#------------------------------------------------------------------------------ #$Date: 2025-03-27 03:35:29 +0200 (Thu, 27 Mar 2025) $ #$Revision: 298614 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/06/37/7063717.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_7063717 loop_ _publ_author_name 'Basak, Swati' 'DAS, PRANJAL' 'Kuilya, Hemrupa' 'Choudhury, Diganta' 'Kalita, Apurba' _publ_section_title ; Electrocatalytic water oxidation activity of phenolate bridged dinuclear copper (II) complexes in alkaline phosphate buffer ; _journal_name_full 'New Journal of Chemistry' _journal_paper_doi 10.1039/D5NJ00742A _journal_year 2025 _chemical_formula_moiety 'C28 H30 Cl2 Cu2 N4 O10, C28 H34 Cu2 N4 O4, 2(Cl O4)' _chemical_formula_sum 'C56 H64 Cl4 Cu4 N8 O22' _chemical_formula_weight 1597.166 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_Int_Tables_number 2 _audit_creation_date 2025-02-15 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _audit_update_record ; 2025-02-18 deposited with the CCDC. 2025-03-25 downloaded from the CCDC. ; _cell_angle_alpha 88.941(2) _cell_angle_beta 80.613(2) _cell_angle_gamma 72.078(2) _cell_formula_units_Z 1 _cell_length_a 10.1663(5) _cell_length_b 11.4731(5) _cell_length_c 14.2943(6) _cell_measurement_reflns_used 9888 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 28.34 _cell_measurement_theta_min 2.32 _cell_volume 1564.23(12) _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5 (Bourhis et al., 2015)' _computing_structure_solution 'olex2.solve 1.5 (Bourhis et al., 2015)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.9961 _diffrn_measured_fraction_theta_max 0.9946 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0346 _diffrn_reflns_av_unetI/netI 0.0290 _diffrn_reflns_Laue_measured_fraction_full 0.9961 _diffrn_reflns_Laue_measured_fraction_max 0.9946 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 36254 _diffrn_reflns_point_group_measured_fraction_full 0.9961 _diffrn_reflns_point_group_measured_fraction_max 0.9946 _diffrn_reflns_theta_full 25.2417 _diffrn_reflns_theta_max 28.36 _diffrn_reflns_theta_min 2.13 _diffrn_source_current 1.0 _diffrn_source_power 0.05 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.597 _exptl_absorpt_correction_T_max 28.34 _exptl_absorpt_correction_T_min 2.32 _exptl_absorpt_correction_type none _exptl_crystal_colour 'metallic light green' _exptl_crystal_colour_lustre metallic _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary green _exptl_crystal_density_diffrn 1.695 _exptl_crystal_description block _exptl_crystal_F_000 818.576 _exptl_crystal_preparation Synthesized _exptl_crystal_recrystallization_method 'Slow evaporation in methanol' _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.12 _refine_diff_density_max 0.6423 _refine_diff_density_min -0.4825 _refine_diff_density_rms 0.0972 _refine_ls_d_res_high 0.7481 _refine_ls_d_res_low 9.5396 _refine_ls_goodness_of_fit_ref 1.0550 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 57 _refine_ls_number_parameters 425 _refine_ls_number_reflns 7781 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0550 _refine_ls_R_factor_all 0.0513 _refine_ls_R_factor_gt 0.0386 _refine_ls_shift/su_max -0.0003 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+1.3955P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0993 _refine_ls_wR_factor_ref 0.1070 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 13 _reflns_limit_h_min -13 _reflns_limit_k_max 15 _reflns_limit_k_min -15 _reflns_limit_l_max 19 _reflns_limit_l_min 0 _reflns_number_gt 6363 _reflns_number_total 7781 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL Complex 2.res in P-1 New:P-1 CELL 0.71073 10.1663 11.4731 14.2943 88.941 80.613 72.078 ZERR 1 0.0005 0.0005 0.0006 0.002 0.002 0.002 LATT 1 SFAC C H Cl Cu N O UNIT 56 64 4 4 8 22 L.S. 5 CONF MORE -1 FMAP 2 ACTA BOND $H MERG 2 WGHT 0.047704 1.395472 FVAR 0.495381 REM REM REM Cu02 4 0.38262 0.11471 0.48608 11.00000 0.02948 0.03289 0.03231 = -0.00160 -0.01099 0.00353 Cl1 3 0.73146 0.15634 0.39574 11.00000 0.05077 0.04688 0.03307 = -0.00493 -0.00409 -0.01347 O3 6 0.49057 -0.04285 0.42373 11.00000 0.03033 0.03396 0.02511 = 0.00092 -0.00729 0.00003 O4 6 0.58359 0.18640 0.39105 11.00000 0.05138 0.06358 0.07337 = 0.01552 -0.01499 -0.00751 O5 6 0.78475 0.02586 0.39816 11.00000 0.07037 0.05518 0.13867 = -0.02439 -0.03072 0.00633 O6 6 0.75051 0.20537 0.48004 11.00000 0.10922 0.11038 0.05212 = -0.02642 -0.01492 -0.04401 O7 6 0.79907 0.20141 0.31693 11.00000 0.11427 0.19887 0.05207 = 0.02859 -0.00681 -0.09980 N4 5 0.24571 0.15412 0.39364 11.00000 0.03341 0.04315 0.04828 = -0.00187 -0.01781 -0.00078 AFIX 13 H4a 2 0.28104 0.19703 0.34736 11.00000 -1.20000 AFIX 0 N3 5 0.29673 0.27796 0.55061 11.00000 0.03145 0.03167 0.03359 = 0.00132 -0.00524 -0.00002 C28 1 0.50479 -0.06004 0.32807 11.00000 0.03444 0.03065 0.02678 = 0.00262 -0.00799 -0.00978 C27 1 0.63283 -0.11659 0.27207 11.00000 0.03318 0.04228 0.02974 = 0.00223 -0.00505 -0.01105 AFIX 43 H27 2 0.71310 -0.14412 0.29979 11.00000 -1.20000 AFIX 0 C26 1 0.64243 -0.13251 0.17511 11.00000 0.04337 0.05053 0.03267 = -0.00158 -0.00055 -0.01611 AFIX 43 H26 2 0.72839 -0.17375 0.13868 11.00000 -1.20000 AFIX 0 C25 1 0.52577 -0.08782 0.13215 11.00000 0.05636 0.06337 0.02934 = -0.00022 -0.01114 -0.02542 AFIX 43 H25 2 0.53315 -0.09646 0.06676 11.00000 -1.20000 AFIX 0 C24 1 0.39765 -0.02999 0.18729 11.00000 0.04799 0.05806 0.03705 = 0.00114 -0.01924 -0.01741 AFIX 43 H24 2 0.31895 0.00154 0.15845 11.00000 -1.20000 AFIX 0 C23 1 0.38472 -0.01827 0.28558 11.00000 0.03708 0.04154 0.03419 = 0.00023 -0.01158 -0.01033 C22 1 0.24493 0.04122 0.34558 11.00000 0.03726 0.05131 0.04957 = -0.00078 -0.01679 -0.00902 AFIX 23 H22a 2 0.22399 -0.01534 0.39263 11.00000 -1.20000 H22b 2 0.17252 0.06134 0.30604 11.00000 -1.20000 AFIX 0 C21 1 0.10197 0.23492 0.43144 11.00000 0.04126 0.06881 0.07912 = -0.01953 -0.02930 0.01528 AFIX 23 H21a 2 0.08862 0.31445 0.40329 11.00000 -1.20000 H21b 2 0.03448 0.20020 0.41203 11.00000 -1.20000 AFIX 0 C20 1 0.07223 0.25254 0.53794 11.00000 0.03141 0.04922 0.07384 = -0.00264 -0.00299 -0.00423 AFIX 23 H20a 2 -0.02683 0.29458 0.55795 11.00000 -1.20000 H20b 2 0.09408 0.17298 0.56655 11.00000 -1.20000 AFIX 0 C19 1 0.15550 0.32478 0.57242 11.00000 0.03143 0.03793 0.03787 = 0.00572 -0.00221 0.00059 C18 1 0.09491 0.43489 0.62397 11.00000 0.03648 0.04408 0.05490 = -0.00447 0.00187 0.00402 AFIX 43 H18 2 -0.00216 0.46687 0.63864 11.00000 -1.20000 AFIX 0 C17 1 0.17745 0.49657 0.65327 11.00000 0.05820 0.03937 0.06118 = -0.01250 -0.00342 0.00205 AFIX 43 H17 2 0.13702 0.57009 0.68819 11.00000 -1.20000 AFIX 0 C16 1 0.32168 0.44844 0.63041 11.00000 0.05295 0.04728 0.05955 = -0.00870 -0.01015 -0.01063 AFIX 43 H16 2 0.37984 0.48912 0.64910 11.00000 -1.20000 AFIX 0 C15 1 0.37716 0.33853 0.57919 11.00000 0.03631 0.04562 0.04169 = -0.00309 -0.00613 -0.00478 AFIX 43 H15 2 0.47406 0.30540 0.56401 11.00000 -1.20000 AFIX 0 Cu01 4 0.62694 0.39851 0.02833 11.00000 0.02896 0.02454 0.02637 = 0.00500 -0.00264 -0.00188 O1 6 0.45107 0.51724 0.08267 11.00000 0.03411 0.03303 0.02231 = 0.00452 -0.00274 0.00202 O2 6 0.74622 0.51695 0.08140 11.00000 0.05311 0.05336 0.08842 = -0.00500 -0.01624 -0.02031 AFIX 7 H2a 2 0.83187 0.47497 0.07845 11.00000 -1.50000 H2b 2 0.74761 0.57438 0.04320 11.00000 -1.50000 AFIX 0 N1 5 0.79589 0.28444 -0.04703 11.00000 0.02794 0.03089 0.03277 = 0.00412 -0.00263 -0.00563 N2 5 0.63059 0.29139 0.14294 11.00000 0.03607 0.02714 0.02714 = 0.00301 -0.00555 -0.00659 AFIX 13 H2 2 0.66958 0.32253 0.18546 11.00000 -1.20000 AFIX 0 C14 1 0.40986 0.53430 0.17790 11.00000 0.02687 0.03509 0.02471 = 0.00427 -0.00387 -0.00484 C13 1 0.36404 0.65052 0.22073 11.00000 0.03969 0.03507 0.03171 = 0.00296 -0.00521 -0.00383 AFIX 43 H13 2 0.36534 0.71834 0.18438 11.00000 -1.20000 AFIX 0 C12 1 0.31639 0.66569 0.31748 11.00000 0.04304 0.04071 0.03890 = -0.00717 -0.00875 -0.00033 AFIX 43 H12 2 0.28334 0.74399 0.34559 11.00000 -1.20000 AFIX 0 C11 1 0.31764 0.56545 0.37242 11.00000 0.04177 0.06080 0.02698 = -0.00059 -0.00060 -0.00541 AFIX 43 H11 2 0.28354 0.57589 0.43717 11.00000 -1.20000 AFIX 0 C10 1 0.36997 0.44950 0.33039 11.00000 0.04097 0.04707 0.03091 = 0.00841 -0.00099 -0.01084 AFIX 43 H10 2 0.37407 0.38173 0.36785 11.00000 -1.20000 AFIX 0 C9 1 0.41654 0.43194 0.23354 11.00000 0.02837 0.03711 0.02876 = 0.00397 -0.00278 -0.00866 C8 1 0.48265 0.30579 0.18798 11.00000 0.03977 0.03471 0.03321 = 0.00559 -0.00201 -0.01394 AFIX 23 H8a 2 0.42972 0.29391 0.14029 11.00000 -1.20000 H8b 2 0.48140 0.24449 0.23548 11.00000 -1.20000 AFIX 0 C7 1 0.71744 0.16103 0.12320 11.00000 0.04438 0.03097 0.03960 = 0.00885 -0.00634 -0.00400 AFIX 23 H7a 2 0.81264 0.15174 0.13217 11.00000 -1.20000 H7b 2 0.68063 0.10984 0.16817 11.00000 -1.20000 AFIX 0 C6 1 0.71940 0.11795 0.02345 11.00000 0.04619 0.03068 0.04402 = -0.00106 -0.00144 -0.01385 AFIX 23 H6a 2 0.74921 0.02907 0.02009 11.00000 -1.20000 H6b 2 0.62525 0.14716 0.00849 11.00000 -1.20000 AFIX 0 C5 1 0.81553 0.16276 -0.04826 11.00000 0.03320 0.02898 0.03679 = 0.00122 -0.00627 -0.00433 C4 1 0.92088 0.08496 -0.11254 11.00000 0.03940 0.03718 0.05087 = -0.00384 -0.00086 -0.00192 AFIX 43 H4 2 0.93363 0.00114 -0.11270 11.00000 -1.20000 AFIX 0 C3 1 1.00655 0.13147 -0.17607 11.00000 0.03573 0.05717 0.05431 = -0.00599 0.00908 0.00036 AFIX 43 H3 2 1.07589 0.08013 -0.22086 11.00000 -1.20000 AFIX 0 C2 1 0.98830 0.25585 -0.17255 11.00000 0.03681 0.05893 0.05342 = 0.00838 0.00788 -0.00907 AFIX 43 H2c 2 1.04702 0.28917 -0.21361 11.00000 -1.20000 AFIX 0 C1 1 0.88201 0.32947 -0.10741 11.00000 0.03452 0.03939 0.04782 = 0.00725 -0.00276 -0.00898 AFIX 43 H1 2 0.86947 0.41322 -0.10516 11.00000 -1.20000 AFIX 0 Cl2 3 0.11437 0.29395 0.11809 11.00000 0.05378 0.04413 0.06675 = 0.01074 -0.01810 -0.01605 O11 6 0.23846 0.26914 0.04996 11.00000 0.09509 0.20105 0.07896 = -0.01122 -0.00070 -0.01331 O8 6 0.03247 0.41141 0.10223 11.00000 0.10175 0.06817 0.25023 = 0.04782 -0.06510 -0.01433 O9 6 0.04386 0.21513 0.10807 11.00000 0.23876 0.13821 0.33810 = 0.07536 -0.14238 -0.14774 O10 6 0.15606 0.28768 0.20657 11.00000 0.09741 0.22330 0.07134 = 0.01702 -0.02543 -0.03757 HKLF 4 END Q1 1 -0.055556 0.35 0.125 11 0.05 0.64 Q2 1 0.25 0.275 0.041667 11 0.05 0.63 Q3 1 0.138889 0.375 0.1875 11 0.05 0.59 Q4 1 0.166667 0.2 0.0625 11 0.05 0.59 Q5 1 0.138889 0.375 0.0625 11 0.05 0.47 REM The information below was added by Olex2. REM REM R1 = 0.0386 for 6363 Fo > 4sig(Fo) and 0.0513 for all 7781 data REM 425 parameters refined using 0 restraints REM Highest difference peak 0.6423, deepest hole -0.4825 REM Mean Shift 0.0000, Max Shift -0.0003. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0513 REM R1_gt = 0.0386 REM wR_ref = 0.1070 REM GOOF = 1.0550 REM Shift_max = -0.0003 REM Shift_mean = 0.0000 REM Reflections_all = 7781 REM Reflections_gt = 6363 REM Parameters = 425 REM Hole = -0.4825 REM Peak = 0.6423 REM Flack = n/a ; _cod_data_source_file d5nj00742a2.cif _cod_data_source_block Complex2 _cod_database_code 7063717 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All N(H) groups At 1.5 times of: All O(H,H) groups 2.a Rotating group: O2(H2a,H2b) 2.b Ternary CH refined with riding coordinates: N4(H4a), N2(H2) 2.c Secondary CH2 refined with riding coordinates: C22(H22a,H22b), C21(H21a,H21b), C20(H20a,H20b), C8(H8a,H8b), C7(H7a,H7b), C6(H6a,H6b) 2.d Aromatic/amide H refined with riding coordinates: C27(H27), C26(H26), C25(H25), C24(H24), C18(H18), C17(H17), C16(H16), C15(H15), C13(H13), C12(H12), C11(H11), C10(H10), C4(H4), C3(H3), C2(H2c), C1(H1) ; _iucr_refine_fcf_details ; data_Complex2_CCDC1 _computing_structure_refinement 'olex2.refine 1.5 (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 _cell_length_a 10.1663(5) _cell_length_b 11.4731(5) _cell_length_c 14.2943(6) _cell_angle_alpha 88.941(2) _cell_angle_beta 80.613(2) _cell_angle_gamma 72.078(2) _cell_volume 1564.23(12) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -13 -7 1 19.949 23.089 10.530 96.993 o -13 -6 1 0.201 -12.602 9.683 145.764 o -13 -6 2 77.642 88.877 23.635 19.926 o -13 -5 1 166.866 149.648 23.635 16.253 o -13 -5 2 19.070 42.855 11.905 75.631 o -13 -4 1 2.448 -0.304 9.780 139.836 o -13 -4 2 92.221 83.004 14.001 40.453 o -13 -3 1 3.379 -6.520 12.632 84.151 o -13 -3 2 84.951 136.511 26.895 15.394 o -13 -2 1 81.080 94.539 17.930 29.929 o -12 -10 1 2.847 8.042 11.287 102.319 o -12 -10 2 6.761 5.297 16.707 47.553 o -12 -9 1 134.075 147.653 16.180 27.447 o -12 -9 2 18.563 17.757 18.948 35.538 o -12 -9 3 85.719 89.039 14.587 39.002 o -12 -8 1 4.667 31.020 13.170 71.085 o -12 -8 2 123.646 151.544 29.872 12.248 o -12 -8 3 5.862 8.848 12.274 85.409 o -12 -8 4 192.401 177.088 16.947 21.792 o -12 -7 1 20.885 33.788 9.028 115.949 o -12 -7 2 22.964 20.397 10.368 98.194 o -12 -7 3 53.495 65.109 11.021 65.519 o -12 -7 4 1.515 -7.335 14.059 68.795 o -12 -7 5 236.171 229.273 44.397 5.654 o -12 -6 1 44.830 61.152 10.279 75.422 o -12 -6 2 50.220 46.504 10.385 75.384 o -12 -6 3 71.208 72.345 10.462 61.962 o -12 -6 4 0.938 -4.963 11.523 102.462 o -12 -6 5 0.334 2.021 10.779 116.595 o -12 -5 1 195.859 184.135 12.121 27.463 o -12 -5 2 5.354 18.525 9.335 135.650 o -12 -5 3 345.629 366.592 24.657 9.902 o -12 -5 4 2.221 -17.220 9.372 152.303 o -12 -5 5 46.442 40.382 21.597 25.696 o -12 -5 6 0.188 -4.482 18.745 38.954 o -12 -4 1 6.093 7.168 9.046 150.602 o -12 -4 2 112.447 109.241 13.804 36.594 o -12 -4 3 8.296 25.121 9.866 116.866 o -12 -4 4 270.995 281.028 22.018 13.181 o -12 -4 5 31.395 43.194 15.077 49.001 o -12 -4 6 273.904 299.875 38.712 6.601 o -12 -3 1 51.553 81.035 11.646 59.577 o -12 -3 2 23.734 11.823 12.021 79.167 o -12 -3 3 56.625 68.632 11.748 59.283 o -12 -3 4 6.631 8.772 10.076 122.372 o -12 -3 5 336.144 331.536 25.603 9.943 o -12 -2 1 62.156 66.014 18.337 31.557 o -12 -2 2 3.605 2.785 9.456 145.529 o -12 -2 3 5.210 2.281 8.028 194.529 o -12 -2 4 10.490 -14.381 8.711 159.679 o -12 -2 5 35.795 56.352 13.182 57.678 o -12 -1 1 14.152 12.624 7.935 166.133 o -12 -1 2 54.996 70.150 10.249 69.501 o -12 -1 3 6.845 14.016 8.416 163.196 o -12 -1 4 2.539 -7.161 8.108 201.059 o -12 0 1 155.375 174.551 14.184 28.149 o -12 0 2 157.895 150.617 11.823 33.259 o -12 0 3 0.714 -2.252 9.271 158.099 o -12 0 4 120.286 98.960 20.129 23.121 o -12 1 1 177.921 190.240 16.050 23.328 o -12 1 2 8.532 -1.434 7.746 201.344 o -11 -12 1 17.943 0.815 15.485 53.245 o -11 -11 1 0.447 -11.387 10.007 136.187 o -11 -11 2 0.183 -24.130 10.228 130.689 o -11 -11 3 62.197 53.119 13.171 51.870 o -11 -10 1 46.875 67.588 11.960 60.953 o -11 -10 2 1.634 -1.724 9.244 157.452 o -11 -10 3 92.282 95.762 13.405 41.501 o -11 -10 4 1.275 -16.869 9.628 145.848 o -11 -10 5 0.073 3.599 14.549 64.164 o -11 -9 1 53.423 57.323 10.700 69.274 o -11 -9 2 215.674 190.943 17.623 19.621 o -11 -9 3 59.218 42.605 10.978 67.800 o -11 -9 4 85.890 74.714 15.109 38.219 o -11 -9 5 37.200 56.558 12.240 63.670 o -11 -9 6 6.328 0.422 11.581 97.648 o -11 -8 1 31.909 26.384 9.533 101.516 o -11 -8 2 31.211 26.962 9.057 108.999 o -11 -8 3 71.722 90.383 18.230 30.102 o -11 -8 4 123.002 141.819 14.597 31.736 o -11 -8 5 107.049 134.464 19.015 24.699 o -11 -8 6 58.810 46.964 14.466 46.789 o -11 -8 7 0.849 -4.666 14.066 68.935 o -11 -7 1 23.508 35.375 9.097 111.520 o -11 -7 2 5.722 -1.814 9.946 131.330 o -11 -7 3 88.987 98.561 11.182 50.161 o -11 -7 4 59.902 83.227 12.084 54.581 o -11 -7 5 454.641 417.255 33.804 6.211 o -11 -7 6 41.478 31.785 19.967 30.071 o -11 -7 7 18.108 13.341 13.105 70.078 o -11 -6 1 26.863 32.450 7.937 130.475 o -11 -6 2 96.526 88.859 10.694 51.561 o -11 -6 3 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5 45.945 73.014 8.511 87.772 o 10 2 6 134.158 175.777 12.130 33.932 o 10 2 7 507.209 548.671 18.189 8.172 o 10 2 8 367.991 382.098 32.242 7.301 o 10 2 9 555.412 537.774 19.949 7.394 o 10 2 10 121.477 94.185 14.950 33.477 o 10 2 11 166.282 177.194 13.087 28.884 o 10 2 12 6.039 11.469 8.881 152.204 o 10 2 13 135.552 113.775 12.009 37.965 o 10 2 14 1.406 13.731 14.606 61.937 o 10 3 0 0.891 2.880 4.239 679.807 o 10 3 1 110.245 135.775 9.064 48.912 o 10 3 2 339.927 350.794 16.587 13.384 o 10 3 3 629.611 633.441 21.576 6.082 o 10 3 4 441.546 434.278 18.385 9.855 o 10 3 5 1630.390 1600.830 34.234 1.455 o 10 3 6 39.388 40.275 11.414 72.364 o 10 3 7 406.429 442.645 33.173 6.574 o 10 3 8 248.211 234.770 15.079 19.488 o 10 3 9 623.515 598.507 34.957 4.655 o 10 3 10 217.199 237.125 14.383 21.624 o 10 3 11 33.295 22.886 11.539 77.460 o 10 3 12 282.570 308.298 16.952 15.447 o 10 3 13 10.023 2.647 9.556 134.252 o 10 3 14 76.372 54.580 15.662 38.836 o 10 3 15 10.941 6.749 8.381 163.486 o 10 4 0 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744.293 816.717 25.038 4.500 o 11 -1 6 6.239 16.082 6.411 250.841 o 11 -1 7 161.671 132.697 10.576 36.366 o 11 -1 8 184.616 181.490 16.067 23.171 o 11 -1 9 81.475 73.262 10.661 57.624 o 11 -1 10 399.896 435.662 19.222 10.295 o 11 -1 11 7.174 10.097 12.177 85.698 o 11 0 0 388.793 397.293 26.291 8.630 o 11 0 1 47.765 37.408 11.528 68.744 o 11 0 2 214.928 208.450 12.661 24.444 o 11 0 3 0.839 9.871 6.457 290.736 o 11 0 4 299.154 294.888 15.447 16.001 o 11 0 5 1.342 -0.378 4.984 524.840 o 11 0 6 345.902 385.224 14.668 13.566 o 11 0 7 2.197 10.348 6.269 296.310 o 11 0 8 323.935 357.261 17.345 13.375 o 11 0 9 11.829 -1.760 6.533 254.418 o 11 0 10 184.724 179.793 13.169 27.107 o 11 0 11 123.225 134.899 11.931 38.411 o 11 0 12 18.909 26.311 8.533 132.082 o 11 1 0 31.579 33.931 8.094 121.131 o 11 1 1 50.490 47.697 8.133 97.194 o 11 1 2 14.125 18.646 6.788 200.073 o 11 1 3 24.345 20.151 5.257 225.015 o 11 1 4 1.818 8.237 6.909 256.963 o 11 1 5 48.164 55.949 9.181 85.065 o 11 1 6 36.110 38.687 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11 3 5 368.611 380.033 16.970 12.191 o 11 3 6 168.951 148.320 12.327 31.271 o 11 3 7 58.608 54.084 10.352 70.493 o 11 3 8 168.701 153.990 12.094 31.416 o 11 3 9 152.855 170.443 12.671 31.168 o 11 3 10 326.923 358.957 26.814 9.448 o 11 3 11 5.278 9.807 9.946 126.221 o 11 3 12 399.375 370.011 22.824 9.712 o 11 3 13 4.774 2.591 8.747 166.624 o 11 4 0 625.654 605.700 21.488 6.232 o 11 4 1 204.751 201.355 10.517 27.998 o 11 4 2 444.974 403.189 16.152 10.655 o 11 4 3 0.831 12.851 6.868 253.729 o 11 4 4 329.994 325.911 15.082 14.696 o 11 4 5 49.584 48.338 8.145 97.502 o 11 4 6 92.061 106.964 10.939 49.529 o 11 4 7 0.309 5.610 6.650 290.548 o 11 4 8 367.834 400.841 18.609 11.397 o 11 4 9 120.717 118.303 11.328 41.703 o 11 4 10 256.853 258.032 19.272 15.544 o 11 4 11 186.534 174.612 18.146 20.753 o 11 4 12 0.648 7.384 8.337 186.143 o 11 4 13 234.558 200.359 18.834 17.569 o 11 5 0 54.833 42.448 9.095 85.950 o 11 5 1 13.319 21.401 6.016 231.645 o 11 5 2 215.316 222.735 11.607 25.054 o 11 5 3 425.074 427.355 15.640 10.942 o 11 5 4 369.392 337.424 20.258 11.375 o 11 5 5 241.132 242.474 14.524 20.112 o 11 5 6 70.722 77.395 14.126 43.689 o 11 5 8 55.634 52.252 9.619 78.094 o 11 5 9 82.081 115.793 37.944 8.614 o 11 5 10 0.739 -12.323 10.262 129.180 o 11 5 11 175.646 167.943 13.479 27.868 o 11 5 12 75.585 59.288 19.738 27.460 o 11 5 13 61.559 69.764 11.013 62.130 o 11 6 0 218.600 212.205 14.408 22.220 o 11 6 1 330.559 329.099 17.039 13.709 o 11 6 2 51.434 43.523 7.129 110.137 o 11 6 3 115.660 146.508 12.613 36.917 o 11 6 4 146.580 151.352 14.850 28.694 o 11 6 5 320.000 377.514 18.522 12.701 o 11 6 6 33.382 36.561 7.896 121.065 o 11 6 7 164.028 132.944 12.565 32.142 o 11 6 8 5.233 -4.991 14.881 60.505 o 11 6 9 2.361 8.299 11.528 98.520 o 11 6 10 12.026 6.402 8.310 164.101 o 11 6 11 20.446 7.410 8.585 141.516 o 11 6 12 121.682 70.098 19.704 24.502 o 11 6 13 11.324 16.694 8.848 141.208 o 11 7 0 130.164 142.324 14.460 31.308 o 11 7 1 521.577 516.649 19.229 8.006 o 11 7 2 25.172 16.740 6.809 173.983 o 11 7 3 26.542 26.992 7.630 141.047 o 11 7 4 26.033 28.224 7.449 144.968 o 11 7 5 17.216 19.094 7.870 156.382 o 11 7 6 348.951 324.433 17.009 13.306 o 11 7 7 18.952 26.930 7.389 159.573 o 11 7 8 