#------------------------------------------------------------------------------ #$Date: 2019-05-13 18:02:48 +0300 (Mon, 13 May 2019) $ #$Revision: 215062 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/44/4514411.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_4514411 loop_ _publ_author_name 'Sun, Cunfa' 'Mammen, Nisha' 'Kaappa, Sami' 'Yuan, Peng' 'Deng, Guocheng' 'Zhao, Chaowei' 'Yan, Juanzhu' 'Malola, Sami' 'Honkala, Karoliina' 'H\"akkinen, Hannu' 'Teo, Boon K.' 'Zheng, Nanfeng' _publ_section_title ; Atomically Precise, Thiolated Copper-Hydride Nanoclusters as Single-Site Hydrogenation Catalysts for Ketones in Mild Conditions. ; _journal_name_full 'ACS nano' _journal_paper_doi 10.1021/acsnano.9b02052 _journal_year 2019 _chemical_formula_moiety 'C108 H64 Cl36 Cu25 S18, 3(C24 H20 P), C6 H13, C H2 Cl2, C6 H14' _chemical_formula_sum 'C193 H143 Cl38 Cu25 P3 S18' _chemical_formula_weight 6067.66 _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_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_date 2018-01-30 _audit_creation_method ; Olex2 1.2 (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _cell_angle_alpha 101.4694(16) _cell_angle_beta 90.9331(15) _cell_angle_gamma 110.275(2) _cell_formula_units_Z 2 _cell_length_a 19.4870(4) _cell_length_b 19.7839(5) _cell_length_c 32.2015(5) _cell_measurement_reflns_used 21469 _cell_measurement_temperature 150.01(10) _cell_measurement_theta_max 64.7200 _cell_measurement_theta_min 3.5170 _cell_volume 11363.7(4) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) ; _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 150.01(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 10.4741 _diffrn_detector_type Atlas _diffrn_measured_fraction_theta_full 0.984 _diffrn_measured_fraction_theta_max 0.984 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -47.00 36.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - -40.5672 37.0000 -60.0000 83 #__ type_ start__ end____ width___ exp.time_ 2 omega -95.00 -11.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - -40.5672 125.0000 30.0000 84 #__ type_ start__ end____ width___ exp.time_ 3 omega -120.00 0.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - -40.5672 -19.0000 120.0000 120 #__ type_ start__ end____ width___ exp.time_ 4 omega 24.00 71.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -30.0000 -90.0000 47 #__ type_ start__ end____ width___ exp.time_ 5 omega 29.00 124.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -77.0000 -120.0000 95 #__ type_ start__ end____ width___ exp.time_ 6 omega 61.00 167.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 30.0000 -180.0000 106 #__ type_ start__ end____ width___ exp.time_ 7 omega 100.00 155.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 125.0000 -180.0000 55 #__ type_ start__ end____ width___ exp.time_ 8 omega 87.00 148.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 45.0000 -120.0000 61 #__ type_ start__ end____ width___ exp.time_ 9 omega 101.00 149.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 125.0000 -30.0000 48 #__ type_ start__ end____ width___ exp.time_ 10 omega 141.00 166.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 125.0000 0.0000 25 #__ type_ start__ end____ width___ exp.time_ 11 omega 94.00 140.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 125.0000 60.0000 46 #__ type_ start__ end____ width___ exp.time_ 12 omega 32.00 74.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -30.0000 30.0000 42 #__ type_ start__ end____ width___ exp.time_ 13 omega 68.00 121.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -77.0000 30.0000 53 #__ type_ start__ end____ width___ exp.time_ 14 omega 35.00 106.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -125.0000 60.0000 71 #__ type_ start__ end____ width___ exp.time_ 15 omega 29.00 56.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -77.0000 30.0000 27 #__ type_ start__ end____ width___ exp.time_ 16 omega 14.00 40.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -30.0000 -120.0000 26 #__ type_ start__ end____ width___ exp.time_ 17 omega 45.00 70.00 1.0000 5.0000 omega____ theta____ kappa____ phi______ frames - 91.1609 -125.0000 -150.0000 25 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Atlas' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0045099000 _diffrn_orient_matrix_UB_12 0.0698977000 _diffrn_orient_matrix_UB_13 -0.0121963000 _diffrn_orient_matrix_UB_21 0.0843273000 _diffrn_orient_matrix_UB_22 0.0363889000 _diffrn_orient_matrix_UB_23 0.0070989000 _diffrn_orient_matrix_UB_31 0.0057310000 _diffrn_orient_matrix_UB_32 -0.0320194000 _diffrn_orient_matrix_UB_33 -0.0469522000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0555 _diffrn_reflns_av_unetI/netI 0.0650 _diffrn_reflns_Laue_measured_fraction_full 0.984 _diffrn_reflns_Laue_measured_fraction_max 0.984 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_number 68335 _diffrn_reflns_point_group_measured_fraction_full 0.984 _diffrn_reflns_point_group_measured_fraction_max 0.984 _diffrn_reflns_theta_full 61.169 _diffrn_reflns_theta_max 61.169 _diffrn_reflns_theta_min 3.542 _diffrn_source 'sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 8.666 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.65590 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear reddish red' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier reddish _exptl_crystal_colour_primary red _exptl_crystal_density_diffrn 1.773 _exptl_crystal_description block _exptl_crystal_F_000 6010 _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _refine_diff_density_max 1.275 _refine_diff_density_min -0.958 _refine_diff_density_rms 0.123 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.068 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 2538 _refine_ls_number_reflns 34378 _refine_ls_number_restraints 137 _refine_ls_restrained_S_all 5.928 _refine_ls_R_factor_all 0.0774 _refine_ls_R_factor_gt 0.0556 _refine_ls_shift/su_max 3.165 _refine_ls_shift/su_mean 0.013 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+13.1454P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1432 _refine_ls_wR_factor_ref 0.1629 _reflns_Friedel_coverage 0.000 _reflns_number_gt 25776 _reflns_number_total 34378 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL scf-(3)-2017-10-19-4redblock-2_a.res in P-1 scf-(3)-2017-10-19-4redblock-2.res