#------------------------------------------------------------------------------ #$Date: 2024-11-21 01:40:45 +0200 (Thu, 21 Nov 2024) $ #$Revision: 296029 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/96/7249623.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_7249623 loop_ _publ_author_name 'Benito, Monica' 'Mahmoudi, Ghodrat' 'Molins, Elies' 'Zangrando, Ennio' 'Servati Gargari, Masoumeh' 'Gomila, Rosa Maria' 'Frontera, Antonio' 'Safin, Damir' _publ_section_title ; Versatile copper(II) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D4CE01021C _journal_year 2024 _chemical_formula_sum 'C42 H50 Cu3 N8 O12' _chemical_formula_weight 1049.52 _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _atom_sites_solution_secondary dual _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.4.5 _audit_creation_date 2024-07-08T19:54:39-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' _audit_update_record ; 2024-07-12 deposited with the CCDC. 2024-11-19 downloaded from the CCDC. ; _cell_angle_alpha 86.291(10) _cell_angle_beta 74.948(8) _cell_angle_gamma 78.418(9) _cell_formula_units_Z 1 _cell_length_a 10.201(4) _cell_length_b 10.349(4) _cell_length_c 11.762(5) _cell_measurement_reflns_used 1006 _cell_measurement_temperature 295(2) _cell_measurement_theta_max 0 _cell_measurement_theta_min 0 _cell_measurement_wavelength 0.71073 _cell_volume 1174.6(8) _computing_cell_refinement 'SAINT V6.45A integration software' _computing_data_collection 'Bruker APEX2 software' _computing_data_reduction 'SORTAV (Blessing, 1995)' _computing_molecular_graphics 'Ortep for Windows (Farrugia, 2012)' _computing_publication_material 'WinGX publication routines (Farrugia, 2012)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT-2018/2 (Sheldrick, 2015)' _diffrn_ambient_temperature 295(2) _diffrn_detector 'APEX-II CCD' _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device '\k-geometry diffractometer' _diffrn_measurement_device_type 'Bruker APEX-II' _diffrn_measurement_method '\f or \w oscillation scans' _diffrn_orient_matrix_UB_11 0.073968 _diffrn_orient_matrix_UB_12 0.025644 _diffrn_orient_matrix_UB_13 -0.066603 _diffrn_orient_matrix_UB_21 -0.070987 _diffrn_orient_matrix_UB_22 0.06708 _diffrn_orient_matrix_UB_23 -0.027343 _diffrn_orient_matrix_UB_31 0.01357 _diffrn_orient_matrix_UB_32 0.067621 _diffrn_orient_matrix_UB_33 0.050678 _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.2156 _diffrn_reflns_av_unetI/netI 0.1448 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 25628 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_reduction_process ; Scaled and merged with Sortav R.H. Blessing, (1987) Cryst. Rev. 1, 3-58 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397 ; _diffrn_reflns_theta_full 24.711 _diffrn_reflns_theta_max 24.711 _diffrn_reflns_theta_min 4.09 _diffrn_source 'sealed x-ray tube' _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.413 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_correction_T_min 0.478 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS - Bruker Nonius area detector scaling and absorption correction - ; _exptl_crystal_density_diffrn 1.484 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 541 _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.34 _exptl_crystal_size_min 0.1 _refine_diff_density_max 0.686 _refine_diff_density_min -0.473 _refine_diff_density_rms 0.107 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 301 _refine_ls_number_reflns 3970 _refine_ls_number_restraints 4 _refine_ls_restrained_S_all 1.077 _refine_ls_R_factor_all 0.2009 _refine_ls_R_factor_gt 0.0992 _refine_ls_shift/su_max 0.781 _refine_ls_shift/su_mean 0.021 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0968P)^2^+3.6526P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2171 _refine_ls_wR_factor_ref 0.2669 _reflns_Friedel_coverage 0 _reflns_number_gt 1833 _reflns_number_total 3970 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL Tz27 in P-1 shelx.res created by SHELXL-2018/3 at 19:52:28 on 08-Jul-2024 CELL 0.71073 10.2010 10.3494 11.7624 86.291 74.948 78.418 ZERR 1.00 0.0040 0.0040 0.0047 0.010 0.008 0.009 LATT 1 SFAC C H CU N O UNIT 42 50 3 8 12 MERG 2 FMAP 2 dfix 0.95 0.01 o1w h1w o1w h2w dfix 1.50 0.02 h1w h2w dfix 2.0 0.02 h2w o3 ACTA plan -8 size 0.35 0.34 0.10 shel 5 0.85 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, -y+1, -z+1 HTAB C1 O1_$1 EQIV $3 -x+1, -y+1, -z+2 HTAB C4 O1W_$3 HTAB C6 O3_$3 HTAB C10 O5_$3 HTAB O1W O3 CONF L.S. 10 TEMP 22.00 WGHT 0.096800 3.652600 FVAR 0.39200 CU1 3 0.531533 0.583484 0.601490 11.00000 0.10840 0.04830 = 0.04770 0.00380 -0.03879 -0.03194 CU2 3 0.500000 0.000000 1.000000 10.50000 0.09288 0.05703 = 0.04973 0.00555 -0.03047 -0.01504 O1 5 0.524273 0.447681 0.729254 11.00000 0.08250 0.04772 = 0.04979 0.00047 -0.03881 -0.02295 O2 5 0.331708 0.086244 0.958194 11.00000 0.09599 0.06387 = 0.06794 0.01053 -0.03030 -0.01253 O3 5 0.279088 0.072402 1.153021 11.00000 0.18015 0.09062 = 0.08522 -0.01162 -0.03582 -0.03892 O4 5 0.372902 0.564916 0.548937 11.00000 0.08825 0.06220 = 0.06625 0.00984 -0.04937 -0.02861 O5 5 0.272672 0.737304 0.662009 11.00000 0.12863 0.06222 = 0.07195 -0.01221 -0.03407 -0.01658 N1 4 0.584632 0.738213 0.501842 11.00000 0.11336 0.04771 = 0.04749 -0.00141 -0.02886 -0.02092 N2 4 0.657331 0.629179 0.682205 11.00000 0.08638 0.04484 = 0.04512 -0.00005 -0.02474 -0.01879 N3 4 0.676952 0.559092 0.782380 11.00000 0.07964 0.04243 = 0.05121 -0.00277 -0.02464 -0.01727 N4 4 0.561518 0.173906 0.998475 11.00000 0.08547 0.05143 = 0.04666 0.00023 -0.02959 -0.00804 C1 1 0.548471 0.788860 0.402076 11.00000 0.14664 0.07183 = 0.05727 0.00561 -0.04791 -0.05257 AFIX 43 H1 2 0.491304 0.749647 0.370877 11.00000 -1.20000 AFIX 0 C2 1 0.596938 0.899073 0.346887 11.00000 0.15698 0.05005 = 0.07467 0.02386 -0.03662 -0.02756 AFIX 43 H2 2 0.573903 0.931188 0.277503 11.00000 -1.20000 AFIX 0 C3 1 0.676259 0.960124 0.391591 11.00000 0.13659 0.04242 = 0.06757 0.00249 -0.02289 -0.02879 AFIX 43 H3 2 0.705437 1.035069 0.354106 11.00000 -1.20000 AFIX 0 C4 1 0.714018 0.913598 0.490534 11.00000 0.10012 0.04333 = 0.06939 0.00218 -0.01736 -0.03086 AFIX 43 H4 2 0.768567 0.955779 0.522179 11.00000 -1.20000 AFIX 0 C5 1 0.669120 0.800672 0.544052 11.00000 0.09155 0.04521 = 0.05372 -0.00338 -0.02424 -0.01811 C6 1 0.701285 0.735602 0.648364 11.00000 0.07755 0.07501 = 0.06019 0.00095 -0.02493 -0.03765 AFIX 43 H6 2 0.752457 0.770238 0.689567 11.00000 -1.20000 AFIX 0 C7 1 0.603266 0.464447 0.796641 11.00000 0.06838 0.03760 = 0.05165 -0.00665 -0.01587 0.00107 C8 1 0.608421 0.374552 0.896369 11.00000 0.06063 0.04235 = 0.04908 -0.00011 -0.01627 0.00059 C9 1 0.676070 0.397370 0.982116 11.00000 0.05114 0.05822 = 0.06365 -0.00755 -0.01314 -0.00900 AFIX 43 H9 2 0.719209 0.469667 0.974671 11.00000 -1.20000 AFIX 0 C10 1 0.677451 0.313318 1.074792 11.00000 0.09758 0.07912 = 0.03893 0.00041 -0.02682 -0.01601 AFIX 43 H10 2 0.715596 0.330998 1.134480 11.00000 -1.20000 AFIX 0 C11 1 0.621127 0.199236 1.080691 11.00000 0.10646 0.06260 = 0.04156 0.00632 -0.03391 -0.00506 AFIX 43 H11 2 0.625495 0.140143 1.143223 11.00000 -1.20000 AFIX 0 C12 1 0.552140 0.263918 0.908980 11.00000 0.08724 0.03862 = 0.05429 -0.01112 -0.02681 -0.00971 AFIX 43 H12 2 0.505364 0.248974 0.854424 11.00000 -1.20000 AFIX 0 C13 1 0.241432 0.099283 1.058768 11.00000 0.10890 0.04732 = 0.09950 0.00908 -0.05376 -0.02686 C14 1 0.093627 0.135739 1.063061 11.00000 0.12746 0.07740 = 0.12776 -0.01192 -0.02633 0.01391 AFIX 23 H14A 2 0.052012 0.205269 1.120161 11.00000 -1.20000 H14B 2 0.051254 0.060001 1.091678 11.00000 -1.20000 AFIX 0 C15 1 0.059019 0.180920 0.950722 11.00000 0.11986 0.07950 = 0.13564 -0.00271 -0.04483 -0.00344 AFIX 23 H15A 2 0.111986 0.117983 0.890269 11.00000 -1.20000 H15B 2 -0.038104 0.180598 0.959366 11.00000 -1.20000 AFIX 0 C16 1 0.085350 0.312815 0.910332 11.00000 0.13187 0.05374 = 0.12487 0.00398 -0.04289 -0.00798 AFIX 23 H16A 2 0.182111 0.314000 0.902625 11.00000 -1.20000 H16B 2 0.030879 0.376430 0.969699 11.00000 -1.20000 AFIX 0 C17 1 0.051629 0.354657 0.795029 11.00000 0.10639 0.07553 = 0.11865 -0.00942 -0.03324 -0.00327 AFIX 23 H17A 2 -0.046480 0.359100 0.804362 11.00000 -1.20000 H17B 2 0.101249 0.287799 0.737072 11.00000 -1.20000 AFIX 0 C18 1 0.088155 0.489905 0.747316 11.00000 0.14100 0.08494 = 0.10574 -0.01336 -0.02939 -0.02886 AFIX 23 H18A 2 0.025133 0.559193 0.796806 11.00000 -1.20000 H18B 2 0.180967 0.491949 0.752797 11.00000 -1.20000 AFIX 0 C19 1 0.080624 0.517954 0.622407 11.00000 0.11193 0.13018 = 0.08158 -0.01110 -0.05495 -0.03153 AFIX 23 H19A 2 -0.013978 0.522875 0.618225 11.00000 -1.20000 H19B 2 0.137812 0.444976 0.574023 11.00000 -1.20000 AFIX 0 C20 1 0.126532 0.643262 0.572436 11.00000 0.15627 0.06749 = 0.10286 0.00882 -0.06657 -0.03654 AFIX 23 H20A 2 0.056578 0.718037 0.606880 11.00000 -1.20000 H20B 2 0.136157 0.646499 0.488115 11.00000 -1.20000 AFIX 0 C21 1 0.264748 0.653472 0.596750 11.00000 0.07871 0.06460 = 0.06746 0.01559 -0.04175 -0.00999 O1W 5 0.132770 -0.079830 1.339617 11.00000 0.56531 0.31632 = 0.08988 0.06725 -0.09267 -0.14948 H1W 2 0.039795 -0.022444 1.324319 11.00000 -1.50000 H2W 2 0.207202 -0.044325 1.288536 11.00000 -1.50000 HKLF 4 REM Tz27 in P-1 REM wR2 = 0.2669, GooF = S = 1.056, Restrained GooF = 1.077 for all data REM R1 = 0.0992 for 1833 Fo > 4sig(Fo) and 0.2009 for all 3970 data REM 301 parameters refined using 4 restraints END WGHT 0.0968 3.6526 REM Highest difference peak 0.686, deepest hole -0.473, 1-sigma level 0.107 Q1 1 0.4986 0.6765 0.5615 11.00000 0.05 0.69 Q2 1 0.4957 0.2537 1.1748 11.00000 0.05 0.66 Q3 1 0.5087 0.0779 0.9366 11.00000 0.05 0.61 Q4 1 0.5364 0.6605 0.5398 11.00000 0.05 0.60 Q5 1 0.4913 0.5139 0.6670 11.00000 0.05 0.53 Q6 1 0.0733 -0.1029 1.3026 11.00000 0.05 0.51 Q7 1 0.2249 -0.0933 1.3361 11.00000 0.05 0.51 Q8 1 0.0370 0.0221 1.3419 11.00000 0.05 0.46 ; _cod_data_source_file d4ce01021c1.cif _cod_data_source_block shelx _cod_original_cell_volume 1174.7(8) _cod_database_code 7249623 _shelx_estimated_absorpt_t_min 0.638 _shelx_estimated_absorpt_t_max 0.872 _shelx_shelxl_version_number 2018/3 _iucr_refine_reflections_details ; 12 7 -1-17.7958 17.746 1 12 7 -1 1.98138 40.7084 1 -12 -7 1 12.6813 20.6485 1 -12 -7 1 20.0156 23.1228 1 12 7 -1 21.1121 39.6152 1 12 6 -1 9.33117 35.8707 1 -12 -6 1-27.7848 20.4084 1 12 6 -1-29.6207 36.9659 1 -12 -6 1 -11.416 18.5222 1 12 6 -1 20.6786 18.9032 1 -12 -6 2 20.9287 20.6686 1 12 6 -2 2.80304 18.9928 1 12 6 -2 42.284 35.5424 1 -12 -6 2 55.4864 19.6755 1 12 5 -1-8.22574 37.5962 1 -12 -5 1-19.5968 19.2766 1 -12 -5 1-19.6147 17.6704 1 -12 -5 1 22.1097 21.9097 1 12 5 -1 88.0735 36.2008 1 12 5 -1 7.35174 18.3843 1 -12 -5 2 34.7592 19.4346 1 12 5 -2 49.2451 33.4214 1 -12 -5 2 6.26536 21.9988 1 12 5 -2-8.20961 18.8831 1 12 5 -3-9.27696 18.8731 1 -12 -4 1 4.88112 17.7204 1 -12 -4 1-3.54303 20.7678 1 12 4 -1-42.2044 29.3981 1 12 4 -1-31.1117 36.5256 1 -12 -4 2-0.36082 16.8183 1 12 4 -2-13.8424 31.5089 1 12 4 -2-30.4344 18.4844 1 -12 -4 2-8.80753 19.9271 1 12 4 -3 -34.357 31.5191 1 -12 -4 3-28.3646 18.5625 1 12 4 -3 18.125 21.1077 1 -12 -4 3 16.2839 23.0097 1 -12 -3 1-8.83756 21.3082 1 12 3 -1-20.4242 31.5021 1 12 3 -1-17.6964 26.1015 1 -12 -3 1 29.5874 18.1516 1 12 3 -2-9.67597 21.1974 1 -12 -3 2 5.82327 16.9186 1 -12 -3 2-0.52045 20.3374 1 12 3 -2-43.4392 26.1218 1 12 3 -3-6.03488 30.7022 1 -12 -3 3-6.96596 22.0188 1 -12 -3 3 16.5878 18.7227 1 12 3 -3 8.75824 20.7485 1 12 2 -1 7.6183 26.8782 1 -12 -2 1-27.8438 18.7663 1 -12 -2 1 7.23649 16.8785 1 12 2 -2-26.2448 16.9581 1 -12 -2 2 11.4661 17.3095 1 12 2 -2 11.1934 28.3122 1 -12 -2 2 32.6579 25.2818 1 12 2 -3 -22.524 17.8458 1 -12 -2 3 13.5216 22.0789 1 12 2 -3 7.33946 32.0466 1 -12 -2 3-15.0142 17.981 1 12 1 -1-8.16602 26.9977 1 -12 -1 1 11.8902 22.9096 1 -12 -1 1 12.8693 17.3696 1 -12 -1 2 12.3281 17.1391 1 -12 -1 2 3.503 23.0497 1 12 1 -2 73.6037 34.9954 1 12 1 -3 67.1406 36.26 1 -12 -1 3 9.9385 22.6694 1 -12 -1 3-25.6384 19.6449 1 12 1 -3 23.0926 16.9181 1 -12 0 1-32.9882 17.3952 1 12 0 -1 5.09878 28.0931 1 -12 0 1 12.2078 16.5678 1 -12 0 2-18.6726 17.8808 1 12 0 -2 -12.966 28.9794 1 -12 0 2 1.66142 22.1589 1 -12 0 3 11.2296 22.7195 1 12 0 -3-22.3146 17.6663 1 12 -1 0 6.1643 34.7042 1 12 -1 0 4.32201 23.1736 1 -12 1 0-9.84842 21.3383 1 -12 1 1 16.5041 36.1209 1 12 -1 -1 37.8027 27.7748 1 -12 1 2-14.4524 21.2582 1 12 -1 -2 27.147 27.4061 1 12 -2 0 33.7794 25.2054 1 -12 2 0 2.87246 18.2956 1 -12 2 1 27.5936 19.1165 1 12 -2 -1-25.2449 24.5879 1 12 -3 0-14.8681 24.1695 1 -12 3 0-0.87192 26.0774 1 -12 3 0-1.30111 18.1755 1 -11 -9 1 19.5274 19.5475 1 11 9 -1 35.8906 40.183 1 -11 -9 1-14.8438 21.3687 1 11 9 -1 32.9382 18.4146 1 -11 -9 1 25.4578 34.5242 1 11 9 -1 1.66116 40.118 1 11 8 -1 2.51376 19.1325 1 11 8 -1 2.28051 33.4807 1 -11 -8 1 6.88569 26.4002 1 -11 -8 1 0.40036 19.3072 1 11 8 -1 -48.704 32.8033 1 11 8 -2-2.99209 34.2639 1 -11 -8 2-14.6333 20.3264 1 11 8 -2 13.9519 36.0301 1 11 8 -2-10.2346 17.6362 1 -11 -8 2-0.62055 18.7267 1 11 7 -1-2.16151 35.835 1 -11 -7 1-24.2653 20.7574 1 11 7 -1-5.33779 25.1553 1 -11 -7 1-3.64325 17.8759 1 11 7 -1-24.5091 15.6214 1 -11 -7 2-5.55495 17.5557 1 11 7 -2 11.4216 19.7111 1 11 7 -2 16.4515 35.735 1 11 7 -2 40.7902 36.3192 1 -11 -7 2-1.28292 18.3418 1 11 7 -3 3.75068 17.6362 1 -11 -7 3-19.3372 20.7186 1 -11 -7 3 11.7869 18.9031 1 11 7 -3 20.5644 34.387 1 -11 -6 1 45.4806 20.4088 1 11 6 -1-10.9245 27.0176 1 -11 -6 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36.9462 1 -2 -4 4 418.612 33.6951 1 2 4 -4 395.931 24.213 1 -2 -4 4 372.058 32.0726 1 -2 -4 5-4.37374 8.92764 1 -2 -4 5 7.55722 10.7746 1 2 4 -5-0.66834 9.00762 1 2 4 -5 5.34176 6.45423 1 -2 -4 5 1.40098 11.1078 1 -2 -4 5-4.68418 7.32655 1 2 4 -5-7.43904 12.508 1 2 4 -5 -6.6879 7.34772 1 -2 -4 6 30.2311 12.269 1 2 4 -6 12.0399 15.6151 1 -2 -4 6 24.115 14.1725 1 2 4 -6 34.6639 16.5493 1 -2 -4 6 25.0824 11.7108 1 2 4 -6 39.5776 14.9259 1 -2 -4 6 22.7294 13.3716 1 2 4 -6 20.3648 9.09022 1 -2 -4 7 19.8539 13.4295 1 2 4 -7 52.4597 19.5422 1 -2 -4 7 50.0942 17.4203 1 2 4 -7 68.236 20.7651 1 -2 -4 7 41.9774 15.2643 1 2 4 -7 37.9981 17.0851 1 2 4 -7 64.9931 16.267 1 -2 -4 7 76.5755 20.9994 1 -2 -4 8 8.4693 13.5609 1 2 4 -8-16.7284 10.0751 1 -2 -4 8-8.28739 10.7496 1 2 4 -8 7.50764 13.5058 1 -2 -4 8 9.21788 11.8301 1 2 4 -8-19.4929 9.47103 1 -2 -4 9 5.59478 14.4023 1 2 4 -9 32.7287 17.8061 1 -2 -4 9 13.4206 13.7414 1 2 4 -9 17.3545 16.365 1 -2 -4 9 19.7276 12.4713 1 2 4 -9 18.3805 14.6724 1 -2 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1 -2 -2 5 33.5299 12.7319 1 -2 -2 6 38.4043 12.4318 1 -2 -2 6 36.5333 14.744 1 2 2 -6 24.508 13.9124 1 2 2 -6 21.3733 10.7768 1 -2 -2 6 18.4529 9.50685 1 2 2 -6 54.8138 19.7318 1 2 2 -6 45.7106 13.0795 1 -2 -2 6 18.8061 12.2706 1 -2 -2 7 140.225 26.5479 1 2 2 -7 181.493 32.7749 1 -2 -2 7 117.661 26.5653 1 2 2 -7 138.625 25.9305 1 2 2 -7 125.648 30.2876 1 2 2 -7 143.622 26.2164 1 -2 -2 7 175.61 32.9894 1 2 2 -8 27.8413 14.1013 1 -2 -2 8 16.4641 16.5943 1 2 2 -8 11.8863 12.966 1 -2 -2 8 24.8221 13.2921 1 2 2 -8 30.4333 17.5971 1 2 2 -8 35.2824 18.8834 1 -2 -2 8 1.8442 12.9796 1 -2 -2 9 35.8417 16.969 1 2 2 -9 66.6166 20.5462 1 2 2 -9 20.8382 14.9829 1 2 2 -9 39.5776 17.1051 1 -2 -2 9 24.8121 16.4949 1 -2 -2 9 29.5152 18.0357 1 2 2 -10-2.53558 14.2013 1 2 2 -10 7.11776 13.2159 1 2 2 -10 -10.075 11.6312 1 -2 -2 10-13.6422 14.493 1 -2 -2 10 13.3414 18.0355 1 -2 -2 10-2.77633 11.5864 1 2 2 -11 21.8158 16.5191 1 -2 -2 11-1.88161 15.3231 1 -2 -2 11-7.29663 13.0798 1 2 2 -11-5.56224 15.6545 1 2 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11.9903 1 -1 -6 8-0.04004 10.4894 1 -1 -6 8-1.24283 14.062 1 1 6 -8-7.63681 10.6334 1 -1 -6 8 4.43309 15.4908 1 1 6 -8-1.98937 10.9166 1 -1 -6 9 13.8824 14.0926 1 -1 -6 9 47.1274 17.3601 1 1 6 -9 33.5839 15.8252 1 1 6 -9 2.98906 12.876 1 1 6 -9 31.4519 17.3073 1 -1 -6 10 17.2053 15.0936 1 -1 -6 10 6.68523 13.4206 1 1 6 -10-11.2848 13.1189 1 1 6 -10 26.5317 16.2751 1 1 6 -10 30.175 16.8085 1 -1 -6 11-4.72076 17.5199 1 1 6 -11 31.0728 19.9906 1 -1 -6 11 8.42752 17.896 1 1 6 -11 24.4823 14.7556 1 -1 -6 12-19.7176 19.3474 1 1 6 -12 17.7144 17.9844 1 -1 -6 12-22.2006 17.6103 1 1 6 -12 3.3417 