76.890 70.315 10.483 60.373 o 11 7 9 0.136 -9.432 10.999 113.082 o 11 7 10 139.226 148.243 14.639 29.846 o 11 7 11 10.204 18.985 8.944 138.722 o 11 7 12 70.213 73.299 15.748 38.147 o 11 8 0 573.920 553.710 23.344 6.620 o 11 8 1 4.024 -4.458 7.594 222.904 o 11 8 2 133.274 157.927 14.391 30.424 o 11 8 3 0.960 -1.449 6.094 360.039 o 11 8 4 208.791 185.182 12.251 26.217 o 11 8 5 2.970 1.499 6.457 303.189 o 11 8 6 108.761 133.691 12.881 37.989 o 11 8 7 21.064 25.210 8.591 128.851 o 11 8 8 1.406 1.314 7.940 210.789 o 11 8 9 185.120 151.836 24.592 14.941 o 11 8 10 2.807 -14.315 7.729 219.596 o 11 8 11 115.682 111.675 28.549 13.635 o 11 9 0 8.407 4.274 8.660 161.256 o 11 9 1 78.976 61.562 10.587 60.492 o 11 9 2 9.734 12.202 8.082 170.526 o 11 9 3 149.424 134.847 13.037 32.662 o 11 9 4 0.170 -6.759 8.598 184.862 o 11 9 5 108.082 137.560 12.864 37.863 o 11 9 6 9.212 3.780 7.554 202.818 o 11 9 7 17.483 14.832 8.163 151.435 o 11 9 8 4.842 10.314 12.881 78.109 o 11 9 9 0.234 15.425 7.727 203.898 o 11 9 10 56.328 58.938 13.254 52.084 o 11 9 11 1.767 10.621 12.528 83.712 o 11 10 0 36.250 27.733 8.551 111.989 o 11 10 1 107.466 103.126 11.720 44.049 o 11 10 2 2.141 6.650 9.352 147.926 o 11 10 3 30.490 41.325 12.597 65.545 o 11 10 4 0.810 -6.528 8.881 171.965 o 11 10 5 10.565 14.155 12.351 80.892 o 11 10 6 56.105 68.630 10.197 69.738 o 11 10 7 94.629 102.059 12.534 43.602 o 11 10 8 80.871 74.009 14.057 42.619 o 11 10 9 78.982 88.008 11.811 50.868 o 11 11 0 42.553 27.841 10.079 87.033 o 11 11 1 13.545 6.524 8.592 152.588 o 11 11 2 116.253 98.396 15.528 32.395 o 11 11 3 100.206 111.136 12.024 43.607 o 11 11 4 77.834 76.976 11.095 55.891 o 11 11 5 13.931 5.808 15.087 56.225 o 11 11 6 180.019 170.352 18.917 20.266 o 11 11 7 41.327 40.256 10.150 83.488 o 11 11 8 167.757 184.419 18.163 21.394 o 11 12 0 3.538 5.214 9.129 153.687 o 11 12 1 30.393 31.533 17.939 37.323 o 11 12 2 15.238 -1.824 9.355 134.361 o 11 12 3 29.268 22.518 10.189 95.644 o 11 12 4 46.194 37.809 10.677 76.571 o 11 12 5 76.353 40.584 17.645 33.343 o 12 -2 0 11.503 15.700 11.370 92.732 o 12 -2 1 125.036 121.821 12.238 38.280 o 12 -2 2 83.733 79.686 10.203 58.395 o 12 -2 3 24.459 15.460 7.774 149.789 o 12 -2 4 0.075 -4.056 7.781 225.927 o 12 -2 5 54.145 60.609 14.670 45.498 o 12 -2 6 10.093 -1.379 8.647 162.522 o 12 -1 0 21.985 21.546 10.457 97.183 o 12 -1 1 283.247 289.374 19.956 13.951 o 12 -1 2 85.778 111.032 11.915 46.641 o 12 -1 3 185.985 169.765 14.527 25.491 o 12 -1 4 234.674 231.380 34.357 8.398 o 12 -1 5 86.196 79.325 11.633 51.016 o 12 -1 6 41.008 25.447 9.268 98.651 o 12 -1 7 1.191 10.297 12.512 84.275 o 12 -1 8 104.383 102.242 13.117 40.137 o 12 0 0 218.980 197.370 17.505 19.451 o 12 0 1 11.800 19.309 8.035 161.145 o 12 0 2 571.625 621.185 45.267 3.745 o 12 0 3 0.229 2.204 7.149 261.561 o 12 0 4 408.346 426.316 20.508 9.856 o 12 0 5 83.783 86.312 9.924 58.802 o 12 0 6 26.650 22.161 7.784 140.991 o 12 0 7 11.215 11.141 7.705 181.937 o 12 0 8 38.544 21.266 9.492 99.027 o 12 0 9 31.459 62.347 30.562 13.745 o 12 1 0 171.103 206.771 20.429 18.285 o 12 1 1 203.456 210.076 15.474 21.992 o 12 1 2 244.872 239.781 15.203 19.423 o 12 1 3 325.206 353.845 30.970 8.145 o 12 1 4 6.498 8.350 6.385 269.532 o 12 1 5 207.952 182.577 12.589 25.963 o 12 1 6 56.015 77.680 9.587 72.356 o 12 1 7 113.337 124.056 11.755 41.193 o 12 1 8 26.706 22.171 7.556 146.154 o 12 1 9 139.878 142.062 12.898 33.600 o 12 1 10 13.237 19.856 12.888 72.766 o 12 2 0 75.287 65.065 10.699 60.452 o 12 2 1 17.937 40.934 12.141 74.175 o 12 2 2 11.577 7.271 13.942 65.595 o 12 2 3 12.629 28.515 7.441 168.815 o 12 2 4 409.147 397.486 22.023 9.614 o 12 2 5 14.135 23.295 7.113 181.970 o 12 2 6 132.178 111.416 11.828 39.082 o 12 2 7 12.791 7.048 11.911 87.046 o 12 2 8 59.072 34.559 8.339 93.492 o 12 2 9 1.462 -7.111 9.961 136.139 o 12 2 10 41.722 39.620 11.635 69.708 o 12 2 11 79.412 87.010 11.759 51.115 o 12 3 0 18.675 36.907 9.456 109.238 o 12 3 1 126.398 127.319 13.777 33.966 o 12 3 2 69.515 85.221 9.753 64.548 o 12 3 3 0.438 6.567 6.058 340.895 o 12 3 4 328.367 336.967 21.311 11.744 o 12 3 5 12.867 16.355 8.031 162.016 o 12 3 6 314.578 321.234 16.232 14.662 o 12 3 7 198.114 163.363 12.755 27.269 o 12 3 8 119.786 106.279 10.979 43.938 o 12 3 9 60.678 64.130 10.111 69.440 o 12 3 10 43.113 45.469 11.755 67.182 o 12 3 11 3.673 -3.580 7.724 217.028 o 12 4 0 199.092 231.847 15.021 22.120 o 12 4 1 25.979 38.315 7.753 131.475 o 12 4 2 155.688 169.162 11.927 32.284 o 12 4 3 144.025 138.168 10.849 37.840 o 12 4 4 191.322 187.998 13.597 25.709 o 12 4 5 56.879 84.125 10.881 62.148 o 12 4 6 114.544 76.410 12.053 44.036 o 12 4 7 321.879 285.925 16.687 14.734 o 12 4 8 0.138 3.530 6.950 273.446 o 12 4 9 105.935 88.397 12.839 41.838 o 12 4 10 0.920 -6.172 21.789 28.793 o 12 4 11 67.804 90.727 11.978 52.326 o 12 5 0 31.385 44.739 8.600 107.921 o 12 5 1 13.264 25.521 7.830 158.862 o 12 5 2 29.568 34.395 7.823 128.086 o 12 5 3 56.666 65.721 8.616 82.679 o 12 5 4 0.550 -0.827 7.741 226.585 o 12 5 5 527.618 518.531 60.566 2.724 o 12 5 6 22.374 23.763 9.705 107.625 o 12 5 7 264.463 230.501 16.521 17.738 o 12 5 8 126.036 114.031 15.116 31.649 o 12 5 9 43.654 35.009 13.057 59.237 o 12 5 10 15.952 13.690 14.831 56.657 o 12 5 11 0.214 3.259 7.779 220.068 o 12 6 0 6.640 -9.910 7.222 234.546 o 12 6 1 134.303 143.805 13.657 32.500 o 12 6 2 2.158 1.012 6.590 298.295 o 12 6 3 82.311 89.252 9.166 62.700 o 12 6 4 19.752 34.444 8.359 129.619 o 12 6 5 46.274 27.119 8.125 109.284 o 12 6 6 162.680 153.316 13.476 29.628 o 12 6 7 6.414 12.376 12.822 77.679 o 12 6 8 183.943 147.754 13.589 27.848 o 12 6 9 49.123 39.785 16.896 38.628 o 12 6 10 19.624 18.962 9.244 120.768 o 12 6 11 10.456 2.606 17.985 40.932 o 12 7 0 128.489 143.572 14.299 31.746 o 12 7 1 2.380 10.372 8.264 181.642 o 12 7 2 211.412 206.256 15.967 21.145 o 12 7 3 1.685 -17.972 6.204 341.807 o 12 7 4 226.153 204.672 16.914 19.540 o 12 7 5 4.407 -11.911 8.470 180.530 o 12 7 6 197.552 172.647 20.206 18.165 o 12 7 7 108.090 106.696 12.041 42.590 o 12 7 8 1.874 15.526 9.999 125.591 o 12 7 9 133.099 94.398 51.344 4.827 o 12 7 10 20.288 11.426 9.231 124.399 o 12 8 0 74.650 73.476 11.882 53.210 o 12 8 1 38.639 53.708 8.956 94.135 o 12 8 2 15.639 14.363 8.558 144.147 o 12 8 3 86.701 78.201 10.785 54.919 o 12 8 4 26.698 39.779 9.998 94.116 o 12 8 5 85.939 75.982 11.427 52.385 o 12 8 6 32.549 21.816 15.935 46.223 o 12 8 7 40.951 69.428 11.573 65.176 o 12 8 8 0.905 1.918 12.489 86.821 o 12 8 9 81.929 83.735 12.497 47.741 o 12 9 0 0.901 13.879 13.249 74.877 o 12 9 1 93.195 49.574 9.881 61.832 o 12 9 2 55.962 36.819 10.320 75.535 o 12 9 3 2.760 4.909 9.828 134.959 o 12 9 4 19.446 7.219 7.936 161.165 o 12 9 5 61.167 61.161 11.352 61.483 o 12 9 6 61.721 48.370 12.836 54.307 o 12 9 7 78.039 102.928 14.570 39.157 o 12 9 8 7.414 20.248 10.293 111.722 o 12 10 0 277.733 267.906 38.712 6.670 o 12 10 1 83.351 98.963 16.370 33.449 o 12 10 2 60.066 43.741 13.257 52.919 o 12 10 3 40.903 56.054 12.169 63.101 o 12 10 4 7.796 -14.220 8.270 180.876 o 12 10 5 4.999 4.920 17.233 45.049 o 12 10 6 5.221 18.601 14.825 58.645 o 12 10 7 29.783 28.932 14.262 55.540 o 13 1 1 116.455 111.852 13.580 36.533 o 13 1 2 7.371 2.710 7.907 193.664 o 13 1 3 220.135 202.361 16.602 20.169 o 13 1 4 0.466 1.381 11.584 101.230 o 13 1 5 255.842 293.865 18.000 15.872 o 13 1 6 8.289 -6.759 10.273 120.855 o 13 2 0 153.184 152.004 14.230 29.209 o 13 2 1 146.270 121.055 17.584 25.135 o 13 2 2 129.249 133.577 17.269 26.361 o 13 2 3 48.550 32.885 9.581 87.484 o 13 2 4 112.220 117.920 18.285 26.172 o 13 2 5 15.014 24.888 8.246 145.213 o 13 2 6 25.458 43.231 9.963 94.249 o 13 2 7 36.340 29.714 9.881 92.578 o 13 3 0 13.400 19.262 10.372 105.706 o 13 3 1 56.048 58.694 22.208 23.609 o 13 3 2 31.529 35.964 15.077 49.640 o 13 3 3 79.567 48.249 11.091 59.450 o 13 3 4 17.473 6.388 8.250 156.095 o 13 3 5 2.666 5.231 9.013 158.913 o 13 3 6 4.805 9.968 10.004 125.314 o 13 3 7 47.919 59.131 11.767 63.217 o 13 3 8 24.545 22.420 9.024 118.056 o 13 4 0 26.515 22.314 18.948 34.622 o 13 4 1 2.728 -3.957 8.192 196.603 o 13 4 2 6.248 5.416 7.739 200.499 o 13 4 3 124.183 139.907 13.189 34.874 o 13 4 4 51.985 27.701 9.496 87.889 o 13 4 5 190.262 150.375 16.134 23.671 o 13 4 6 47.857 44.092 17.941 34.945 o 13 4 7 108.057 113.012 14.111 36.074 o 13 4 8 24.031 35.873 9.061 111.400 o 13 5 0 0.694 -13.255 17.726 43.493 o 13 5 1 154.340 134.044 14.564 29.285 o 13 5 2 0.182 0.813 11.429 104.397 o 13 5 3 0.954 11.894 8.159 187.507 o 13 5 4 99.044 99.707 12.296 43.872 o 13 5 5 39.269 33.714 12.685 63.306 o 13 5 6 100.397 93.609 15.175 35.191 o 13 5 7 28.436 34.828 23.775 22.449 o 13 5 8 117.302 108.811 15.586 31.662 o 13 6 0 116.974 115.587 16.199 30.039 o 13 6 1 10.052 13.207 10.033 117.603 o 13 6 2 60.252 54.229 13.315 51.427 o 13 6 3 18.324 20.778 12.429 75.235 o 13 6 4 31.870 26.313 11.965 73.191 o 13 6 5 55.203 42.390 10.268 75.076 o 13 6 6 58.566 62.871 12.458 55.416 o 13 6 7 69.738 84.367 11.625 54.357 o 13 7 0 4.274 8.405 8.569 168.272 o 13 7 1 0.641 -3.855 12.154 92.333 o 13 7 2 1.119 -3.857 8.137 203.600 o 13 7 3 64.103 44.287 9.504 76.893 o 13 7 4 95.263 109.662 12.970 41.417 o 13 7 5 68.552 80.840 19.560 27.610 o 13 7 6 71.761 64.542 11.293 58.209 o 13 7 7 33.918 33.191 11.452 75.770 o 13 8 0 10.837 28.716 17.115 43.199 o 13 8 1 20.316 19.259 12.340 75.641 o 13 8 2 1.805 8.150 10.934 109.497 o 13 8 3 106.886 120.017 19.118 24.946 o 13 8 4 16.359 33.170 10.253 100.051 o 13 8 5 152.712 161.753 14.278 28.748 o ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-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_refinement_flags_posn Cu02 Cu 0.38262(3) 0.11471(3) 0.48608(2) 0.03386(9) Uani 1.000000 . Cl1 Cl 0.73146(8) 0.15634(7) 0.39574(5) 0.04420(17) Uani 1.000000 . O3 O 0.49057(18) -0.04285(16) 0.42373(12) 0.0318(4) Uani 1.000000 . O4 O 0.5836(3) 0.1864(2) 0.39105(19) 0.0648(7) Uani 1.000000 . O5 O 0.7847(3) 0.0259(3) 0.3982(3) 0.0920(10) Uani 1.000000 . O6 O 0.7505(4) 0.2054(3) 0.4800(2) 0.0877(10) Uani 