created by SHELXL-2016/4 at 15:22:55 on 30-Jan-2018 REM Old TITL scf-(3)-2017-10-19-4 red block-2 in P-1 #2 REM SHELXT solution in P-1 REM R1 0.148, Rweak 0.005, Alpha 0.069, Orientation as input REM Formula found by SHELXT: C172 N15 O P9 Cl48 Cu25 CELL 1.54184 19.487005 19.783922 32.2015 101.4694 90.9331 110.2753 ZERR 2 0.000431 0.000481 0.000474 0.0016 0.0015 0.0021 LATT 1 SFAC C H Cl Cu P S UNIT 386 286 76 50 6 36 DFIX 1.3 C0AA Cl0A Cl6 C0AA DFIX 2.5 Cl0A Cl6 DFIX 1.75 C10 C8 DFIX 1.7 Cl6 C0AA DFIX 1.7 Cl0A C0AA DFIX 1.45 C7 C11 DFIX 2.57 C1AA C10 DFIX 2.57 C8 C5 DFIX 1.6 C1AA C11 DFIX 2.4 C5 C8 DFIX 1.46 C8 C10 DFIX 1.38 C5 C10 DFIX 2.381 C7 C1AA DFIX 1.599 C8 C1AA DFIX 2.619 C11 C8 DFIX 1.85 Hh Cu04 DFIX 1.85 Hg Cu08 DFIX 1.85 He Cu0D DFIX 1.85 He Cu0C DFIX 1.85 Hi Cu0A DFIX 1.95 Hi Cu05 DFIX 2.3 Cu01 Hi FLAT C10 C8 C1AA C5 C11 C7 FLAT C5 C8 C10 C1AA C11 C7 ISOR 0.01 0.02 C1AA C0AA Cl0A Cl6 C10 C5 C8 C11 C7 ISOR 0.01 0.02 Cl6 C0AA Cl0A C8 C10 C1AA C11 C7 ISOR 0.01 0.02 C0AA Cl0A Cl6 C8 C10 C1AA C11 C7 C5 ISOR 0.01 0.02 C0AA Cl0A C8 C1AA C11 C10 C5 C07D C07H C07I Cl2A ISOR 0.01 0.02 C8 ISOR 0.001 0.002 C0AA ISOR 0.01 0.02 Cl0A ISOR 0.01 0.02 Cl6 ISOR 0.01 0.02 Cl0A C0AA H0Aa H0Ab Cl6 C11 C8 H8a H8b C10 C1AA H10a H10b C5 = H1AA H1AB H5A H5B H5C C7 H11A H11B H7A H7B H7C ISOR 0.01 0.02 C0AA Cl0A H0Aa H0Ab Cl6 C8 H8a H8b C10 C1AA H10a H10b C5 = H1AA H1AB C11 H5A H5B H5C C7 H11A H11B H7A H7B H7C ISOR 0.01 0.02 C0AA C8 H8a H8b C10 C1AA H10a H10b C5 H1Aa H1Ab C11 H5a H5b = H5C C7 H11A H11B H7A H7B H7C CL6 CL0A H0AA H0AB ISOR 0.01 0.02 Cl0A C0AA H0Aa H0Ab Cl6 C8 H8a H8b C10 C1AA H10a H10b C5 = H1AA H1AB C11 H5A H5B H5C C7 H11A H11B H7A H7B H7C ISOR 0.01 0.02 C8 H8a H8b C10 C1AA H10a H10b C5 H1Aa H1Ab C11 H5a H5b H5c = C7 H11A H11B H7A H7B H7C C0AA CL0A H0AA H0AB CL6 ISOR 0.01 0.02 Cl27 Cl29 ISOR 0.01 0.02 Cl29 ISOR 0.01 0.02 Cl6 Cl0A C0AA H0Aa H0Ab C8 H8a H8b C10 C1AA H10a H10b C5 = H1AA H1AB C11 H11B H5A H5B H5C C7 H11A H7A H7B H7C C07D H07C H07D C07F C07H = C07E H07F H07G H07K H07L C07I H07E C07G H07M H07N H07O H07H H07I H07J L.S. 10 PLAN 20 SIZE 0.1 0.2 0.5 BOND $H LIST 6 fmap 2 acta SHEL 999 0.88 REM REM REM WGHT 0.080000 13.145400 FVAR 1.33103 CU01 4 0.752645 0.576351 0.748019 11.00000 0.02768 0.02601 = 0.01927 0.00636 0.00220 0.01093 CU02 4 0.669770 0.610727 0.698040 11.00000 0.03004 0.03096 = 0.02221 0.00667 0.00113 0.01439 CU03 4 0.695210 0.484305 0.675599 11.00000 0.02981 0.03103 = 0.02071 0.00478 -0.00112 0.01489 CU04 4 0.775773 0.454935 0.722987 11.00000 0.03216 0.02828 = 0.02292 0.00746 0.00129 0.01423 CU05 4 0.691936 0.464324 0.783491 11.00000 0.03074 0.02769 = 0.02516 0.00964 0.00181 0.01293 CU06 4 0.611566 0.501472 0.739430 11.00000 0.02731 0.03122 = 0.02309 0.00685 -0.00001 0.01205 CU07 4 0.828022 0.562919 0.683068 11.00000 0.02897 0.03077 = 0.02134 0.00724 0.00394 0.01337 CU08 4 0.802412 0.683281 0.708172 11.00000 0.03104 0.03028 = 0.02491 0.00909 0.00641 0.01312 CU09 4 0.667969 0.585721 0.808862 11.00000 0.03218 0.02884 = 0.02290 0.00543 0.00500 0.01271 CU0A 4 0.888225 0.586663 0.763155 11.00000 0.02972 0.03478 = 0.02186 0.00609 0.00349 0.01553 CU0B 4 0.717102 0.692569 0.769559 11.00000 0.03424 0.02800 = 0.02300 0.00442 0.00556 0.01384 CU0C 4 0.806433 0.585308 0.823112 11.00000 0.03071 0.03439 = 0.01909 0.00771 0.00254 0.01060 CU0D 4 0.852041 0.695283 0.790752 11.00000 0.03184 0.02680 = 0.02622 0.00369 0.00196 0.00940 CU0E 4 0.778521 0.458015 0.847721 11.00000 0.03375 0.03552 = 0.02886 0.00883 -0.00118 0.01405 CU0F 4 0.974477 0.618767 0.702022 11.00000 0.03193 0.03855 = 0.02623 0.01047 0.00302 0.01317 CU0G 4 0.806578 0.793497 0.838684 11.00000 0.03547 0.03727 = 0.02898 0.00169 0.00616 0.01383 CU0H 4 0.821849 0.642239 0.624882 11.00000 0.04620 0.04109 = 0.02335 0.00552 -0.00031 0.02461 CU0I 4 0.753140 0.671001 0.879447 11.00000 0.03470 0.03564 = 0.03335 0.00194 0.00165 0.01412 CU0J 4 0.881802 0.459467 0.775644 11.00000 0.04083 0.03754 = 0.03039 0.01414 -0.00471 0.00932 CU0K 4 0.663443 0.546882 0.617330 11.00000 0.04602 0.04264 = 0.02654 0.01312 0.00932 0.02538 CU0L 4 0.571673 0.377557 0.682988 11.00000 0.04646 0.03144 = 0.03407 0.00862 0.00554 0.01412 CU0M 4 0.669362 0.329685 0.734928 11.00000 0.03482 0.03527 = 0.03425 0.00342 0.00244 0.00750 CU0N 4 0.586645 0.671960 0.805325 11.00000 0.03154 0.03755 = 0.04442 0.01283 0.00128 0.01425 CU0O 4 0.535003 0.575694 0.715922 11.00000 0.03821 0.04296 = 0.04178 0.01618 0.01248 0.02327 CU0P 4 0.938482 0.759312 0.737423 11.00000 0.03414 0.05239 = 0.02722 0.00818 0.00680 0.01456 S00Q 6 0.973221 0.534488 0.742676 11.00000 0.02998 0.03369 = 0.02407 0.00750 0.00280 0.01547 S00R 6 0.793491 0.352368 0.733756 11.00000 0.03265 0.02952 = 0.02909 0.00881 0.00202 0.01481 S0S 6 0.915051 0.596311 0.635802 11.00000 0.03239 0.03486 = 0.02000 0.00722 0.00461 0.01776 S0T 6 0.681447 0.362303 0.810292 11.00000 0.03137 0.02997 = 0.02945 0.01224 0.00363 0.01152 S00U 6 0.783014 0.569138 0.889832 11.00000 0.03258 0.03674 = 0.02055 0.00908 0.00342 0.01267 S00V 6 0.909425 0.819147 0.800850 11.00000 0.03318 0.02787 = 0.02927 0.00435 0.00666 0.00906 S0W 6 0.605611 0.420168 0.620792 11.00000 0.03040 0.03337 = 0.02335 0.00364 -0.00239 0.01366 S0X 6 0.885303 0.754927 0.670854 11.00000 0.03513 0.03059 = 0.02560 0.00882 0.00773 0.01498 S0Y 6 0.689379 0.780838 0.815857 11.00000 0.03475 0.02781 = 0.02820 0.00330 0.00442 0.01319 S0Z 6 0.626082 0.643172 0.865572 11.00000 0.03074 0.03421 = 0.02554 0.00641 0.00676 0.01297 S010 6 0.493853 0.446644 0.706148 11.00000 0.02851 0.03465 = 0.03140 0.00735 0.00017 0.01310 S011 6 0.890100 0.446377 0.843946 11.00000 0.03234 0.04043 = 0.02677 0.01268 0.00062 0.01539 S12 6 0.576203 0.592056 0.648093 11.00000 0.03487 0.03975 = 0.02420 0.00848 0.00068 0.02143 S13 6 0.739361 0.587570 0.568320 11.00000 0.04035 0.04096 = 0.02128 0.00903 0.00469 0.02054 S14 6 1.045527 0.738858 0.729884 11.00000 0.03345 0.03991 = 0.02679 0.00470 0.00656 0.01215 S15 6 0.828234 0.788843 0.907746 11.00000 0.03382 0.03699 = 0.03015 0.00048 0.00157 0.01348 S16 6 0.494710 0.656752 0.758632 11.00000 0.03226 0.04175 = 0.03617 0.01015 0.00507 0.01784 S17 6 0.557706 0.268971 0.700787 11.00000 0.03772 0.02981 = 0.04369 0.01053 -0.00160 0.00875 CL18 3 0.942860 0.859443 0.605191 11.00000 0.06503 0.04646 = 0.04102 0.01788 0.02263 0.02287 CL19 3 1.048209 0.555548 0.591726 11.00000 0.03575 0.05698 = 0.05351 -0.00099 