18.7534 1 1 6 -13 4.90846 16.8747 1 -1 -6 13 28.9458 21.089 1 -1 -6 13 10.6443 22.2307 1 1 5 -1 160.784 14.6303 1 1 5 -1 101.218 19.8664 1 1 5 -1 140.441 25.2415 1 -1 -5 1 119.463 25.5912 1 -1 -5 1 129.435 13.7068 1 -1 -5 1 150.254 26.6686 1 1 5 -1 148.313 33.5649 1 1 5 -2 85.5231 19.6258 1 1 5 -2 140.63 14.5783 1 1 5 -2 98.4654 22.3368 1 1 5 -2 133.325 30.9353 1 -1 -5 2 135.449 18.2762 1 -1 -5 2 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23.3379 1 -1 -3 -7 125.73 28.5139 1 1 3 7 85.0773 23.5833 1 1 3 7 133.223 18.6488 1 1 3 7 94.9547 20.4908 1 1 3 8 14.8727 11.2998 1 1 3 8 17.2192 13.6412 1 -1 -3 -8 10.825 13.225 1 -1 -3 -8 24.0824 14.0758 1 1 3 8 38.2442 14.7128 1 1 3 8 7.07631 9.0481 1 -1 -3 -8 24.1101 14.0453 1 1 3 9 13.8405 12.0967 1 1 3 9 1.50343 12.298 1 -1 -3 -9 28.6887 16.7786 1 1 3 9 10.069 11.8706 1 -1 -3 -9 22.343 15.2754 1 -1 -3 -9 10.7236 12.4474 1 1 3 9 14.5224 13.0913 1 -1 -3 -10-19.6612 12.3495 1 1 3 10 -12.301 11.3402 1 1 3 10 28.8947 15.9339 1 -1 -3 -10 16.015 16.7648 1 1 3 10 22.2507 14.5633 1 1 3 10-2.60574 14.542 1 -1 -3 -10 1.04229 12.9485 1 -1 -3 -11 29.3847 20.2347 1 -1 -3 -11 22.1131 19.6639 1 1 3 11 29.4952 16.5444 1 1 3 11 42.6038 19.4232 1 -1 -3 -11 5.6759 16.2397 1 1 3 11 20.8786 16.3647 1 1 3 11 76.8652 24.4268 1 -1 -3 -12 34.1893 21.6435 1 1 3 12 10.463 15.6445 1 -1 -3 -12 52.8587 20.0509 1 -1 -3 -12 58.0678 23.0213 1 1 3 12 103.168 29.7572 1 1 3 12 67.4637 21.7104 1 1 3 13-15.4432 14.8228 1 1 3 13-20.9578 16.0667 1 -1 -3 -13 18.5308 18.3906 1 -1 -3 -13-7.73757 16.9847 1 -1 -3 -14-13.0959 21.8632 1 -1 -3 -14-9.14012 19.4929 1 1 3 14-12.3882 18.2516 1 1 3 14-2.60222 16.404 1 1 3 15 15.1129 19.9972 1 1 3 15-8.28889 20.9077 1 -1 -3 -15-0.83974 26.3217 1 -1 -3 -15-2.37523 20.3648 1 1 4 0 155.114 31.8527 1 1 4 0 147.304 12.856 1 -1 -4 0 173.551 28.7764 1 1 4 0 188.881 22.2713 1 1 4 0 150.456 22.9283 1 -1 -4 0 186.426 23.4894 1 -1 -4 0 155.685 13.5189 1 1 4 1 324.255 28.7681 1 -1 -4 -1 374.804 26.514 1 1 4 1 336.251 41.5759 1 1 4 1 338.224 24.7061 1 -1 -4 -1 297.508 32.4492 1 1 4 1 332.442 20.71 1 -1 -4 -1 355.981 20.9851 1 1 4 1 325.068 19.304 1 -1 -4 -2 10.5194 8.28747 1 1 4 2 6.30388 5.3919 1 1 4 2 15.9337 11.4923 1 1 4 2 6.14525 5.96513 1 1 4 2 2.8791 6.77788 1 -1 -4 -2 5.62281 5.45245 1 1 4 2 12.5887 5.59287 1 1 4 2-1.12078 9.65674 1 1 4 2 6.66345 7.35177 1 -1 -4 -2 15.9511 14.5603 1 1 4 3 184.379 25.0857 1 1 4 3 156.272 23.8462 1 1 4 3 196.038 23.2982 1 1 4 3 204.156 28.0389 1 -1 -4 -3 176.587 18.9563 1 -1 -4 -3 195.687 28.458 1 1 4 3 170.245 22.7158 1 1 4 3 196.876 18.1384 1 -1 -4 -3 169.256 30.1013 1 1 4 3 210.255 31.4987 1 1 4 3 179.379 16.827 1 1 4 4 71.5731 14.1539 1 1 4 4 133.893 24.7421 1 -1 -4 -4 100.741 25.8253 1 1 4 4 41.6656 13.0018 1 1 4 4 53.3775 13.8514 1 -1 -4 -4 113.98 23.4497 1 1 4 5 3.189 8.44735 1 1 4 5 6.22532 7.99686 1 1 4 5 6.57586 7.49672 1 -1 -4 -5 11.2421 11.701 1 -1 -4 -5 11.1778 11.6182 1 -1 -4 -5 15.4258 14.1413 1 1 4 5 2.94672 6.6251 1 1 4 5-2.45171 9.3065 1 1 4 5 11.1345 9.39073 1 1 4 5-0.08978 6.45397 1 1 4 6 347.137 34.8272 1 1 4 6 375.325 29.4637 1 -1 -4 -6 372.813 43.1031 1 -1 -4 -6 348.012 35.506 1 -1 -4 -6 345.252 36.2077 1 1 4 6 367.549 34.3536 1 1 4 6 358.447 33.2895 1 1 4 6 323.646 28.1722 1 -1 -4 -6 450.825 33.8201 1 1 4 6 328.609 29.7943 1 1 4 7 2.54227 9.55853 1 1 4 7 7.87549 11.428 1 -1 -4 -7 6.0581 15.3052 1 -1 -4 -7 9.48055 13.6731 1 -1 -4 -7 7.23505 13.3093 1 1 4 7-0.92971 9.26709 1 -1 -4 -7 4.96766 11.1523 1 1 4 7 27.7332 10.7448 1 1 4 7 10.1687 9.61828 1 1 4 7 18.6811 13.7203 1 -1 -4 -8 2.95267 12.7084 1 1 4 8 29.5263 11.5808 1 1 4 8 25.5983 12.9096 1 -1 -4 -8 21.2117 15.9538 1 -1 -4 -8 20.3636 17.4246 1 1 4 8 35.8907 17.2051 1 1 4 8 19.3726 14.3818 1 1 4 9 16.2257 12.5878 1 1 4 9-9.90257 10.6744 1 -1 -4 -9 39.0477 18.9844 1 1 4 9 0.37033 9.68864 1 -1 -4 -9 7.57119 11.9503 1 1 4 9-8.26707 10.3889 1 1 4 10-8.29709 10.7893 1 1 4 10 2.59571 11.375 1 1 4 10-16.3746 11.4303 1 1 4 10-8.66976 13.6211 1 -1 -4 -10 3.27897 15.7251 1 -1 -4 -10-19.5415 13.0677 1 -1 -4 -10 8.25818 13.0888 1 -1 -4 -11 52.0947 23.7929 1 -1 -4 -11 108.89 29.3991 1 1 4 11 30.9305 21.3088 1 1 4 11 37.5827 19.1926 1 -1 -4 -11 39.2477 21.2037 1 1 4 11 29.9256 20.5178 1 1 4 12-1.69145 13.5516 1 -1 -4 -12-18.3943 16.9081 1 1 4 12 8.9504 18.432 1 -1 -4 -12 20.5853 19.4529 1 -1 -4 -12 22.413 19.0941 1 1 4 12-8.31831 14.7926 1 1 4 13 2.05175 14.6425 1 -1 -4 -13-21.3071 20.988 1 1 4 13 2.56565 15.5843 1 -1 -4 -13 12.876 19.244 1 1 4 13-21.9801 16.9387 1 -1 -4 -13 6.37403 16.3259 1 1 4 14-13.7213 20.2362 1 -1 -4 -14 19.1922 18.3405 1 1 4 14 -4.7941 16.0337 1 -1 -4 -14 0.6398 22.4929 1 1 5 0 948.532 47.5727 1 -1 -5 0 1023.58 37.1523 1 -1 -5 0 1023.50 49.7352 1 1 5 0 963.646 55.9797 1 1 5 0 1056.50 41.5647 1 -1 -5 0 953.185 59.0546 1 1 5 0 915.868 64.7705 1 1 5 1-2.44393 5.36668 1 1 5 1 6.66227 10.7254 1 -1 -5 -1 8.24736 7.83704 1 1 5 1-2.09179 4.09351 1 -1 -5 -1 12.2185 14.9905 1 1 5 1 7.96754 6.03333 1 1 5 1 8.51732 6.65796 1 -1 -5 -1 5.98364 7.21647 1 -1 -5 -2 373.09 23.6004 1 1 5 2 330.202 23.6834 1 1 5 2 304.663 30.7896 1 1 5 2 356.616 45.8186 1 -1 -5 -2 344.23 37.2653 1 -1 -5 -2 316.642 27.0254 1 1 5 2 280.782 27.6061 1 1 5 2 328.232 24.6743 1 -1 -5 -3 19.4936 16.6017 1 1 5 3 1.37302 7.7671 1 1 5 3 14.4499 12.4284 1 1 5 3 1.5895 7.84754 1 1 5 3 13.611 7.15643 1 -1 -5 -3 26.0833 11.8309 1 1 5 3 9.53631 9.20718 1 1 5 3 25.1515 9.52848 1 -1 -5 -3 23.5321 16.3821 1 1 5 4-5.97513 10.0582 1 1 5 4 14.2622 9.6984 1 -1 -5 -4 19.6482 15.9936 1 1 5 4-5.28163 6.84509 1 1 5 4 9.10738 9.79571 1 1 5 4 13.8215 8.35915 1 -1 -5 -4 10.3472 14.31 1 1 5 4 21.0988 8.99831 1 1 5 4 1.12965 10.1268 1 -1 -5 -4-1.67149 7.53672 1 1 5 5 569.421 42.9555 1 -1 -5 -5 605.132 47.0401 1 -1 -5 -5 632.978 47.8559 1 1 5 5 580.227 41.859 1 -1 -5 -5 592.375 50.1997 1 1 5 5 601.656 45.649 1 1 5 5 580.676 43.6961 1 1 5 5 602.974 36.5483 1 1 5 5 569.608 36.6834 1 1 5 6 67.5102 17.0167 1 -1 -5 -6 55.8376 21.621 1 1 5 6 46.0894 17.3955 1 1 5 6 50.7517 17.9001 1 -1 -5 -6 33.6664 20.1901 1 1 5 6 81.8743 21.3049 1 1 5 6 60.9489 13.7826 1 -1 -5 -6 82.5676 24.0285 1 -1 -5 -7 115.684 30.9525 1 -1 -5 -7 114.633 29.9285 1 1 5 7 151.832 32.1836 1 -1 -5 -7 142.586 35.1358 1 -1 -5 -7 168.528 29.6965 1 1 5 7 110.923 23.3857 1 1 5 7 100.832 25.8988 1 1 5 7 135.316 30.9795 1 1 5 7 90.5007 21.2612 1 1 5 8 78.0755 21.6147 1 1 5 8 63.9547 22.35 1 -1 -5 -8 47.7513 24.3493 1 -1 -5 -8 49.0946 23.2032 1 -1 -5 -8 80.7195 26.2761 1 1 5 8 59.1001 21.1172 1 1 5 8 89.9149 23.004 1 1 5 8 105.464 20.8016 1 -1 -5 -9 26.44 17.8858 1 1 5 9-7.84788 10.945 1 -1 -5 -9 15.6251 14.0557 1 -1 -5 -9 12.8381 13.8955 1 1 5 9 17.4885 12.5978 1 1 5 9 2.12181 12.2605 1 1 5 10 84.7124 27.1045 1 -1 -5 -10 57.6619 25.4127 1 1 5 10 79.3007 21.4903 1 1 5 10 52.5356 19.8744 1 -1 -5 -10 62.2953 27.0635 1 1 5 11-0.29064 12.9285 1 -1 -5 -11-24.2935 13.5901 1 -1 -5 -11-14.0356 16.105 1 1 5 11-6.65569 13.3214 1 -1 -5 -11 12.2695 18.8233 1 1 5 11 20.3063 14.9241 1 -1 -5 -12 9.56699 17.5845 1 1 5 12 2.33514 15.4941 1 -1 -5 -12 4.72039 16.7669 1 1 5 12-1.01086 14.4824 1 1 5 12 19.9956 17.4799 1 -1 -5 -12 11.2421 19.731 1 1 5 13 2.88635 15.1534 1 1 5 13 19.0963 15.6935 1 1 5 13 4.84103 20.607 1 -1 -5 -13-2.59356 20.3694 1 -1 -5 -13 45.0558 21.2038 1 -1 -5 -13-12.4975 20.2446 1 -1 -5 -14 7.20774 23.0528 1 1 5 14 12.1204 17.8353 1 1 5 14-17.2279 16.316 1 1 5 14-25.4781 20.5871 1 -1 -5 -14 13.3794 24.4338 1 1 6 0 280.928 22.3654 1 1 6 0 333.323 48.3747 1 -1 -6 0 291.354 19.6844 1 -1 -6 0 259.331 41.3287 1 1 6 0 211.505 34.6807 1 1 6 0 247.622 31.69 1 -1 -6 0 259.351 33.5314 1 1 6 1-0.09959 14.8283 1 -1 -6 -1 2.21154 17.242 1 -1 -6 -1 29.6765 12.1913 1 -1 -6 -1-12.8593 5.92362 1 1 6 1 15.1129 6.17547 1 1 6 1 12.1668 7.5467 1 1 6 1 28.1312 12.0665 1 1 6 1 13.9952 10.1449 1 -1 -6 -2 23.2607 12.001 1 -1 -6 -2 27.3064 18.6029 1 1 6 2 21.5664 13.1575 1 1 6 2 36.8484 13.8661 1 -1 -6 -2 33.777 10.5646 1 1 6 2 9.38065 8.00768 1 1 6 2 11.7212 13.3147 1 1 6 2 16.7543 8.2172 1 -1 -6 -2 26.2283 20.5946 1 -1 -6 -3 13.0817 11.4903 1 1 6 3 11.5062 6.09399 1 -1 -6 -3 9.88885 17.7661 