1.000000 . O7 O 0.7991(4) 0.2014(4) 0.3169(2) 0.1110(14) Uani 1.000000 . N4 N 0.2457(2) 0.1541(2) 0.39364(18) 0.0428(6) Uani 1.000000 . H4a H 0.2810(2) 0.1970(2) 0.34736(18) 0.0514(7) Uiso 1.000000 R N3 N 0.2967(2) 0.2780(2) 0.55061(16) 0.0345(5) Uani 1.000000 . C28 C 0.5048(3) -0.0600(2) 0.32807(17) 0.0304(5) Uani 1.000000 . C27 C 0.6328(3) -0.1166(2) 0.27207(18) 0.0352(6) Uani 1.000000 . H27 H 0.7131(3) -0.1441(2) 0.29979(18) 0.0423(7) Uiso 1.000000 R C26 C 0.6424(3) -0.1325(3) 0.1751(2) 0.0425(6) Uani 1.000000 . H26 H 0.7284(3) -0.1737(3) 0.1387(2) 0.0509(8) Uiso 1.000000 R C25 C 0.5258(3) -0.0878(3) 0.1321(2) 0.0476(7) Uani 1.000000 . H25 H 0.5332(3) -0.0965(3) 0.0668(2) 0.0571(9) Uiso 1.000000 R C24 C 0.3976(3) -0.0300(3) 0.1873(2) 0.0460(7) Uani 1.000000 . H24 H 0.3190(3) 0.0015(3) 0.1584(2) 0.0552(8) Uiso 1.000000 R C23 C 0.3847(3) -0.0183(3) 0.28558(19) 0.0373(6) Uani 1.000000 . C22 C 0.2449(3) 0.0412(3) 0.3456(2) 0.0460(7) Uani 1.000000 . H22a H 0.2240(3) -0.0153(3) 0.3926(2) 0.0551(8) Uiso 1.000000 R H22b H 0.1725(3) 0.0613(3) 0.3060(2) 0.0551(8) Uiso 1.000000 R C21 C 0.1020(4) 0.2349(4) 0.4314(3) 0.0679(11) Uani 1.000000 . H21a H 0.0886(4) 0.3144(4) 0.4033(3) 0.0815(14) Uiso 1.000000 R H21b H 0.0345(4) 0.2002(4) 0.4120(3) 0.0815(14) Uiso 1.000000 R C20 C 0.0722(3) 0.2525(3) 0.5379(3) 0.0540(8) Uani 1.000000 . H20a H -0.0268(3) 0.2946(3) 0.5579(3) 0.0648(10) Uiso 1.000000 R H20b H 0.0941(3) 0.1730(3) 0.5665(3) 0.0648(10) Uiso 1.000000 R C19 C 0.1555(3) 0.3248(3) 0.5724(2) 0.0388(6) Uani 1.000000 . C18 C 0.0949(3) 0.4349(3) 0.6240(2) 0.0500(8) Uani 1.000000 . H18 H -0.0022(3) 0.4669(3) 0.6386(2) 0.0600(9) Uiso 1.000000 R C17 C 0.1774(4) 0.4966(3) 0.6533(3) 0.0574(9) Uani 1.000000 . H17 H 0.1370(4) 0.5701(3) 0.6882(3) 0.0689(10) Uiso 1.000000 R C16 C 0.3217(4) 0.4484(3) 0.6304(2) 0.0541(8) Uani 1.000000 . H16 H 0.3798(4) 0.4891(3) 0.6491(2) 0.0650(10) Uiso 1.000000 R C15 C 0.3772(3) 0.3385(3) 0.5792(2) 0.0430(6) Uani 1.000000 . H15 H 0.4741(3) 0.3054(3) 0.5640(2) 0.0516(8) Uiso 1.000000 R Cu01 Cu 0.62694(3) 0.39851(3) 0.02833(2) 0.02838(9) Uani 1.000000 . O1 O 0.45107(18) 0.51724(16) 0.08267(12) 0.0329(4) Uani 1.000000 . O2 O 0.7462(3) 0.5169(2) 0.0814(2) 0.0634(7) Uani 1.000000 . H2a H 0.8319(9) 0.4750(10) 0.078(2) 0.0952(10) Uiso 1.000000 GR H2b H 0.748(3) 0.574(2) 0.0432(14) 0.0952(10) Uiso 1.000000 GR N1 N 0.7959(2) 0.28444(19) -0.04703(15) 0.0317(4) Uani 1.000000 . N2 N 0.6306(2) 0.29139(18) 0.14294(15) 0.0308(4) Uani 1.000000 . H2 H 0.6696(2) 0.32253(18) 0.18546(15) 0.0370(5) Uiso 1.000000 R C14 C 0.4099(3) 0.5343(2) 0.17790(17) 0.0301(5) Uani 1.000000 . C13 C 0.3640(3) 0.6505(2) 0.22073(19) 0.0374(6) Uani 1.000000 . H13 H 0.3653(3) 0.7183(2) 0.18438(19) 0.0448(7) Uiso 1.000000 R C12 C 0.3164(3) 0.6657(3) 0.3175(2) 0.0434(7) Uani 1.000000 . H12 H 0.2833(3) 0.7440(3) 0.3456(2) 0.0521(8) Uiso 1.000000 R C11 C 0.3176(3) 0.5655(3) 0.3724(2) 0.0461(7) Uani 1.000000 . H11 H 0.2835(3) 0.5759(3) 0.4372(2) 0.0554(8) Uiso 1.000000 R C10 C 0.3700(3) 0.4495(3) 0.33039(19) 0.0410(6) Uani 1.000000 . H10 H 0.3741(3) 0.3817(3) 0.36785(19) 0.0492(7) Uiso 1.000000 R C9 C 0.4165(3) 0.4319(2) 0.23354(18) 0.0320(5) Uani 1.000000 . C8 C 0.4826(3) 0.3058(2) 0.18798(19) 0.0359(6) Uani 1.000000 . H8a H 0.4297(3) 0.2939(2) 0.14029(19) 0.0430(7) Uiso 1.000000 R H8b H 0.4814(3) 0.2445(2) 0.23548(19) 0.0430(7) Uiso 1.000000 R C7 C 0.7174(3) 0.1610(2) 0.1232(2) 0.0402(6) Uani 1.000000 . H7a H 0.8126(3) 0.1517(2) 0.1322(2) 0.0483(7) Uiso 1.000000 R H7b H 0.6806(3) 0.1098(2) 0.1682(2) 0.0483(7) Uiso 1.000000 R C6 C 0.7194(3) 0.1179(2) 0.0235(2) 0.0405(6) Uani 1.000000 . H6a H 0.7492(3) 0.0291(2) 0.0201(2) 0.0486(7) Uiso 1.000000 R H6b H 0.6253(3) 0.1472(2) 0.0085(2) 0.0486(7) Uiso 1.000000 R C5 C 0.8155(3) 0.1628(2) -0.04826(19) 0.0341(5) Uani 1.000000 . C4 C 0.9209(3) 0.0850(3) -0.1125(2) 0.0455(7) Uani 1.000000 . H4 H 0.9336(3) 0.0011(3) -0.1127(2) 0.0546(8) Uiso 1.000000 R C3 C 1.0065(3) 0.1315(3) -0.1761(2) 0.0543(8) Uani 1.000000 . H3 H 1.0759(3) 0.0801(3) -0.2209(2) 0.0652(10) Uiso 1.000000 R C2 C 0.9883(3) 0.2559(3) -0.1726(2) 0.0529(8) Uani 1.000000 . H2c H 1.0470(3) 0.2892(3) -0.2136(2) 0.0635(10) Uiso 1.000000 R C1 C 0.8820(3) 0.3295(3) -0.1074(2) 0.0417(6) Uani 1.000000 . H1 H 0.8695(3) 0.4132(3) -0.1052(2) 0.0500(8) Uiso 1.000000 R Cl2 Cl 0.11437(9) 0.29395(7) 0.11809(7) 0.0538(2) Uani 1.000000 . O11 O 0.2385(4) 0.2691(5) 0.0500(3) 0.1339(17) Uani 1.000000 . O8 O 0.0325(4) 0.4114(3) 0.1022(4) 0.1391(18) Uani 1.000000 . O9 O 0.0439(7) 0.2151(5) 0.1081(5) 0.208(3) Uani 1.000000 . O10 O 0.1561(4) 0.2877(5) 0.2066(3) 0.1322(17) Uani 1.000000 . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cu02 0.02948(16) 0.03289(17) 0.03231(17) 0.00353(12) -0.01099(13) -0.00160(12) Cl1 0.0508(4) 0.0469(4) 0.0331(3) -0.0135(3) -0.0041(3) -0.0049(3) O3 0.0303(9) 0.0340(9) 0.0251(8) 0.0000(7) -0.0073(7) 0.0009(7) O4 0.0514(14) 0.0636(15) 0.0734(17) -0.0075(12) -0.0150(12) 0.0155(13) O5 0.0704(18) 0.0552(16) 0.139(3) 0.0063(14) -0.0307(19) -0.0244(17) O6 0.109(2) 0.110(2) 0.0521(16) -0.044(2) -0.0149(16) -0.0264(16) O7 0.114(3) 0.199(4) 0.0521(17) -0.100(3) -0.0068(17) 0.029(2) N4 0.0334(12) 0.0431(13) 0.0483(14) -0.0008(10) -0.0178(11) -0.0019(11) N3 0.0314(11) 0.0317(11) 0.0336(11) -0.0000(9) -0.0052(9) 0.0013(9) C28 0.0344(13) 0.0307(12) 0.0268(12) -0.0098(10) -0.0080(10) 0.0026(9) C27 0.0332(13) 0.0423(14) 0.0297(13) -0.0111(11) -0.0050(10) 0.0022(11) C26 0.0434(15) 0.0505(16) 0.0327(14) -0.0161(13) -0.0005(12) -0.0016(12) C25 0.0564(18) 0.0634(19) 0.0293(14) -0.0254(16) -0.0111(13) -0.0002(13) C24 0.0480(17) 0.0581(18) 0.0370(15) -0.0174(14) -0.0192(13) 0.0011(13) C23 0.0371(14) 0.0415(14) 0.0342(14) -0.0103(11) -0.0116(11) 0.0002(11) C22 0.0373(15) 0.0513(17) 0.0496(17) -0.0090(13) -0.0168(13) -0.0008(14) C21 0.0413(17) 0.069(2) 0.079(3) 0.0153(16) -0.0293(17) -0.020(2) C20 0.0314(15) 0.0492(18) 0.074(2) -0.0042(13) -0.0030(15) -0.0026(16) C19 0.0314(13) 0.0379(14) 0.0379(14) 0.0006(11) -0.0022(11) 0.0057(11) C18 0.0365(15) 0.0441(16) 0.0549(19) 0.0040(13) 0.0019(13) -0.0045(14) C17 0.058(2) 0.0394(16) 0.061(2) 0.0020(15) -0.0034(16) -0.0125(15) C16 0.0529(19) 0.0473(17) 0.060(2) -0.0106(15) -0.0101(16) -0.0087(15) C15 0.0363(14) 0.0456(16) 0.0417(16) -0.0048(12) -0.0061(12) -0.0031(12) Cu01 0.02896(16) 0.02454(15) 0.02637(16) -0.00188(11) -0.00264(11) 0.00500(11) O1 0.0341(9) 0.0330(9) 0.0223(8) 0.0020(7) -0.0027(7) 0.0045(7) O2 0.0531(14) 0.0534(14) 0.0884(19) -0.0203(11) -0.0162(13) -0.0050(13) N1 0.0279(10) 0.0309(10) 0.0328(11) -0.0056(8) -0.0026(8) 0.0041(8) N2 0.0361(11) 0.0271(10) 0.0271(10) -0.0066(8) -0.0055(8) 0.0030(8) C14 0.0269(11) 0.0351(13) 0.0247(12) -0.0048(10) -0.0039(9) 0.0043(10) C13 0.0397(14) 0.0351(13) 0.0317(13) -0.0038(11) -0.0052(11) 0.0030(11) C12 0.0430(15) 0.0407(15) 0.0389(15) -0.0003(12) -0.0087(12) -0.0072(12) C11 0.0418(15) 0.0608(19) 0.0270(14) -0.0054(14) -0.0006(11) -0.0006(13) C10 0.0410(15) 0.0471(16) 0.0309(14) -0.0108(12) -0.0010(11) 0.0084(12) C9 0.0284(12) 0.0371(13) 0.0288(12) -0.0087(10) -0.0028(10) 0.0040(10) C8 0.0398(14) 0.0347(13) 0.0332(14) -0.0139(11) -0.0020(11) 0.0056(11) C7 0.0444(15) 0.0310(13) 0.0396(15) -0.0040(11) -0.0063(12) 0.0088(11) C6 0.0462(16) 0.0307(13) 0.0440(16) -0.0139(12) -0.0014(12) -0.0011(11) C5 0.0332(13) 0.0290(12) 0.0368(14) -0.0043(10) -0.0063(11) 0.0012(10) C4 0.0394(15) 0.0372(15) 0.0509(18) -0.0019(12) -0.0009(13) -0.0038(13) C3 0.0357(15) 0.057(2) 0.054(2) 0.0004(14) 0.0091(14) -0.0060(15) C2 0.0368(15) 0.059(2) 0.0534(19) -0.0091(14) 0.0079(14) 0.0084(15) C1 0.0345(14) 0.0394(15) 0.0478(17) -0.0090(11) -0.0028(12) 0.0073(12) Cl2 0.0538(4) 0.0441(4) 0.0668(5) -0.0160(3) -0.0181(4) 0.0107(4) O11 0.095(3) 0.201(5) 0.079(2) -0.013(3) -0.001(2) -0.011(3) O8 0.102(3) 0.068(2) 0.250(6) -0.014(2) -0.065(3) 0.048(3) O9 0.239(6) 0.138(4) 0.338(8) -0.148(5) -0.142(6) 0.075(5) O10 0.097(3) 0.223(5) 0.071(2) -0.038(3) -0.025(2) 0.017(3) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' Cl 0.14908 0.15974 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940 47.77840 -9.55740 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' Cu 0.32831 1.27084 13.33800 7.16760 5.61580 1.67350 3.58280 0.24700 11.39660 64.81260 1.19100 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' O 0.01085 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390 32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u -1 0 0 2884.21 73.39 1 0 0 2826.42 73.49 -2 0 0 774.02 22.5 -2 0 0 800.92 20.8 -2 0 0 785.52 21.7 2 0 0 763.12 21.5 2 0 0 775.82 21.2 2 0 0 798.92 20.8 2 0 0 801.82 22.2 -3 0 0 1273.77 35 -3 0 0 1280.87 33.8 -3 0 0 1284.07 33.4 3 0 0 1284.77 35.6 3 0 0 1269.97 34.6 3 0 0 1240.08 33.4 3 0 0 1251.97 34.1 -4 0 0 1209.18 32.3 -4 0 0 1197.58 34.6 -4 0 0 1217.08 32.8 4 0 0 1235.68 35.4 4 0 0 1208.68 32.5 4 0 0 1206.38 33.3 4 0 0 1228.98 34 -5 0 0 532.35 15.7 -5 0 0 549.45 18.5 -5 0 0 562.94 16.1 5 0 0 566.24 17.7 5 0 0 557.74 16 5 0 0 526.15 19.1 -6 0 0 154.18 5.7 -6 0 0 152.28 8.3 -6 0 0 143.39 5.4 6 0 0 143.29 6.9 6 0 0 165.28 7.7 6 0 0 147.79 6.1 6 0 0 156.78 8.9 -7 0 0 283.07 13.2 7 0 0 286.57 11.1 7 0 0 270.07 11.3 7 0 0 266.37 9.8 7 0 0 292.57 13.9 -8 0 0 1117.39 37.1 8 0 0 1191.28 34.9 8 0 0 1148.69 34.2 8 0 0 1098.79 37.5 9 0 0 310.37 12.8 9 0 0 281.37 11 9 0 0 292.17 15.3 9 0 0 296.27 12.8 10 0 0 55.39 7.8 10 0 0 60.79 5.8 10 0 0 46.9 4.6 10 0 0 53.79 7.9 11 0 0 83.19 6.1 11 0 0 90.79 9.9 11 0 0 105.79 10.4 11 0 0 112.89 7.6 12 0 0 41.1 9 12 0 0 44.8 6 12 0 0 55.69 7 12 -1 0 3.1 3.2 12 -1 0 3.2 3.7 12 -1 0 11.9 5.3 11 -1 0 -3.1 2.3 11 -1 0 2 2.2 11 -1 0 3.4 7.1 11 -1 0 6.1 4.7 10 -1 0 33.3 4.3 10 -1 0 38.1 7.1 10 -1 0 35.2 4.9 9 -1 0 31.8 5.2 9 -1 0 37.1 6.2 9 -1 0 45 5.2 9 -1 0 45.8 4 9 -1 0 54.39 8.5 8 -1 0 12.6 2.9 8 -1 0 16.1 2.6 8 -1 0 13.5 3 8 -1 0 20.5 4.9 8 -1 0 10 4.6 -8 1 0 15.3 4.3 7 -1 0 80.99 7.1 7 -1 0 76.99 4.2 7 -1 0 75.19 5.3 7 -1 0 78.39 7.8 7 -1 0 86.09 5.6 -7 1 0 76.19 