0.00810 0.02017 CL1A 3 0.506206 0.677310 0.923743 11.00000 0.05381 0.04985 = 0.05341 0.00934 0.02207 0.02594 CL1B 3 0.779588 0.186680 0.715604 11.00000 0.07581 0.04073 = 0.05030 0.01476 0.00752 0.03288 CL1C 3 1.133927 0.585552 0.711622 11.00000 0.04252 0.07116 = 0.04024 0.00857 0.01522 0.02251 CL1D 3 0.819034 0.484377 0.956992 11.00000 0.05848 0.05153 = 0.03862 0.02316 -0.00111 0.01124 CL1E 3 0.358993 0.544965 0.691737 11.00000 0.04805 0.07183 = 0.03463 0.00724 -0.00119 0.02270 CL1F 3 0.959456 0.963651 0.876730 11.00000 0.05282 0.03717 = 0.06670 -0.00845 0.00170 0.01845 CL1G 3 1.055042 0.905141 0.722566 11.00000 0.05580 0.04034 = 0.06007 0.00837 0.01419 0.01897 P01H 5 0.803216 0.595657 0.421898 11.00000 0.03837 0.05907 = 0.02553 0.01060 0.00531 0.02368 CL1I 3 0.577081 0.567528 0.529091 11.00000 0.04513 0.07003 = 0.03826 0.01299 -0.00672 0.01569 CL1J 3 0.346398 0.304544 0.687370 11.00000 0.04568 0.05451 = 0.05066 0.00716 -0.00864 0.00187 CL1K 3 0.663573 0.313681 0.900137 11.00000 0.05951 0.09052 = 0.04265 0.03560 0.00949 0.03151 CL1L 3 0.857037 0.315094 0.488542 11.00000 0.07137 0.06214 = 0.03751 -0.01202 0.00025 0.03850 P01M 5 0.090340 0.258112 0.914489 11.00000 0.04760 0.05134 = 0.03652 0.00824 0.00696 0.02322 CL1N 3 0.626649 1.010467 0.725476 11.00000 0.07958 0.05461 = 0.07501 0.03495 0.02280 0.03979 CL1O 3 0.562102 0.372192 0.520465 11.00000 0.05776 0.09693 = 0.03073 0.00571 -0.00503 0.03848 P01P 5 0.415306 -0.063453 0.804603 11.00000 0.04651 0.03620 = 0.05659 0.00982 -0.00325 0.01414 CL1Q 3 0.906198 0.922956 0.987073 11.00000 0.04258 0.06162 = 0.06655 -0.01913 -0.01112 0.01672 CL1R 3 1.006097 0.389725 0.794280 11.00000 0.06734 0.06545 = 0.09258 0.03864 0.04951 0.03832 CL1S 3 1.096538 0.675797 0.989383 11.00000 0.04205 0.09144 = 0.05892 0.00379 -0.01698 0.02009 CL1T 3 0.444539 0.625634 0.606857 11.00000 0.05794 0.09509 = 0.07019 0.02452 -0.00531 0.04435 CL1U 3 1.186315 0.895812 0.929768 11.00000 0.05690 0.07219 = 0.06530 -0.02337 -0.02547 0.02533 CL1V 3 0.290363 0.355410 0.851489 11.00000 0.05875 0.09230 = 0.07346 0.03442 0.03405 0.02077 CL1W 3 0.190944 0.480314 0.817916 11.00000 0.05092 0.08670 = 0.09527 0.04273 0.03294 0.02178 CL1X 3 1.255451 0.716513 0.870616 11.00000 0.04059 0.08448 = 0.07432 -0.02582 -0.01841 0.01783 CL1Y 3 0.751086 0.951556 0.856863 11.00000 0.10807 0.03591 = 0.07185 -0.00649 -0.03416 0.01581 CL1Z 3 0.422395 0.409725 0.959719 11.00000 0.10058 0.06170 = 0.06636 0.03210 0.03957 0.00970 CL20 3 0.648637 0.946704 1.026695 11.00000 0.05845 0.09250 = 0.07462 -0.03733 0.00777 0.02978 CL21 3 0.860579 0.111566 0.805073 11.00000 0.08946 0.03872 = 0.11061 0.01054 -0.03137 0.01588 CL22 3 0.453188 0.216489 0.612865 11.00000 0.08163 0.06847 = 0.10021 0.00485 -0.04511 0.03295 CL23 3 0.371251 0.211150 0.869782 11.00000 0.05167 0.06690 = 0.15180 0.03307 0.04865 0.00886 CL24 3 0.673388 0.847020 0.511176 11.00000 0.14601 0.07614 = 0.07694 0.02403 -0.01267 0.06847 CL25 3 1.173320 0.874138 0.573941 11.00000 0.11751 0.09887 = 0.06413 0.04208 0.03753 0.01478 CL26 3 0.903626 0.209662 0.568394 11.00000 0.15924 0.14041 = 0.05506 0.01788 0.04474 0.11201 CL27 3 0.615109 0.903099 0.609878 11.00000 0.21617 0.06771 = 0.08495 0.03370 0.01841 0.08509 CL28 3 0.679959 0.162185 0.505313 11.00000 0.13623 0.06432 = 0.11008 -0.01985 0.03758 0.04896 CL29 3 0.567800 0.010780 0.552625 11.00000 0.22767 0.06575 = 0.06681 -0.01066 -0.02371 0.07957 CL2A 3 0.822612 1.047972 0.685576 11.00000 0.31592 0.11164 = 0.17252 0.09042 0.15125 0.16210 C02B 1 0.985542 0.839701 0.838966 11.00000 0.03190 0.03083 = 0.02256 0.00327 0.00625 0.00524 C02C 1 0.871887 0.600736 0.918488 11.00000 0.03411 0.03485 = 0.02269 0.00364 0.00362 0.01824 C02D 1 0.928380 0.663437 0.912676 11.00000 0.04175 0.03165 = 0.02739 0.00134 0.00028 0.01304 AFIX 43 H02D 2 0.919850 0.689740 0.893483 11.00000 -1.20000 AFIX 0 C02E 1 0.825226 0.313300 0.687084 11.00000 0.03646 0.03977 = 0.02943 0.00857 -0.00275 0.02062 C02F 1 0.881295 0.352641 0.833510 11.00000 0.02609 0.04390 = 0.03577 0.01442 -0.00229 0.01059 C02G 1 1.052640 0.583659 0.779634 11.00000 0.03545 0.03247 = 0.03001 0.00255 0.00581 0.01821 C02H 1 1.026842 0.794389 0.836956 11.00000 0.04019 0.02705 = 0.03311 0.00256 0.00895 0.00409 AFIX 43 H02H 2 1.012317 0.750759 0.816266 11.00000 -1.20000 AFIX 0 C02I 1 1.006960 0.903202 0.871341 11.00000 0.04701 0.03444 = 0.03798 0.00425 0.01102 0.00956 C02J 1 1.048507 0.599520 0.823340 11.00000 0.02691 0.04086 = 0.03027 0.00882 0.00070 0.01355 AFIX 43 H02J 2 1.002920 0.583240 0.833948 11.00000 -1.20000 AFIX 0 C02K 1 0.516317 0.592125 0.916916 11.00000 0.03543 0.04438 = 0.03356 0.00282 0.01041 0.01566 C02L 1 0.436634 0.419706 0.747067 11.00000 0.02494 0.03554 = 0.04162 0.01310 0.00303 0.01444 C02M 1 1.110306 0.638839 0.851487 11.00000 0.05022 0.04238 = 0.02852 -0.00653 -0.01162 0.02227 AFIX 43 H02M 2 1.106245 0.648798 0.880620 11.00000 -1.20000 AFIX 0 C02N 1 0.873798 0.393456 0.528775 11.00000 0.05080 0.04437 = 0.02239 0.00311 0.00713 0.02855 C02O 1 0.829144 0.466357 0.581085 11.00000 0.03510 0.04088 = 0.02590 0.00684 0.00389 0.02203 AFIX 43 H02O 2 0.789436 0.474681 0.593783 11.00000 -1.20000 AFIX 0 C02P 1 0.569165 0.576338 0.891746 11.00000 0.03799 0.03464 = 0.02560 0.00880 0.00226 0.01194 C02Q 1 0.899652 0.515115 0.596498 11.00000 0.03836 0.04208 = 0.02046 0.00851 0.00929 0.02331 C02R 1 0.957656 0.499243 0.575720 11.00000 0.03672 0.03940 = 0.02913 0.00967 0.00699 0.01943 C02S 1 0.575894 0.508470 0.889447 11.00000 0.05842 0.03423 = 0.02704 0.00749 0.01409 0.02069 AFIX 43 H02S 2 0.610908 0.497088 0.873084 11.00000 -1.20000 AFIX 0 C02T 1 1.122043 0.607153 0.765311 11.00000 0.04060 0.05024 = 0.03534 0.01198 0.00875 0.02477 C02U 1 0.589367 0.679525 0.636168 11.00000 0.05940 0.05463 = 0.01680 0.00746 0.00345 0.03621 C02V 1 0.451937 0.461698 0.788872 11.00000 0.03470 0.04046 = 0.03741 0.00832 0.00486 0.02001 AFIX 43 H02V 2 0.493971 0.503990 0.795507 11.00000 -1.20000 AFIX 0 C02W 1 0.344192 0.380437 0.810349 11.00000 0.03999 0.05158 = 0.05495 0.02376 0.01486 0.01997 C02X 1 0.944795 0.438944 0.541928 11.00000 0.04628 0.05190 = 0.02866 0.00804 0.01185 0.03256 AFIX 43 H02X 2 0.983640 0.429795 0.528589 11.00000 -1.20000 AFIX 0 C02Y 1 0.718676 0.659378 0.552076 11.00000 0.04509 0.04289 = 0.02493 0.00806 0.00439 0.01881 C02Z 1 1.184470 0.646521 0.793162 11.00000 0.01942 0.05082 = 0.05431 0.00088 0.00229 0.01176 