1 1 6 3-20.8831 9.06262 1 -1 -6 -3 11.5363 7.86801 1 1 6 3 9.29691 10.6735 1 1 6 3 19.7738 11.0967 1 -1 -6 -3 5.42378 18.4929 1 1 6 3 6.815 8.4386 1 1 6 3 13.1512 7.7067 1 1 6 4 148.583 29.4946 1 1 6 4 99.6924 25.9576 1 -1 -6 -4 90.354 31.2518 1 1 6 4 81.8866 16.75 1 -1 -6 -4 106.705 21.9425 1 1 6 4 101.944 21.4695 1 1 6 4 112.826 22.2219 1 1 6 4 93.2718 27.0098 1 -1 -6 -4 93.5052 27.9514 1 1 6 5 14.4329 8.31907 1 1 6 5-7.25199 7.40165 1 -1 -6 -5 3.10707 13.9818 1 -1 -6 -5 14.1299 17.1721 1 1 6 5 19.5267 9.99874 1 1 6 5 14.7154 12.5561 1 -1 -6 -5 22.6936 16.0603 1 -1 -6 -5 0.39035 10.4393 1 1 6 5 16.9172 9.88188 1 1 6 6 120.262 28.3437 1 -1 -6 -6 95.997 26.2705 1 1 6 6 65.6144 18.5619 1 -1 -6 -6 100.074 29.9278 1 1 6 6 127.309 27.8968 1 -1 -6 -6 75.4873 21.0803 1 1 6 6 94.7058 19.0155 1 1 6 6 91.1835 27.8424 1 1 6 6 113.531 21.963 1 -1 -6 -6 117.987 32.5714 1 1 6 7 57.922 14.6544 1 -1 -6 -7 58.0683 23.5928 1 1 6 7 51.7737 19.6445 1 1 6 7 49.6243 17.2262 1 1 6 7 60.0814 17.9363 1 1 6 7 66.326 17.7602 1 -1 -6 -7 85.7869 28.7699 1 -1 -6 -7 65.896 23.5275 1 -1 -6 -8 4.14969 16.0701 1 -1 -6 -8 4.22243 16.5013 1 1 6 8 44.5982 15.2943 1 -1 -6 -8 32.7097 21.3136 1 1 6 8 2.94907 14.7254 1 1 6 8 30.6762 17.0949 1 1 6 8 13.611 11.6266 1 1 6 9 107.537 32.4631 1 -1 -6 -9 95.9109 31.0628 1 -1 -6 -9 88.1909 30.2562 1 1 6 9 128.37 31.8899 1 1 6 9 60.6883 18.0821 1 -1 -6 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1 -1 -7 -6 13.7826 19.9769 1 -1 -7 -6 28.6556 15.9245 1 1 7 6 3.3816 12.7184 1 -1 -7 -6 32.5227 21.2952 1 1 7 6 35.6613 11.9477 1 1 7 6 25.1221 16.565 1 1 7 6 24.0229 12.8184 1 -1 -7 -6 6.49387 19.9505 1 1 7 7 12.7791 10.2033 1 -1 -7 -7 36.5093 21.1179 1 1 7 7-1.24961 12.9559 1 -1 -7 -7-16.0212 16.9919 1 1 7 7-19.8938 9.60132 1 1 7 7 -19.927 10.1088 1 -1 -7 -7-3.97346 14.5295 1 1 7 8 98.1439 25.7539 1 1 7 8 112.937 24.1975 1 1 7 8 60.7938 23.9935 1 -1 -7 -8 55.5625 26.0624 1 -1 -7 -8 99.6924 37.2689 1 1 7 8 140.676 33.9523 1 -1 -7 -8 96.9465 31.5309 1 -1 -7 -9 3.605 19.1503 1 1 7 9 21.9888 12.9613 1 1 7 9-3.14693 12.9986 1 -1 -7 -9-9.00717 17.5045 1 1 7 9-2.71915 13.1859 1 -1 -7 -9-0.95762 15.5713 1 1 7 9 2.75628 12.3481 1 1 7 10-9.39067 14.7525 1 -1 -7 -10 39.5576 23.413 1 1 7 10 -3.6231 14.3323 1 -1 -7 -10 9.45651 17.6861 1 1 7 10 37.1346 16.3577 1 -1 -7 -11 40.1374 24.2327 1 1 7 11 3.49299 16.384 1 -1 -7 -11 48.9783 22.9735 1 1 7 11 22.6616 16.2772 1 1 7 11 12.7881 16.787 1 1 7 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355.092 39.201 1 2 2 6 295.634 28.7793 1 -2 -2 -7 93.3382 19.9927 1 -2 -2 -7 121.267 28.2245 1 2 2 7 75.4126 16.4035 1 2 2 7 77.4591 20.3098 1 2 2 7 110.462 23.3857 1 2 2 7 107.156 23.3436 1 -2 -2 -7 83.7837 22.7245 1 2 2 7 106.981 26.4148 1 -2 -2 -8 396.765 39.2983 1 2 2 8 316.721 46.0603 1 2 2 8 291.41 30.3931 1 -2 -2 -8 273.301 29.0815 1 -2 -2 -8 356.445 46.1843 1 2 2 8 289.532 24.5679 1 2 2 8 354.197 35.8375 1 2 2 9-8.02716 10.3693 1 -2 -2 -9-8.64852 9.94534 1 -2 -2 -9-9.97195 11.1045 1 -2 -2 -9 9.00717 13.7157 1 2 2 9 5.4947 10.7992 1 2 2 9 1.95445 12.0074 1 2 2 10-7.55722 11.7769 1 -2 -2 -10-1.48326 12.0866 1 2 2 10 35.2915 15.2841 1 -2 -2 -10 10.2568 16.1949 1 -2 -2 -10 -6.7233 11.282 1 2 2 10 21.2782 13.4317 1 2 2 11 113.721 26.7766 1 -2 -2 -11 85.0633 29.482 1 2 2 11 82.929 26.4114 1 -2 -2 -11 39.6415 19.2127 1 -2 -2 -11 113.64 33.4755 1 2 2 11 106.611 31.6989 1 -2 -2 -12 8.00748 18.1443 1 2 2 12 28.104 17.1449 1 -2 -2 -12 17.8794 18.0999 1 2 2 12-6.02537 17.4155 1 2 2 12 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3 3 72.5954 14.7853 1 2 3 3 77.4605 15.7564 1 2 3 3 98.7192 22.3201 1 2 3 3 48.4796 12.9289 1 2 3 3 91.6012 16.3575 1 2 3 3 75.903 18.5348 1 2 3 3 70.4402 15.5549 1 2 3 3 52.8271 15.1846 1 2 3 4 16.3045 10.3194 1 2 3 4 45.7496 15.0981 1 2 3 4 24.4393 8.86833 1 2 3 4 29.1804 13.83 1 2 3 4 47.675 11.8173 1 2 3 4 10.2688 10.2288 1 2 3 4 20.7072 9.03079 1 2 3 4 34.3155 11.5659 1 2 3 5 115.404 21.1666 1 2 3 5 97.4821 20.9097 1 2 3 5 127.041 21.4261 1 -2 -3 -5 91.2014 21.0954 1 2 3 5 59.9019 16.5073 1 2 3 5 125.637 24.184 1 2 3 5 133.593 22.5705 1 2 3 5 89.6399 20.6006 1 -2 -3 -5 94.3756 20.2221 1 2 3 5 117.458 19.4854 1 2 3 6 142.754 26.7624 1 2 3 6 181.724 24.7861 1 -2 -3 -6 207.774 29.0059 1 -2 -3 -6 190.51 30.1268 1 2 3 6 197.65 29.9341 1 -2 -3 -6 177.571 33.0972 1 -2 -3 -6 164.316 25.9293 1 2 3 6 166.676 24.7141 1 2 3 6 155.809 26.9492 1 2 3 6 152.881 31.2205 1 -2 -3 -7 103.398 26.1539 1 -2 -3 -7 113.089 23.5644 1 -2 -3 -7 105.021 27.0113 1 2 3 7 106.394 20.1175 1 -2 -3 -7 130.168 22.2826 1 2 3 7 105.524 22.8832 1 2 3 7 118.321 29.1173 1 2 3 7 76.5485 20.5866 1 2 3 7 98.4744 22.5233 1 2 3 8 2.54227 9.72868 1 -2 -3 -8 6.95531 11.8461 1 2 3 8 4.38306 12.1185 1 2 3 8 26.5985 15.785 1 -2 -3 -8 17.2272 12.7983 1 -2 -3 -8 19.7338 15.4953 1 2 3 8 38.9533 17.1051 1 -2 -3 -8 23.9304 11.6319 1 2 3 8 13.9618 13.3906 1 2 3 9 21.4892 12.5914 1 -2 -3 -9 11.4251 13.2893 1 -2 -3 -9 21.8631 14.6456 1 2 3 9 18.4907 10.9643 1 2 3 9 33.0983 13.1316 1 -2 -3 -9 35.8509 15.6416 1 2 3 9 10.8948 12.6789 1 -2 -3 -10 20.8058 15.5343 1 2 3 10 17.2548 16.0038 1 2 3 10-5.97361 12.0174 1 -2 -3 -10 34.205 16.5692 1 -2 -3 -10 20.3236 18.1044 1 2 3 10 0.76068 11.6104 1 2 3 10 15.2937 15.0532 1 -2 -3 -11 16.6486 15.0228 1 2 3 11 37.0831 15.9247 1 2 3 11 15.6634 14.3423 1 -2 -3 -11-0.58128 13.6701 1 2 3 11 15.4753 18.1314 1 -2 -3 -11 37.4782 22.8032 1 2 3 12 60.2673 20.7982 1 -2 -3 -12 35.5984 17.6091 1 2 3 12 23.43 17.5652 1 2 3 12 62.3056 19.8788 1 -2 -3 -12 22.293 20.6636 1 -2 -3 -13 24.6442 17.3584 1 -2 -3 -13 19.8538 19.2641 1 2 3 13-3.34763 16.7682 1 2 3 13-30.9765 13.1416 1 -2 -3 -14 33.8594 26.6518 1 -2 -3 -14 4.94088 17.3482 1 2 3 14-2.46562 18.8029 1 2 3 14-14.7426 18.5559 1 2 3 15 32.013 22.271 1 -2 -3 -15 -3.6781 21.5675 1 2 3 15 10.6391 21.7486 1 -2 -3 -15 0.55982 24.6123 1 2 4 0 189.201 17.7648 1 2 4 0 200.432 21.8954 1 -2 -4 0 187.941 29.0176 1 2 4 0 188.495 11.0891 1 2 4 0 193.674 33.9564 1 2 4 0 197.338 30.379 1 -2 -4 0 186.807 27.0115 1 -2 -4 0 170.649 17.5074 1 2 4 1 659.553 33.0576 1 2 4 1 618.492 42.5743 1 -2 -4 -1 633.273 33.5005 1 -2 -4 -1 626.589 37.8932 1 2 4 1 631.233 46.9238 1 2 4 1 655.102 27.3222 1 -2 -4 -1 662.066 28.7712 1 2 4 1 650.843 39.549 1 2 4 2 188.976 16.0956 1 2 4 2 197.906 33.2896 1 2 4 2 231.992 31.9025 1 -2 -4 -2 191.406 21.7872 1 2 4 2 155.444 22.7791 1 -2 -4 -2 207.255 27.4334 1 2 4 2 158.506 18.3126 1 2 4 2 181.253 22.9602 1 2 4 2 187.567 26.3311 1 2 4 3 222.417 20.5778 1 2 4 3 226.073 22.0205 1 2 4 3 260.252 33.4356 1 2 4 3 217.904 23.5626 1 2 4 3 202.846 20.1942 1 2 4 3 236.084 27.7917 1 2 4 3 311.802 38.7064 1 2 4 3 253.578 21.501 1 2 4 4 528.866 35.7729 1 2 4 4 483.021 35.5693 1 2 4 4 502.559 40.1765 1 2 4 4 510.847 35.6373 1 2 4 4 464.214 32.6338 1 2 4 4 458.144 31.552 1 2 4 4 545.581 39.8132 1 2 4 4 415.475 30.9937 1 2 4 5 140.771 23.1166 1 2 4 5 177.964 28.5667 1 2 4 5 105.398 21.5193 1 2 4 5 109.706 21.0863 1 2 4 5 120.668 24.0549 1 2 4 5 112.267 22.6725 1 -2 -4 -5 119.204 24.4224 1 2 4 5 106.941 23.4425 1 2 4 5 91.5988 22.8176 1 2 4 6 543.809 39.6741 1 2 4 6 578.403 41.4337 1 2 4 6 515.38 39.5138 1 2 4 6 607.387 44.2957 1 -2 -4 -6 551.367 43.5923 1 2 4 6 586.209 39.5703 1 2 4 6 611.553 48.3802 1 -2 -4 -6 592.922 43.6046 1 -2 -4 -6 540.019 41.3749 1 2 4 6 558.395 40.2873 1 2 4 7 24.6572 12.9093 1 -2 -4 -7 18.7341 14.4156 1 2 4 7 1.56139 8.84789 1 2 4 7 12.1477 9.25115 1 -2 -4 -7 5.96518 8.95777 1 2 4 7 10.5532 10.6735 1 2 4 7 2.51215 8.94765 1 -2 -4 -7 6.09464 13.3246 1 2 4 8 39.8978 15.6115 1 2 4 8 4.25938 9.4007 1 2 4 8 27.1419 14.1725 1 2 4 8 31.9173 15.3935 1 -2 -4 -8 29.8906 15.5054 1 2 4 8 8.88793 8.77788 1 -2 -4 -8 5.84286 12.257 1 -2 -4 -8 23.4126 14.6393 1 -2 -4 -8 30.7636 14.7138 1 2 4 9 22.0886 16.6668 1 2 4 9 3.61825 11.5664 1 -2 -4 -9 17.9194 16.2659 1 -2 -4 -9 1.92939 12.4761 1 2 4 9 21.1881 13.852 1 2 4 9 2.3521 10.079 1 -2 -4 -9 2.76314 12.8082 1 2 4 10 26.6738 12.4414 1 2 4 10 24.571 14.6127 1 -2 -4 -10 13.5763 15.9205 1 -2 -4 -10 21.7779 16.2559 1 2 4 10 29.2644 14.8129 1 -2 -4 -10 38.4979 17.0651 1 2 4 10 2.20502 12.6388 1 2 4 11 16.6867 16.4363 1 2 4 11 40.0412 20.0561 1 2 4 11 46.9902 22.2495 1 -2 -4 -11 51.3939 25.8124 1 -2 -4 -11 48.6292 19.193 1 2 4 11 15.8141 13.0017 1 -2 -4 -11 88.0739 27.3014 1 -2 -4 -12 14.1349 16.8881 1 -2 -4 -12-17.5186 14.1713 1 2 4 12-10.9193 12.0904 1 2 4 12-7.55722 16.1669 1 -2 -4 -12-21.1034 14.1657 1 2 4 13 -17.585 13.5517 1 -2 -4 -13 8.178 17.4384 1 -2 -4 -13-5.63823 18.7341 1 2 4 13-32.3337 15.686 1 -2 -4 -14-1.00968 21.6132 1 2 4 14-11.1554 19.5847 1 -2 -4 -14 70.856 31.7406 1 2 4 14 19.2865 15.6535 1 2 4 15-31.2767 17.8355 1 2 4 15-27.9737 21.6295 1 -2 -4 -15 1.03227 23.4115 1 -2 -4 -15-25.1521 24.9623 1 2 5 0 937.053 33.3742 1 -2 -5 0 942.07 51.9443 1 2 5 0 977.452 54.817 1 2 5 0 902.606 44.6901 1 -2 -5 0 844.224 40.4019 1 2 5 0 792.034 59.824 1 -2 -5 0 894.464 55.8959 1 2 5 1 127.551 12.7439 1 -2 -5 -1 91.6139 27.0307 1 2 5 1 111.445 20.0069 1 2 5 1 158.53 33.7846 1 2 5 1 152.717 29.1652 1 -2 -5 -1 141.356 26.4479 1 -2 -5 -1 168.815 22.6072 1 -2 -5 -1 121.864 13.8772 1 2 5 1 90.974 21.4987 1 -2 -5 -2 431.734 28.4645 1 -2 -5 -2 410.687 39.6435 1 -2 -5 -2 417.853 33.3298 1 2 5 2 374.999 39.8686 1 2 5 2 371.328 33.5287 1 2 5 2 409.426 37.5033 1 2 5 2 446.403 27.0633 1 2 5 2 412.201 30.9686 1 2 5 2 403.155 26.5435 1 2 5 3 39.8909 12.0881 1 -2 -5 -3 49.7747 21.3756 1 2 5 3 42.1952 15.3724 1 2 5 3 72.70 15.0648 1 -2 -5 -3 63.0336 15.296 1 2 5 3 39.6377 17.823 1 2 5 3 56.4983 15.5343 1 2 5 3 43.1664 14.876 1 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19.0132 1 2 5 7 80.0859 20.9665 1 2 5 7 71.0163 23.0918 1 2 5 8 44.1772 18.8921 1 -2 -5 -8 77.5241 23.608 1 -2 -5 -8 65.7993 24.1233 1 2 5 8 55.6167 17.641 1 -2 -5 -8 51.1073 21.4914 1 2 5 8 74.8367 19.3189 1 2 5 8 49.8348 17.4831 1 2 5 8 75.3144 24.5421 1 -2 -5 -8 78.1259 24.281 1 -2 -5 -9-2.80304 13.267 1 -2 -5 -9 34.3092 19.0543 1 2 5 9-3.21287 10.4493 1 2 5 9 35.14 16.8948 1 2 5 9 20.7974 13.9219 1 -2 -5 -9 11.7113 15.4259 1 2 5 9 14.8828 13.9909 1 -2 -5 -10 133.00 31.5945 1 2 5 10 128.575 24.7759 1 -2 -5 -10 64.6597 25.6328 1 2 5 10 95.5117 25.9339 1 2 5 10 124.634 27.3048 1 -2 -5 -10 119.934 34.107 1 2 5 10 90.6896 25.1068 1 -2 -5 -11-0.33916 16.2895 1 2 5 11 27.3903 14.2115 1 -2 -5 -11 9.9018 15.9251 1 2 5 11 68.4961 20.0969 1 2 5 11 55.9078 22.7101 1 -2 -5 -11 24.7822 18.6843 1 2 5 12 27.26 15.324 1 -2 -5 -12 30.1764 20.4252 1 -2 -5 -12 28.978 25.1377 1 2 5 12 22.2507 17.6203 1 2 5 12 5.46467 13.9219 1 -2 -5 -12 25.8119 23.1129 1 -2 -5 -13-17.0946 17.1847 1 2 5 13 11.9673 18.2617 1 2 5 13 1.23271 13.9106 1 2 5 13 1.11095 15.6033 1 -2 -5 -13 39.4969 27.2803 1 2 5 14-29.5974 19.3643 1 -2 -5 -14 4.80057 19.6533 1 -2 -5 -14 12.676 21.4133 1 2 5 14 39.5939 18.4262 1 -2 -6 0 55.2192 17.1763 1 -2 -6 0 93.5753 28.4017 1 2 6 0 51.3831 10.1435 1 2 6 0 97.3549 31.501 1 -2 -6 0 55.6969 12.4695 1 2 6 0 29.4568 13.6664 1 2 6 0 30.2605 11.3568 1 -2 -6 -1 112.569 29.7333 1 -2 -6 -1 123.451 19.3276 1 -2 -6 -1 120.407 26.1265 1 2 6 1 83.4627 23.4633 1 2 6 1 98.2312 29.7783 1 2 6 1 79.3751 18.6659 1 2 6 1 123.071 17.9333 1 2 6 2-1.79943 7.26772 1 2 6 2 10.8893 6.46562 1 -2 -6 -2 3.35765 8.09846 1 -2 -6 -2 20.4142 21.0948 1 -2 -6 -2 25.5027 12.2412 1 2 6 2 16.9978 11.4517 1 2 6 2 1.03227 6.39407 1 2 6 2 28.601 17.2187 1 2 6 3 8.59864 8.32936 1 -2 -6 -3 15.4808 18.7432 1 -2 -6 -3 8.30894 7.54724 1 2 6 3-6.74788 8.34741 1 -2 -6 -3 7.92707 10.2191 1 2 6 3 24.8874 17.2122 1 2 6 3 9.09001 7.80723 1 2 6 3 13.7727 14.8782 1 2 6 3 15.5233 8.37731 1 2 6 4 142.184 22.335 1 -2 -6 -4 148.142 28.5599 1 2 6 4 130.892 24.4344 1 2 6 4 152.98 29.8301 1 -2 -6 -4 153.277 36.8196 1 2 6 4 84.1797 27.3878 1 2 6 4 160.872 32.8477 1 -2 -6 -4 131.329 22.7352 1 2 6 4 155.232 24.8091 1 2 6 4 171.536 29.346 1 2 6 5 6.87588 8.84759 1 -2 -6 -5 5.18462 11.17 1 2 6 5-1.30091 13.5895 1 -2 -6 -5 15.0305 17.2421 1 2 6 5-2.05935 9.2471 1 2 6 5 9.3083 8.66779 1 2 6 5-28.1628 9.94915 1 2 6 5 4.98761 9.43657 1 -2 -6 -5 4.46143 16.2723 1 2 6 5-5.05151 7.48708 1 2 6 5-9.11005 6.89523 1 2 6 6 132.482 24.8699 1 2 6 6 98.9681 26.4027 1 2 6 6 89.262 23.3944 1 2 6 6 97.6435 24.9633 1 -2 -6 -6 81.9065 25.5679 1 -2 -6 -6 89.5673 29.4892 1 -2 -6 -6 127.569 33.1561 1 2 6 6 86.8343 24.6005 1 2 6 6 83.2581 22.5176 1 2 6 6 100.331 22.9626 1 2 6 6 65.5785 19.2885 1 2 6 7 141.291 30.6495 1 -2 -6 -7 75.6552 27.4671 1 -2 -6 -7 99.7596 28.3119 1 2 6 7 88.3406 25.5681 1 2 6 7 99.7187 25.7239 1 2 6 7 105.743 25.5182 1 2 6 7 137.486 27.4934 1 -2 -6 -7 51.2527 23.592 1 -2 -6 -7 64.1099 23.7834 1 2 6 7 127.854 23.8452 1 2 6 7 84.4124 21.3602 1 2 6 8 23.9126 15.0533 1 -2 -6 -8 17.1686 17.7861 1 2 6 8-12.4561 12.826 1 2 6 8 7.96681 14.1121 1 2 6 8 13.3204 13.6512 1 2 6 8-0.03003 13.5121 1 -2 -6 -8 27.6013 18.2545 1 -2 -6 -8 39.5276 23.6169 1 -2 -6 -8 53.3076 24.3501 1 2 6 9 87.1245 25.9537 1 2 6 9 83.0741 17.3277 1 -2 -6 -9 57.6119 21.3941 1 -2 -6 -9 87.0538 28.0019 1 2 6 9 87.6798 22.7434 1 -2 -6 -9 79.4792 27.776 1 2 6 9 103.017 26.8609 1 -2 -6 -10 13.9156 17.4546 1 2 6 10-2.79615 11.9363 1 2 6 10 12.1904 13.0512 1 -2 -6 -10 9.30688 20.0502 1 2 6 10 19.4142 14.423 1 2 6 11 21.4784 15.8337 1 2 6 11-10.7136 14.1813 1 2 6 11 9.59186 15.4753 1 -2 -6 -11 14.7754 18.3243 1 -2 -6 -11 23.3514 22.1789 1 -2 -6 -11-22.1051 15.6613 1 -2 -6 -12 0.0902 17.2079 1 2 6 12-9.66827 13.7918 1 -2 -6 -12 21.0976 21.2174 1 2 6 12-11.1145 14.6824 1 2 6 12 1.48338 16.3873 1 -2 -6 -12 19.9837 19.6439 1 2 6 13 7.20642 18.5924 1 2 6 13 27.8613 16.1057 1 -2 -6 -13 -2.9064 20.3748 1 2 6 13 33.4486 18.2859 1 -2 -6 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1 -2 -7 -4 56.4804 20.5592 1 2 7 4 54.3965 15.0939 1 2 7 4 89.3481 27.5531 1 2 7 4 40.6595 12.7887 1 -2 -7 -5 123.77 29.149 1 2 7 5 144.508 27.484 1 -2 -7 -5 180.096 41.0534 1 2 7 5 170.288 26.806 1 -2 -7 -5 191.234 43.1364 1 2 7 5 154.202 35.7022 1 2 7 5 150.238 29.5091 1 -2 -7 -5 107.475 22.9145 1 2 7 5 136.412 35.5855 1 2 7 5 125.558 31.8834 1 -2 -7 -6 23.1607 16.555 1 2 7 6 31.821 18.2051 1 2 7 6 29.1742 12.7183 1 2 7 6-1.57134 10.6891 1 2 7 6 11.9873 9.98281 1 2 7 6 36.9584 17.125 1 2 7 6 22.0196 13.7124 1 -2 -7 -6 14.8404 22.3557 1 -2 -7 -6 25.7927 20.9132 1 -2 -7 -6 28.8184 18.3048 1 2 7 7 8.75749 10.0386 1 -2 -7 -7 14.8631 16.2896 1 -2 -7 -7-9.50663 20.5043 1 2 7 7 25.9531 12.9018 1 -2 -7 -7-9.93886 12.7514 1 2 7 7-7.88752 12.4661 1 2 7 7-1.11722 13.0077 1 -2 -7 -7-9.66976 16.2723 1 2 7 7-9.73142 9.87177 1 2 7 7-13.2301 9.78237 1 -2 -7 -8 167.747 37.2122 1 2 7 8 164.876 30.7942 1 2 7 8 130.432 30.8692 1 2 7 8 155.261 33.6431 1 -2 -7 -8 121.056 33.9417 1 2 7 8 122.85 29.2768 1 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1 3 6 4 319.48 49.3092 1 -3 -6 -4 249.599 25.6094 1 3 6 4 329.782 30.9641 1 3 6 4 320.639 28.7294 1 -3 -6 -4 311.027 33.9466 1 -3 -6 -5-7.53672 9.55856 1 3 6 5 -1.3267 7.67095 1 3 6 5 11.3464 8.59738 1 3 6 5 18.1262 9.42861 1 3 6 5 11.6581 15.0405 1 3 6 5-28.1827 11.3234 1 3 6 5 16.3072 10.1633 1 -3 -6 -5-9.10074 8.87026 1 3 6 5 16.6066 9.82175 1 3 6 5 6.96596 7.37634 1 3 6 6 38.9878 19.36 1 3 6 6 114.862 22.4839 1 3 6 6 79.2651 21.2548 1 3 6 6 53.608 18.301 1 3 6 6 71.2929 18.7848 1 3 6 6 77.9744 23.528 1 3 6 6 54.0482 16.3556 1 3 6 6 49.2821 19.3472 1 3 6 7 136.009 29.7082 1 3 6 7 132.113 31.2395 1 3 6 7 173.531 34.1392 1 -3 -6 -7 102.705 28.7805 1 -3 -6 -7 167.921 35.8861 1 3 6 7 143.038 29.3201 1 3 6 7 133.498 27.9639 1 3 6 7 191.236 32.6394 1 3 6 7 166.938 31.5946 1 3 6 7 128.067 29.8994 1 -3 -6 -7 138.486 28.7844 1 3 6 8 11.7982 16.2314 1 3 6 8 18.1355 12.661 1 3 6 8 2.52921 11.6963 1 3 6 8-8.83788 11.5704 1 3 6 8 13.9418 9.88261 1 -3 -6 -8-4.15967 16.2895 1 -3 -6 -8 3.63487 17.3379 1 3 6 8-1.43315 10.6134 1 -3 -6 -8-0.18994 14.6354 1 3 6 9 60.6181 19.6356 1 3 6 9 71.6978 22.3903 1 -3 -6 -9 80.1063 27.672 1 3 6 9 114.478 30.3381 1 3 6 9 88.8092 23.2627 1 -3 -6 -9 95.2634 29.7777 1 -3 -6 -9 101.856 30.2764 1 -3 -6 -9 80.8146 24.1438 1 3 6 10-6.27381 12.2369 1 3 6 10 5.48469 13.5316 1 -3 -6 -10 3.82843 16.5965 1 -3 -6 -10 4.35917 16.7185 1 3 6 10 1.68384 12.2479 1 -3 -6 -10 4.06872 16.6148 1 3 6 10-16.0343 15.3037 1 3 6 11 10.1231 13.9218 1 -3 -6 -11-1.98937 16.4948 1 -3 -6 -11 7.8904 16.8282 1 3 6 11 5.06433 16.314 1 3 6 11 10.7537 13.5198 1 -3 -6 -11 0.8619 17.0575 1 3 6 12-7.57648 15.3331 1 -3 -6 -12 48.5168 23.2817 1 3 6 12 19.7851 16.5177 1 3 6 12-1.87413 13.0387 1 -3 -6 -12-18.1543 15.8151 1 -3 -6 -13 3.64885 19.9237 1 3 6 13 28.2043 19.7251 1 -3 -6 -13 45.5102 23.7326 1 3 6 13 7.59649 19.1264 1 3 6 14 44.0203 20.3668 1 -3 -6 -14 25.7319 24.0026 1 -3 -6 -14 27.2099 23.2313 1 3 6 14 21.1581 17.1348 1 -3 -7 0 80.1659 29.702 1 3 7 0 114.674 22.5659 1 3 7 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19.1548 1 -5 -4 -5 46.075 18.2621 1 -5 -4 -5 45.5289 19.3871 1 5 4 5 52.2003 13.9364 1 -5 -4 -5 91.6217 22.6916 1 -5 -4 -6 269.243 39.2248 1 5 4 6 238.644 37.6126 1 5 4 6 184.859 33.8698 1 5 4 6 226.786 35.9105 1 -5 -4 -6 239.665 28.0917 1 5 4 6 257.949 21.3935 1 5 4 6 242.346 42.0955 1 -5 -4 -6 265.377 42.4646 1 -5 -4 -7 -6.3139 14.6823 1 -5 -4 -7 19.5913 11.1126 1 5 4 7 5.12438 8.39719 1 -5 -4 -7-1.85942 10.1968 1 5 4 7-6.10391 10.0629 1 5 4 7 14.095 7.36186 1 5 4 7 -24.269 11.7116 1 5 4 7-17.5522 12.4388 1 5 4 7-4.73422 12.0908 1 -5 -4 -7-4.03345 10.469 1 5 4 8 1.91204 12.3287 1 5 4 8-15.8341 10.0891 1 5 4 8 22.391 11.6768 1 -5 -4 -8 25.5266 13.1676 1 5 4 8 12.6288 13.7597 1 -5 -4 -8 7.82669 14.1721 1 -5 -4 -8 13.8806 14.0009 1 5 4 8 8.0669 10.6091 1 -5 -4 -8 3.94876 11.2365 1 5 4 9 66.6494 24.7231 1 -5 -4 -9 88.5157 28.7059 1 5 4 9 85.4848 24.7878 1 5 4 9 62.3633 21.5693 1 5 4 9 94.2157 24.3592 1 -5 -4 -9 57.5119 19.5747 1 -5 -4 -9 116.396 30.0382 1 5 4 10 21.2189 15.484 1 5 4 10 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43.5272 13.8225 1 5 5 0 35.4189 9.37774 1 5 5 0 50.3848 16.8988 1 5 5 0 51.8862 22.3663 1 -5 -5 0 47.0572 16.9191 1 5 5 1 95.822 22.8653 1 -5 -5 -1 65.496 15.2444 1 -5 -5 -1 62.2619 19.0543 1 5 5 1 71.9474 12.2183 1 -5 -5 -1 79.2707 23.8528 1 5 5 1 67.2369 26.9098 1 5 5 1 55.5588 22.2782 1 -5 -5 -2 11.5263 12.5486 1 -5 -5 -2 1.55342 5.66247 1 -5 -5 -2 3.48298 7.03602 1 5 5 2 14.4655 7.21788 1 5 5 2 10.7975 19.4836 1 5 5 2 25.9431 13.0519 1 -5 -5 -2-1.96175 11.6003 1 5 5 2 6.82305 6.83306 1 5 5 2 10.9445 15.0375 1 5 5 3 131.549 18.559 1 5 5 3 148.173 33.1367 1 -5 -5 -3 144.849 32.5127 1 5 5 3 149.279 24.9428 1 5 5 3 148.123 33.7275 1 -5 -5 -3 142.363 20.5197 1 -5 -5 -3 163.593 29.5615 1 -5 -5 -3 128.66 25.405 1 5 5 3 108.036 26.6863 1 5 5 4 53.6866 15.8915 1 5 5 4 56.3893 26.5993 1 5 5 4 50.7787 19.9977 1 -5 -5 -4 15.0228 13.1013 1 5 5 4 24.7921 14.5632 1 -5 -5 -4 27.2421 14.2327 1 5 5 4 30.8803 10.2773 1 -5 -5 -4 46.9533 15.3545 1 5 5 5 426.555 41.7068 1 5 5 5 372.674 31.4455 1 5 5 5 408.715 42.3335 1 -5 -5 -5 361.646 33.0809 1 5 5 5 361.434 34.105 1 5 5 5 402.079 41.1492 1 5 5 5 419.458 27.4345 1 -5 -5 -5 401.886 38.3564 1 -5 -5 -5 436.363 30.992 1 -5 -5 -5 361.579 44.7229 1 5 5 6-9.40656 16.3014 1 -5 -5 -6-2.58919 10.1368 1 -5 -5 -6 4.56039 11.837 1 -5 -5 -6 2.41532 14.1511 1 5 5 6-3.83049 7.66098 1 5 5 6-1.56951 7.45766 1 5 5 6 8.33531 15.5852 1 5 5 6 6.14548 12.7814 1 5 5 6 1.30297 9.29117 1 -5 -5 -6 22.1389 16.8946 1 5 5 7 4.85433 16.2645 1 5 5 7-13.8518 8.5174 1 5 5 7 8.76999 10.5441 1 -5 -5 -7-3.08679 13.9206 1 -5 -5 -7 16.6542 16.2039 1 5 5 7-9.91537 8.45905 1 -5 -5 -7-5.35832 11.3864 1 5 5 7 10.5474 20.6745 1 5 5 7-2.80831 12.02 1 5 5 8 89.6166 25.7836 1 5 5 8 70.2477 22.4083 1 -5 -5 -8 112.266 30.7483 1 -5 -5 -8 114.504 25.8745 1 -5 -5 -8 139.978 31.3819 1 5 5 8 114.28 30.9642 1 5 5 8 115.973 29.629 1 5 5 8 94.7158 24.1968 1 -5 -5 -8 172.342 30.6989 1 5 5 9 27.8134 14.3429 1 -5 -5 -9 14.8126 15.0332 1 5 5 9 3.6231 11.1896 1 -5 -5 -9 7.80667 17.3048 1 5 5 9 11.0999 14.553 1 -5 -5 -9 8.03747 12.6161 1 5 5 9 18.7231 18.8933 1 5 5 10 59.3714 26.6394 1 5 5 10 54.6767 22.1496 1 -5 -5 -10 37.6782 19.3043 1 -5 -5 -10 52.595 26.0528 1 5 5 10 50.0847 16.976 1 5 5 10 33.5164 16.3476 1 -5 -5 -10 40.3588 23.3617 1 5 5 11 16.8844 16.0438 1 5 5 11 17.6903 14.6034 1 -5 -5 -11 7.69658 17.565 1 -5 -5 -11 44.4178 22.9008 1 -5 -5 -11 4.05872 15.3152 1 5 5 11-6.07542 13.7223 1 5 5 12-31.1278 15.0538 1 5 5 12 0.66056 15.4032 1 -5 -5 -12-45.7891 18.6865 1 5 5 12-4.48021 14.7236 1 -5 -5 -12 29.7207 20.5538 1 -5 -5 -12-15.9551 17.6088 1 5 5 13 -4.7142 16.3846 1 -5 -5 -13 57.6893 32.158 1 -5 -5 -13 13.0959 18.8741 1 5 5 13-11.5664 15.0944 1 5 5 13 14.5424 16.7144 1 -5 -5 -13 41.7218 23.472 1 -5 -5 -14 27.0615 24.9123 1 -5 -5 -14 30.3769 26.5386 1 5 5 14 55.9799 21.3499 1 5 5 14 8.57955 18.1614 1 -5 -5 -14-54.0362 26.9736 1 5 5 14 11.70 16.6743 1 -5 -6 0 8.03687 7.73666 1 5 6 0 5.17837 6.39801 1 5 6 0-12.6488 17.3622 1 -5 -6 0-6.99594 8.75999 1 5 6 0-5.04746 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-9-31.8626 22.4113 1 -12 -7 0 12.0174 20.9778 1 12 7 0 4.00334 30.4334 1 12 7 0 33.3733 36.7358 1 -12 -7 0-12.7514 20.178 1 -12 -7 -1 18.0912 22.1606 1 -12 -7 -1 1.78159 22.2398 1 12 7 1 45.5903 33.1525 1 12 7 1-42.0093 37.0662 1 12 7 2-5.45729 23.9105 1 -12 -7 -2 17.7304 19.8253 1 12 7 2 26.6986 38.0867 1 -12 -7 -2-30.5973 21.2292 1 12 7 3 9.38096 27.1769 1 -12 -7 -3 2.79249 20.3782 1 -12 -7 -3-33.5464 18.7931 1 12 7 3-13.7796 35.725 1 -12 -7 -4-2.25201 21.7494 1 -12 -7 -4-19.3565 20.5276 1 -12 -7 -4 15.6657 21.028 1 12 7 4-2.63184 36.7456 1 12 7 4-34.2973 26.022 1 -12 -7 -5-15.6239 21.1089 1 -12 -7 -5-16.4976 21.0681 1 12 7 5 30.9016 38.5771 1 12 7 5 10.576 26.8881 1 -12 -7 -5-8.19701 20.6076 1 -12 -7 -6 13.0497 25.899 1 -12 -7 -6-48.4114 21.1386 1 12 7 6-24.0001 26.8783 1 12 7 6 16.2445 25.1225 1 -12 -7 -6 4.484 19.8177 1 12 7 6 28.0596 36.7358 1 -12 -7 -7 -26.893 21.2483 1 -12 -7 -7-22.8204 19.7077 1 -12 -7 -7 9.23104 23.3733 1 12 7 7 3.90348 26.864 1 12 7 7 6.90128 30.4334 1 12 7 7 27.5492 27.9697 1 12 7 8 8.78784 25.5028 1 12 7 8 31.472 30.2313 1 12 7 8-2.65893 27.157 1 -12 -7 -8 20.6885 20.9588 1 -12 -7 -8 13.9019 23.9605 1 -12 -7 -8-23.6238 22.8422 1 -12 -8 0 10.8196 21.7795 1 -12 -8 -1-26.3735 22.20 1 12 8 1 13.4294 42.8199 1 -12 -8 -1-32.1332 22.7019 1 12 8 1-22.3669 26.7588 1 12 8 2 -1.5811 38.5969 1 -12 -8 -2-17.3796 18.6426 1 -12 -8 -2 21.1689 21.9097 1 12 8 2 -9.2515 26.0715 1 12 8 3 16.5916 39.8879 1 -12 -8 -3-31.9385 21.6496 1 12 8 3 31.2898 27.924 1 -12 -8 -3-25.1273 19.685 1 -12 -8 -4 22.6416 21.7096 1 12 8 4-29.1288 27.3862 1 12 8 4 8.56598 34.5641 1 -12 -8 -4-25.6729 22.0398 1 12 8 5 31.718 28.0435 1 12 8 5-39.6276 35.7852 1 -12 -8 -5 17.1353 25.9432 1 -12 -8 -5 39.8408 23.8446 1 12 8 6-25.0259 26.6592 1 -12 -8 -6-5.59274 24.2453 1 12 8 6-15.2907 30.2111 1 -12 -8 -6-52.1665 22.3606 1 -12 -8 -7 66.0305 31.1817 1 12 8 7 -44.411 30.0514 1 12 8 7 44.0993 30.7678 1 -12 -8 -7 15.1035 23.3909 1 13 -1 2 17.4222 41.0287 1 -13 1 -2-22.4592 16.7845 1 13 -1 3 70.9448 29.8768 1 -13 1 -3 26.2424 17.1248 1 13 -1 3-56.6195 38.037 1 13 -1 4-1.55108 36.6556 1 13 -1 4 79.0311 31.809 1 -13 1 -4 4.64397 16.2239 1 13 -1 5-21.8989 30.4135 1 13 -1 5-16.2613 34.4241 1 -13 1 -5 41.7157 18.196 1 -13 0 -1-20.0758 19.6248 1 13 0 1 34.5741 36.0153 1 -13 0 -1 1.70145 22.9196 1 13 0 1 -66.802 27.3772 1 13 0 2 14.1013 27.9338 1 -13 0 -2 6.61566 21.4283 1 -13 0 -2-35.8317 18.4724 1 13 0 2 22.4056 33.9438 1 13 0 3-43.5504 36.2056 1 -13 0 -3 6.22418 17.4097 1 -13 0 -3 6.56561 21.6285 1 13 0 3-40.5612 28.8005 1 -13 0 -4 16.9745 20.5777 1 -13 0 -4-18.6926 17.971 1 13 0 4 6.16435 28.4516 1 13 0 4-7.29509 35.3947 1 -13 0 -5 11.8101 21.8587 1 13 0 5-27.9795 32.803 1 -13 0 -5 15.2949 18.2316 1 13 0 5-55.4194 30.2648 1 13 0 6 37.2749 31.9075 1 13 0 6-53.1271 34.6847 1 -13 0 -6 3.949 20.5268 1 -13 0 -6 11.0895 17.9254 1 13 0 7-29.5306 35.2347 1 13 0 7 2.44218 27.2843 1 -13 0 -7 0.51116 23.243 1 -13 0 -7 34.5495 20.3977 1 -13 -1 0 2.60222 26.9931 1 -13 -1 0-53.8427 18.8837 1 -13 -1 -1 28.8847 26.2126 1 13 1 1-40.0035 27.4163 1 -13 -1 -1-15.4452 18.8731 1 13 1 1 18.9732 37.6563 1 13 1 2 25.3644 28.4418 1 13 1 2-26.5085 31.1919 1 -13 -1 -2-13.3805 17.3396 1 -13 -1 -2 17.7552 20.918 1 -13 -1 -3 21.7986 22.0089 1 -13 -1 -3-8.00825 16.8685 1 13 1 3-32.5827 31.9225 1 13 1 3 48.548 28.8605 1 -13 -1 -4 12.1778 17.55 1 13 1 4-28.2325 28.641 1 -13 -1 -4-25.5018 19.8872 1 13 1 4-5.24366 31.8222 1 -13 -1 -5-4.61051 17.3997 1 13 1 5 22.8259 32.5328 1 13 1 5 3.26641 28.6109 1 -13 -1 -5 22.179 25.5219 1 13 1 6-6.63463 33.5634 1 13 1 6 41.5571 29.9757 1 -13 -1 -6 14.2422 26.0523 1 13 1 6 71.754 33.2005 1 -13 -1 -6-38.0667 20.2264 1 13 1 7-30.1469 24.2518 1 -13 -1 -7 5.04149 21.489 1 13 1 7-4.21247 31.1404 1 13 1 7-0.91063 34.434 1 -13 -1 -7-11.7801 24.561 1 13 1 8-56.0691 33.624 1 -13 -2 0-17.0889 18.8631 1 13 2 0 39.2765 27.0777 1 -13 -2 0 34.5495 33.6189 1 -13 -2 -1 18.8761 26.1324 1 13 2 1-20.5844 36.4655 1 -13 -2 -1 14.6233 21.2585 1 13 2 1-43.8575 26.1716 1 -13 -2 -2 13.5208 16.7983 1 -13 -2 -2 23.45 20.1474 1 13 2 2-0.52036 35.3246 1 13 2 2 26.2109 28.4916 1 -13 -2 -3 7.39686 17.7705 1 -13 -2 -3 9.39804 19.3366 1 13 2 3 -34.367 25.9722 1 13 2 3 15.5108 34.8343 1 13 2 4-16.9893 28.0035 1 -13 -2 -4-0.40091 16.9286 1 13 2 4 52.6968 35.6754 1 -13 -2 -4 37.7136 19.3176 1 -13 -2 -4 27.9439 21.5286 1 13 2 4-14.0325 26.6338 1 13 2 5 14.8504 33.5835 1 -13 -2 -5 11.0895 21.5084 1 -13 -2 -5 4.75083 19.1737 1 13 2 5 24.0815 28.996 1 13 2 5-1.04565 27.6151 1 -13 -2 -6 7.48706 21.3487 1 13 2 6-9.40656 32.0824 1 13 2 6 2.60232 23.7412 1 -13 -2 -6 3.68315 23.0197 1 13 2 6-4.97928 31.3197 1 -13 -2 -7 -20.637 19.9155 1 13 2 7-14.9404 31.2418 1 13 2 7 39.3861 32.1466 1 -13 -2 -7 7.94679 22.4992 1 13 2 7 22.0497 24.3819 1 13 2 8 2.99267 26.9941 1 -13 -2 -8 -5.0916 19.9755 1 -13 -2 -8 15.8636 23.5502 1 13 2 8-10.3672 25.768 1 -13 -3 0-17.2393 18.9833 1 13 3 0 24.4881 28.2725 1 13 3 0-18.5129 34.8043 1 -13 -3 0 6.64568 27.0631 1 -13 -3 -1 8.35905 18.5022 1 -13 -3 -1 6.40548 23.1098 1 13 3 1-15.2665 27.5853 1 13 3 1 28.1897 34.5943 1 -13 -3 -2 3.74854 16.8584 1 13 3 2 13.1892 38.7971 1 -13 -3 -2-16.9445 19.4967 1 13 3 2-35.6915 27.2469 1 13 3 3-21.6997 29.2185 1 13 3 3 125.488 50.7673 1 -13 -3 -3 3.14269 17.3248 1 -13 -3 -3-5.32475 20.6284 1 -13 -3 -3-10.7846 17.1892 1 13 3 4-25.1075 33.7937 1 13 3 4 23.3508 30.4473 1 -13 -3 -4 15.8742 20.7085 1 -13 -3 -4 21.6185 23.0498 1 -13 -3 -4-14.8238 15.9765 1 13 3 4 20.3752 29.1986 1 13 3 5 73.9423 32.7648 1 -13 -3 -5-23.5401 21.7287 1 13 3 5 26.7539 31.5282 1 -13 -3 -5 7.90802 19.7149 1 13 3 5-25.4177 35.2147 1 -13 -3 -5 34.3306 17.3058 1 13 3 6 27.884 29.1688 1 -13 -3 -6-29.6554 21.2784 1 -13 -3 -6-1.43327 20.0657 1 13 3 6 28.5799 37.4663 1 13 3 6-8.87792 27.5446 1 13 3 7-21.6897 31.3795 1 -13 -3 -7 42.6765 27.5839 1 13 3 7 90.0428 47.3641 1 13 3 7-28.9858 23.5712 1 -13 -3 -7 15.8561 20.6672 1 -13 -3 -8-3.58306 29.0949 1 13 3 8 0.84075 25.5428 1 -13 -3 -8 20.6471 23.1929 1 13 3 8 70.4091 36.9866 1 13 4 0 10.6158 29.0591 1 -13 -4 0 20.7277 26.9531 1 -13 -4 0 24.0247 21.0782 1 13 4 0-42.5497 37.7366 1 -13 -4 -1-4.18358 21.2782 1 13 4 1 34.1081 27.9042 1 13 4 1-10.6574 35.2446 1 -13 -4 -1 11.9572 20.1961 1 13 4 2 18.6125 26.9878 1 -13 -4 -2-14.9127 19.5167 1 -13 -4 -2-29.5774 16.6883 1 13 4 2-6.89481 36.7356 1 -13 -4 -2 44.5497 27.6551 1 -13 -4 -3 9.1982 26.1934 1 13 4 3 61.8625 26.3215 1 13 4 3-66.0361 31.6129 1 -13 -4 -3 9.34799 20.1472 1 -13 -4 -3-41.3943 17.2798 1 13 4 4-14.5893 26.1413 1 -13 -4 -4 13.2413 21.9088 1 -13 -4 -4 25.4227 20.7287 1 13 4 4 5.81406 35.4948 1 -13 -4 -4-13.3805 16.5678 1 13 4 4 3.79338 23.0105 1 13 4 5 15.8742 27.7548 1 13 4 5 26.0982 49.5447 1 -13 -4 -5 28.7256 20.2783 1 -13 -4 -5-19.1564 21.5585 1 13 4 5-9.73947 28.83 1 -13 -4 -5-2.09477 17.4197 1 -13 -4 -6 4.62395 21.1181 1 13 4 6-10.1691 27.2643 1 13 4 6 3.23653 30.8118 1 13 4 6-21.2748 33.5435 1 -13 -4 -6-0.19043 22.1204 1 -13 -4 -6 26.5136 19.7378 1 13 4 7 51.556 37.4866 1 -13 -4 -7-11.1996 24.0005 1 13 4 7-5.57497 26.2334 1 13 4 7-24.0698 31.7679 1 -13 -4 -7-4.93124 19.8853 1 13 4 8 14.8733 28.6056 1 -13 -4 -8 2.03464 19.9354 1 -13 -4 -8 12.811 27.4535 1 13 4 8 11.8883 28.5099 1 13 5 1-4.36304 39.7277 1 -13 -5 -1 -41.497 24.1019 1 13 5 1 18.8316 28.2127 1 -13 -5 -1 13.2903 20.1961 1 -13 -5 -1 18.5358 24.7612 1 13 5 2 19.947 27.5753 1 13 5 2-45.3516 36.6959 1 -13 -5 -2 26.2097 17.5201 1 -13 -5 -2-6.91591 20.8578 1 -13 -5 -2-19.8377 22.5602 1 13 5 3 39.4359 28.9897 1 -13 -5 -3-13.4707 17.4799 1 -13 -5 -3 2.20196 23.8613 1 -13 -5 -3 20.5275 20.5777 1 13 5 3 55.4587 41.4193 1 13 5 4 29.9553 28.4319 1 -13 -5 -4-1.00089 23.2307 1 -13 -5 -4-7.72661 19.1063 1 13 5 4 -1.1508 36.7156 1 -13 -5 -4-5.38227 18.0311 1 -13 -5 -5-12.8693 17.2794 1 13 5 5 36.8657 33.5437 1 13 5 5 35.9205 30.2942 1 -13 -5 -5 29.4852 27.904 1 13 5 5 -22.45 24.6121 1 -13 -5 -5 24.4218 22.3301 1 13 5 6 -13.942 29.2085 1 -13 -5 -6 1.94443 20.2461 1 13 5 6 18.9869 28.4154 1 13 5 6-15.3007 32.2926 1 -13 -5 -6-2.35201 22.5293 1 -13 -5 -6 60.2838 22.541 1 -13 -5 -7 12.4784 21.5491 1 13 5 7 30.9014 31.8676 1 13 5 7 8.77783 27.9249 1 13 5 7-1.89132 34.9344 1 -13 -5 -7 15.9042 19.7077 1 -13 -5 -7 -18.676 22.9397 1 -13 -6 -2 31.7872 20.6679 1 -13 -6 -2 15.9965 19.1537 1 -13 -6 -2 12.9415 24.0115 1 13 6 2 13.7096 40.7885 1 13 6 3-17.9325 37.5763 1 -13 -6 -3-43.5388 24.3722 1 -13 -6 -3 7.89675 19.0263 1 13 6 3 26.1711 29.2584 1 -13 -6 -3-4.47019 17.7404 1 13 6 4-12.9791 38.9372 1 -13 -6 -4-18.6366 23.7713 1 -13 -6 -4 -5.7932 18.3017 1 13 6 4-9.61997 26.3902 1 -13 -6 -4 19.9771 21.2282 1 13 6 5-11.1635 26.8284 1 -13 -6 -5 10.1891 22.4801 1 -13 -6 -5 23.0597 26.0624 1 -13 -6 -5 24.7364 18.4322 1 13 6 5-8.32581 35.775 1 -13 -6 -6 24.1506 24.2709 1 13 6 6 4.44396 26.2734 1 13 6 6-59.3114 34.0544 1 -13 -6 -6-23.9113 20.6986 1 -13 -6 -6 33.6467 19.5849 1 0 0 0 0.00 0.00 1 ; loop_ _symmetry_equiv_pos_as_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 0.53153(17) 0.58348(13) 0.60149(12) 0.0623(6) Uani 1 1 d . . . . . Cu2 Cu 0.5 0 1 0.0644(7) Uani 1 2 d S . P . . O1 O 0.5243(8) 0.4477(6) 0.7293(6) 0.054(2) Uani 1 1 d . . . . . O2 O 0.3317(10) 0.0862(8) 0.9582(8) 0.075(3) Uani 1 1 d . . . . . O3 O 0.2791(13) 0.0724(10) 1.1530(10) 0.116(4) Uani 1 1 d D . . . . O4 O 0.3729(10) 0.5649(8) 0.5489(7) 0.065(2) Uani 1 1 d . . . . . O5 O 0.2727(10) 0.7373(8) 0.6620(8) 0.086(3) Uani 1 1 d . . . . . N1 N 0.5846(11) 0.7382(9) 0.5018(8) 0.067(3) Uani 1 1 d . . . . . N2 N 0.6573(10) 0.6292(9) 0.6822(7) 0.056(2) Uani 1 1 d . . . . . N3 N 0.6770(10) 0.5591(8) 0.7824(8) 0.055(2) Uani 1 1 d . . . . . N4 N 0.5615(10) 0.1739(9) 0.9985(8) 0.060(3) Uani 1 1 d . . . . . C1 C 0.5485(16) 0.7889(13) 0.4021(11) 0.083(4) Uani 1 1 d . . . . . H1 H 0.491304 0.749647 0.370877 0.1 Uiso 1 1 calc R U . . . C2 C 0.5969(17) 0.8991(13) 0.3469(12) 0.093(5) Uani 1 1 d . . . . . H2 H 0.573903 0.931188 0.277503 0.111 Uiso 1 1 calc R U . . . C3 C 0.6763(16) 0.9601(12) 0.3916(12) 0.081(4) Uani 1 1 d . . . . . H3 H 0.705437 1.035069 0.354106 0.097 Uiso 1 1 calc R U . . . C4 C 0.7140(14) 0.9136(11) 0.4905(11) 0.069(4) Uani 1 1 d . . . . . H4 H 0.768567 0.955779 0.522179 0.083 Uiso 1 1 calc R U . . . C5 C 0.6691(13) 0.8007(11) 0.5441(10) 0.062(3) Uani 1 1 d . . . . . C6 C 0.7013(13) 0.7356(13) 0.6484(10) 0.066(3) Uani 1 1 d . . . . . H6 H 0.752457 0.770238 0.689567 0.079 Uiso 1 1 calc R U . . . C7 C 0.6033(12) 0.4644(10) 0.7966(9) 0.054(3) Uani 1 1 d . . . . . C8 C 0.6084(12) 0.3746(10) 0.8964(9) 0.052(3) Uani 1 1 d . . . . . C9 C 0.6761(12) 0.3974(12) 0.9821(10) 0.058(3) Uani 1 1 d . . . . . H9 H 0.719209 0.469667 0.974671 0.069 Uiso 1 1 calc R U . . . C10 C 0.6775(14) 0.3133(13) 1.0748(10) 0.070(4) Uani 1 1 d . . . . . H10 H 0.715596 0.330998 1.13448 0.084 Uiso 1 1 calc R U . . . C11 C 0.6211(14) 0.1992(12) 1.0807(10) 0.069(4) Uani 1 1 d . . . . . H11 H 0.625495 0.140143 1.143223 0.083 Uiso 1 1 calc R U . . . C12 C 0.5521(12) 0.2639(10) 0.9090(10) 0.058(3) Uani 1 1 d . . . . . H12 H 0.505364 0.248974 0.854424 0.07 Uiso 1 1 calc R U . . . C13 C 0.2414(19) 0.0993(13) 1.0588(16) 0.079(4) Uani 1 1 d . . . . . C14 C 0.094(2) 0.1357(16) 1.0631(17) 0.116(6) Uani 1 1 d . . . . . H14A H 0.052012 0.205269 1.120161 0.14 Uiso 1 1 calc R U . . . H14B H 0.051254 0.060001 1.091678 0.14 Uiso 1 1 calc R U . . . C15 C 0.0590(18) 0.1809(15) 0.9507(17) 0.111(6) Uani 1 1 d . . . . . H15A H 0.111986 0.117983 0.890269 0.134 Uiso 1 1 calc R U . . . H15B H -0.038104 0.180598 0.959366 0.134 Uiso 1 1 calc R U . . . C16 C 0.0853(18) 0.3128(13) 0.9103(15) 0.103(5) Uani 1 1 d . . . . . H16A H 0.182111 0.314 0.902625 0.124 Uiso 1 1 calc R U . . . H16B H 0.030879 0.37643 0.969699 0.124 Uiso 1 1 calc R U . . . C17 C 0.0516(17) 0.3547(15) 0.7950(15) 0.101(5) Uani 1 1 d . . . . . H17A H -0.04648 0.3591 0.804362 0.121 Uiso 1 1 calc R U . . . H17B H 0.101249 0.287799 0.737072 0.121 Uiso 1 1 calc R U . . . C18 C 0.0882(18) 0.4899(15) 0.7473(14) 0.109(5) Uani 1 1 d . . . . . H18A H 0.025133 0.559193 0.796806 0.131 Uiso 1 1 calc R U . . . H18B H 0.180967 0.491949 0.752797 0.131 Uiso 1 1 calc R U . . . C19 C 0.0806(17) 0.5180(17) 0.6224(13) 0.100(5) Uani 1 1 d . . . . . H19A H -0.013978 0.522875 0.618225 0.121 Uiso 1 1 calc R U . . . H19B H 0.137812 0.444976 0.574023 0.121 Uiso 1 1 calc R U . . . C20 C 0.1265(18) 0.6433(14) 0.5724(14) 0.101(5) Uani 1 1 d . . . . . H20A H 0.056578 0.718037 0.60688 0.121 Uiso 1 1 calc R U . . . H20B H 0.136157 0.646499 0.488115 0.121 Uiso 1 1 calc R U . . . C21 C 0.2647(15) 0.6535(14) 0.5968(12) 0.067(4) Uani 1 1 d . . . . . O1W O 0.133(3) -0.080(2) 1.3396(15) 0.316(14) Uani 1 1 d D . . . . H1W H 0.040(15) -0.02(2) 1.32(3) 0.474 Uiso 1 1 d D U . . . H2W H 0.207(7) -0.04(2) 1.29(2) 0.474 Uiso 1 1 d D 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 0.1084(14) 0.0483(9) 0.0477(9) 0.0038(6) -0.0388(8) -0.0319(9) Cu2 0.0929(18) 0.0570(13) 0.0497(12) 0.0055(10) -0.0305(12) -0.0150(12) O1 0.082(6) 0.048(4) 0.050(4) 0.000(3) -0.039(4) -0.023(4) O2 0.096(7) 0.064(6) 0.068(6) 0.011(5) -0.030(6) -0.013(5) O3 0.180(12) 0.091(8) 0.085(8) -0.012(6) -0.036(8) -0.039(8) O4 0.088(7) 0.062(5) 0.066(5) 0.010(4) -0.049(5) -0.029(5) O5 0.129(9) 0.062(6) 0.072(6) -0.012(5) -0.034(6) -0.017(6) N1 0.113(9) 0.048(6) 0.047(6) -0.001(5) -0.029(6) -0.021(6) N2 0.086(7) 0.045(5) 0.045(5) 0.000(4) -0.025(5) -0.019(5) N3 0.080(7) 0.042(5) 0.051(6) -0.003(4) -0.025(5) -0.017(5) N4 0.085(8) 0.051(6) 0.047(6) 0.000(5) -0.030(5) -0.008(5) C1 0.147(14) 0.072(9) 0.057(8) 0.006(7) -0.048(9) -0.053(9) C2 0.157(15) 0.050(8) 0.075(9) 0.024(7) -0.037(10) -0.028(9) C3 0.137(14) 0.042(7) 0.068(9) 0.002(6) -0.023(9) -0.029(8) C4 0.100(11) 0.043(7) 0.069(9) 0.002(6) -0.017(8) -0.031(7) C5 0.092(10) 0.045(7) 0.054(7) -0.003(6) -0.024(7) -0.018(7) C6 0.078(10) 0.075(9) 0.060(8) 0.001(7) -0.025(7) -0.038(8) C7 0.068(8) 0.038(6) 0.052(7) -0.007(5) -0.016(6) 0.001(6) C8 0.061(8) 0.042(7) 0.049(7) 0.000(5) -0.016(6) 0.001(6) C9 0.051(8) 0.058(7) 0.064(8) -0.008(6) -0.013(6) -0.009(6) C10 0.098(11) 0.079(9) 0.039(7) 0.000(6) -0.027(7) -0.016(8) C11 0.106(11) 0.063(8) 0.042(7) 0.006(6) -0.034(7) -0.005(8) C12 0.087(9) 0.039(7) 0.054(7) -0.011(5) -0.027(7) -0.010(6) C13 0.109(14) 0.047(8) 0.100(13) 0.009(8) -0.054(11) -0.027(9) C14 0.127(17) 0.077(11) 0.128(16) -0.012(10) -0.026(13) 0.014(11) C15 0.120(14) 0.079(12) 0.136(15) -0.003(10) -0.045(12) -0.003(10) C16 0.132(14) 0.054(9) 0.125(14) 0.004(9) -0.043(12) -0.008(9) C17 0.106(13) 0.076(11) 0.119(14) -0.009(9) -0.033(11) -0.003(9) C18 0.141(15) 0.085(12) 0.106(13) -0.013(9) -0.029(11) -0.029(11) C19 0.112(13) 0.130(14) 0.082(11) -0.011(10) -0.055(10) -0.032(11) C20 0.156(16) 0.067(10) 0.103(12) 0.009(8) -0.067(11) -0.037(10) C21 0.079(11) 0.065(9) 0.067(9) 0.016(7) -0.042(8) -0.010(8) O1W 0.57(4) 0.32(3) 0.090(12) 0.067(15) -0.093(19) -0.15(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 0 '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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.006 '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 O4 Cu1 N2 166.1(4) . . ? O4 Cu1 O1 100.0(3) . . ? N2 Cu1 O1 78.8(3) . . ? O4 Cu1 N1 99.6(4) . . ? N2 Cu1 N1 80.9(4) . . ? O1 Cu1 N1 159.8(3) . . ? O4 Cu1 O4 77.7(4) . 2_666 ? N2 Cu1 O4 116.2(4) . 2_666 ? O1 Cu1 O4 95.0(3) . 2_666 ? N1 Cu1 O4 94.0(3) . 2_666 ? O2 Cu2 O2 180 2_657 . ? O2 Cu2 N4 91.5(4) 2_657 2_657 ? O2 Cu2 N4 88.5(4) . 2_657 ? O2 Cu2 N4 88.5(4) 2_657 . ? O2 Cu2 N4 91.5(4) . . ? N4 Cu2 N4 180 2_657 . ? C7 O1 Cu1 110.3(6) . . ? C13 O2 Cu2 103.0(9) . . ? C21 O4 Cu1 111.0(8) . . ? C21 O4 Cu1 145.1(7) . 2_666 ? Cu1 O4 Cu1 102.3(4) . 2_666 ? C1 N1 C5 117.3(10) . . ? C1 N1 Cu1 129.6(8) . . ? C5 N1 Cu1 113.0(7) . . ? C6 N2 N3 123.9(9) . . ? C6 N2 Cu1 116.1(8) . . ? N3 N2 Cu1 119.2(7) . . ? C7 N3 N2 106.6(9) . . ? C11 N4 C12 118.6(10) . . ? C11 N4 Cu2 120.3(8) . . ? C12 N4 Cu2 121.0(7) . . ? N1 C1 C2 120.0(12) . . ? C3 C2 C1 121.4(13) . . ? C2 C3 C4 120.5(12) . . ? C3 C4 C5 118.2(12) . . ? N1 C5 C4 122.4(11) . . ? N1 C5 C6 111.6(10) . . ? C4 C5 C6 126.0(11) . . ? N2 C6 C5 117.8(10) . . ? O1 C7 N3 125.0(10) . . ? O1 C7 C8 117.7(10) . . ? N3 C7 C8 117.4(10) . . ? C12 C8 C9 117.7(10) . . ? C12 C8 C7 121.5(10) . . ? C9 C8 C7 120.8(10) . . ? C10 C9 C8 119.5(11) . . ? C9 C10 C11 119.8(11) . . ? N4 C11 C10 121.3(10) . . ? C8 C12 N4 122.9(10) . . ? O3 C13 O2 120.3(15) . . ? O3 C13 C14 119.7(18) . . ? O2 C13 C14 119.8(14) . . ? C13 C14 C15 116.1(16) . . ? C16 C15 C14 115.1(15) . . ? C15 C16 C17 113.7(14) . . ? C16 C17 C18 114.2(13) . . ? C19 C18 C17 113.5(13) . . ? C18 C19 C20 113.9(12) . . ? C19 C20 C21 111.6(12) . . ? O5 C21 O4 121.2(13) . . ? O5 C21 C20 121.5(14) . . ? O4 C21 C20 117.2(12) . . ? 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 O4 1.923(8) . ? Cu1 N2 1.925(9) . ? Cu1 O1 1.987(7) . ? Cu1 N1 2.002(9) . ? Cu1 O4 2.301(9) 2_666 ? Cu2 O2 1.937(9) 2_657 ? Cu2 O2 1.937(9) . ? Cu2 N4 2.019(9) 2_657 ? Cu2 N4 2.019(9) . ? O1 C7 1.309(12) . ? O2 C13 1.293(18) . ? O3 C13 1.262(16) . ? O4 C21 1.308(15) . ? O5 C21 1.223(15) . ? N1 C1 1.362(14) . ? N1 C5 1.376(14) . ? N2 C6 1.273(13) . ? N2 N3 1.381(11) . ? N3 C7 1.327(13) . ? N4 C11 1.333(13) . ? N4 C12 1.369(13) . ? C1 C2 1.390(16) . ? C2 C3 1.342(18) . ? C3 C4 1.349(17) . ? C4 C5 1.394(15) . ? C5 C6 1.442(15) . ? C7 C8 1.454(14) . ? C8 C12 1.364(14) . ? C8 C9 1.417(15) . ? C9 C10 1.351(15) . ? C10 C11 1.404(16) . ? C13 C14 1.47(2) . ? C14 C15 1.48(2) . ? C15 C16 1.469(19) . ? C16 C17 1.501(19) . ? C17 C18 1.553(19) . ? C18 C19 1.498(19) . ? C19 C20 1.500(18) . ? C20 C21 1.534(18) . ? 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 H1 O1 0.93 2.47 3.278(13) 144.7 2_666 yes C4 H4 O1W 0.93 2.63 3.54(3) 164.9 2_667 yes C6 H6 O3 0.93 2.46 3.233(16) 140.5 2_667 yes C10 H10 O5 0.93 2.48 3.259(15) 141.7 2_667 yes O1W H2W O3 0.96(5) 2.01(3) 2.88(2) 151(13) . 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 C6 N2 N3 C7 172.6(11) . . . . ? Cu1 N2 N3 C7 3.4(11) . . . . ? C5 N1 C1 C2 0.2(19) . . . . ? Cu1 N1 C1 C2 179.5(10) . . . . ? N1 C1 C2 C3 -2(2) . . . . ? C1 C2 C3 C4 2(2) . . . . ? C2 C3 C4 C5 0(2) . . . . ? C1 N1 C5 C4 1.9(18) . . . . ? Cu1 N1 C5 C4 -177.5(9) . . . . ? C1 N1 C5 C6 -178.9(11) . . . . ? Cu1 N1 C5 C6 1.7(13) . . . . ? C3 C4 C5 N1 -2.2(19) . . . . ? C3 C4 C5 C6 178.7(13) . . . . ? N3 N2 C6 C5 -177.9(10) . . . . ? Cu1 N2 C6 C5 -8.5(15) . . . . ? N1 C5 C6 N2 4.3(17) . . . . ? C4 C5 C6 N2 -176.5(12) . . . . ? Cu1 O1 C7 N3 0.5(13) . . . . ? Cu1 O1 C7 C8 179.0(8) . . . . ? N2 N3 C7 O1 -2.4(15) . . . . ? N2 N3 C7 C8 179.0(9) . . . . ? O1 C7 C8 C12 10.6(16) . . . . ? N3 C7 C8 C12 -170.8(10) . . . . ? O1 C7 C8 C9 -171.3(10) . . . . ? N3 C7 C8 C9 7.4(16) . . . . ? C12 C8 C9 C10 -2.8(17) . . . . ? C7 C8 C9 C10 179.0(11) . . . . ? C8 C9 C10 C11 4.7(18) . . . . ? C12 N4 C11 C10 -2.0(18) . . . . ? Cu2 N4 C11 C10 173.4(9) . . . . ? C9 C10 C11 N4 -2.4(19) . . . . ? C9 C8 C12 N4 -1.6(17) . . . . ? C7 C8 C12 N4 176.5(10) . . . . ? C11 N4 C12 C8 4.0(17) . . . . ? Cu2 N4 C12 C8 -171.3(9) . . . . ? Cu2 O2 C13 O3 8.1(14) . . . . ? Cu2 O2 C13 C14 -167.2(11) . . . . ? O3 C13 C14 C15 173.0(13) . . . . ? O2 C13 C14 C15 -12(2) . . . . ? C13 C14 C15 C16 -72.5(19) . . . . ? C14 C15 C16 C17 178.9(15) . . . . ? C15 C16 C17 C18 -176.1(14) . . . . ? C16 C17 C18 C19 168.5(14) . . . . ? C17 C18 C19 C20 -175.4(14) . . . . ? C18 C19 C20 C21 48(2) . . . . ? Cu1 O4 C21 O5 2.6(15) . . . . ? Cu1 O4 C21 O5 -159.6(9) 2_666 . . . ? Cu1 O4 C21 C20 -174.4(9) . . . . ? Cu1 O4 C21 C20 23(2) 2_666 . . . ? C19 C20 C21 O5 -113.3(15) . . . . ? C19 C20 C21 O4 63.7(16) . . . . ?