6.6 6 -1 0 161.08 9.7 6 -1 0 153.08 7.2 6 -1 0 158.98 9.1 6 -1 0 157.88 6.1 6 -1 0 152.08 7.3 -6 1 0 148.29 8.3 5 -1 0 2.3 1.2 5 -1 0 2.8 1.2 5 -1 0 1.7 0.8 5 -1 0 0 2 -5 1 0 2.4 1.6 4 -1 0 1058.79 31.9 4 -1 0 993.4 27.4 4 -1 0 1038.7 28.9 4 -1 0 1026.7 28.7 -4 1 0 1010.5 29.6 3 -1 0 464.85 15.4 3 -1 0 460.15 13.1 3 -1 0 491.15 14.2 3 -1 0 494.95 16.3 3 -1 0 466.85 14.1 -3 1 0 473.45 14.6 -3 1 0 483.35 12.8 2 -1 0 579.94 16.8 2 -1 0 551.64 15.7 2 -1 0 555.64 15 2 -1 0 567.04 15.7 -2 1 0 564.24 14.7 -2 1 0 564.54 14.9 -2 1 0 562.74 15.9 1 -1 0 231.08 6.6 1 -1 0 235.18 6.4 1 -1 0 239.08 7.4 1 -1 0 234.28 6.8 -1 1 0 230.48 6.7 -1 1 0 233.58 6.2 -1 1 0 238.58 7.4 -1 1 0 236.18 6.5 -1 -1 0 10 0.8 -1 -1 0 9.5 0.9 -1 -1 0 12.3 0.9 -1 -1 0 10 0.9 -1 -1 0 11.2 0.9 1 1 0 11.1 0.9 1 1 0 10.8 0.8 1 1 0 11.4 0.9 1 1 0 10 0.8 1 1 0 11.7 0.9 -2 -1 0 1336.67 34.9 -2 -1 0 1270.87 35.3 -2 -1 0 1306.67 35 -2 -1 0 1386.46 34.9 2 1 0 1311.07 34.8 2 1 0 1296.57 34.7 2 1 0 1319.77 34.8 2 1 0 1320.37 35.3 -3 -1 0 2504.75 65.79 -3 -1 0 2493.45 65.29 -3 -1 0 2395.66 66.09 -3 -1 0 2468.65 65.09 3 1 0 2470.85 65.59 3 1 0 2548.55 64.99 3 1 0 2503.55 65.19 3 1 0 2579.24 65.99 -4 -1 0 522.25 16.6 -4 -1 0 516.85 17 -4 -1 0 515.25 15.8 -4 -1 0 512.15 15.4 4 1 0 523.85 16.6 4 1 0 541.95 15.9 4 1 0 514.65 15.3 4 1 0 536.05 16.5 -5 -1 0 10.2 1.9 -5 -1 0 8.9 2.5 -5 -1 0 7.1 1.7 5 1 0 10.4 1.9 5 1 0 9.8 1.6 5 1 0 11.2 2.7 5 1 0 11 2.4 -6 -1 0 -0.6 1.3 -6 -1 0 -1.5 1.5 -6 -1 0 -0.3 1 6 1 0 0 1.6 6 1 0 1.5 1.2 6 1 0 -1 1.2 -7 -1 0 2.7 1.4 -7 -1 0 2.5 1.5 7 1 0 5.1 1.9 7 1 0 2 1.3 7 1 0 2.2 2 -8 -1 0 62.99 7.3 -8 -1 0 73.59 4.3 -8 -1 0 68.09 4.1 8 1 0 79.69 5.5 8 1 0 75.99 5.9 8 1 0 74.19 6.7 8 1 0 74.39 4.6 9 1 0 89.79 7.7 9 1 0 92.19 6.7 9 1 0 117.39 6.1 9 1 0 92.39 6.8 10 1 0 9 3 10 1 0 6.4 4.1 10 1 0 9.9 2.6 11 1 0 9.6 2.8 11 1 0 9 3.8 11 1 0 5.4 4.2 12 1 0 48.3 6.1 12 1 0 55.19 8.8 12 -2 0 2.7 5.7 12 -2 0 4.5 3.2 11 -2 0 35.2 5 11 -2 0 41.8 7.7 11 -2 0 42.8 4.8 10 -2 0 99.29 9.8 10 -2 0 87.49 6.6 10 -2 0 85.09 11.5 10 -2 0 80.19 5.7 9 -2 0 59.79 9.1 9 -2 0 67.29 10 9 -2 0 57.09 6.2 9 -2 0 69.09 5.4 9 -2 0 58.09 4.5 8 -2 0 8.4 2.9 8 -2 0 15.1 3 8 -2 0 15.1 5 8 -2 0 12.3 3.7 8 -2 0 9.3 2.3 -8 2 0 14.9 4.9 7 -2 0 435.56 18.4 7 -2 0 438.86 15.9 7 -2 0 445.66 15.5 7 -2 0 425.76 19.9 7 -2 0 450.05 14.1 -7 2 0 452.85 17.6 6 -2 0 1252.17 34.3 6 -2 0 1176.38 32.6 6 -2 0 1189.58 34.6 6 -2 0 1189.48 39.3 6 -2 0 1159.78 37.1 -6 2 0 1167.58 35.8 5 -2 0 310.57 12 5 -2 0 307.47 10.8 5 -2 0 299.77 9.6 5 -2 0 303.47 14.4 5 -2 0 309.77 13 -5 2 0 300.37 11.8 4 -2 0 5.7 2.6 4 -2 0 11.2 1.4 4 -2 0 9.6 1.9 4 -2 0 7.9 2.1 4 -2 0 6.1 1.4 3 -2 0 1406.26 37.5 3 -2 0 1376.06 37.9 3 -2 0 1412.86 39.5 3 -2 0 1402.06 36.7 -3 2 0 1411.56 38.1 2 -2 0 2063.69 52.29 2 -2 0 2023.2 52.49 2 -2 0 2025.5 53.19 2 -2 0 2019.9 54.29 -2 2 0 2040.7 54.59 -2 2 0 2020.5 52.99 -2 2 0 2031.4 51.89 -2 2 0 2000.7 51.69 1 -2 0 2239.18 59.79 1 -2 0 2299.67 58.09 1 -2 0 2310.37 58.69 1 -2 0 2257.27 59.19 -1 2 0 2262.67 58.29 -1 2 0 2324.77 59.89 -1 2 0 2264.17 58.69 0 -2 0 247.08 7.5 0 -2 0 240.58 7.3 0 -2 0 241.68 7.6 0 2 0 235.08 7.4 0 2 0 249.88 6.5 0 2 0 245.18 7.6 0 2 0 245.98 7.3 -1 -2 0 3582.14 94.19 -1 -2 0 3811.62 93.79 -1 -2 0 3553.04 94.29 -1 -2 0 3689.83 93.99 1 2 0 3634.94 94.09 1 2 0 3644.84 93.89 -2 -2 0 6957.2 193.08 -2 -2 0 7131.59 271.17 2 2 0 7063.29 192.18 2 2 0 6988.6 272.87 -3 -2 0 1165.18 32.3 -3 -2 0 1162.38 32.2 -3 -2 0 1166.68 32.2 -3 -2 0 1145.09 32.9 3 2 0 1195.48 32.7 3 2 0 1188.18 32.1 3 2 0 1180.58 31.7 3 2 0 1194.78 32.8 3 2 0 1198.28 32.1 -4 -2 0 25.8 3 -4 -2 0 26.5 2.9 -4 -2 0 21.8 2.2 -4 -2 0 21.1 3 4 2 0 19.5 2.6 4 2 0 19 2.2 4 2 0 21.8 2.1 -5 -2 0 2093.69 56.99 -5 -2 0 2020.5 55.09 -5 -2 0 2037.8 55.89 -5 -2 0 2035.6 55.49 5 2 0 1992.5 54.89 5 2 0 2003.1 54.49 5 2 0 2039.8 54.79 5 2 0 2051.89 55.89 -6 -2 0 1353.26 39.8 -6 -2 0 1400.86 41.7 -6 -2 0 1369.66 39.4 -6 -2 0 1364.16 39.2 6 2 0 1432.66 38.9 6 2 0 1476.75 40.6 6 2 0 1385.86 39.4 6 2 0 1402.76 39.4 -7 -2 0 34.4 4 -7 -2 0 35.1 5.2 -7 -2 0 37.4 4.1 7 2 0 24.5 3.4 7 2 0 27.8 4 7 2 0 28.2 3.9 7 2 0 32.9 3.6 -8 -2 0 67.39 4.9 -8 -2 0 68.79 5.1 -8 -2 0 78.99 9.4 8 2 0 66.79 5.1 8 2 0 66.09 4.7 8 2 0 76.99 5.8 8 2 0 62.79 5.4 -9 -2 0 366.36 13.1 -9 -2 0 349.77 14.5 9 2 0 366.26 14.5 9 2 0 354.66 13.3 9 2 0 364.76 15 9 2 0 356.36 14.2 10 2 0 57.39 5.1 10 2 0 61.09 6.9 10 2 0 62.79 6.5 11 2 0 85.89 7.1 11 2 0 105.59 8.1 11 2 0 92.59 6.5 12 2 0 20 7.1 12 2 0 17.2 4.1 12 2 0 12.3 3.9 13 2 0 40.7 8.3 13 2 0 30.7 5.6 13 2 0 40.4 5.3 11 -3 0 12.3 5.5 11 -3 0 9.9 3.4 11 -3 0 11.5 2.9 10 -3 0 11.4 2.8 10 -3 0 11.4 4.7 10 -3 0 7.6 2.8 9 -3 0 31.1 5.9 9 -3 0 25.9 3.5 9 -3 0 22.6 3.7 9 -3 0 25.6 4.8 8 -3 0 57.69 6.4 8 -3 0 46.9 6.7 8 -3 0 50.19 4.4 8 -3 0 36.4 7.7 -8 3 0 52.99 7.1 7 -3 0 89.29 7.5 7 -3 0 94.59 5.5 7 -3 0 96.79 6.5 7 -3 0 90.59 10.7 7 -3 0 92.49 4.9 -7 3 0 82.39 7.1 6 -3 0 552.24 18.3 6 -3 0 541.35 16.1 6 -3 0 544.45 17 6 -3 0 492.35 22.3 6 -3 0 540.05 20.2 -6 3 0 519.95 18.8 5 -3 0 38.5 4.1 5 -3 0 36.8 4.6 5 -3 0 38.6 2.6 5 -3 0 49.2 7.4 5 -3 0 35.5 2.9 -5 3 0 38.7 4.3 4 -3 0 676.03 19.5 4 -3 0 665.63 20.7 4 -3 0 672.93 19.1 4 -3 0 714.73 22.5 -4 3 0 676.53 20.6 3 -3 0 258.87 9.6 3 -3 0 280.97 8.5 3 -3 0 275.47 10.7 -3 3 0 269.27 9.2 -3 3 0 290.47 11.2 2 -3 0 5.1 1.5 2 -3 0 4.8 0.7 2 -3 0 8.1 1.6 2 -3 0 5.7 1 -2 3 0 5.3 0.6 -2 3 0 5.1 0.8 -2 3 0 3 0.8 -2 3 0 7.4 1.9 1 -3 0 3.7 1.1 1 -3 0 3.5 0.8 1 -3 0 1.3 0.8 -1 3 0 2.2 1 -1 3 0 4.2 0.7 -1 3 0 5 0.9 0 -3 0 313.07 10.1 0 -3 0 325.67 10.4 0 -3 0 335.77 10 0 3 0 315.67 10.3 0 3 0 328.37 8.5 0 3 0 331.07 9.8 0 3 0 318.27 10 -1 -3 0 263.37 8.6 -1 -3 0 264.57 8.5 -1 -3 0 261.67 8 -1 -3 0 260.87 8.8 1 3 0 251.77 7.7 1 3 0 256.67 8.6 1 3 0 250.67 8.4 1 3 0 243.58 8.3 -2 -3 0 2118.19 52.09 -2 -3 0 1885.91 51.99 -2 -3 0 1916.31 51.69 -2 -3 0 1900.61 51.59 -2 -3 0 1897.81 51.89 2 3 0 1949.8 51.39 2 3 0 2015.3 51.79 2 3 0 1887.51 51.49 2 3 0 1925.21 51.69 -3 -3 0 128.69 5.8 -3 -3 0 118.39 5.7 -3 -3 0 124.89 5.4 -3 -3 0 125.69 5.7 -3 -3 0 122.89 5.4 3 3 0 123.59 6.2 3 3 0 114.49 5 3 3 0 115.79 5.3 3 3 0 114.99 5.3 -4 -3 0 83.09 4.7 -4 -3 0 94.49 4.8 -4 -3 0 90.09 4.9 -4 -3 0 86.99 5.3 4 3 0 80.79 4.7 4 3 0 77.39 4.8 4 3 0 84.69 4 4 3 0 84.59 4.5 4 3 0 79.39 4.4 -5 -3 0 257.07 11 -5 -3 0 261.07 10.2 -5 -3 0 256.57 10.2 -5 -3 0 246.38 10 5 3 0 253.97 9.6 5 3 0 271.07 9.1 5 3 0 254.67 10.2 5 3 0 269.97 10.7 5 3 0 250.57 9.7 -6 -3 0 8.5 2.4 -6 -3 0 9.5 2.4 -6 -3 0 8 2.7 -6 -3 0 15.7 3.1 6 3 0 10.2 2.4 6 3 0 6.6 1.9 6 3 0 11.7 2 6 3 0 8.8 2.3 6 3 0 9.6 2.3 -7 -3 0 162.88 8.1 -7 -3 0 175.18 9.8 -7 -3 0 158.18 8.1 -7 -3 0 160.78 8.1 7 3 0 149.59 7.7 7 3 0 175.18 8.8 7 3 0 165.68 7.2 7 3 0 157.18 7.5 -8 -3 0 2.4 2.3 -8 -3 0 3.4 2.3 8 3 0 3.8 2.7 8 3 0 2.9 2.4 8 3 0 3.3 1.9 8 3 0 2.5 1.9 -9 -3 0 25.4 4.1 -9 -3 0 28 4.1 9 3 0 31 4.1 9 3 0 36.5 4.1 9 3 0 25.9 4.2 9 3 0 29.4 4.5 -10 -3 0 2.1 2.9 -10 -3 0 -1.3 2.2 10 3 0 0.8 1.9 10 3 0 2.9 2.6 10 3 0 -0.4 2.4 -11 -3 0 27.7 4.2 -11 -3 0 26.6 3.8 11 3 0 27.9 4.3 11 3 0 23.6 5.2 11 3 0 29.2 5.1 12 3 0 8.3 3.5 12 3 0 9.7 3.1 13 3 0 3.3 3.2 13 3 0 6.6 4.2 11 -4 0 15.8 3.3 11 -4 0 13.3 3.7 10 -4 0 22 3.7 10 -4 0 19.6 5.6 9 -4 0 317.97 14.4 9 -4 0 319.27 16.6 9 -4 0 312.27 12.3 8 -4 0 133.49 8.5 8 -4 0 133.39 6.7 8 -4 0 132.39 6.8 -8 4 0 113.49 9 7 -4 0 17.5 6.2 7 -4 0 10.5 4 7 -4 0 7.7 2 7 -4 0 8.5 2 7 -4 0 8.4 3.1 -7 4 0 7.2 3 6 -4 0 11.1 2.1 6 -4 0 8.6 2.9 6 -4 0 12.3 4.6 6 -4 0 11 3 -6 4 0 9.6 3 5 -4 0 442.66 17.4 5 -4 0 453.95 14.1 5 -4 0 471.45 14.2 5 -4 0 453.85 16.2 -5 4 0 468.65 15.9 4 -4 0 418.76 12.6 4 -4 0 456.95 15.5 4 -4 0 412.26 15.7 4 -4 0 425.66 13 -4 4 0 420.06 13.9 3 -4 0 1132.49 32.6 3 -4 0 1063.39 29.8 3 -4 0 1066.29 31.4 3 -4 0 1113.49 29 -3 4 0 1091.29 30 -3 4 0 1094.79 33.1 2 -4 0 56.99 3 2 -4 0 53.09 3.9 2 -4 0 56.59 2.1 2 -4 0 47.7 3.7 -2 4 0 55.19 2.3 -2 4 0 56.39 2.4 -2 4 0 53.09 4 -2 4 0 54.79 2.5 1 -4 0 2667.53 69.19 1 -4 0 2480.25 70.09 1 -4 0 2644.54 70.19 -1 4 0 2649.33 68.89 -1 4 0 2722.63 70.69 -1 4 0 2687.43 68.49 0 -4 0 392.76 13.1 0 -4 0 400.56 12.8 0 -4 0 402.16 12.5 0 4 0 411.96 12.2 0 4 0 400.46 12.5 -1 -4 0 80.89 4.5 -1 -4 0 76.29 3.4 -1 -4 0 77.39 4.1 -1 -4 0 75.99 4 1 4 0 77.99 4 1 4 0 77.19 3.9 1 4 0 69.79 3.9 1 4 0 79.09 3.1 -2 -4 0 230.28 9.4 -2 -4 0 263.07 9.2 -2 -4 0 248.58 8.8 -2 -4 0 249.58 9.2 -2 -4 0 242.18 9.5 2 4 0 246.98 9.1 2 4 0 268.87 9.2 2 4 0 261.87 9.1 2 4 0 261.47 8.5 -3 -4 0 1829.72 51.39 -3 -4 0 1856.31 51.29 -3 -4 0 1895.71 50.99 -3 -4 0 1875.51 51.09 3 4 0 1890.61 50.49 3 4 0 1915.31 50.69 3 4 0 1840.42 50.79 3 4 0 1880.21 50.89 -4 -4 0 2741.13 71.69 -4 -4 0 2585.54 71.19 -4 -4 0 2613.74 70.69 -4 -4 0 2596.54 70.69 4 4 0 2643.24 70.99 4 4 0 2687.43 70.69 4 4 0 2660.73 70.59 4 4 0 2626.74 70.49 4 4 0 2590.34 69.79 -5 -4 0 110.29 6.4 -5 -4 0 122.59 6.3 -5 -4 0 116.49 6.9 -5 -4 0 117.59 6.4 5 4 0 111.59 6.3 5 4 0 118.89 6.3 5 4 0 111.39 5.3 5 4 0 109.09 5.9 5 4 0 115.29 5.9 -6 -4 0 21.3 3.6 -6 -4 0 24.2 3.6 -6 -4 0 17 3.4 6 4 0 23.7 3.8 -7 -4 0 268.97 13.6 -7 -4 0 312.87 12.6 -7 -4 0 300.07 12.6 -7 -4 0 306.67 12.7 7 4 0 302.97 11.7 7 4 0 291.27 12 7 4 0 298.77 13.1 7 4 0 307.57 10.5 7 4 0 304.27 12.8 -8 -4 0 604.94 20.3 -8 -4 0 607.84 22.4 -8 -4 0 575.44 20.9 8 4 0 608.04 20.1 8 4 0 607.34 18.5 8 4 0 631.74 21.6 8 4 0 582.74 20.5 -9 -4 0 109.09 7.6 -9 -4 0 107.79 7.4 9 4 0 97.39 5.2 9 4 0 107.99 6.8 9 4 0 101.29 7.3 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5 0 155.28 6 0 -5 0 439.76 15.2 0 -5 0 451.35 14.3 0 -5 0 438.56 14.7 0 5 0 450.25 14.9 0 5 0 467.65 14.2 0 5 0 452.85 13.9 -1 -5 0 136.49 6.2 -1 -5 0 127.49 5.2 -1 -5 0 149.88 6.5 -1 -5 0 123.39 6.6 1 5 0 148.09 6.2 1 5 0 142.99 6.2 1 5 0 137.19 4.7 1 5 0 145.19 6.4 -2 -5 0 353.66 12.2 -2 -5 0 358.96 11.6 -2 -5 0 326.47 12.6 -2 -5 0 351.36 12.1 -2 -5 0 340.07 12.9 2 5 0 344.67 10.8 2 5 0 358.46 12.1 2 5 0 322.77 11.7 2 5 0 327.47 11.7 -3 -5 0 852.21 24.9 -3 -5 0 819.72 25.6 -3 -5 0 825.92 24.8 -3 -5 0 800.02 25 -3 -5 0 805.72 25.3 3 5 0 816.82 24.6 3 5 0 834.82 24.8 3 5 0 866.81 24.8 3 5 0 812.32 23.9 -4 -5 0 144.39 7.6 -4 -5 0 150.28 7.6 -4 -5 0 142.89 7.3 -4 -5 0 141.59 7.6 -4 -5 0 151.78 7.2 4 5 0 142.79 6.9 4 5 0 140.49 6.8 4 5 0 149.09 6.8 4 5 0 148.99 7.1 -5 -5 0 11.5 2.9 -5 -5 0 16.7 3.1 -5 -5 0 9.4 2.4 -5 -5 0 10.2 2.7 5 5 0 8.5 2.1 5 5 0 13 2.7 5 5 0 8.8 2.1 -6 -5 0 186.78 9 -6 -5 0 170.58 9.5 -6 -5 0 186.38 9.1 -6 -5 0 181.58 9.5 6 5 0 190.08 7.7 6 5 0 181.08 8.5 6 5 0 175.48 8.7 6 5 0 183.08 8.5 6 5 0 192.18 9.2 -7 -5 0 25.4 4.5 -7 -5 0 31 4.7 -7 -5 0 27.6 4.6 -7 -5 0 30 5.3 7 5 0 21.5 4.3 7 5 0 22 3.5 7 5 0 22.2 3.6 7 5 0 21.2 3.6 7 5 0 22.5 3 -8 -5 0 16 3.9 -8 -5 0 29.3 5.2 -8 -5 0 28 4.7 8 5 0 22.5 4 8 5 0 21.2 3.7 8 5 0 24.7 4 8 5 0 29.9 3.4 -9 -5 0 2.3 2.7 -9 -5 0 -6 2.6 -9 -5 0 -1.2 3.5 9 5 0 0 1.8 9 5 0 0.1 2.1 9 5 0 2.4 2.2 -10 -5 0 7.8 3.4 10 5 0 10.2 3.2 10 5 0 6.7 3.1 10 5 0 10.2 2.3 -11 -5 0 7.4 3.9 11 5 0 11.6 3.9 11 5 0 12.1 3.8 -12 -5 0 11.6 5.9 -12 -5 0 12.7 4.5 12 5 0 5.8 3.8 12 5 0 13.5 3.6 -13 -5 0 -8.1 3.9 13 5 0 0.6 3.1 10 -6 0 13.2 2.8 10 -6 0 19.8 3.7 10 -6 0 2.7 5.1 9 -6 0 14.5 3.4 9 -6 0 20.4 5.3 9 -6 0 15 2.7 8 -6 0 31.1 4 8 -6 0 26.3 5.9 8 -6 0 37.3 3.2 8 -6 0 36.6 6.7 7 -6 0 531.35 18 7 -6 0 553.84 22.5 7 -6 0 557.94 16.6 6 -6 0 206.98 7.5 6 -6 0 206.98 11.1 6 -6 0 241.18 12.1 5 -6 0 107.89 7.8 5 -6 0 103.99 4.1 5 -6 0 109.39 7.6 5 -6 0 96.79 5.5 4 -6 0 292.37 12.8 4 -6 0 281.17 12.3 4 -6 0 276.37 8.2 4 -6 0 289.77 10.5 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661.13 21.7 -5 -6 0 609.64 22.2 -5 -6 0 663.13 22.3 -5 -6 0 631.64 21.8 -5 -6 0 662.23 22.5 5 6 0 646.84 21 5 6 0 690.93 21.5 5 6 0 619.34 21.2 5 6 0 626.04 20.9 -6 -6 0 126.99 8.4 -6 -6 0 141.39 8 -6 -6 0 131.79 8.2 -6 -6 0 146.79 8.3 6 6 0 148.49 7.8 6 6 0 135.29 7.4 6 6 0 138.09 7.6 6 6 0 126.99 7.5 -7 -6 0 22 4 -7 -6 0 12.8 3.2 -7 -6 0 16.9 3.9 -7 -6 0 25.3 4.5 7 6 0 24.8 3.9 7 6 0 22.1 4 7 6 0 15.2 3.1 7 6 0 23.1 3.7 -8 -6 0 54.19 6.6 -8 -6 0 62.29 7.5 -8 -6 0 62.59 7.2 8 6 0 66.69 5.9 8 6 0 59.69 5.3 -9 -6 0 172.08 9.6 -9 -6 0 134.59 9.7 9 6 0 155.98 8.8 -10 -6 0 107.59 9.9 -10 -6 0 130.19 9.4 -10 -6 0 113.19 7.3 10 6 0 125.29 8.8 10 6 0 127.59 8.1 -11 -6 0 47.5 7.1 -11 -6 0 58.99 9.1 11 6 0 48.5 6.5 11 6 0 54.69 6.4 -12 -6 0 -5.8 7 -12 -6 0 -2.1 4.2 12 6 0 -3.9 2.7 12 6 0 0.5 3.1 -13 -6 0 20.4 5.8 13 6 0 25.6 5.4 13 6 0 34.5 5.4 9 -7 0 4.4 4.9 9 -7 0 5.3 3.1 9 -7 0 4.2 1.9 8 -7 0 5 2.7 8 -7 0 6.4 1.8 8 -7 0 0.6 3.5 7 -7 0 4.4 1.3 7 -7 0 6.6 4.3 7 -7 0 1.7 3.5 7 -7 0 5.4 2.4 6 -7 0 10.2 2.9 6 -7 0 9.6 1.4 6 -7 0 13.1 4.6 5 -7 0 5 3.4 5 -7 0 1.6 1.9 5 -7 0 4.2 0.8 5 -7 0 4.5 3.1 4 -7 0 8 3.4 4 -7 0 4.9 2.6 4 -7 0 11.2 3.6 3 -7 0 57.99 4.3 3 -7 0 51.59 6 3 -7 0 43.2 5.3 -3 7 0 62.99 7.3 2 -7 0 18.8 3.4 2 -7 0 21.5 4 2 -7 0 13.9 2.6 -2 7 0 14.5 3.7 -2 7 0 18.7 1.9 -2 7 0 18.1 2 1 -7 0 70.59 5.1 1 -7 0 58.09 5.4 1 -7 0 64.39 4.6 -1 7 0 59.99 3.6 -1 7 0 60.59 3.9 -1 7 0 66.69 5.4 0 -7 0 920.41 28.1 0 -7 0 912.71 27.5 0 -7 0 894.61 29.1 0 7 0 921.81 26.6 0 7 0 899.61 26.6 0 7 0 929.21 28.6 -1 -7 0 34 4.4 -1 -7 0 30.8 4.1 -1 -7 0 29.6 4.6 1 7 0 30.4 3.6 1 7 0 29.2 4 1 7 0 32.2 3.7 1 7 0 30.8 1.7 -2 -7 0 458.95 15.8 -2 -7 0 427.16 15.8 -2 -7 0 402.76 16.4 -2 -7 0 438.26 17.5 -2 -7 0 433.96 14.3 2 7 0 426.16 15.4 2 7 0 448.26 15.3 2 7 0 453.85 15.3 2 7 0 442.56 13.2 -3 -7 0 481.45 18 -3 -7 0 483.75 16.7 -3 -7 0 462.55 16.8 -3 -7 0 466.25 17.7 -3 -7 0 447.06 15.8 3 7 0 469.15 16.3 3 7 0 447.96 16.1 3 7 0 467.75 14.7 3 7 0 452.85 16.2 -4 -7 0 371.46 14.5 -4 -7 0 395.06 15.5 -4 -7 0 368.36 14.7 -4 -7 0 358.86 14.3 -4 -7 0 347.07 15.1 4 7 0 380.06 14.1 4 7 0 401.06 14.3 4 7 0 369.26 13 4 7 0 367.56 14 -5 -7 0 89.09 7 -5 -7 0 95.09 7.1 -5 -7 0 98.89 7.2 -5 -7 0 99.79 7.4 -5 -7 0 106.39 6.8 5 7 0 99.39 6.1 5 7 0 101.79 6.6 5 7 0 117.99 7 5 7 0 114.29 6.6 -6 -7 0 13.4 3.7 -6 -7 0 12.6 3.3 -6 -7 0 21.9 5.1 -6 -7 0 21.5 3.9 6 7 0 12.2 2.9 6 7 0 14.7 3.2 6 7 0 15.8 3.2 6 7 0 12.8 3.1 -7 -7 0 8.9 2.8 -7 -7 0 4.7 3.3 -7 -7 0 7.6 3.7 -7 -7 0 10.4 3.1 7 7 0 10.2 2.9 7 7 0 7.9 2.7 -8 -7 0 237.08 12.2 -8 -7 0 201.38 11.5 8 7 0 225.48 10.9 8 7 0 202.28 10.4 -9 -7 0 80.59 8.8 -9 -7 0 79.89 8 9 7 0 68.39 6.2 9 7 0 75.39 6.5 -10 -7 0 7.4 4 -10 -7 0 13.5 4.7 10 7 0 9.7 3.7 10 7 0 13.3 3.7 -11 -7 0 27.1 6.2 11 7 0 39.9 6.5 11 7 0 35.7 5.8 -12 -7 0 30.3 6.3 12 7 0 39.2 6.6 12 7 0 35.4 5.5 -13 -7 0 5.4 5.3 13 7 0 3.5 3.4 13 7 0 -1.2 3.1 8 -8 0 21.3 2.1 8 -8 0 22.7 3.9 8 -8 0 33.1 6.9 7 -8 0 3.4 3.5 6 -8 0 259.07 15.2 6 -8 0 284.87 11.9 6 -8 0 278.77 14.4 5 -8 0 504.75 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186.38 9.2 -5 -8 0 63.69 5.7 -5 -8 0 68.39 8.2 -5 -8 0 54.59 5.4 -5 -8 0 58.89 5.7 -5 -8 0 66.89 8.2 5 8 0 57.59 5 5 8 0 55.89 4.5 5 8 0 56.49 5.3 5 8 0 68.49 5.7 -6 -8 0 373.26 15.5 -6 -8 0 367.76 16.1 -6 -8 0 335.77 15.5 -6 -8 0 331.57 15.5 6 8 0 345.67 14.4 6 8 0 370.26 14 -7 -8 0 150.08 9.6 -7 -8 0 129.29 8.7 7 8 0 141.49 8.3 7 8 0 144.99 8.5 -8 -8 0 148.79 10.2 -8 -8 0 157.58 10.2 8 8 0 151.58 8.9 8 8 0 149.99 9.1 -9 -8 0 5.2 4.1 -9 -8 0 4.7 3.3 9 8 0 6.1 2.5 -10 -8 0 240.98 13.6 -10 -8 0 273.97 14.7 10 8 0 275.47 12.9 10 8 0 268.87 13.4 -11 -8 0 155.88 11.3 -11 -8 0 121.39 8.4 11 8 0 133.49 9.5 11 8 0 138.69 9.8 -12 -8 0 23.2 7.4 12 8 0 17.4 4.3 12 8 0 15.8 4.7 -13 -8 0 12.4 6.5 13 8 0 4 3.7 7 -9 0 7.9 3.5 7 -9 0 12.5 4.2 6 -9 0 48.7 5.6 6 -9 0 38.2 6.2 5 -9 0 1.8 2.7 5 -9 0 9.1 3.3 4 -9 0 84.59 6.3 3 -9 0 61.49 6.1 3 -9 0 66.79 8.1 3 -9 0 61.59 5.5 2 -9 0 7.2 3 2 -9 0 2.7 2.4 2 -9 0 2.1 3.5 -2 9 0 5.8 1.4 -2 9 0 5.3 1.5 1 -9 0 5.4 2.3 1 -9 0 -0.2 1.5 1 -9 0 -1.8 2.8 -1 9 0 0.9 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3.9 -2 4 -3 41.8 2.2 -2 4 -3 42.3 4.8 -2 4 -3 42.6 2.9 2 -4 3 53.59 7 2 -4 3 38.8 3.1 2 -4 3 36 4.6 2 -4 3 41.5 3.6 -3 4 -3 22.8 1.9 -3 4 -3 22.9 3.8 -3 4 -3 22.7 3.6 -3 4 -3 24.6 2.2 3 -4 3 20.9 2.7 3 -4 3 22.1 4.6 3 -4 3 22 1.7 3 -4 3 25.9 4.3 -4 4 -3 92.59 6.9 -4 4 -3 109.99 5 -4 4 -3 102.69 4.7 -4 4 -3 116.19 6.7 4 -4 3 107.89 4.5 4 -4 3 106.09 9.7 4 -4 3 111.19 7 4 -4 3 108.49 5.7 4 -4 3 109.09 7.3 -5 4 -3 76.89 4.8 -5 4 -3 76.19 3.9 -5 4 -3 76.19 5.2 5 -4 3 84.49 6.6 5 -4 3 76.99 6.6 5 -4 3 78.89 5.5 5 -4 3 83.39 4 5 -4 3 65.09 9.1 -6 4 -3 161.48 8.2 -6 4 -3 168.18 6.4 -6 4 -3 176.68 7.7 6 -4 3 166.88 7.8 6 -4 3 172.78 10.1 6 -4 3 174.08 13.7 6 -4 3 158.78 6.6 6 -4 3 179.08 10.3 -7 4 -3 4.3 1.7 -7 4 -3 0.3 2.5 -7 4 -3 4.4 1.3 7 -4 3 5.8 2.5 7 -4 3 4.9 2.7 7 -4 3 4.2 1.6 7 -4 3 2.1 3.4 -8 4 -3 -8.3 2.8 8 -4 3 0.3 2 8 -4 3 -1.2 1.5 8 -4 3 -0.5 2.5 9 -4 3 18.8 5.8 9 -4 3 16.4 2.9 9 -4 3 14.8 3.2 10 -4 3 10.2 4.4 10 -4 3 6.7 2.7 10 -4 3 6.8 2.3 11 -4 3 21.2 7.7 11 -4 3 21.8 3.8 11 -4 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1 4 -8 1946.51 57.89 1 4 -8 1925.61 53.39 1 4 -8 1896.71 58.29 -1 -4 8 1928.71 54.09 -1 -4 8 1950.1 59.39 -1 -4 8 1902.41 56.59 -1 -4 8 1993.9 53.79 0 4 -8 1410.26 44.2 0 4 -8 1346.07 41.3 0 4 -8 1376.76 40.1 0 -4 8 1385.16 46.5 0 -4 8 1385.06 40 0 -4 8 1420.56 40.7 0 -4 8 1443.56 43.5 -1 4 -8 1.7 1.7 -1 4 -8 5.3 2.1 -1 4 -8 2.3 2.6 -1 4 -8 2.8 1.2 -1 4 -8 2.8 3.3 1 -4 8 2.5 1.9 1 -4 8 0.7 3.3 1 -4 8 2.4 1.8 -2 4 -8 546.45 21.9 -2 4 -8 520.05 18 -2 4 -8 549.25 16.9 -2 4 -8 515.05 18.8 -2 4 -8 554.54 24.6 2 -4 8 556.34 18.4 2 -4 8 530.85 18.6 2 -4 8 506.45 24.3 2 -4 8 520.15 21 -3 4 -8 452.65 15.7 -3 4 -8 423.76 14.3 -3 4 -8 461.15 19.5 -3 4 -8 430.86 22.1 3 -4 8 389.66 21.8 3 -4 8 438.86 16.3 3 -4 8 449.26 16.4 3 -4 8 447.46 19 -4 4 -8 69.09 5.1 -4 4 -8 78.69 4.6 -4 4 -8 63.39 6.4 -4 4 -8 79.19 9 4 -4 8 70.49 5.8 4 -4 8 79.19 6 -5 4 -8 4.7 2.2 -5 4 -8 4.1 1.6 -5 4 -8 3 3.4 5 -4 8 4.6 1.8 5 -4 8 2.9 2.5 5 -4 8 4.4 2.6 -6 4 -8 58.89 4.8 -6 4 -8 78.89 9.7 6 -4 8 65.49 6 6 -4 8 55.99 4.3 6 -4 8 65.09 6.4 -7 4 -8 160.68 11.5 7 -4 8 141.49 11.1 7 -4 8 138.99 7.4 7 -4 8 163.38 9.4 -8 4 -8 325.87 17.4 8 -4 8 342.27 15.4 8 -4 8 326.47 13.1 8 -4 8 361.16 17.4 -9 4 -8 49.8 7.9 9 -4 8 41.9 4.9 9 -4 8 39.5 5.7 9 -4 8 48.3 7.9 -10 4 -8 70.09 8.5 10 -4 8 58.99 7.4 10 -4 8 65.69 9.1 10 -4 8 71.79 5.6 11 3 -8 10.6 6.8 10 3 -8 0.5 4.2 10 3 -8 2.6 3.2 9 3 -8 24.3 4.8 9 3 -8 15.5 5.2 8 3 -8 3.5 3 8 3 -8 2.4 3.7 8 3 -8 5.7 3.8 7 3 -8 3.3 3.4 7 3 -8 0.8 2.5 7 3 -8 -1.4 2.5 6 3 -8 8.5 3.6 6 3 -8 8.3 4 6 3 -8 10.6 3 5 3 -8 66.69 5.3 5 3 -8 52.59 7.4 5 3 -8 67.59 6.8 5 3 -8 59.39 5.2 -5 -3 8 75.09 4.7 -5 -3 8 72.79 3.9 -5 -3 8 74.09 3.6 4 3 -8 -0.4 2.1 4 3 -8 3.1 1.7 4 3 -8 0.4 1.7 4 3 -8 -5.6 2.5 4 3 -8 -1.6 2.5 -4 -3 8 1 1.3 -4 -3 8 0.8 1.8 -4 -3 8 0.7 1.7 3 3 -8 164.28 7.6 3 3 -8 168.48 9.3 3 3 -8 166.88 11.2 3 3 -8 163.68 8 -3 -3 8 167.78 7.4 -3 -3 8 171.28 8.2 -3 -3 8 172.98 9.1 -3 -3 8 175.58 8.7 2 3 -8 1.8 2.7 2 3 -8 6.9 2.2 2 3 -8 5.5 3.2 2 3 -8 6.1 1.7 -2 -3 8 6.7 2.1 -2 -3 8 4.5 1.8 -2 -3 8 9.8 2.9 -2 -3 8 4 2.6 1 3 -8 65.59 8 1 3 -8 72.69 6.6 1 3 -8 67.19 4.3 1 3 -8 60.09 4.6 -1 -3 8 74.09 4.6 -1 -3 8 69.99 4.8 -1 -3 8 79.89 7.5 -1 -3 8 70.09 5.9 0 3 -8 58.79 4.4 0 3 -8 62.99 8.6 0 3 -8 53.49 4 0 3 -8 57.59 6.8 0 -3 8 56.39 5.1 0 -3 8 58.39 4.1 0 -3 8 57.69 5.7 0 -3 8 66.19 8.4 -1 3 -8 635.44 20.4 -1 3 -8 640.44 24 -1 3 -8 654.43 19.7 -1 3 -8 646.44 26.5 -1 3 -8 629.84 20.5 1 -3 8 643.84 20.9 1 -3 8 615.04 26 1 -3 8 664.53 20.2 1 -3 8 633.04 23 -2 3 -8 23.1 3.3 -2 3 -8 19.4 4.3 -2 3 -8 20.6 6.3 -2 3 -8 24.5 2.9 -2 3 -8 21.8 3.5 2 -3 8 15.9 4 2 -3 8 23.7 5.8 2 -3 8 24.4 3.3 2 -3 8 22.5 3.5 -3 3 -8 4.4 4.1 -3 3 -8 1 1.7 -3 3 -8 2.5 1.3 -3 3 -8 -0.2 1.6 -3 3 -8 1.9 2.9 3 -3 8 2.1 1.7 3 -3 8 -0.4 1.4 3 -3 8 0.6 2.5 3 -3 8 -1.5 3.3 -4 3 -8 107.49 8.6 -4 3 -8 119.59 6.4 -4 3 -8 113.39 11.1 -4 3 -8 103.29 5.5 -4 3 -8 98.69 8.4 4 -3 8 103.59 12.9 4 -3 8 111.59 5.9 4 -3 8 108.29 6.9 4 -3 8 122.99 8.8 4 -3 8 105.29 6.8 -5 3 -8 75.29 10.8 -5 3 -8 77.99 5.3 -5 3 -8 73.59 8.5 -5 3 -8 83.69 5.1 5 -3 8 82.89 6.1 5 -3 8 90.59 6.7 5 -3 8 84.59 5.2 -6 3 -8 136.29 13.6 -6 3 -8 111.39 9.9 -6 3 -8 119.39 6.8 -6 3 -8 130.69 7 6 -3 8 125.79 7.8 6 -3 8 106.99 8.2 6 -3 8 128.79 6.6 -7 3 -8 58.49 8.4 7 -3 8 56.29 7.1 7 -3 8 55.79 5.3 7 -3 8 49.7 4.2 -8 3 -8 5.6 4.3 8 -3 8 2.2 2 8 -3 8 4 3.9 -9 3 -8 162.38 12.4 9 -3 8 138.59 9.2 9 -3 8 130.89 10.4 9 -3 8 143.59 7.9 -10 3 -8 46.1 7.5 10 -3 8 29.6 5.1 10 -3 8 36.9 7.7 10 -3 8 31.7 4.6 -11 3 -8 20.5 6.4 11 -3 8 18.8 4.3 11 -3 8 24.4 10.2 11 -3 8 24.7 4.1 11 2 -8 46.7 5.9 11 2 -8 53.59 12.8 10 2 -8 35.9 5.2 10 2 -8 52.29 8 9 2 -8 2.2 3.7 9 2 -8 0.3 3.1 8 2 -8 130.59 7.7 8 2 -8 162.18 11.4 8 2 -8 148.99 9 7 2 -8 133.39 7.5 7 2 -8 176.98 11.8 7 2 -8 137.09 8.6 6 2 -8 240.18 13.9 6 2 -8 243.18 10.2 6 2 -8 236.58 11.1 5 2 -8 41.6 6.4 5 2 -8 43.4 4.3 5 2 -8 35.5 5.4 5 2 -8 43.5 4.5 5 2 -8 43.2 4 4 2 -8 1171.08 34.2 4 2 -8 1186.58 35.5 4 2 -8 1167.08 36.7 4 2 -8 1194.38 39.1 4 2 -8 1231.38 34.5 -4 -2 8 1192.38 32 -4 -2 8 1151.48 33.7 -4 -2 8 1198.68 32.5 3 2 -8 497.45 18.5 3 2 -8 502.35 18.6 3 2 -8 478.85 16 3 2 -8 485.05 15.7 -3 -2 8 478.75 14.9 -3 -2 8 456.15 16.3 2 2 -8 24.1 4.5 2 2 -8 27.4 2.7 2 2 -8 28.9 4.8 2 2 -8 22.4 3.1 -2 -2 8 26 3.6 -2 -2 8 18.4 2.8 -2 -2 8 28 4.5 -2 -2 8 25.2 3 1 2 -8 358.16 16.4 1 2 -8 355.26 15 1 2 -8 345.07 11.6 1 2 -8 350.76 12.5 -1 -2 8 350.06 11.9 -1 -2 8 341.17 12.3 -1 -2 8 340.57 15.4 -1 -2 8 364.96 13.8 0 2 -8 408.86 13 0 2 -8 427.46 16.8 0 2 -8 364.16 17.8 0 2 -8 370.46 13.5 0 -2 8 402.76 15.4 0 -2 8 395.26 13.8 0 -2 8 392.06 12.9 0 -2 8 402.26 17.9 -1 2 -8 1422.16 38.6 -1 2 -8 1369.56 44.7 -1 2 -8 1476.15 46.1 -1 2 -8 1314.97 38.9 -1 2 -8 1376.86 38.4 1 -2 8 1333.27 44.8 1 -2 8 1390.16 39.3 1 -2 8 1387.76 38.2 1 -2 8 1330.97 41.1 -2 2 -8 938.11 27.8 -2 2 -8 905.81 26.7 -2 2 -8 973.2 34.9 -2 2 -8 929.01 31.2 2 -2 8 921.21 27.2 2 -2 8 972.6 28.2 2 -2 8 885.21 29.9 2 -2 8 891.21 33.8 -3 2 -8 41.5 4.7 -3 2 -8 37.1 3.6 -3 2 -8 31.2 2.7 -3 2 -8 55.99 8.6 -3 2 -8 38.6 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5.5 1 6 -9 25.5 5.8 1 6 -9 32.5 4.4 -1 -6 9 44.2 8.5 -1 -6 9 35 4.8 -1 -6 9 38.2 5.2 0 6 -9 8.4 3 0 6 -9 11.6 4.6 0 6 -9 9.2 2 0 -6 9 16 6.4 0 -6 9 10.9 3.1 0 -6 9 9.7 2.8 -1 6 -9 67.59 4.5 -1 6 -9 66.39 8.3 -1 6 -9 65.99 6.1 1 -6 9 63.79 5.8 1 -6 9 67.89 6.2 -2 6 -9 48.2 7.8 -2 6 -9 62.09 4.9 2 -6 9 62.89 5.7 2 -6 9 73.89 6.4 -3 6 -9 14.1 2.5 -3 6 -9 11.5 4.9 3 -6 9 10.2 3.1 3 -6 9 9.3 3.2 -4 6 -9 44.9 4 -4 6 -9 57.29 8.6 4 -6 9 57.49 7 4 -6 9 61.89 6.1 -5 6 -9 5.6 2.1 -5 6 -9 7.9 4.8 5 -6 9 2.4 3.2 -6 6 -9 102.79 10.5 6 -6 9 125.19 8.8 6 -6 9 107.29 8.9 -7 6 -9 46.4 7.5 7 -6 9 49.2 6.6 7 -6 9 47.2 6.9 -8 6 -9 15.9 5.7 8 -6 9 13.2 4.9 8 -6 9 11.8 3.9 -9 6 -9 1.5 5.2 9 -6 9 2.3 2.5 9 -6 9 -3.2 3.3 9 -6 9 -1.1 6.7 10 5 -9 12.9 5.4 10 5 -9 8.9 4.5 9 5 -9 58.49 9.3 8 5 -9 6.8 3.9 8 5 -9 6.9 4.7 7 5 -9 129.19 9.8 7 5 -9 108.39 10.3 -7 -5 9 120.39 6.4 -7 -5 9 108.99 7.2 6 5 -9 366.76 17.5 6 5 -9 387.96 19.2 -6 -5 9 394.06 15.6 -6 -5 9 348.57 15.6 5 5 -9 617.84 22.5 5 5 -9 722.73 26.5 5 5 -9 692.03 27.3 -5 -5 9 653.43 21.3 -5 -5 9 687.73 22 -5 -5 9 661.93 23.9 -4 -5 9 42.1 6.2 3 5 -9 420.76 19.3 -3 -5 9 427.16 19.1 -3 -5 9 447.06 17 -3 -5 9 455.85 16.4 2 5 -9 684.83 22.4 2 5 -9 643.74 23.2 2 5 -9 720.73 26.9 -2 -5 9 687.93 22.9 -2 -5 9 659.73 26.8 -2 -5 9 714.63 23.2 -2 -5 9 683.23 25.4 1 5 -9 1061.29 35.2 1 5 -9 938.81 30.4 1 5 -9 999.2 30.3 -1 -5 9 950.2 33.3 -1 -5 9 934.21 35.9 -1 -5 9 997.2 30.5 -1 -5 9 970.7 30.6 0 5 -9 15 3.1 0 5 -9 12.5 4.5 0 5 -9 15 3.2 0 5 -9 14.3 2.5 0 -5 9 11.9 4 0 -5 9 7.4 5.6 0 -5 9 11.5 2.8 0 -5 9 13.3 3.3 -1 5 -9 69.09 6.8 -1 5 -9 92.29 10.6 1 -5 9 88.79 6.5 1 -5 9 78.19 9.9 1 -5 9 102.59 12.9 1 -5 9 98.69 6.5 -2 5 -9 295.27 13.6 -2 5 -9 323.37 16.8 2 -5 9 343.47 13.9 2 -5 9 308.87 13.1 -3 5 -9 505.05 16.3 -3 5 -9 484.05 21.8 -3 5 -9 461.05 19.2 3 -5 9 501.55 18.4 3 -5 9 496.95 18.6 -4 5 -9 69.39 4.7 -4 5 -9 73.79 9.5 4 -5 9 83.29 6.8 4 -5 9 83.69 6.8 -5 5 -9 35.9 4 -5 5 -9 34.5 7.2 5 -5 9 44 6.1 5 -5 9 29.1 4.6 -6 5 -9 370.26 18.8 6 -5 9 379.86 19.1 -7 5 -9 409.66 20 7 -5 9 401.56 17.4 7 -5 9 399.26 18.6 7 -5 9 397.16 15 -8 5 -9 18.2 5.9 8 -5 9 28.7 3.9 8 -5 9 23.6 5.6 8 -5 9 24.4 5.1 -9 5 -9 21.1 5.9 9 -5 9 24.8 5.1 9 -5 9 17.8 3.7 9 -5 9 28.2 5.9 -10 5 -9 48.3 8.2 10 -5 9 54.59 8.6 10 -5 9 41 5.2 10 -5 9 43.4 7.2 10 4 -9 -7.1 4.4 9 4 -9 -4.4 4.4 9 4 -9 0 3.4 8 4 -9 21.3 4.7 8 4 -9 13.2 5.2 7 4 -9 5 5.1 7 4 -9 11 4.3 6 4 -9 9.2 4.3 6 4 -9 13.4 4.6 -6 -4 9 15.1 2.5 5 4 -9 20.5 3.7 5 4 -9 29 5.9 5 4 -9 23.9 3.9 5 4 -9 28.4 6 -5 -4 9 24.1 3.2 -5 -4 9 22.5 3.2 -5 -4 9 23.6 4 4 4 -9 0.9 3 4 4 -9 0.6 2.1 4 4 -9 2 3 4 4 -9 0.8 1.9 -4 -4 9 1.7 2.5 -4 -4 9 0.4 1.6 -4 -4 9 0.7 2.6 3 4 -9 0.7 1.7 3 4 -9 0.9 2.5 3 4 -9 1 1.8 -3 -4 9 -0.6 2.5 -3 -4 9 0 1.9 -3 -4 9 1.1 1.7 -3 -4 9 -0.3 2.5 2 4 -9 281.27 12 2 4 -9 282.37 11.3 2 4 -9 308.77 15.1 2 4 -9 313.27 15.2 -2 -4 9 281.37 14.8 -2 -4 9 291.27 13.7 -2 -4 9 294.27 12 -2 -4 9 295.57 13.3 1 4 -9 8 2.3 1 4 -9 9.9 2.3 1 4 -9 9.5 3.8 -1 -4 9 9.2 3.5 -1 -4 9 14.1 3.7 -1 -4 9 10.4 2.7 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2428.26 69.29 0 3 -9 2311.77 71.59 0 -3 9 2290.47 70.99 0 -3 9 2423.86 64.19 0 -3 9 2447.96 65.19 0 -3 9 2341.87 67.49 -1 3 -9 646.44 27 -1 3 -9 623.04 20.7 -1 3 -9 636.94 19.9 -1 3 -9 619.24 24.3 -1 3 -9 644.44 20.5 1 -3 9 651.63 20.2 1 -3 9 626.04 23.3 1 -3 9 607.04 26.3 1 -3 9 653.93 21.1 -2 3 -9 187.18 8.9 -2 3 -9 198.18 8.1 -2 3 -9 190.78 13.9 -2 3 -9 188.58 11.9 -2 3 -9 190.68 8.8 2 -3 9 178.68 13.1 2 -3 9 179.58 10.9 2 -3 9 193.08 8.6 2 -3 9 185.48 9.1 -3 3 -9 65.39 5.5 -3 3 -9 86.99 11.6 -3 3 -9 66.79 8.4 -3 3 -9 77.69 5.4 3 -3 9 67.59 5.2 3 -3 9 63.89 9.9 3 -3 9 73.59 5.7 3 -3 9 67.19 7.4 -4 3 -9 508.35 18.2 -4 3 -9 581.44 27.3 -4 3 -9 564.54 22.9 -4 3 -9 511.85 17.3 -4 3 -9 532.35 20.1 4 -3 9 545.05 19.3 4 -3 9 548.15 19.3 -5 3 -9 154.78 7.4 -5 3 -9 142.19 13.7 -5 3 -9 136.09 10.9 5 -3 9 145.19 8.5 5 -3 9 145.49 7.4 5 -3 9 165.18 9.2 -6 3 -9 3 4.7 -6 3 -9 1.5 3.3 6 -3 9 5.4 2.8 6 -3 9 0 1.9 6 -3 9 1.3 1.7 -7 3 -9 47.9 8.4 7 -3 9 21.5 4.9 7 -3 9 31.4 4 7 -3 9 33.3 5.3 -8 3 -9 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5.7 -3 -1 -17 25.5 9.8 -3 -1 -17 25.2 7.4 3 1 17 30.9 5.2 -4 -1 -17 9.7 5.7 -4 -1 -17 5.5 8.2 -5 -1 -17 16.5 7 -5 -1 -17 7.6 8.7 5 1 17 16 2.6 5 1 17 17.6 4.9 -6 -1 -17 60.19 14.2 -6 -1 -17 39.5 9.7 6 1 17 40.6 6.1 6 1 17 50.09 4.8 -7 -1 -17 56.09 12.8 -7 -1 -17 43.1 14.7 7 1 17 58.69 7.8 7 1 17 64.19 6.2 3 -2 -17 25.1 11.3 3 -2 -17 26.2 8.9 2 -2 -17 19.8 7.2 2 -2 -17 18.1 9.9 1 -2 -17 1.8 8.9 1 -2 -17 -10.6 4.4 0 -2 -17 73.49 10.3 0 -2 -17 71.29 13.6 -1 -2 -17 36.3 8.1 -1 -2 -17 35 11 1 2 17 36.1 4.3 -2 -2 -17 64.69 14.3 -2 -2 -17 49.1 8.6 2 2 17 80.59 8 2 2 17 62.39 6.2 -3 -2 -17 3.8 5.7 -3 -2 -17 -0.6 7.3 3 2 17 4.7 3.2 -4 -2 -17 134.39 15.2 -4 -2 -17 110.09 17.7 4 2 17 133.49 9.3 -5 -2 -17 41.6 8.7 -5 -2 -17 51.19 12.2 5 2 17 27.6 5.7 -6 -2 -17 -11.3 8.3 -6 -2 -17 -7.6 5.4 6 2 17 -1 2.2 6 2 17 -3.2 3.1 -7 -2 -17 -16.5 11.6 7 2 17 -3.2 2.8 7 2 17 -1.5 3.4 -8 -2 -17 0.5 7.3 -8 -2 -17 17.9 10.9 8 2 17 0.1 5.2 8 2 17 10.5 4.2 2 -3 -17 16.7 9.6 2 -3 -17 -14.8 5.3 1 -3 -17 -4.4 5.2 1 -3 -17 13.4 8.9 0 -3 -17 6.5 5.5 0 -3 -17 8.2 8.4 -1 -3 -17 27.2 9.1 -1 -3 -17 17.6 6.8 -2 -3 -17 -6.6 4.8 -2 -3 -17 -7.6 7.9 2 3 17 -5.1 4.4 2 3 17 0.7 2.9 -3 -3 -17 16.4 10.6 -3 -3 -17 7.1 5.4 3 3 17 13.2 3.8 -4 -3 -17 47.7 12.9 -4 -3 -17 51.89 9.6 4 3 17 30.5 5.8 -5 -3 -17 55.89 10.1 -5 -3 -17 59.89 14.9 5 3 17 38.6 6 -6 -3 -17 -7.4 9 -6 -3 -17 0.7 6.6 6 3 17 0.1 3.5 -7 -3 -17 15.3 12.4 -7 -3 -17 4.2 8.6 7 3 17 2.5 2.7 7 3 17 -0.5 3.8 -8 -3 -17 3.2 11 -8 -3 -17 5.8 7.5 8 3 17 5.8 3.7 1 -4 -17 40.6 11.1 0 -4 -17 11.6 9.3 0 -4 -17 3.1 4.9 -1 -4 -17 18.5 6.1 -1 -4 -17 13.8 9 -2 -4 -17 44.4 8.8 -2 -4 -17 56.29 13.7 -3 -4 -17 5.6 5.2 -3 -4 -17 0.7 8.5 3 4 17 4.6 3.2 3 4 17 4.5 4.7 -4 -4 -17 14 8.4 -4 -4 -17 5.6 6 4 4 17 10.9 3.9 -5 -4 -17 0.4 8 -5 -4 -17 -5.9 5 5 4 17 3.9 3.7 -6 -4 -17 54.39 15 -6 -4 -17 44 9.5 6 4 17 53.79 7 -7 -4 -17 55.99 10.8 -7 -4 -17 44.6 13.5 7 4 17 36.8 6.3 7 4 17 53.59 5.3 0 -5 -17 0.7 5.7 0 -5 -17 12.2 9.2 -1 -5 -17 5 7.9 -1 -5 -17 6.8 6 -2 -5 -17 32.4 10 -2 -5 -17 28.8 7.6 -3 -5 -17 22.7 10.5 -3 -5 -17 2.2 5.3 3 5 17 9.3 3.3 -4 -5 -17 -19.5 8.3 -4 -5 -17 0.9 5.7 4 5 17 -2.5 3.1 -5 -5 -17 12.5 6.7 -5 -5 -17 3.2 10.2 5 5 17 5 3.8 -6 -5 -17 34.8 8 -6 -5 -17 38.8 15.5 6 5 17 34.1 5.8 -7 -5 -17 25.4 12.5 -7 -5 -17 13.5 8 7 5 17 10.6 4.6 -1 -6 -17 37.6 12.1 -1 -6 -17 36.8 8.2 -2 -6 -17 2.6 9.5 -2 -6 -17 14.8 7.4 -3 -6 -17 39 8.5 -3 -6 -17 28.4 11.1 3 6 17 21.6 5.6 -4 -6 -17 56.69 10.3 -4 -6 -17 76.89 20 4 6 17 55.99 5.8 -5 -6 -17 17.4 7.6 -5 -6 -17 -8.3 9.8 -6 -6 -17 5.4 11.3 6 6 17 5.6 4 -3 -7 -17 26.7 12.8 -3 -7 -17 17.7 6.6 -4 -7 -17 9.8 11.6 -4 -7 -17 19.6 7.9 4 7 17 13.8 3.6 -5 -7 -17 7.1 6.6 -5 -7 -17 17.3 11 1 4 -18 11.6 9.7 -1 -4 18 16.2 5.2 0 4 -18 -9.9 7.5 0 -4 18 5.4 3.5 0 -4 18 -3.5 3.9 -1 4 -18 17.9 8.1 -1 4 -18 52.49 12 1 -4 18 28.2 5.2 1 -4 18 24.4 5.5 -2 4 -18 74.79 12.1 -2 4 -18 66.29 13.3 2 -4 18 76.59 7.3 2 -4 18 106.39 9.6 -3 4 -18 41.9 9.3 -3 4 -18 51.69 18.5 3 -4 18 23.5 5.1 3 -4 18 27.3 6 -2 -3 18 8.9 3.5 1 3 -18 22.3 7.7 1 3 -18 15.8 8.9 -1 -3 18 9.8 3.9 0 3 -18 18 9.8 0 3 -18 19.3 8.2 0 -3 18 11.1 4.5 -1 3 -18 2.8 9.1 -1 3 -18 21.6 8.1 1 -3 18 14.6 4.6 -2 3 -18 9.1 9.7 -2 3 -18 -0.3 11.7 2 -3 18 14.1 4.8 2 -3 18 13.4 3.8 -3 3 -18 15.9 7.6 -3 3 -18 6.2 8.5 3 -3 18 0.5 3.2 3 -3 18 10.5 4.7 -4 3 -18 24.7 14.2 -4 3 -18 10.8 8.3 4 -3 18 12.9 4 4 -3 18 22.6 5.8 2 2 -18 35.5 9 2 2 -18 45.5 10.4 1 2 -18 56.29 10.3 1 2 -18 65.69 12.1 -1 -2 18 49.99 5.6 0 2 -18 49.4 11.1 0 2 -18 53.49 9.7 0 -2 18 52.79 6.5 -1 2 -18 -1.1 7.6 -1 2 -18 3.3 6.7 1 -2 18 2.6 3.9 -2 2 -18 9.1 8.4 -2 2 -18 8.3 7.1 2 -2 18 18 3.1 2 -2 18 13 4.4 -3 2 -18 16.5 10.5 -3 2 -18 18.3 8.4 3 -2 18 15.3 4.3 -4 2 -18 45.1 10.4 -4 2 -18 37.2 12.2 4 -2 18 40.7 6.5 -5 2 -18 -0.5 7 -5 2 -18 16.9 10.3 5 -2 18 13.7 4.5 2 1 -18 15.9 9.5 2 1 -18 19.1 7.1 1 1 -18 37.2 10.3 1 1 -18 44.9 10.7 0 1 -18 28.1 9.9 0 1 -18 43 9.7 0 -1 18 26.6 4.6 -1 1 -18 22.2 9.1 -1 1 -18 16 6.9 1 -1 18 10.1 4.3 -2 1 -18 80.19 13.5 -2 1 -18 102.59 13.7 2 -1 18 108.29 8.5 -3 1 -18 47.2 11.1 -3 1 -18 58.29 11 3 -1 18 44.5 6.3 3 -1 18 42.2 3.8 -4 1 -18 -4.7 8.9 -4 1 -18 2.9 10.4 4 -1 18 1.5 2.6 4 -1 18 -2.4 3.6 -5 1 -18 22 13 -5 1 -18 44.7 10.1 5 -1 18 22.5 4.2 5 -1 18 32.6 6.6 2 0 -18 8.7 9.5 2 0 -18 0.9 7.9 1 0 -18 -4.3 8.5 1 0 -18 18.2 7.5 0 0 -18 -8.3 6.4 0 0 -18 11.7 8 0 0 18 4.5 3 -1 0 -18 83.59 11.4 -1 0 -18 75.99 14 1 0 18 89.09 7.7 -2 0 -18 53.49 9.8 -2 0 -18 56.49 12 2 0 18 39.9 6.4 -3 0 -18 9.7 9.1 -3 0 -18 13 7 3 0 18 8.4 4.2 -4 0 -18 29.1 7 -4 0 -18 22.6 11.1 4 0 18 19.8 4.9 4 0 18 27.7 2.7 5 0 18 17.4 3.1 5 0 18 21 5.3 -6 0 -18 -2.6 7 -6 0 -18 -4.3 8.6 6 0 18 -1.4 2.9 6 0 18 -1.2 4.1 1 -1 -18 31.9 7.9 1 -1 -18 10.2 9.6 0 -1 -18 30.1 8.3 0 -1 -18 31.5 10.9 -1 -1 -18 8.2 6.1 -1 -1 -18 14.8 9.2 1 1 18 12.1 3.5 -2 -1 -18 -5.1 5.5 -2 -1 -18 -1.1 8.4 2 1 18 -1.1 3.4 -3 -1 -18 48 11.6 -3 -1 -18 40.4 8.9 3 1 18 47.7 6.9 -4 -1 -18 60.69 10.9 -4 -1 -18 51.99 13.8 4 1 18 53.59 6.8 5 1 18 95.09 8.5 -6 -1 -18 0 9.8 -6 -1 -18 6.3 7.5 6 1 18 2.2 4.5 6 1 18 2.3 2.9 1 -2 -18 -1.8 9.2 1 -2 -18 2 6.7 0 -2 -18 8.2 8.4 0 -2 -18 0.2 6.3 -1 -2 -18 -0.2 8.4 -1 -2 -18 4.3 5.4 -2 -2 -18 4.7 8.7 -2 -2 -18 4.7 5.5 2 2 18 3.3 3.1 -3 -2 -18 9.1 10.4 -3 -2 -18 27.5 7.6 3 2 18 12.6 4.5 -4 -2 -18 37.4 12.3 -4 -2 -18 51.69 10.4 4 2 18 51.69 6.7 -5 -2 -18 16.8 11.7 -6 -2 -18 -2.3 9.8 -6 -2 -18 7.2 7 6 2 18 3.8 3.8 0 -3 -18 12.2 10.5 0 -3 -18 0.6 6.6 -1 -3 -18 30.2 7.8 -1 -3 -18 39.1 12.2 -2 -3 -18 109.99 17.8 -2 -3 -18 105.79 13.2 2 3 18 105.89 7 -3 -3 -18 28.3 7.7 -3 -3 -18 23.1 11.6 3 3 18 19 4.6 -4 -3 -18 3.3 9.2 -4 -3 -18 19.6 7.8 4 3 18 11.5 4.2 -5 -3 -18 43 15.7 -5 -3 -18 43 17.6 5 3 18 45 6.4 -6 -3 -18 18.2 8.1 -6 -3 -18 48.5 14.4 6 3 18 42.8 6.4 -1 -4 -18 31.7 7.8 -1 -4 -18 29.1 11.7 -2 -4 -18 -4.1 9.1 -2 -4 -18 5.4 6.4 2 4 18 7.1 3.3 -3 -4 -18 21 8 -3 -4 -18 24.9 11 3 4 18 19.8 4.2 -4 -4 -18 31.1 8.1 4 4 18 34.1 5.6 -5 -4 -18 0.7 10 5 4 18 10.7 4.4 -2 -5 -18 10 6.8 -3 -5 -18 21.9 8 -3 -5 -18 0.8 11.5 3 5 18 13.7 3.4 -4 -5 -18 69.59 16.6 -4 -5 -18 66.19 11.4 4 5 18 52.29 6.1 2 -1 19 -4.9 4.1 -2 0 -19 27.6 11.2 2 0 19 35.4 6.1 -3 0 -19 76.59 12.8 3 0 19 79.09 8.7 -2 -1 -19 47.8 10.3 -2 -1 -19 23.9 12.1 2 1 19 31.6 5.4 -3 -1 -19 -0.9 11 3 1 19 8.2 4.5 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 N4 Cu02 O3 93.47(8) . . ? N4 Cu02 O3 168.04(9) . 2_656 ? N3 Cu02 O3 172.51(9) . . ? N3 Cu02 O3 97.03(8) . 2_656 ? N3 Cu02 N4 92.00(9) . . ? O5 Cl1 O4 106.72(17) . . ? O6 Cl1 O4 110.37(19) . . ? O6 Cl1 O5 107.9(2) . . ? O7 Cl1 O4 109.8(2) . . ? O7 Cl1 O5 111.6(3) . . ? O7 Cl1 O6 110.4(2) . . ? C28 O3 Cu02 121.11(15) . . ? C28 O3 Cu02 131.42(15) . 2_656 ? H4a N4 Cu02 105.50(8) . . ? C22 N4 Cu02 110.98(17) . . ? C22 N4 H4a 105.50(17) . . ? C21 N4 Cu02 115.9(2) . . ? C21 N4 H4a 105.5(2) . . ? C21 N4 C22 112.5(3) . . ? C19 N3 Cu02 119.89(19) . . ? C15 N3 Cu02 120.43(18) . . ? C15 N3 C19 119.5(2) . . ? C27 C28 O3 122.5(2) . . ? C23 C28 O3 118.2(2) . . ? C23 C28 C27 119.3(2) . . ? H27 C27 C28 119.72(15) . . ? C26 C27 C28 120.6(3) . . ? C26 C27 H27 119.72(17) . . ? H26 C26 C27 119.71(17) . . ? C25 C26 C27 120.6(3) . . ? C25 C26 H26 119.71(18) . . ? H25 C25 C26 120.36(18) . . ? C24 C25 C26 119.3(3) . . ? C24 C25 H25 120.36(17) . . ? H24 C24 C25 119.53(17) . . ? C23 C24 C25 120.9(3) . . ? C23 C24 H24 119.53(17) . . ? C24 C23 C28 119.3(3) . . ? C22 C23 C28 119.9(2) . . ? C22 C23 C24 120.9(3) . . ? C23 C22 N4 110.3(2) . . ? H22a C22 N4 109.60(17) . . ? H22a C22 C23 109.60(17) . . ? H22b C22 N4 109.60(14) . . ? H22b C22 C23 109.60(15) . . ? H22b C22 H22a 108.1 . . ? H21a C21 N4 108.7(2) . . ? H21b C21 N4 108.75(18) . . ? H21b C21 H21a 107.6 . . ? C20 C21 N4 114.0(3) . . ? C20 C21 H21a 108.7(2) . . ? C20 C21 H21b 108.7(2) . . ? H20a C20 C21 109.18(17) . . ? H20b C20 C21 109.2(2) . . ? H20b C20 H20a 107.9 . . ? C19 C20 C21 112.1(3) . . ? C19 C20 H20a 109.18(16) . . ? C19 C20 H20b 109.18(17) . . ? C20 C19 N3 116.6(2) . . ? C18 C19 N3 120.1(3) . . ? C18 C19 C20 123.2(3) . . ? H18 C18 C19 119.88(19) . . ? C17 C18 C19 120.2(3) . . ? C17 C18 H18 119.88(18) . . ? H17 C17 C18 120.35(18) . . ? C16 C17 C18 119.3(3) . . ? C16 C17 H17 120.3(2) . . ? H16 C16 C17 120.8(2) . . ? C15 C16 C17 118.4(3) . . ? C15 C16 H16 120.8(2) . . ? C16 C15 N3 122.4(3) . . ? H15 C15 N3 118.78(15) . . ? H15 C15 C16 118.8(2) . . ? O2 Cu01 O1 106.06(9) . 2_665 ? O2 Cu01 O1 89.95(9) . . ? N1 Cu01 O1 170.68(8) . . ? N1 Cu01 O1 95.46(8) . 2_665 ? N1 Cu01 O2 94.18(9) . . ? N2 Cu01 O1 155.10(9) . 2_665 ? N2 Cu01 O1 93.30(8) . . ? N2 Cu01 O2 95.85(10) . . ? N2 Cu01 N1 94.59(8) . . ? C14 O1 Cu01 133.53(15) . 2_665 ? C14 O1 Cu01 121.64(14) . . ? H2a O2 Cu01 109.4 . . ? H2b O2 Cu01 109.2 . . ? H2b O2 H2a 104.5 . . ? C5 N1 Cu01 120.75(18) . . ? C1 N1 Cu01 119.31(18) . . ? C1 N1 C5 119.3(2) . . ? H2 N2 Cu01 106.75(6) . . ? C8 N2 Cu01 108.42(15) . . ? C8 N2 H2 106.75(13) . . ? C7 N2 Cu01 114.51(16) . . ? C7 N2 H2 106.75(14) . . ? C7 N2 C8 113.2(2) . . ? C13 C14 O1 121.4(2) . . ? C9 C14 O1 118.8(2) . . ? C9 C14 C13 119.8(2) . . ? H13 C13 C14 119.95(15) . . ? C12 C13 C14 120.1(3) . . ? C12 C13 H13 119.95(17) . . ? H12 C12 C13 119.79(17) . . ? C11 C12 C13 120.4(3) . . ? C11 C12 H12 119.79(17) . . ? H11 C11 C12 120.34(17) . . ? C10 C11 C12 119.3(3) . . ? C10 C11 H11 120.34(17) . . ? H10 C10 C11 119.32(17) . . ? C9 C10 C11 121.4(3) . . ? C9 C10 H10 119.32(16) . . ? C10 C9 C14 118.9(2) . . ? C8 C9 C14 119.3(2) . . ? C8 C9 C10 121.7(2) . . ? C9 C8 N2 109.6(2) . . ? H8a C8 N2 109.76(13) . . ? H8a C8 C9 109.76(14) . . ? H8b C8 N2 109.76(13) . . ? H8b C8 C9 109.76(14) . . ? H8b C8 H8a 108.2 . . ? H7a C7 N2 109.17(15) . . ? H7b C7 N2 109.17(14) . . ? H7b C7 H7a 107.9 . . ? C6 C7 N2 112.2(2) . . ? C6 C7 H7a 109.17(16) . . ? C6 C7 H7b 109.17(15) . . ? H6a C6 C7 109.21(14) . . ? H6b C6 C7 109.21(16) . . ? H6b C6 H6a 107.9 . . ? C5 C6 C7 112.0(2) . . ? C5 C6 H6a 109.21(14) . . ? C5 C6 H6b 109.21(16) . . ? C6 C5 N1 116.6(2) . . ? C4 C5 N1 120.7(3) . . ? C4 C5 C6 122.6(2) . . ? H4 C4 C5 120.04(17) . . ? C3 C4 C5 119.9(3) . . ? C3 C4 H4 120.04(18) . . ? H3 C3 C4 120.51(18) . . ? C2 C3 C4 119.0(3) . . ? C2 C3 H3 120.51(18) . . ? H2c C2 C3 120.54(18) . . ? C1 C2 C3 118.9(3) . . ? C1 C2 H2c 120.54(19) . . ? C2 C1 N1 122.1(3) . . ? H1 C1 N1 118.96(16) . . ? H1 C1 C2 118.96(19) . . ? O8 Cl2 O11 106.4(3) . . ? O9 Cl2 O11 111.5(4) . . ? O9 Cl2 O8 109.2(3) . . ? O10 Cl2 O11 106.3(2) . . ? O10 Cl2 O8 111.2(3) . . ? O10 Cl2 O9 112.1(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 Cu02 Cu02 3.0311(6) 2_656 ? Cu02 O3 1.9628(17) 2_656 ? Cu02 O3 1.9458(17) . ? Cu02 N4 2.019(2) . ? Cu02 N3 1.979(2) . ? Cl1 O4 1.448(3) . ? Cl1 O5 1.429(3) . ? Cl1 O6 1.405(3) . ? Cl1 O7 1.398(3) . ? O3 C28 1.363(3) . ? N4 H4a 0.9100 . ? N4 C22 1.480(4) . ? N4 C21 1.488(4) . ? N3 C19 1.354(3) . ? N3 C15 1.337(4) . ? C28 C27 1.384(4) . ? C28 C23 1.400(3) . ? C27 H27 0.9300 . ? C27 C26 1.385(4) . ? C26 H26 0.9300 . ? C26 C25 1.378(4) . ? C25 H25 0.9300 . ? C25 C24 1.382(4) . ? C24 H24 0.9300 . ? C24 C23 1.395(4) . ? C23 C22 1.499(4) . ? C22 H22a 0.9700 . ? C22 H22b 0.9700 . ? C21 H21a 0.9700 . ? C21 H21b 0.9700 . ? C21 C20 1.508(5) . ? C20 H20a 0.9700 . ? C20 H20b 0.9700 . ? C20 C19 1.493(4) . ? C19 C18 1.388(4) . ? C18 H18 0.9300 . ? C18 C17 1.368(5) . ? C17 H17 0.9300 . ? C17 C16 1.383(5) . ? C16 H16 0.9300 . ? C16 C15 1.381(4) . ? C15 H15 0.9300 . ? Cu01 O1 1.9907(17) 2_665 ? Cu01 O1 1.9347(17) . ? Cu01 O2 2.290(2) . ? Cu01 N1 1.972(2) . ? Cu01 N2 2.028(2) . ? O1 C14 1.357(3) . ? O2 H2a 0.8501 . ? O2 H2b 0.8500 . ? N1 C5 1.348(3) . ? N1 C1 1.339(3) . ? N2 H2 0.9100 . ? N2 C8 1.496(3) . ? N2 C7 1.489(3) . ? C14 C13 1.387(4) . ? C14 C9 1.397(3) . ? C13 H13 0.9300 . ? C13 C12 1.384(4) . ? C12 H12 0.9300 . ? C12 C11 1.379(4) . ? C11 H11 0.9300 . ? C11 C10 1.380(4) . ? C10 H10 0.9300 . ? C10 C9 1.385(4) . ? C9 C8 1.505(4) . ? C8 H8a 0.9700 . ? C8 H8b 0.9700 . ? C7 H7a 0.9700 . ? C7 H7b 0.9700 . ? C7 C6 1.513(4) . ? C6 H6a 0.9700 . ? C6 H6b 0.9700 . ? C6 C5 1.494(4) . ? C5 C4 1.382(4) . ? C4 H4 0.9300 . ? C4 C3 1.370(5) . ? C3 H3 0.9300 . ? C3 C2 1.382(5) . ? C2 H2c 0.9300 . ? C2 C1 1.374(4) . ? C1 H1 0.9300 . ? Cl2 O11 1.418(4) . ? Cl2 O8 1.386(3) . ? Cl2 O9 1.338(4) . ? Cl2 O10 1.392(4) . ? 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 Cu02 O3 C28 C27 133.11(19) . . . . ? Cu02 O3 C28 C27 -14.9(2) 2_656 . . . ? Cu02 O3 C28 C23 -46.7(2) . . . . ? Cu02 O3 C28 C23 165.3(2) 2_656 . . . ? Cu02 N4 C22 C23 -64.5(2) . . . . ? Cu02 N4 C21 C20 -12.5(2) . . . . ? Cu02 N3 C19 C20 -5.2(2) . . . . ? Cu02 N3 C19 C18 175.1(2) . . . . ? Cu02 N3 C15 C16 -175.2(2) . . . . ? O3 C28 C27 C26 179.8(3) . . . . ? O3 C28 C23 C24 177.2(2) . . . . ? O3 C28 C23 C22 -1.2(3) . . . . ? N4 C22 C23 C28 61.9(3) . . . . ? N4 C22 C23 C24 -116.5(3) . . . . ? N4 C21 C20 C19 68.1(3) . . . . ? N3 C19 C20 C21 -59.1(3) . . . . ? N3 C19 C18 C17 -0.2(3) . . . . ? N3 C15 C16 C17 0.5(4) . . . . ? C28 C27 C26 C25 2.7(3) . . . . ? C28 C23 C24 C25 3.4(3) . . . . ? C27 C26 C25 C24 -2.0(4) . . . . ? C26 C25 C24 C23 -1.1(4) . . . . ? C25 C24 C23 C22 -178.2(3) . . . . ? C21 C20 C19 C18 120.6(3) . . . . ? C20 C19 C18 C17 -179.9(3) . . . . ? C19 C18 C17 C16 0.4(4) . . . . ? C18 C17 C16 C15 -0.6(4) . . . . ? Cu01 O1 C14 C13 130.2(2) . . . . ? Cu01 O1 C14 C13 -44.1(2) 2_665 . . . ? Cu01 O1 C14 C9 -48.6(2) . . . . ? Cu01 O1 C14 C9 137.1(2) 2_665 . . . ? Cu01 N1 C5 C6 -11.5(2) . . . . ? Cu01 N1 C5 C4 169.2(2) . . . . ? Cu01 N1 C1 C2 -169.4(2) . . . . ? Cu01 N2 C8 C9 -69.94(16) . . . . ? Cu01 N2 C7 C6 -31.32(19) . . . . ? O1 C14 C13 C12 176.9(3) . . . . ? O1 C14 C9 C10 -177.8(2) . . . . ? O1 C14 C9 C8 6.2(3) . . . . ? N1 C5 C6 C7 -53.2(3) . . . . ? N1 C5 C4 C3 -0.1(3) . . . . ? N1 C1 C2 C3 0.2(4) . . . . ? N2 C8 C9 C14 58.2(2) . . . . ? N2 C8 C9 C10 -117.7(2) . . . . ? N2 C7 C6 C5 77.6(2) . . . . ? C14 C13 C12 C11 1.8(3) . . . . ? C14 C9 C10 C11 -0.0(3) . . . . ? C13 C12 C11 C10 1.5(3) . . . . ? C12 C11 C10 C9 -2.4(4) . . . . ? C11 C10 C9 C8 175.8(3) . . . . ? C7 C6 C5 C4 126.1(2) . . . . ? C6 C5 C4 C3 -179.4(3) . . . . ? C5 C4 C3 C2 2.0(4) . . . . ? C4 C3 C2 C1 -2.0(4) . . . . ?