AFIX 43 H02Z 2 1.230467 0.661587 0.782909 11.00000 -1.20000 AFIX 0 C030 1 0.815581 0.406286 0.547835 11.00000 0.04357 0.04353 = 0.02196 0.00028 -0.00438 0.02143 AFIX 43 H030 2 0.767652 0.374807 0.538399 11.00000 -1.20000 AFIX 0 C031 1 0.997061 0.687499 0.934882 11.00000 0.03288 0.04849 = 0.03783 0.00201 0.00248 0.01117 AFIX 43 H031 2 1.033935 0.730123 0.931157 11.00000 -1.20000 AFIX 0 C032 1 1.068556 0.921072 0.900097 11.00000 0.04180 0.03643 = 0.04102 -0.01075 -0.00156 0.00444 AFIX 43 H032 2 1.082422 0.963317 0.921797 11.00000 -1.20000 AFIX 0 C033 1 0.595166 0.330568 0.830696 11.00000 0.04294 0.02710 = 0.03508 0.01055 0.00516 0.01556 C034 1 0.631758 0.351776 0.588027 11.00000 0.03351 0.04227 = 0.03515 -0.00023 0.00305 0.01007 C035 1 0.871959 0.648373 0.465181 11.00000 0.04246 0.06503 = 0.02947 0.01457 0.01103 0.03039 C036 1 0.675256 0.845057 0.788665 11.00000 0.03428 0.03165 = 0.03549 0.00720 0.01296 0.01531 C037 1 1.081622 0.779708 0.687078 11.00000 0.03465 0.03097 = 0.03072 0.00455 0.00239 0.00594 C038 1 0.703013 0.819716 0.930320 11.00000 0.04251 0.05280 = 0.02610 -0.00485 -0.00205 0.01916 AFIX 43 H038 2 0.678119 0.783622 0.906467 11.00000 -1.20000 AFIX 0 C039 1 0.829574 0.861166 0.707854 11.00000 0.05652 0.04399 = 0.04396 0.01471 0.01752 0.02702 AFIX 43 H039 2 0.813721 0.832704 0.728006 11.00000 -1.20000 AFIX 0 C03A 1 0.372304 0.358915 0.738460 11.00000 0.03210 0.04578 = 0.04798 0.01855 0.00008 0.01636 C03B 1 0.778064 0.836584 0.938288 11.00000 0.04219 0.03642 = 0.02786 0.00615 0.00178 0.01295 C03C 1 1.087995 0.811402 0.864191 11.00000 0.03636 0.03931 = 0.03137 -0.00160 0.00422 0.01173 AFIX 43 H03C 2 1.115388 0.780762 0.861558 11.00000 -1.20000 AFIX 0 C03D 1 0.634928 0.822872 0.749110 11.00000 0.05861 0.03096 = 0.03132 0.00281 0.00574 0.01834 AFIX 43 H03D 2 0.618378 0.773337 0.735316 11.00000 -1.20000 AFIX 0 C03E 1 0.865636 0.837019 0.674170 11.00000 0.04538 0.03732 = 0.03661 0.00722 0.00965 0.02211 C03F 1 0.532605 0.456705 0.910524 11.00000 0.07079 0.04179 = 0.04473 0.01332 0.01453 0.01895 AFIX 43 H03F 2 0.538539 0.411594 0.908790 11.00000 -1.20000 AFIX 0 C03G 1 0.586853 0.303498 0.867696 11.00000 0.03608 0.03605 = 0.05306 0.02034 0.01365 0.01471 C03H 1 0.856808 0.353630 0.656813 11.00000 0.04040 0.06033 = 0.03598 0.01695 0.01084 0.02822 AFIX 43 H03H 2 0.861387 0.402946 0.661035 11.00000 -1.20000 AFIX 0 C03I 1 0.409223 0.606256 0.775098 11.00000 0.03730 0.03904 = 0.04231 0.01124 0.00668 0.02241 C03J 1 0.817691 0.240077 0.679170 11.00000 0.05505 0.04782 = 0.03743 0.01173 0.00321 0.03356 C03K 1 0.887669 0.617606 0.498280 11.00000 0.04206 0.05698 = 0.03314 0.00945 0.00397 0.02780 AFIX 43 H03K 2 0.862009 0.568313 0.498418 11.00000 -1.20000 AFIX 0 C03L 1 0.657098 0.736183 0.641228 11.00000 0.06671 0.04434 = 0.02678 0.01215 0.00338 0.01990 AFIX 43 H03L 2 0.697821 0.727781 0.651203 11.00000 -1.20000 AFIX 0 C03M 1 0.407187 0.442779 0.820474 11.00000 0.04182 0.05207 = 0.04068 0.01089 0.00961 0.02315 AFIX 43 H03M 2 0.419031 0.471299 0.848069 11.00000 -1.20000 AFIX 0 C03N 1 1.108003 0.874893 0.895556 11.00000 0.03930 0.04867 = 0.03731 -0.00282 0.00001 0.01203 C03O 1 0.397103 0.614859 0.817913 11.00000 0.04042 0.05963 = 0.02895 0.00681 0.00541 0.02363 AFIX 43 H03O 2 0.434758 0.647527 0.838022 11.00000 -1.20000 AFIX 0 C03P 1 0.774662 0.727620 0.554113 11.00000 0.06020 0.05124 = 0.03014 0.01311 0.00614 0.02276 AFIX 43 H03P 2 0.822220 0.734238 0.563875 11.00000 -1.20000 AFIX 0 C03Q 1 0.619109 0.872559 0.730070 11.00000 0.06061 0.04720 = 0.03038 0.00911 0.00397 0.02375 AFIX 43 H03Q 2 0.591478 0.856491 0.703825 11.00000 -1.20000 AFIX 0 C03R 1 0.672777 0.314941 0.604437 11.00000 0.05753 0.03336 = 0.04111 -0.00033 0.00828 0.02546 AFIX 43 H03R 2 0.690566 0.330146 0.633017 11.00000 -1.20000 AFIX 0 C03S 1 1.009930 0.647461 0.962508 11.00000 0.04422 0.06546 = 0.03440 -0.00193 -0.00440 0.02479 C03T 1 0.663764 0.854379 0.956395 11.00000 0.04048 0.05057 = 0.03921 -0.00941 -0.00108 0.01932 AFIX 43 H03T 2 0.613752 0.842191 0.949611 11.00000 -1.20000 AFIX 0 C03U 1 0.886062 0.562134 0.947347 11.00000 0.04744 0.04399 = 0.02143 0.00568 0.00171 0.01972 C03V 1 0.941853 0.661451 0.530786 11.00000 0.05531 0.06691 = 0.03378 0.01479 0.00754 0.03313 AFIX 43 H03V 2 0.953222 0.641069 0.552406 11.00000 -1.20000 AFIX 0 C03W 1 0.608081 0.328227 0.544791 11.00000 0.04011 0.06300 = 0.02580 -0.00353 -0.00088 0.01680 C03X 1 0.078681 0.344637 0.916460 11.00000 0.05750 0.04820 = 0.02335 0.00357 0.00448 0.02011 C03Y 1 0.842212 0.616483 0.373598 11.00000 0.05250 0.05443 = 0.02816 0.01051 0.00601 0.02214 C03Z 1 1.087359 0.850674 0.684319 11.00000 0.03649 0.04342 = 0.04423 0.01064 0.00733 0.01121 C040 1 0.954803 0.585087 0.969389 11.00000 0.05320 0.05251 = 0.02758 0.00496 -0.00351 0.02713 AFIX 43 H040 2 0.963823 0.558968 0.988552 11.00000 -1.20000 AFIX 0 C041 1 0.644363 0.946868 0.749991 11.00000 0.04327 0.04532 = 0.05842 0.02102 0.01214 0.02546 C042 1 0.743804 0.469169 0.453899 11.00000 0.04728 0.05821 = 0.02863 0.01081 0.00554 0.02540 AFIX 43 H042 2 0.736951 0.500065 0.477996 11.00000 -1.20000 AFIX 0 C043 1 0.910715 0.723150 0.466389 11.00000 0.05316 0.05984 = 0.02984 0.01115 -0.00007 0.02361 AFIX 43 H043 2 0.901333 0.743851 0.444413 11.00000 -1.20000 AFIX 0 C044 1 1.177797 0.663056 0.835971 11.00000 0.03113 0.04022 = 0.04698 -0.00483 -0.00761 0.01151 C045 1 0.653897 0.562003 0.415366 11.00000 0.03684 0.05467 = 0.05327 0.00899 0.00122 0.01964 AFIX 43 H045 2 0.650114 0.512989 0.411820 11.00000 -1.20000 AFIX 0 C046 1 0.472073 0.541202 0.938059 11.00000 0.04861 0.05187 = 0.04259 0.01386 0.02221 0.01404 AFIX 43 H046 2 0.437272 0.552540 0.954641 11.00000 -1.20000 AFIX 0 C047 1 0.350989 0.559101 0.746074 11.00000 0.03492 0.03916 = 0.03787 0.00983 0.00262 0.01789 C048 1 0.283418 0.519792 0.758820 11.00000 0.03691 0.04462 = 0.05775 0.00941 0.00299 0.01613 AFIX 43 H048 2 0.245139 0.487724 0.738902 11.00000 -1.20000 AFIX 0 C049 1 0.591473 0.579471 0.411522 11.00000 0.04143 0.07179 = 0.04428 0.01741 0.00785 0.02381 AFIX 43 H049 2 0.545468 0.542096 0.406636 11.00000 -1.20000 AFIX 0 C04A 1 0.930878 0.326987 0.811278 11.00000 0.04633 0.03941 = 0.03036 0.01037 0.00420 0.01572 C04B 1 0.776990 0.498707 0.419564 11.00000 0.03709 0.05379 = 0.03204 0.01474 0.00317 0.02203 C04C 1 0.530848 0.322869 0.807511 11.00000 0.03889 0.03218 = 0.04708 0.00826 0.00982 0.01617 AFIX 43 H04C 2 0.534595 0.342967 0.783506 11.00000 -1.20000 AFIX 0 C04D 1 0.803008 0.633811 0.343697 11.00000 0.04928 0.06532 = 0.02556 0.01037 -0.00024 0.02136 AFIX 43 H04D 2 0.756381 0.634768 0.348471 11.00000 -1.20000 AFIX 0 C04E 1 0.812033 0.893187 0.974189 11.00000 0.04234 0.04103 = 0.03376 -0.00043 -0.00225 0.01218 C04F 1 0.331111 0.576543 0.831486 11.00000 0.05327 0.06723 = 0.03874 0.01700 0.01721 0.03449 AFIX 43 H04F 2 0.324655 0.582232 0.860358 11.00000 -1.20000 AFIX 0 C04G 1 0.721798 0.394499 0.451346 11.00000 0.04980 0.07205 = 0.03761 0.02081 0.00175 0.02850 AFIX 43 H04G 2 0.700163 0.374560 0.473812 11.00000 -1.20000 AFIX 0 C04H 1 0.699906 0.919692 0.807671 11.00000 0.04361 0.03076 = 0.04734 -0.00108 -0.00213 0.01221 C04I 1 0.868909 0.203925 0.817215 11.00000 0.04265 0.03898 = 0.06729 0.01157 -0.01702 0.01467 C04J 1 0.479527 0.474604 0.934568 11.00000 0.06112 0.04870 = 0.04091 0.01600 0.01814 0.00921 C04K 1 0.721973 0.618139 0.424533 11.00000 0.04819 0.05983 = 0.02672 0.01059 0.00406 0.02822 C04L 1 1.108196 0.740712 0.654652 11.00000 0.04289 0.04357 = 0.04146 0.01048 0.01334 0.01095 AFIX 43 H04L 2 1.105740 0.693341 0.655811 11.00000 -1.20000 AFIX 0 C04M 1 0.978249 0.733742 0.531190 11.00000 0.04474 0.07608 = 0.03314 0.00008 0.00288 0.03125 AFIX 43 H04M 2 1.014612 0.762197 0.553068 11.00000 -1.20000 AFIX 0 C04N 1 0.824967 0.299313 0.849006 11.00000 0.03908 0.05730 = 0.07718 0.03735 0.01029 0.02510 AFIX 43 H04N 2 0.791388 0.313762 0.865252 11.00000 -1.20000 AFIX 0 C04O 1 0.484206 0.024219 0.804329 11.00000 0.04950 0.03474 = 0.04438 0.00940 0.01438 0.01617 C04P 1 0.840429 0.206673 0.642470 11.00000 0.07663 0.05365 = 0.04601 0.00021 0.00357 0.04400 AFIX 43 H04P 2 0.834216 0.156869 0.637420 11.00000 -1.20000 AFIX 0 C04Q 1 0.649484 0.650906 0.535502 11.00000 0.04431 0.05848 = 0.02322 0.00518 0.00043 0.02574 C04R 1 0.891726 0.881758 0.645845 11.00000 0.06231 0.04537 = 0.04417 0.02237 0.02363 0.02822 C04S 1 0.785608 0.451123 0.383465 11.00000 0.04244 0.05903 = 0.03165 0.00378 0.00368 0.02362 AFIX 43 H04S 2 0.806500 0.469663 0.360433 11.00000 -1.20000 AFIX 0 C04T 1 0.881453 0.321731 0.620640 11.00000 0.06125 0.08064 = 0.03808 0.01985 0.01706 0.05101 AFIX 43 H04T 2 0.903940 0.349776 0.601313 11.00000 -1.20000 AFIX 0 C04U 1 0.623306 0.268132 0.519256 11.00000 0.05648 0.05805 = 0.03907 -0.01267 0.01073 0.00968 AFIX 43 H04U 2 0.606676 0.252112 0.490507 11.00000 -1.20000 AFIX 0 C04V 1 0.458382 0.259243 0.855362 11.00000 0.04005 0.03441 = 0.09290 0.01465 0.02425 0.01423 C04W 1 0.325863 0.339007 0.770052 11.00000 0.03097 0.04370 = 0.06772 0.02293 0.00446 0.00979 AFIX 43 H04W 2 0.282818 0.297781 0.763539 11.00000 -1.20000 AFIX 0 C04X 1 0.924837 0.254001 0.802468 11.00000 0.05636 0.04836 = 0.04522 0.01013 -0.00011 0.02829 AFIX 43 H04X 2 0.958597 0.239137 0.786624 11.00000 -1.20000 AFIX 0 C04Y 1 0.173569 0.272312 0.944913 11.00000 0.04608 0.06268 = 0.03410 0.01682 0.01829 0.01937 C04Z 1 0.561907 0.199234 0.657870 11.00000 0.05423 0.03112 = 0.04688 0.00943 -0.01562 0.01175 C050 1 0.684291 0.970605 0.788417 11.00000 0.04973 0.03168 = 0.06754 0.01552 0.01362 0.01771 AFIX 43 H050 2 0.701091 1.020353 0.801794 11.00000 -1.20000 AFIX 0 C051 1 0.818770 0.226597 0.840577 11.00000 0.03712 0.05449 = 0.11901 0.04994 -0.00047 0.00999 AFIX 43 H051 2 0.780589 0.192269 0.850637 11.00000 -1.20000 AFIX 0 C052 1 0.731750 0.349662 0.415786 11.00000 0.04738 0.04960 = 0.05472 0.01325 -0.00515 0.02061 AFIX 43 H052 2 0.716772 0.299174 0.414419 11.00000 -1.20000 AFIX 0 C053 1 0.519095 0.266456 0.880509 11.00000 0.04840 0.04384 = 0.07206 0.02892 0.03194 0.01967 AFIX 43 H053 2 0.514966 0.247437 0.904925 11.00000 -1.20000 AFIX 0 C054 1 1.116484 0.880795 0.649782 11.00000 0.06062 0.04546 = 0.05321 0.02243 0.01257 0.01087 AFIX 43 H054 2 1.119517 0.928152 0.648178 11.00000 -1.20000 AFIX 0 C055 1 0.962289 0.766354 0.499463 11.00000 0.04877 0.05470 = 0.05411 0.01071 0.00840 0.01698 AFIX 43 H055 2 0.986179 0.816467 0.500714 11.00000 -1.20000 AFIX 0 C056 1 0.872336 0.248786 0.613740 11.00000 0.07509 0.07922 = 0.03127 0.00548 0.01126 0.05480 C057 1 0.010003 0.350299 0.919659 11.00000 0.05596 0.05632 = 0.03213 0.01106 -0.00693 0.02515 AFIX 43 H057 2 -0.030233 0.309005 0.921654 11.00000 -1.20000 AFIX 0 C058 1 0.761146 0.785819 0.541944 11.00000 0.06941 0.04678 = 0.04342 0.01221 0.00278 0.02112 AFIX 43 H058 2 0.798896 0.830986 0.543808 11.00000 -1.20000 AFIX 0 C059 1 0.609792 0.160867 0.662480 11.00000 0.07024 0.04163 = 0.05542 0.00437 -0.01135 0.02776 AFIX 43 H059 2 0.640693 0.174062 0.687362 11.00000 -1.20000 AFIX 0 C05A 1 0.687377 0.256934 0.579370 11.00000 0.06908 0.04811 = 0.07055 0.00866 0.01383 0.03291 AFIX 43 H05A 2 0.714114 0.233276 0.591058 11.00000 -1.20000 AFIX 0 C05B 1 0.636171 0.708997 0.523740 11.00000 0.06541 0.07606 = 0.03029 0.01032 0.00169 0.04467 AFIX 43 H05B 2 0.589097 0.702859 0.513347 11.00000 -1.20000 AFIX 0 C05C 1 0.060854 0.476968 0.918188 11.00000 0.10028 0.06189 = 0.03816 0.01600 -0.00094 0.03203 AFIX 43 H05C 2 0.054513 0.521542 0.918512 11.00000 -1.20000 AFIX 0 C05D 1 0.817127 0.926279 0.711714 11.00000 0.11727 0.05593 = 0.06551 0.02158 0.04672 0.06023 AFIX 43 H05D 2 0.793308 0.942367 0.734250 11.00000 -1.20000 AFIX 0 C05E 1 0.274883 0.529709 0.801644 11.00000 0.04153 0.06290 = 0.05313 0.02573 0.01955 0.02704 C05F 1 0.726765 0.691054 0.428980 11.00000 0.04103 0.06040 = 0.04483 0.00614 0.00273 0.02561 AFIX 43 H05F 2 0.772180 0.729170 0.435661 11.00000 -1.20000 AFIX 0 C05G 1 0.515607 0.174982 0.620745 11.00000 0.06454 0.03845 = 0.06067 0.01265 -0.01985 0.01749 C05H 1 0.014365 0.198791 0.935582 11.00000 0.05762 0.04829 = 0.04260 0.00717 0.00483 0.02472 C05I 1 0.328378 -0.050695 0.809647 11.00000 0.04582 0.03752 = 0.06082 0.01875 -0.00010 0.00924 C05J 1 0.763099 0.376862 0.382135 11.00000 0.04170 0.05797 = 0.04973 0.00268 -0.00286 0.02385 AFIX 43 H05J 2 0.769206 0.344985 0.358266 11.00000 -1.20000 AFIX 0 C05K 1 0.596850 0.651362 0.414851 11.00000 0.04661 0.07015 = 0.03763 0.01385 0.00317 0.02951 AFIX 43 H05K 2 0.554777 0.662425 0.411249 11.00000 -1.20000 AFIX 0 C05L 1 0.461966 0.286684 0.818735 11.00000 0.02830 0.03645 = 0.08102 0.01162 0.00158 0.00711 AFIX 43 H05L 2 0.419665 0.280909 0.802433 11.00000 -1.20000 AFIX 0 C05M 1 0.901346 0.646527 0.299754 11.00000 0.07177 0.08049 = 0.03832 0.01621 0.01693 0.03421 AFIX 43 H05M 2 0.921055 0.656556 0.274587 11.00000 -1.20000 AFIX 0 C05N 1 0.436170 -0.099725 0.848248 11.00000 0.04196 0.04167 = 0.07103 0.01875 -0.00789 0.01279 C05O 1 0.698744 0.906682 0.992220 11.00000 0.05307 0.05116 = 0.03953 -0.00622 0.00548 0.02122 C05P 1 0.018976 0.189150 0.976881 11.00000 0.06210 0.05603 = 0.06128 0.01124 0.01414 0.02879 AFIX 43 H05P 2 0.062468 0.213833 0.994464 11.00000 -1.20000 AFIX 0 C05Q 1 1.140214 0.839045 0.618652 11.00000 0.05512 0.07021 = 0.04251 0.02024 0.01316 0.01066 C05R 1 0.530946 0.693490 0.618809 11.00000 0.07422 0.06359 = 0.03683 0.01112 0.00578 0.04745 C05S 1 0.912130 0.615727 0.366144 11.00000 0.05251 0.08887 = 0.03446 0.01875 0.00817 0.03678 AFIX 43 H05S 2 0.939617 0.606115 0.386577 11.00000 -1.20000 AFIX 0 C05T 1 0.196516 0.326498 0.982368 11.00000 0.04787 0.11235 = 0.03455 -0.00575 0.00740 0.03443 AFIX 43 H05T 2 0.170394 0.357687 0.990362 11.00000 -1.20000 AFIX 0 C05U 1 0.667686 0.804117 0.632376 11.00000 0.09372 0.05142 = 0.03757 0.01685 0.00860 0.02540 AFIX 43 H05U 2 0.713987 0.840897 0.636015 11.00000 -1.20000 AFIX 0 C05V 1 0.214061 0.227033 0.933344 11.00000 0.06613 0.06724 = 0.04494 0.01380 0.01029 0.03825 AFIX 43 H05V 2 0.201091 0.191622 0.907977 11.00000 -1.20000 AFIX 0 C05W 1 0.664028 0.706621 0.423458 11.00000 0.05680 0.06054 = 0.04207 0.00596 0.00007 0.03009 AFIX 43 H05W 2 0.667489 0.755296 0.425616 11.00000 -1.20000 AFIX 0 C05X 1 0.833198 0.649549 0.307033 11.00000 0.05890 0.08177 = 0.03948 0.02136 0.00715 0.03550 AFIX 43 H05X 2 0.807528 0.662252 0.287129 11.00000 -1.20000 AFIX 0 C05Y 1 0.773981 0.927070 1.000954 11.00000 0.04832 0.04688 = 0.03849 -0.01583 -0.00099 0.01780 AFIX 43 H05Y 2 0.798421 0.963456 1.024790 11.00000 -1.20000 AFIX 0 C05Z 1 0.940632 0.629247 0.328422 11.00000 0.04982 0.10041 = 0.04462 0.01826 0.01416 0.03477 AFIX 43 H05Z 2 0.986348 0.626535 0.322710 11.00000 -1.20000 AFIX 0 C060 1 0.691787 0.775307 0.527310 11.00000 0.08300 0.05659 = 0.04311 0.01659 0.00352 0.04325 C061 1 0.662060 0.234811 0.537246 11.00000 0.07168 0.04109 = 0.06196 -0.00449 0.00524 0.02404 C062 1 0.592296 0.155003 0.800043 11.00000 0.06135 0.03786 = 0.10681 0.01005 0.04645 0.01364 AFIX 43 H062 2 0.629383 0.198829 0.798217 11.00000 -1.20000 AFIX 0 C063 1 1.138102 0.769936 0.620795 11.00000 0.05559 0.05768 = 0.04382 0.00751 0.01545 0.01475 AFIX 43 H063 2 1.156526 0.743165 0.599770 11.00000 -1.20000 AFIX 0 C064 1 0.410480 -0.130904 0.756772 11.00000 0.05321 0.05442 = 0.06427 0.00067 -0.00568 0.02242 C065 1 0.324247 0.011635 0.835457 11.00000 0.04490 0.04491 = 0.09477 0.01127 0.00293 0.01363 AFIX 43 H065 2 0.366680 0.048702 0.849669 11.00000 -1.20000 AFIX 0 C066 1 0.000498 0.415257 0.919927 11.00000 0.07504 0.06185 = 0.03094 0.00780 -0.01837 0.03455 AFIX 43 H066 2 -0.046064 0.418165 0.921265 11.00000 -1.20000 AFIX 0 C067 1 0.473243 0.066061 0.777717 11.00000 0.06102 0.05706 = 0.06375 0.01817 0.02093 0.03350 AFIX 43 H067 2 0.428660 0.050232 0.761234 11.00000 -1.20000 AFIX 0 C068 1 0.090524 0.212810 0.860046 11.00000 0.06284 0.06603 = 0.04074 0.00198 0.00393 0.03517 C069 1 0.605439 0.815031 0.617664 11.00000 0.14006 0.06030 = 0.03241 0.01558 0.01198 0.06117 C06A 1 0.129733 0.473721 0.915998 11.00000 0.09285 0.04543 = 0.06628 0.01520 0.02332 0.00839 AFIX 43 H06A 2 0.169876 0.515870 0.915211 11.00000 -1.20000 AFIX 0 C06B 1 0.295736 0.289123 0.997114 11.00000 0.04945 0.11393 = 0.05072 0.05127 0.01717 0.02010 AFIX 43 H06B 2 0.336440 0.293949 1.014541 11.00000 -1.20000 AFIX 0 C06C 1 0.106464 0.254129 0.828422 11.00000 0.05975 0.07932 = 0.04692 0.01206 0.00379 0.03673 AFIX 43 H06C 2 0.117097 0.304857 0.834977 11.00000 -1.20000 AFIX 0 C06D 1 0.878213 0.945829 0.648117 11.00000 0.12802 0.06275 = 0.07654 0.04257 0.05775 0.06226 AFIX 43 H06D 2 0.893802 0.974089 0.627845 11.00000 -1.20000 AFIX 0 C06E 1 0.139337 0.406712 0.914952 11.00000 0.06780 0.05668 = 0.05711 0.01496 0.02113 0.02250 AFIX 43 H06E 2 0.185818 0.403684 0.913266 11.00000 -1.20000 AFIX 0 C06F 1 0.537426 0.760717 0.609846 11.00000 0.09535 0.07713 = 0.04054 0.01605 0.00830 0.06398 AFIX 43 H06F 2 0.497135 0.768741 0.598926 11.00000 -1.20000 AFIX 0 C06G 1 0.401791 -0.093431 0.884998 11.00000 0.05160 0.08231 = 0.07719 0.03544 0.01019 0.02533 AFIX 43 H06G 2 0.366843 -0.070974 0.887448 11.00000 -1.20000 AFIX 0 C06H 1 0.610765 0.103464 0.629890 11.00000 0.11071 0.05791 = 0.05527 0.00267 -0.01171 0.05343 AFIX 43 H06H 2 0.642125 0.078170 0.633091 11.00000 -1.20000 AFIX 0 C06I 1 -0.051633 0.162496 0.911050 11.00000 0.06211 0.05217 = 0.06973 0.01129 -0.01097 0.00773 AFIX 43 H06I 2 -0.055556 0.169110 0.883432 11.00000 -1.20000 AFIX 0 C06J 1 0.265176 -0.105964 0.788026 11.00000 0.04992 0.05192 = 0.06020 0.01028 -0.00217 0.01236 AFIX 43 H06J 2 0.268047 -0.147713 0.769992 11.00000 -1.20000 AFIX 0 C06K 1 0.274108 0.235539 0.960252 11.00000 0.06434 0.08564 = 0.09112 0.04841 0.02400 0.04243 AFIX 43 H06K 2 0.300355 0.204217 0.953169 11.00000 -1.20000 AFIX 0 C06L 1 0.194143 -0.036300 0.819860 11.00000 0.03731 0.07582 = 0.08346 0.02917 0.00821 0.00906 AFIX 43 H06L 2 0.148638 -0.031800 0.823880 11.00000 -1.20000 AFIX 0 C06M 1 0.528158 0.132324 0.774955 11.00000 0.10094 0.05859 = 0.09497 0.04180 0.05397 0.04862 AFIX 43 H06M 2 0.521057 0.160311 0.756395 11.00000 -1.20000 AFIX 0 C06N 1 -0.042847 0.141590 0.992016 11.00000 0.08998 0.06278 = 0.06444 0.02605 0.02618 0.03487 AFIX 43 H06N 2 -0.039708 0.133533 1.019354 11.00000 -1.20000 AFIX 0 C06O 1 -0.111709 0.116939 0.926052 11.00000 0.05628 0.06861 = 0.08515 0.01273 0.00262 0.00245 AFIX 43 H06O 2 -0.155396 0.092610 0.908607 11.00000 -1.20000 AFIX 0 C06P 1 0.490071 -0.131253 0.844414 11.00000 0.06353 0.07716 = 0.07511 0.04063 0.00692 0.02316 AFIX 43 H06P 2 0.514151 -0.133162 0.819750 11.00000 -1.20000 AFIX 0 C06Q 1 0.258523 0.334333 1.008027 11.00000 0.05854 0.13535 = 0.02893 0.00983 0.01342 0.02872 AFIX 43 H06Q 2 0.273898 0.371136 1.032766 11.00000 -1.20000 AFIX 0 C06R 1 0.550008 0.050117 0.830443 11.00000 0.04183 0.04684 = 0.06736 0.00820 0.00405 0.00600 AFIX 43 H06R 2 0.557393 0.023227 0.849599 11.00000 -1.20000 AFIX 0 C06S 1 0.517384 0.117849 0.588181 11.00000 0.10781 0.03741 = 0.05824 -0.00357 -0.03093 0.02376 AFIX 43 H06S 2 0.485851 0.103147 0.563441 11.00000 -1.20000 AFIX 0 C06T 1 0.603713 0.115447 0.827691 11.00000 0.05513 0.04620 = 0.09219 -0.00042 0.01465 0.00660 AFIX 43 H06T 2 0.647867 0.132610 0.844736 11.00000 -1.20000 AFIX 0 C06U 1 0.257034 0.019022 0.840206 11.00000 0.05266 0.04671 = 0.11970 0.01461 0.00975 0.01661 AFIX 43 H06U 2 0.254127 0.061621 0.857252 11.00000 -1.20000 AFIX 0 C06V 1 0.198464 -0.098042 0.793672 11.00000 0.05413 0.06043 = 0.06338 0.01764 -0.00155 0.00458 AFIX 43 H06V 2 0.155829 -0.134951 0.779580 11.00000 -1.20000 AFIX 0 C06W 1 0.074123 0.136801 0.850659 11.00000 0.11291 0.06668 = 0.05411 -0.00130 0.00198 0.04031 AFIX 43 H06W 2 0.063832 0.110154 0.871985 11.00000 -1.20000 AFIX 0 C06X 1 0.565562 0.084022 0.592999 11.00000 0.12678 0.05074 = 0.05059 0.00171 -0.00772 0.04461 C06Y 1 0.377890 -0.204912 0.756814 11.00000 0.10077 0.04062 = 0.09837 0.00113 -0.04001 0.02063 AFIX 43 H06Y 2 0.362510 -0.218279 0.782162 11.00000 -1.20000 AFIX 0 C06Z 1 0.419538 -0.120641 0.918112 11.00000 0.07735 0.11298 = 0.10295 0.06842 0.01065 0.03942 AFIX 43 H06Z 2 0.396286 -0.116693 0.942994 11.00000 -1.20000 AFIX 0 C070 1 -0.107214 0.107423 0.966580 11.00000 0.05729 0.05758 = 0.09337 0.01678 0.01415 0.00729 AFIX 43 H070 2 -0.148312 0.077417 0.977002 11.00000 -1.20000 AFIX 0 C071 1 0.841094 0.967370 0.681040 11.00000 0.18827 0.07526 = 0.09418 0.04996 0.07531 0.09292 C072 1 0.435925 -0.108635 0.720607 11.00000 0.07310 0.07814 = 0.08623 -0.02716 0.01852 0.01320 AFIX 43 H072 2 0.456804 -0.058730 0.720384 11.00000 -1.20000 AFIX 0 C073 1 0.105825 0.216472 0.786723 11.00000 0.09331 0.10977 = 0.04004 0.01047 0.00866 0.05085 AFIX 43 H073 2 0.115658 0.242535 0.765122 11.00000 -1.20000 AFIX 0 C074 1 0.367619 -0.257559 0.722381 11.00000 0.09580 0.04932 = 0.13872 -0.01079 -0.03135 0.03290 AFIX 43 H074 2 0.342015 -0.306781 0.722711 11.00000 -1.20000 AFIX 0 C075 1 0.073477 0.100946 0.807790 11.00000 0.17231 0.07677 = 0.07408 -0.01501 0.00346 0.06162 AFIX 43 H075 2 0.061411 0.050057 0.800187 11.00000 -1.20000 AFIX 0 C076 1 0.395641 -0.237555 0.686438 11.00000 0.06081 0.08381 = 0.15784 -0.06426 0.00179 0.02394 AFIX 43 H076 2 0.392126 -0.274565 0.662729 11.00000 -1.20000 AFIX 0 C078 1 0.507887 -0.159641 0.877017 11.00000 0.07407 0.07706 = 0.11816 0.04394 -0.00863 0.03131 AFIX 43 H078 2 0.542772 -0.182175 0.874639 11.00000 -1.20000 AFIX 0 C079 1 0.470548 -0.153103 0.914783 11.00000 0.08209 0.11282 = 0.09664 0.06687 0.00047 0.03346 AFIX 43 H079 2 0.481603 -0.171521 0.937409 11.00000 -1.20000 AFIX 0 C07A 1 0.091399 0.143973 0.777348 11.00000 0.14679 0.13838 = 0.03830 -0.00009 0.01753 0.08338 AFIX 43 H07A 2 0.093351 0.121161 0.749432 11.00000 -1.20000 AFIX 0 C07B 1 0.429737 -0.163501 0.683363 11.00000 0.09482 0.13275 = 0.10143 -0.03004 0.03975 0.02616 AFIX 43 H07B 2 0.447340 -0.151119 0.658183 11.00000 -1.20000 AFIX 0 C07D 1 1.311415 0.811723 1.024725 11.00000 0.17815 0.16812 = 0.15397 0.07882 -0.00811 0.05165 AFIX 23 H07C 2 1.276892 0.817561 1.004942 11.00000 -1.20000 H07D 2 1.284556 0.794253 1.047912 11.00000 -1.20000 AFIX 0 C07E 1 1.285340 0.677833 0.988924 11.00000 0.11437 0.15443 = 0.13407 0.04894 0.01764 0.03594 AFIX 43 H07E 2 1.235234 0.665866 0.991319 11.00000 -1.20000 AFIX 0 C07F 1 1.339006 0.753156 1.002226 11.00000 0.14782 0.14502 = 0.10759 0.07654 0.00960 0.01407 AFIX 23 H07F 2 1.360738 0.768227 0.977128 11.00000 -1.20000 H07G 2 1.377969 0.751877 1.020838 11.00000 -1.20000 AFIX 0 C07G 1 1.316625 0.626072 0.972393 11.00000 0.12212 0.18776 = 0.13366 0.00716 0.04630 0.05508 AFIX 137 H07H 2 1.353625 0.646353 0.954412 11.00000 -1.50000 H07I 2 1.279314 0.582480 0.956061 11.00000 -1.50000 H07J 2 1.338555 0.613617 0.995283 11.00000 -1.50000 AFIX 0 C07H 1 1.368259 0.885380 1.042242 11.00000 0.20946 0.20109 = 0.17100 0.06979 0.01084 0.05320 AFIX 23 H07K 2 1.396930 0.902880 1.019645 11.00000 -1.20000 H07L 2 1.401229 0.881166 1.063658 11.00000 -1.20000 AFIX 0 C07I 1 1.333808 0.940544 1.061866 11.00000 0.20939 0.23151 = 0.21140 0.06276 0.04185 0.12991 AFIX 137 H07M 2 1.300484 0.944098 1.040834 11.00000 -1.50000 H07N 2 1.371595 0.987997 1.072036 11.00000 -1.50000 H07O 2 1.307483 0.924543 1.085182 11.00000 -1.50000 AFIX 0 CL0A 3 0.298466 0.112964 0.736980 11.00000 0.48853 0.48754 = 0.47693 0.19565 -0.04044 0.16784 C8 1 0.149952 0.062230 0.545978 11.00000 0.82690 0.82144 = 0.82863 0.18302 0.08165 0.29375 AFIX 23 H8A 2 0.180168 0.036491 0.554563 11.00000 -1.20000 H8B 2 0.181955 0.108160 0.539661 11.00000 -1.20000 AFIX 0 C10 1 0.094182 0.011190 0.504092 11.00000 0.45446 0.44781 = 0.44834 0.10320 0.05088 0.15508 AFIX 23 H10A 2 0.061988 -0.034248 0.510868 11.00000 -1.20000 H10B 2 0.063940 0.037235 0.495941 11.00000 -1.20000 AFIX 0 C0AA 1 0.305668 0.085960 0.690436 11.00000 2.00000 2.00000 = 2.00000 0.39224 0.16750 1.56966 AFIX 23 H0AA 2 0.256191 0.065206 0.676366 11.00000 -1.20000 H0AB 2 0.330951 0.129647 0.679629 11.00000 -1.20000 AFIX 0 CL6 3 0.342279 0.031133 0.674262 11.00000 0.41285 0.57595 = 0.48431 0.22877 -0.08708 0.09478 C5 1 0.134246 -0.005583 0.469743 11.00000 0.30991 0.19739 = 0.26607 0.05581 -0.02456 0.03693 AFIX 137 H5A 2 0.185807 0.020836 0.477562 11.00000 -1.50000 H5B 2 0.119280 0.008722 0.445326 11.00000 -1.50000 H5C 2 0.124815 -0.057679 0.463052 11.00000 -1.50000 AFIX 0 C7 1 0.064527 0.123530 0.649064 11.00000 0.30338 0.27513 = 0.25911 0.10255 0.03392 0.02253 AFIX 137 H7A 2 0.024230 0.078448 0.637691 11.00000 -1.50000 H7B 2 0.051746 0.164744 0.645245 11.00000 -1.50000 H7C 2 0.075043 0.127402 0.678855 11.00000 -1.50000 AFIX 0 C1AA 1 0.101860 0.078116 0.582329 11.00000 0.41837 0.40819 = 0.41261 0.09574 0.04017 0.13954 AFIX 23 H1AA 2 0.070739 0.100731 0.571207 11.00000 -1.20000 H1AB 2 0.069516 0.030362 0.586143 11.00000 -1.20000 AFIX 0 C11 1 0.132320 0.123526 0.625813 11.00000 0.32414 0.30258 = 0.31285 0.07403 0.01786 0.10037 AFIX 23 H11A 2 0.163200 0.173351 0.624561 11.00000 -1.20000 H11B 2 0.160979 0.101695 0.639896 11.00000 -1.20000 AFIX 0 H 2 0.889107 0.646650 0.812140 11.00000 0.07947 HA 2 0.777172 0.463618 0.673303 11.00000 0.03179 HB 2 0.863115 0.648368 0.734450 11.00000 0.12712 HC 2 0.623522 0.497161 0.793685 11.00000 0.05352 HD 2 0.637531 0.595364 0.753295 11.00000 0.04170 HE 2 0.763522 0.651274 0.812078 11.00000 0.17042 HF 2 0.736253 0.710860 0.728076 11.00000 0.04370 HG 2 0.749765 0.588361 0.677083 11.00000 0.08795 HH 2 0.678613 0.449285 0.726827 11.00000 0.10886 HI 2 0.803800 0.513219 0.781467 11.00000 0.16176 HKLF 4 REM scf-(3)-2017-10-19-4redblock-2_a.res in P-1 REM R1 = 0.0556 for 25776 Fo > 4sig(Fo) and 0.0774 for all 34378 data REM 2538 parameters refined using 137 restraints END WGHT 0.0801 13.0518 REM Highest difference peak 1.275, deepest hole -0.958, 1-sigma level 0.123 Q1 1 0.8966 1.0897 0.7001 11.00000 0.05 1.28 Q2 1 0.2799 0.0006 0.5191 11.00000 0.05 1.25 Q3 1 0.3852 -0.0608 0.6174 11.00000 0.05 1.13 Q4 1 0.8344 0.6500 0.8138 11.00000 0.05 0.96 Q5 1 0.0114 0.1494 0.6571 11.00000 0.05 0.92 Q6 1 1.2213 0.8913 0.5932 11.00000 0.05 0.85 Q7 1 0.7212 0.5149 0.7620 11.00000 0.05 0.82 Q8 1 0.8034 0.4971 0.6984 11.00000 0.05 0.81 Q9 1 0.7306 0.6150 0.8827 11.00000 0.05 0.81 Q10 1 0.2392 0.1037 0.5853 11.00000 0.05 0.75 Q11 1 0.8851 0.6397 0.7573 11.00000 0.05 0.75 Q12 1 0.6368 0.5632 0.7235 11.00000 0.05 0.75 Q13 1 0.7061 0.6522 0.7997 11.00000 0.05 0.75 Q14 1 0.9464 0.5483 0.7060 11.00000 0.05 0.74 Q15 1 1.0016 0.5877 0.7276 11.00000 0.05 0.73 Q16 1 0.3734 -0.0091 0.7539 11.00000 0.05 0.72 Q17 1 0.6649 0.5212 0.8106 11.00000 0.05 0.72 Q18 1 0.7843 0.6252 0.7278 11.00000 0.05 0.71 Q19 1 0.1810 0.0923 0.6091 11.00000 0.05 0.71 Q20 1 0.0000 0.0000 0.5000 10.50000 0.05 0.70 REM The information below was added by Olex2. REM REM R1 = 0.0556 for 25776 Fo > 4sig(Fo) and 0.0774 for all 72115 data REM n/a parameters refined using n/a restraints REM Highest difference peak 1.28, deepest hole -0.96 REM Mean Shift 0.013, Max Shift -3.165. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0774 REM R1_gt = 0.0556 REM wR_ref = 0.1629 REM GOOF = 1.068 REM Shift_max = -3.165 REM Shift_mean = 0.013 REM Reflections_all = 72115 REM Reflections_gt = 25776 REM Parameters = n/a REM Hole = -0.96 REM Peak = 1.28 REM Flack = n/a ; _cod_data_source_file nn9b02052_si_002.cif _cod_data_source_block scf-(3)-2017-10-19-4redblock-2 _cod_database_code 4514411 _shelx_shelxl_version_number 2016/4 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.478 _shelx_estimated_absorpt_t_min 0.098 _reflns_odcompleteness_completeness 98.42 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 61.08 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C0AA-Cl0A = Cl6-C0AA 1.3 with sigma of 0.02 Cl0A-Cl6 2.5 with sigma of 0.02 C10-C8 1.75 with sigma of 0.02 Cl6-C0AA 1.7 with sigma of 0.02 Cl0A-C0AA 1.7 with sigma of 0.02 C7-C11 1.45 with sigma of 0.02 C1AA-C10 2.57 with sigma of 0.02 C8-C5 2.57 with sigma of 0.02 C1AA-C11 1.6 with sigma of 0.02 C5-C8 2.4 with sigma of 0.02 C8-C10 1.46 with sigma of 0.02 C5-C10 1.38 with sigma of 0.02 C7-C1AA 2.381 with sigma of 0.02 C8-C1AA 1.599 with sigma of 0.02 C11-C8 2.619 with sigma of 0.02 HH-Cu04 1.85 with sigma of 0.02 HG-Cu08 1.85 with sigma of 0.02 HE-Cu0D 1.85 with sigma of 0.02 HE-Cu0C 1.85 with sigma of 0.02 HI-Cu0A 1.85 with sigma of 0.02 HI-Cu05 1.95 with sigma of 0.02 Cu01-HI 2.3 with sigma of 0.02 3. Restrained planarity C10, C8, C1AA, C5, C11, C7 with sigma of 0.1 C5, C8, C10, C1AA, C11, C7 with sigma of 0.1 4. Uiso/Uaniso restraints and constraints Uanis(C1AA) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl6) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C0AA) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C0AA) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C07D) \\sim Ueq, Uanis(C07H) \\sim Ueq, Uanis(C07I) \\sim Ueq, Uanis(Cl2A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C0AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(Cl0A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl0A) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C7) \\sim Ueq, : with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C0AA) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq, : with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C0AA) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, : with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl0A) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq, : with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(Cl6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl27) \\sim Ueq, Uanis(Cl29) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl29) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(Cl6) \\sim Ueq, Uanis(Cl0A) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C07D) \\sim Ueq, Uanis(C07F) \\sim Ueq, Uanis(C07H) \\sim Ueq, Uanis(C07E) \\sim Ueq, Uanis(C07I) \\sim Ueq, Uanis(C07G) \\sim Ueq, : with sigma of 0.01 and sigma for terminal atoms of 0.02 5.a Secondary CH2 refined with riding coordinates: C07D(H07C,H07D), C07F(H07F,H07G), C07H(H07K,H07L), C8(H8A,H8B), C10(H10A, H10B), C0AA(H0AA,H0AB), C1AA(H1AA,H1AB), C11(H11A,H11B) 5.b Aromatic/amide H refined with riding coordinates: C02D(H02D), C02H(H02H), C02J(H02J), C02M(H02M), C02O(H02O), C02S(H02S), C02V(H02V), C02X(H02X), C02Z(H02Z), C030(H030), C031(H031), C032(H032), C038(H038), C039(H039), C03C(H03C), C03D(H03D), C03F(H03F), C03H(H03H), C03K(H03K), C03L(H03L), C03M(H03M), C03O(H03O), C03P(H03P), C03Q(H03Q), C03R(H03R), C03T(H03T), C03V(H03V), C040(H040), C042(H042), C043(H043), C045(H045), C046(H046), C048(H048), C049(H049), C04C(H04C), C04D(H04D), C04F(H04F), C04G(H04G), C04L(H04L), C04M(H04M), C04N(H04N), C04P(H04P), C04S(H04S), C04T(H04T), C04U(H04U), C04W(H04W), C04X(H04X), C050(H050), C051(H051), C052(H052), C053(H053), C054(H054), C055(H055), C057(H057), C058(H058), C059(H059), C05A(H05A), C05B(H05B), C05C(H05C), C05D(H05D), C05F(H05F), C05J(H05J), C05K(H05K), C05L(H05L), C05M(H05M), C05P(H05P), C05S(H05S), C05T(H05T), C05U(H05U), C05V(H05V), C05W(H05W), C05X(H05X), C05Y(H05Y), C05Z(H05Z), C062(H062), C063(H063), C065(H065), C066(H066), C067(H067), C06A(H06A), C06B(H06B), C06C(H06C), C06D(H06D), C06E(H06E), C06F(H06F), C06G(H06G), C06H(H06H), C06I(H06I), C06J(H06J), C06K(H06K), C06L(H06L), C06M(H06M), C06N(H06N), C06O(H06O), C06P(H06P), C06Q(H06Q), C06R(H06R), C06S(H06S), C06T(H06T), C06U(H06U), C06V(H06V), C06W(H06W), C06Y(H06Y), C06Z(H06Z), C070(H070), C072(H072), C073(H073), C074(H074), C075(H075), C076(H076), C078(H078), C079(H079), C07A(H07A), C07B(H07B), C07E(H07E) 5.c Idealised Me refined as rotating group: C07G(H07H,H07I,H07J), C07I(H07M,H07N,H07O), C5(H5A,H5B,H5C), C7(H7A,H7B,H7C) ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp Cu01 Cu 0.75265(5) 0.57635(5) 0.74802(2) 0.02374(19) Uani 1 1 d D . Cu02 Cu 0.66977(5) 0.61073(5) 0.69804(3) 0.0267(2) Uani 1 1 d . . Cu03 Cu 0.69521(5) 0.48430(5) 0.67560(3) 0.0263(2) Uani 1 1 d . . Cu04 Cu 0.77577(5) 0.45494(5) 0.72299(3) 0.0266(2) Uani 1 1 d D . Cu05 Cu 0.69194(5) 0.46432(5) 0.78349(3) 0.0266(2) