00 -1 3 -8 317.07 10.80 -1 3 -8 320.77 9.10 1 -3 8 309.47 9.10 1 -3 8 330.27 9.50 1 -3 8 324.67 9.50 1 -3 8 303.47 10.00 -2 3 -8 491.25 15.90 -2 3 -8 527.95 16.20 -2 3 -8 522.45 14.40 -2 3 -8 524.65 16.30 2 -3 8 507.85 15.30 2 -3 8 520.05 14.20 2 -3 8 516.95 14.10 2 -3 8 504.25 14.60 -3 3 -8 106.49 5.80 -3 3 -8 105.59 3.90 -3 3 -8 115.79 5.80 3 -3 8 109.59 4.50 3 -3 8 106.39 4.00 3 -3 8 115.19 4.90 -4 3 -8 68.39 4.70 -4 3 -8 69.59 4.90 4 -3 8 65.19 3.70 4 -3 8 63.19 3.80 -5 3 -8 60.39 4.70 -5 3 -8 52.59 5.20 5 -3 8 59.59 4.20 5 -3 8 68.79 4.10 -6 3 -8 97.59 6.60 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15 15 5.60 3.40 2 15 15 6.10 2.70 -3 -15 -15 124.59 8.30 3 15 15 130.29 7.20 3 15 15 132.49 8.10 -4 -15 -15 8.40 3.90 4 15 15 5.10 3.20 4 15 15 9.20 3.70 -1 -16 -15 15.60 4.20 1 16 15 7.30 3.30 1 16 15 5.70 3.70 -2 -16 -15 220.98 10.90 2 16 15 224.28 10.60 2 16 15 201.78 9.10 -3 -16 -15 6.90 4.10 3 16 15 9.10 3.90 3 16 15 7.80 3.20 0 1 -16 9.90 4.80 0 1 -16 5.20 4.30 0 -1 16 8.40 4.00 0 -1 16 2.60 3.40 -1 1 -16 1.30 4.20 -1 1 -16 14.30 5.30 1 -1 16 9.60 3.60 1 -1 16 4.70 4.10 -2 1 -16 298.77 14.20 -2 1 -16 283.77 13.10 2 -1 16 287.77 11.30 1 0 -16 27.70 5.20 1 0 -16 22.40 5.50 -1 0 16 18.90 3.90 -1 0 16 19.70 4.20 0 0 -16 27.60 5.30 0 0 -16 26.00 4.70 0 0 16 26.60 4.20 -1 0 -16 105.59 9.30 -1 0 -16 99.99 7.80 1 0 16 107.29 6.10 1 0 16 87.19 6.60 -2 0 -16 159.18 10.50 -2 0 -16 169.78 9.80 2 0 16 172.78 6.60 2 0 16 180.38 8.30 -3 0 -16 26.00 5.00 -3 0 -16 12.50 4.70 3 0 16 18.00 3.00 3 0 16 19.30 3.70 -4 0 -16 15.80 4.90 2 -1 -16 5.50 5.00 -2 1 16 6.00 3.70 -2 1 16 -0.80 4.00 1 -1 -16 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-2 -3 -16 411.96 14.90 2 3 16 420.96 12.20 2 3 16 402.96 13.60 -3 -3 -16 62.69 6.70 3 3 16 71.49 5.60 -4 -3 -16 2.40 3.30 4 3 16 -0.70 2.30 4 3 16 -0.30 2.90 -5 -3 -16 66.99 7.70 5 3 16 74.99 5.80 3 -4 -16 35.50 6.10 -3 4 16 44.30 5.80 2 -4 -16 1.50 3.50 2 -4 -16 1.90 4.20 -2 4 16 5.70 3.30 1 -4 -16 212.18 9.10 -1 4 16 224.18 9.70 0 -4 -16 43.60 5.40 0 4 16 52.19 5.20 1 4 16 24.10 3.50 -2 -4 -16 208.98 9.90 2 4 16 228.98 9.00 2 4 16 220.98 7.50 -3 -4 -16 -2.30 3.20 3 4 16 -2.50 1.90 3 4 16 3.10 2.80 -4 -4 -16 2.90 3.20 4 4 16 -0.70 2.30 4 4 16 2.70 2.90 -5 -4 -16 63.09 7.40 5 4 16 69.29 5.60 3 -5 -16 117.59 9.70 -3 5 16 114.59 8.50 2 -5 -16 5.10 3.00 -2 5 16 2.30 3.30 1 -5 -16 29.90 3.80 -1 5 16 29.50 4.10 0 -5 -16 5.50 2.90 0 5 16 4.80 2.60 -1 -5 -16 180.68 8.80 1 5 16 165.08 7.70 -2 -5 -16 15.60 3.60 2 5 16 16.90 2.30 2 5 16 17.80 3.10 -3 -5 -16 84.49 6.90 3 5 16 88.69 6.00 3 5 16 79.19 4.90 -4 -5 -16 8.40 3.50 4 5 16 0.60 2.20 -5 -5 -16 586.54 19.90 5 5 16 575.84 18.00 -6 -5 -16 241.78 12.30 6 5 16 239.48 10.30 3 -6 -16 29.10 5.70 -3 6 16 31.90 4.90 2 -6 -16 75.99 5.80 -2 6 16 69.59 6.70 -2 6 16 64.79 6.20 1 -6 -16 357.26 12.30 -1 6 16 352.06 12.80 -1 6 16 348.77 13.40 0 -6 -16 126.89 6.90 0 6 16 121.39 7.20 0 6 16 108.49 6.40 -1 -6 -16 58.29 5.70 1 6 16 60.99 5.00 1 6 16 65.39 5.30 -2 -6 -16 -3.80 2.60 2 6 16 0.90 1.70 2 6 16 -1.70 2.20 2 6 16 2.90 2.50 -3 -6 -16 62.09 6.20 3 6 16 61.69 4.30 3 6 16 66.19 5.20 -4 -6 -16 20.60 3.70 4 6 16 26.20 3.30 -5 -6 -16 -1.30 3.20 5 6 16 4.10 2.50 -6 -6 -16 5.10 4.10 6 6 16 12.10 3.30 -3 7 16 0.60 3.70 -3 7 16 0.50 3.60 2 -7 -16 178.38 7.90 -2 7 16 191.18 9.60 -2 7 16 166.38 8.80 1 -7 -16 20.00 3.40 -1 7 16 19.70 3.50 -1 7 16 23.10 4.20 0 -7 -16 12.70 3.00 0 7 16 6.70 2.90 0 7 16 13.30 3.00 -1 -7 -16 43.30 5.40 1 7 16 46.40 4.90 1 7 16 50.59 4.80 -2 -7 -16 288.87 11.90 2 7 16 309.47 9.80 2 7 16 327.27 11.20 2 7 16 315.57 11.40 -3 -7 -16 176.48 9.10 3 7 16 194.28 7.80 3 7 16 183.48 7.30 -4 -7 -16 43.50 5.90 4 7 16 45.50 4.40 -5 -7 -16 24.00 4.70 5 7 16 29.20 3.60 -6 -7 -16 104.19 8.60 6 7 16 91.29 6.60 -3 8 16 49.90 6.90 -3 8 16 47.40 5.80 2 -8 -16 6.80 3.00 -2 8 16 6.70 3.40 -2 8 16 5.60 3.60 1 -8 -16 214.08 9.00 -1 8 16 210.78 10.10 -1 8 16 230.18 9.50 0 -8 -16 30.50 3.80 0 8 16 37.20 4.50 0 8 16 31.90 4.20 -1 -8 -16 47.80 5.50 1 8 16 64.99 5.40 1 8 16 59.59 5.10 -2 -8 -16 82.79 6.40 2 8 16 96.59 5.70 2 8 16 91.29 4.60 2 8 16 98.89 6.10 -3 -8 -16 21.90 4.00 3 8 16 23.50 3.20 3 8 16 22.70 2.90 -4 -8 -16 129.99 8.10 4 8 16 135.09 6.20 4 8 16 123.19 6.40 -5 -8 -16 12.20 4.00 5 8 16 21.10 3.30 -6 -8 -16 0.30 3.80 6 8 16 -0.70 2.80 -3 9 16 202.48 10.30 -3 9 16 186.28 10.60 2 -9 -16 96.19 6.50 -2 9 16 112.89 7.60 -2 9 16 104.19 7.20 1 -9 -16 -0.40 2.90 -1 9 16 4.40 2.90 -1 9 16 -1.10 2.80 0 -9 -16 17.80 3.50 0 9 16 15.90 3.20 0 9 16 16.60 3.60 -1 -9 -16 265.27 15.20 1 9 16 268.37 12.90 1 9 16 288.77 10.70 1 9 16 300.77 8.30 -2 -9 -16 21.70 3.70 2 9 16 23.60 3.40 2 9 16 29.40 3.70 2 9 16 34.10 3.30 -3 -9 -16 7.60 3.20 3 9 16 5.60 2.40 3 9 16 6.60 2.20 -4 -9 -16 34.80 4.80 4 9 16 42.40 4.30 4 9 16 29.20 4.10 -5 -9 -16 303.67 12.90 5 9 16 295.07 11.10 -6 -9 -16 439.86 17.00 6 9 16 447.96 15.40 2 -10 -16 125.89 7.30 -2 10 16 132.99 8.00 -2 10 16 127.39 8.20 1 -10 -16 116.59 7.20 -1 10 16 132.59 7.90 -1 10 16 126.49 7.30 0 -10 -16 231.98 9.70 0 10 16 233.28 10.00 0 10 16 220.48 9.30 -1 -10 -16 21.50 4.30 1 10 16 24.90 3.50 1 10 16 22.20 2.60 1 10 16 18.20 3.40 -2 -10 -16 65.49 6.20 2 10 16 64.59 5.30 2 10 16 54.49 3.90 2 10 16 51.79 5.10 -3 -10 -16 145.49 8.20 3 10 16 147.79 6.70 3 10 16 152.78 7.10 -4 -10 -16 12.40 3.80 4 10 16 25.60 3.30 4 10 16 25.20 3.30 -5 -10 -16 76.89 7.50 5 10 16 80.19 5.90 -6 -10 -16 4.20 4.10 6 10 16 6.90 3.30 2 -11 -16 29.40 4.30 -2 11 16 36.40 4.80 -2 11 16 40.70 5.30 1 -11 -16 71.99 6.50 -1 11 16 84.99 6.70 -1 11 16 76.29 6.20 0 11 16 2.00 2.70 0 11 16 2.40 2.70 -1 -11 -16 146.89 8.10 1 11 16 144.29 7.90 1 11 16 160.28 5.90 1 11 16 158.18 7.70 -2 -11 -16 165.08 8.80 2 11 16 183.68 6.80 2 11 16 177.98 8.30 -3 -11 -16 73.59 6.80 3 11 16 83.99 5.70 3 11 16 73.19 6.10 -4 -11 -16 49.10 6.20 4 11 16 37.50 4.10 4 11 16 38.90 4.60 -5 -11 -16 2.30 3.60 5 11 16 0.90 2.70 -2 12 16 1.80 3.60 -2 12 16 2.10 3.40 1 -12 -16 166.58 9.70 -1 12 16 169.98 8.50 -1 12 16 175.58 9.20 0 -12 -16 136.39 7.90 0 12 16 137.09 7.30 0 12 16 134.99 7.80 -1 -12 -16 205.48 9.90 1 12 16 218.28 9.30 1 12 16 229.48 9.70 -2 -12 -16 10.50 3.60 2 12 16 16.10 2.50 2 12 16 9.40 3.10 -3 -12 -16 169.08 9.10 3 12 16 174.08 8.20 3 12 16 175.18 7.60 -4 -12 -16 74.19 7.10 4 12 16 81.29 5.90 4 12 16 74.19 5.60 -5 -12 -16 132.69 9.20 5 12 16 148.99 7.80 1 -13 -16 114.29 8.20 -1 13 16 128.99 8.50 -1 13 16 139.99 7.80 0 -13 -16 204.58 10.00 0 13 16 203.48 9.20 0 13 16 215.58 10.00 -1 -13 -16 108.49 7.50 1 13 16 91.49 6.40 1 13 16 87.39 6.70 -2 -13 -16 183.68 9.40 2 13 16 162.88 8.60 2 13 16 178.88 7.20 -3 -13 -16 248.68 11.10 3 13 16 240.28 9.40 3 13 16 235.98 10.00 -4 -13 -16 77.89 7.40 4 13 16 89.69 6.10 4 13 16 58.49 6.10 -5 -13 -16 140.89 9.60 5 13 16 148.19 8.20 0 -14 -16 121.09 8.30 0 14 16 123.99 8.20 0 14 16 135.79 7.50 -1 -14 -16 12.60 4.00 1 14 16 13.80 3.70 1 14 16 12.00 3.30 -2 -14 -16 176.38 9.50 2 14 16 166.08 8.70 -3 -14 -16 214.98 10.50 3 14 16 189.88 9.30 3 14 16 193.68 8.60 -4 -14 -16 59.49 7.30 4 14 16 57.99 5.90 4 14 16 61.59 6.40 -1 -15 -16 95.29 8.30 1 15 16 97.29 7.60 1 15 16 109.29 7.10 -2 -15 -16 44.30 5.70 2 15 16 51.99 6.50 2 15 16 51.09 5.00 -3 -15 -16 280.07 12.50 3 15 16 256.97 11.40 3 15 16 272.57 10.60 -1 -1 -17 23.10 5.00 -1 -1 -17 28.30 6.00 1 1 17 27.70 4.40 -2 -1 -17 2.60 4.20 2 1 17 -0.10 3.30 0 -2 -17 9.30 4.90 0 -2 -17 11.30 4.30 0 2 17 6.70 3.50 -1 -2 -17 85.49 7.70 1 2 17 91.59 6.70 -2 -2 -17 4.50 3.90 2 2 17 5.50 3.30 -3 -2 -17 173.38 10.20 3 2 17 186.58 7.50 3 2 17 188.58 8.70 1 -3 -17 78.49 9.00 1 -3 -17 67.59 8.20 -1 3 17 88.49 7.10 0 -3 -17 7.30 3.90 0 3 17 -1.70 3.10 -1 -3 -17 4.40 3.60 1 3 17 5.00 3.20 -2 -3 -17 309.67 12.60 2 3 17 299.37 11.50 -3 -3 -17 43.30 5.50 3 3 17 50.09 4.60 3 3 17 49.80 5.60 -4 -3 -17 1.40 4.10 4 3 17 -1.70 2.50 4 3 17 3.30 3.40 1 -4 -17 17.90 4.30 -1 4 17 20.70 4.00 0 -4 -17 1.10 3.60 0 4 17 3.40 3.00 -1 -4 -17 66.59 6.80 1 4 17 64.29 5.90 -2 -4 -17 198.38 10.00 2 4 17 195.08 8.80 2 4 17 200.68 7.80 -3 -4 -17 -1.10 3.60 3 4 17 2.00 2.60 3 4 17 -0.30 3.10 -4 -4 -17 17.60 4.30 4 4 17 12.00 2.80 4 4 17 10.20 3.60 -2 5 17 38.40 5.00 1 -5 -17 0.20 3.40 -1 5 17 6.20 3.50 0 -5 -17 34.90 5.90 0 5 17 39.50 5.40 -1 -5 -17 43.80 5.10 1 5 17 41.50 5.10 -2 -5 -17 37.40 4.90 2 5 17 34.30 3.40 2 5 17 39.40 4.90 -3 -5 -17 2.90 3.50 3 5 17 8.90 3.10 -4 -5 -17 10.70 4.10 4 5 17 15.40 3.80 4 5 17 16.50 3.10 -5 -5 -17 637.14 21.90 5 5 17 636.44 19.60 -2 6 17 139.79 8.70 1 -6 -17 487.15 16.30 -1 6 17 503.05 16.90 0 6 17 53.09 5.50 -1 -6 -17 33.90 4.70 1 6 17 35.40 4.10 -2 -6 -17 3.30 3.30 2 6 17 0.60 1.90 2 6 17 -3.30 2.60 -3 -6 -17 -1.40 3.20 3 6 17 5.10 2.80 3 6 17 2.40 2.40 -4 -6 -17 14.20 4.30 4 6 17 9.30 2.80 -5 -6 -17 6.70 4.20 5 6 17 -3.60 2.70 -2 7 17 97.09 7.90 -2 7 17 101.79 8.30 1 -7 -17 84.69 6.90 -1 7 17 99.69 7.00 -1 7 17 89.59 7.40 0 -7 -17 -1.50 4.10 0 7 17 -1.80 3.20 0 7 17 4.00 2.80 -1 -7 -17 50.69 6.30 1 7 17 44.00 5.70 1 7 17 46.60 5.10 -2 -7 -17 151.08 8.80 2 7 17 155.58 7.90 2 7 17 158.98 7.90 2 7 17 165.48 6.20 -3 -7 -17 84.69 7.30 3 7 17 71.89 5.00 3 7 17 90.09 6.40 -4 -7 -17 -0.80 3.60 4 7 17 4.90 2.50 -5 -7 -17 0.90 3.90 5 7 17 3.60 3.00 -2 8 17 -4.60 3.60 -2 8 17 0.20 3.80 1 -8 -17 61.49 6.40 -1 8 17 67.09 6.40 -1 8 17 58.19 6.50 0 8 17 5.60 2.90 0 8 17 4.90 3.20 -1 -8 -17 36.70 4.80 1 8 17 41.10 4.90 1 8 17 43.40 5.10 -2 -8 -17 171.28 9.20 2 8 17 183.18 6.60 2 8 17 170.48 8.30 2 8 17 180.48 8.40 -3 -8 -17 6.00 3.50 3 8 17 12.80 3.40 3 8 17 8.80 2.50 3 8 17 2.00 2.90 -4 -8 -17 0.60 3.50 4 8 17 4.00 2.60 -5 -8 -17 41.60 5.70 5 8 17 55.89 5.40 -2 9 17 125.49 9.00 -2 9 17 127.49 8.40 1 -9 -17 -2.80 3.30 -1 9 17 4.00 3.60 0 -9 -17 10.90 4.20 0 9 17 16.50 3.30 0 9 17 14.30 3.80 -1 -9 -17 251.87 10.80 1 9 17 241.98 10.10 1 9 17 247.28 10.40 -2 -9 -17 133.59 8.30 2 9 17 132.49 5.60 2 9 17 129.29 7.50 -3 -9 -17 90.49 7.30 3 9 17 89.79 6.20 -4 -9 -17 2.90 3.70 4 9 17 4.70 2.60 -5 -9 -17 422.26 16.50 5 9 17 419.26 14.40 1 -10 -17 34.50 8.20 -1 10 17 36.40 4.70 -1 10 17 33.30 4.90 0 -10 -17 466.35 16.00 0 10 17 471.05 16.40 0 10 17 464.25 15.60 -1 -10 -17 1.00 3.40 1 10 17 -2.80 2.50 1 10 17 4.00 3.20 -2 -10 -17 9.40 3.60 2 10 17 1.50 2.00 2 10 17 3.50 3.00 2 10 17 7.00 3.20 -3 -10 -17 16.70 3.80 3 10 17 14.50 3.50 3 10 17 18.10 3.70 -4 -10 -17 64.99 7.30 4 10 17 70.89 5.60 4 10 17 82.69 5.50 -5 -10 -17 58.59 7.90 5 10 17 45.80 5.50 1 -11 -17 0.50 3.70 -1 11 17 5.10 3.20 -1 11 17 4.60 3.80 0 -11 -17 -4.10 3.30 0 11 17 1.60 3.30 0 11 17 5.30 3.00 -1 -11 -17 65.79 7.00 1 11 17 60.69 6.10 1 11 17 73.39 6.00 -2 -11 -17 87.49 7.40 2 11 17 90.09 4.70 2 11 17 92.39 6.50 2 11 17 80.29 6.50 -3 -11 -17 26.00 4.50 3 11 17 33.70 5.00 3 11 17 30.80 4.10 -4 -11 -17 95.99 8.00 4 11 17 105.19 6.60 4 11 17 95.79 6.00 1 -12 -17 76.19 7.60 -1 12 17 64.39 7.40 -1 12 17 66.69 6.50 0 -12 -17 -2.00 3.60 0 12 17 12.40 3.60 0 12 17 7.40 3.60 -1 -12 -17 187.38 9.90 1 12 17 207.48 9.70 1 12 17 197.88 9.10 -2 -12 -17 37.70 5.30 2 12 17 44.30 3.80 2 12 17 35.40 4.70 2 12 17 34.50 4.50 -3 -12 -17 53.39 7.00 3 12 17 49.40 5.90 3 12 17 42.00 4.60 -4 -12 -17 5.70 3.90 4 12 17 7.80 2.80 0 -13 -17 99.59 8.00 0 13 17 91.59 6.90 0 13 17 90.59 7.80 -1 -13 -17 51.69 7.20 1 13 17 47.00 6.20 1 13 17 55.09 6.00 -2 -13 -17 -4.20 3.60 2 13 17 4.20 3.40 2 13 17 8.50 3.20 2 13 17 0.50 2.70 -3 -13 -17 197.48 10.70 3 13 17 212.58 8.50 3 13 17 202.78 9.50 -1 -14 -17 3.30 4.10 1 14 17 6.20 3.50 -2 -14 -17 125.19 9.20 2 14 17 134.59 8.10 2 14 17 132.29 8.20 -1 -4 -18 52.59 6.20 1 4 18 61.49 6.60 -2 -4 -18 24.00 5.00 2 4 18 32.80 4.60 0 -5 -18 106.39 8.70 0 5 18 117.59 8.00 -1 -5 -18 10.10 4.40 1 5 18 12.30 3.50 -2 -5 -18 28.40 5.10 2 5 18 33.20 4.50 -3 -5 -18 131.99 9.50 3 5 18 119.69 7.80 3 5 18 139.09 6.70 0 -6 -18 13.20 4.30 0 6 18 14.70 4.00 -1 -6 -18 166.38 9.60 1 6 18 146.19 8.20 -2 -6 -18 35.90 5.30 2 6 18 29.00 4.20 -3 -6 -18 131.89 9.10 3 6 18 115.29 7.80 3 6 18 112.49 6.90 0 -7 -18 4.10 4.10 0 7 18 5.60 3.30 -1 -7 -18 7.30 4.20 1 7 18 13.20 3.70 -2 -7 -18 81.29 7.80 2 7 18 83.69 6.60 -3 -7 -18 -2.10 3.70 3 7 18 5.70 3.60 -4 -7 -18 6.90 4.50 0 -8 -18 33.60 4.90 0 8 18 27.10 5.00 0 8 18 30.40 4.60 -1 -8 -18 191.98 10.20 1 8 18 200.28 10.00 1 8 18 194.38 9.20 -2 -8 -18 73.79 7.70 2 8 18 71.29 6.90 2 8 18 63.69 6.40 -3 -8 -18 10.80 4.10 3 8 18 14.70 3.80 3 8 18 11.90 3.90 3 8 18 8.20 4.60 -4 -8 -18 22.00 5.10 0 -9 -18 35.90 5.20 0 9 18 42.10 5.60 0 9 18 43.70 5.00 -1 -9 -18 161.18 9.50 1 9 18 172.78 9.20 1 9 18 163.68 8.60 -2 -9 -18 312.47 13.30 2 9 18 335.27 12.70 2 9 18 327.37 12.40 -3 -9 -18 42.90 5.70 3 9 18 39.80 5.10 3 9 18 41.90 4.40 3 9 18 50.39 6.20 -4 -9 -18 31.40 5.50 0 -10 -18 254.37 11.60 0 10 18 279.57 12.00 0 10 18 252.77 11.10 -1 -10 -18 10.80 4.30 1 10 18 17.60 3.80 1 10 18 13.60 4.00 -2 -10 -18 47.80 5.90 2 10 18 46.20 6.40 2 10 18 59.89 6.20 -3 -10 -18 2.20 3.70 3 10 18 1.60 3.40 3 10 18 2.20 3.70 3 10 18 3.00 2.70 -1 -11 -18 0.20 3.90 1 11 18 11.60 3.70 1 11 18 7.50 4.10 -2 -11 -18 16.70 4.40 2 11 18 22.10 4.10 2 11 18 22.50 4.40 -3 -11 -18 36.30 5.40 3 11 18 28.70 4.60 3 11 18 35.00 5.00 3 11 18 33.80 4.60 -2 -12 -18 26.00 5.00 2 12 18 26.10 4.60 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 85300 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Cu1 Cu 0.70337(2) 0.23602(2) 0.04743(2) 0.00681(4) Uani 1 1 d . . . . . Cu2 Cu 0.500000 1.000000 0.000000 0.00783(5) Uani 1 2 d S . P . . Cl1 Cl 0.73533(5) 1.02694(2) 0.08966(3) 0.01024(6) Uani 1 1 d . . . . . Cl3 Cl 0.38851(4) 0.24762(3) 0.14699(3) 0.00991(6) Uani 1 1 d . . . . . Cl2 Cl 1.00158(4) 0.29897(3) -0.06401(3) 0.01135(6) Uani 1 1 d . . . . . S1 S 0.46736(5) 0.48851(3) 0.17221(3) 0.00901(6) Uani 1 1 d . . . . . S2 S 0.92924(5) 0.42412(3) 0.16244(3) 0.01016(6) Uani 1 1 d . . . . . N8 N 0.82253(16) 0.21056(9) 0.19048(9) 0.0096(2) Uani 1 1 d . . . . . N4 N 0.42849(16) 0.72248(9) 0.09727(9) 0.00791(19) Uani 1 1 d . . . . . N3 N 0.47253(16) 0.80035(9) 0.13158(9) 0.00911(19) Uani 1 1 d . . . . . N1 N 0.56910(16) 0.63672(9) 0.25252(9) 0.00826(19) Uani 1 1 d . . . . . N5 N 0.96086(17) 0.20952(10) 0.32809(9) 0.0106(2) Uani 1 1 d . . . . . N7 N 0.84113(18) 0.10118(10) 0.27364(10) 0.0132(2) Uani 1 1 d . . . . . N2 N 0.55742(17) 0.74942(9) 0.22522(9) 0.0098(2) Uani 1 1 d . . . . . N6 N 0.92656(18) 0.09988(10) 0.35564(10) 0.0139(2) Uani 1 1 d . . . . . C11 C 0.49005(18) 0.61996(10) 0.17372(11) 0.0078(2) Uani 1 1 d . . . . . C1 C 0.71114(19) 0.48071(11) 0.08640(11) 0.0095(2) Uani 1 1 d . . . . . H1A H 0.698740 0.432931 0.046158 0.011 Uiso 1 1 calc R U . . . H1B H 0.738123 0.558914 0.026334 0.011 Uiso 1 1 calc R U . . . C21 C 0.89685(18) 0.27770(11) 0.22596(11) 0.0088(2) Uani 1 1 d . . . . . N41 N 0.1657(2) 0.61312(14) 0.40822(13) 0.0307(3) Uani 1 1 d . . . . . C42 C 0.0903(2) 0.69956(14) 0.35340(13) 0.0181(3) Uani 1 1 d . . . . . C12 C 0.6586(2) 0.55455(11) 0.35488(11) 0.0131(2) Uani 1 1 d . . . . . H12A H 0.806517 0.549467 0.335776 0.020 Uiso 1 1 calc R U . . . H12B H 0.606907 0.479002 0.380488 0.020 Uiso 1 1 calc R U . . . H12C H 0.622112 0.580183 0.416858 0.020 Uiso 1 1 calc R U . . . C41 C -0.0060(2) 0.80955(13) 0.28292(13) 0.0197(3) Uani 1 1 d . . . . . H41A H -0.005998 0.814755 0.205393 0.030 Uiso 1 1 calc R U . . . H41B H 0.069207 0.871659 0.277484 0.030 Uiso 1 1 calc R U . . . H41C H -0.146046 0.816306 0.318445 0.030 Uiso 1 1 calc R U . . . N31 N 0.5169(3) 0.25889(14) 0.47422(14) 0.0357(4) Uani 1 1 d . . . . . C22 C 1.0606(2) 0.23912(13) 0.40139(12) 0.0171(3) Uani 1 1 d . . . . . H22A H 1.076093 0.171223 0.473863 0.026 Uiso 1 1 calc R U . . . H22B H 0.978073 0.299688 0.418116 0.026 Uiso 1 1 calc R U . . . H22C H 1.194499 0.266319 0.361430 0.026 Uiso 1 1 calc R U . . . C32 C 0.5485(2) 0.16873(14) 0.54134(13) 0.0206(3) Uani 1 1 d . . . . . C31 C 0.5902(3) 0.05339(15) 0.62807(16) 0.0312(4) Uani 1 1 d . . . . . H31A H 0.727495 0.025082 0.607574 0.047 Uiso 1 1 calc R U . . . H31B H 0.491610 0.002607 0.631401 0.047 Uiso 1 1 calc R U . . . H31C H 0.579550 0.054834 0.703650 0.047 Uiso 1 1 calc R U . . . O1 O 0.27111(14) 1.05423(8) 0.09185(8) 0.01154(18) Uani 1 1 d . . . . . H1C H 0.166241 1.083537 0.052773 0.017 Uiso 1 1 d R U . . . H1D H 0.306511 1.112979 0.100562 0.017 Uiso 1 1 d R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cu1 0.00665(7) 0.00673(7) 0.00781(7) -0.00333(5) -0.00232(5) -0.00024(5) Cu2 0.00828(10) 0.00688(9) 0.01011(10) -0.00485(8) -0.00255(8) -0.00009(7) Cl1 0.01212(13) 0.00700(12) 0.01351(13) -0.00500(10) -0.00591(10) 0.00109(10) Cl3 0.00842(13) 0.01075(13) 0.01187(13) -0.00639(11) -0.00086(10) 0.00009(10) Cl2 0.00873(13) 0.01356(14) 0.01236(13) -0.00579(11) -0.00044(10) -0.00295(10) S1 0.00852(13) 0.00634(13) 0.01264(14) -0.00409(11) -0.00198(11) -0.00107(10) S2 0.00839(13) 0.00948(13) 0.01430(14) -0.00604(11) -0.00313(11) -0.00038(10) N8 0.0103(5) 0.0087(5) 0.0098(5) -0.0032(4) -0.0033(4) -0.0002(4) N4 0.0081(5) 0.0072(4) 0.0094(5) -0.0043(4) -0.0015(4) -0.0005(4) N3 0.0102(5) 0.0081(5) 0.0105(5) -0.0048(4) -0.0027(4) -0.0007(4) N1 0.0094(5) 0.0073(5) 0.0079(5) -0.0029(4) -0.0014(4) -0.0010(4) N5 0.0107(5) 0.0124(5) 0.0093(5) -0.0049(4) -0.0029(4) 0.0002(4) N7 0.0166(5) 0.0101(5) 0.0113(5) -0.0021(4) -0.0052(4) 0.0000(4) N2 0.0123(5) 0.0078(5) 0.0101(5) -0.0041(4) -0.0021(4) -0.0009(4) N6 0.0169(6) 0.0122(5) 0.0124(5) -0.0037(4) -0.0053(4) -0.0010(4) C11 0.0065(5) 0.0081(5) 0.0092(5) -0.0042(4) -0.0003(4) -0.0007(4) C1 0.0104(5) 0.0086(5) 0.0106(5) -0.0049(4) -0.0024(4) 0.0011(4) C21 0.0056(5) 0.0116(5) 0.0094(5) -0.0049(4) -0.0013(4) 0.0007(4) N41 0.0198(7) 0.0328(8) 0.0266(7) -0.0019(6) -0.0023(6) 0.0016(6) C42 0.0123(6) 0.0259(7) 0.0163(6) -0.0088(6) -0.0009(5) -0.0033(5) C12 0.0173(6) 0.0112(6) 0.0097(6) -0.0022(5) -0.0069(5) 0.0012(5) C41 0.0193(7) 0.0204(7) 0.0217(7) -0.0107(6) -0.0059(6) 0.0015(5) N31 0.0402(9) 0.0278(8) 0.0322(8) -0.0037(7) -0.0112(7) -0.0034(7) C22 0.0189(7) 0.0237(7) 0.0131(6) -0.0097(5) -0.0073(5) -0.0016(5) C32 0.0158(7) 0.0266(8) 0.0183(7) -0.0075(6) -0.0024(5) -0.0051(6) C31 0.0244(8) 0.0276(9) 0.0255(8) 0.0018(7) -0.0010(7) 0.0002(7) O1 0.0104(4) 0.0120(4) 0.0149(4) -0.0080(4) -0.0027(3) 0.0001(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' 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Cl3 Cu1 Cl1 100.253(12) . 1_545 ? Cl2 Cu1 Cl1 102.660(12) . 1_545 ? Cl2 Cu1 Cl3 157.082(13) . . ? N8 Cu1 Cl1 93.94(3) . 1_545 ? N8 Cu1 Cl3 87.76(3) . . ? N8 Cu1 Cl2 90.23(3) . . ? N8 Cu1 N4 174.19(4) . 2_665 ? N4 Cu1 Cl1 91.57(3) 2_665 1_545 ? N4 Cu1 Cl3 89.45(3) 2_665 . ? N4 Cu1 Cl2 90.35(3) 2_665 . ? Cl1 Cu2 Cl1 180.000(14) 2_675 . ? Cl1 Cu2 N3 94.02(3) 2_675 2_675 ? Cl1 Cu2 N3 85.98(3) 2_675 . ? Cl1 Cu2 N3 85.98(3) . 2_675 ? Cl1 Cu2 N3 94.02(3) . . ? N3 Cu2 N3 180.0 2_675 . ? O1 Cu2 Cl1 88.06(3) 2_675 . ? O1 Cu2 Cl1 88.06(3) . 2_675 ? O1 Cu2 Cl1 91.94(3) . . ? O1 Cu2 Cl1 91.94(3) 2_675 2_675 ? O1 Cu2 N3 86.20(4) . 2_675 ? O1 Cu2 N3 93.80(4) . . ? O1 Cu2 N3 93.80(4) 2_675 2_675 ? O1 Cu2 N3 86.20(4) 2_675 . ? O1 Cu2 O1 180.00(5) . 2_675 ? Cu2 Cl1 Cu1 106.772(12) . 1_565 ? C11 S1 C1 97.66(6) . . ? C21 S2 C1 101.58(6) . . ? N7 N8 Cu1 118.08(8) . . ? C21 N8 Cu1 135.06(9) . . ? C21 N8 N7 106.84(10) . . ? N3 N4 Cu1 124.09(8) . 2_665 ? C11 N4 Cu1 129.40(9) . 2_665 ? C11 N4 N3 106.50(10) . . ? N4 N3 Cu2 121.75(8) . . ? N2 N3 Cu2 124.31(8) . . ? N2 N3 N4 110.45(10) . . ? N2 N1 C11 109.15(10) . . ? N2 N1 C12 120.30(10) . . ? C11 N1 C12 130.56(11) . . ? N6 N5 C22 121.64(11) . . ? C21 N5 N6 108.93(11) . . ? C21 N5 C22 129.38(12) . . ? N6 N7 N8 109.99(11) . . ? N3 N2 N1 106.54(10) . . ? N7 N6 N5 107.06(10) . . ? N4 C11 S1 125.96(10) . . ? N4 C11 N1 107.36(10) . . ? N1 C11 S1 126.67(9) . . ? S1 C1 H1A 108.0 . . ? S1 C1 H1B 108.0 . . ? S2 C1 S1 117.08(7) . . ? S2 C1 H1A 108.0 . . ? S2 C1 H1B 108.0 . . ? H1A C1 H1B 107.3 . . ? N8 C21 S2 132.15(10) . . ? N8 C21 N5 107.17(11) . . ? N5 C21 S2 120.61(10) . . ? N41 C42 C41 179.63(18) . . ? N1 C12 H12A 109.5 . . ? N1 C12 H12B 109.5 . . ? N1 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C42 C41 H41A 109.5 . . ? C42 C41 H41B 109.5 . . ? C42 C41 H41C 109.5 . . ? H41A C41 H41B 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? N5 C22 H22A 109.5 . . ? N5 C22 H22B 109.5 . . ? N5 C22 H22C 109.5 . . ? H22A C22 H22B 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? N31 C32 C31 179.4(2) . . ? C32 C31 H31A 109.5 . . ? C32 C31 H31B 109.5 . . ? C32 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? Cu2 O1 H1C 110.6 . . ? Cu2 O1 H1D 110.4 . . ? H1C O1 H1D 103.4 . . ? 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 Cu1 Cl1 2.5119(4) 1_545 ? Cu1 Cl3 2.2927(3) . ? Cu1 Cl2 2.2660(4) . ? Cu1 N8 2.0346(11) . ? Cu1 N4 2.0500(11) 2_665 ? Cu2 Cl1 2.2716(3) . ? Cu2 Cl1 2.2716(3) 2_675 ? Cu2 N3 2.4137(11) . ? Cu2 N3 2.4136(11) 2_675 ? Cu2 O1 2.0140(9) 2_675 ? Cu2 O1 2.0140(9) . ? S1 C11 1.7446(12) . ? S1 C1 1.8231(13) . ? S2 C1 1.8061(13) . ? S2 C21 1.7389(13) . ? N8 N7 1.3643(15) . ? N8 C21 1.3336(16) . ? N4 N3 1.3547(14) . ? N4 C11 1.3322(16) . ? N3 N2 1.2999(15) . ? N1 N2 1.3422(15) . ? N1 C11 1.3430(16) . ? N1 C12 1.4645(16) . ? N5 N6 1.3510(16) . ? N5 C21 1.3444(16) . ? N5 C22 1.4587(17) . ? N7 N6 1.2923(16) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? N41 C42 1.141(2) . ? C42 C41 1.456(2) . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? N31 C32 1.133(2) . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C32 C31 1.455(2) . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? O1 H1C 0.8873 . ? O1 H1D 0.8874 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag C1 H1A S1 0.99 2.94 3.6136(13) 126.0 2_665 yes C1 H1B Cl3 0.99 2.70 3.5835(13) 149.1 2_665 yes C1 H1B Cl2 0.99 2.95 3.5478(13) 119.9 2_765 yes C1 H1B S2 0.99 2.95 3.5065(13) 116.3 2_765 yes C12 H12B N31 0.98 2.68 3.650(2) 170.0 . yes C12 H12C N41 0.98 2.95 3.221(2) 96.9 2_666 yes C41 H41A Cl1 0.98 2.98 3.3693(15) 104.8 1_455 yes C41 H41A Cl2 0.98 2.81 3.6815(16) 148.3 2_665 yes C22 H22C Cl3 0.98 2.95 3.5901(15) 123.9 1_655 yes C31 H31A N6 0.98 2.64 3.559(2) 156.5 2_756 yes C31 H31B N7 0.98 2.59 3.473(2) 150.1 2_656 yes C31 H31C Cl1 0.98 2.98 3.6987(18) 131.3 2_666 yes C31 H31C O1 0.98 2.71 3.536(2) 141.7 2_666 yes O1 H1C Cl1 0.89 2.99 3.6713(10) 135.4 1_455 yes O1 H1C Cl2 0.89 2.72 3.4096(10) 135.1 1_465 yes O1 H1D Cl3 0.89 2.24 3.1268(10) 172.7 1_565 yes 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 Cu1 N8 N7 N6 177.39(9) . . . . ? Cu1 N8 C21 S2 -0.7(2) . . . . ? Cu1 N8 C21 N5 -177.69(9) . . . . ? Cu1 N4 N3 Cu2 -19.46(13) 2_665 . . . ? Cu1 N4 N3 N2 -179.20(8) 2_665 . . . ? Cu1 N4 C11 S1 -1.81(17) 2_665 . . . ? Cu1 N4 C11 N1 179.19(8) 2_665 . . . ? Cu2 N3 N2 N1 -159.10(8) . . . . ? N8 N7 N6 N5 1.37(14) . . . . ? N4 N3 N2 N1 0.01(13) . . . . ? N3 N4 C11 S1 179.16(9) . . . . ? N3 N4 C11 N1 0.16(13) . . . . ? N7 N8 C21 S2 177.60(10) . . . . ? N7 N8 C21 N5 0.62(13) . . . . ? N2 N1 C11 S1 -179.14(9) . . . . ? N2 N1 C11 N4 -0.15(13) . . . . ? N6 N5 C21 S2 -177.21(9) . . . . ? N6 N5 C21 N8 0.19(14) . . . . ? C11 S1 C1 S2 84.44(8) . . . . ? C11 N4 N3 Cu2 159.64(8) . . . . ? C11 N4 N3 N2 -0.11(13) . . . . ? C11 N1 N2 N3 0.08(13) . . . . ? C1 S1 C11 N4 90.83(11) . . . . ? C1 S1 C11 N1 -90.36(11) . . . . ? C1 S2 C21 N8 34.78(14) . . . . ? C1 S2 C21 N5 -148.57(10) . . . . ? C21 S2 C1 S1 77.15(8) . . . . ? C21 N8 N7 N6 -1.27(14) . . . . ? C21 N5 N6 N7 -0.97(14) . . . . ? C12 N1 N2 N3 179.95(11) . . . . ? C12 N1 C11 S1 1.01(19) . . . . ? C12 N1 C11 N4 180.00(12) . . . . ? C22 N5 N6 N7 -178.61(12) . . . . ? C22 N5 C21 S2 0.20(19) . . . . ? C22 N5 C21 N8 177.59(12) . . . . ?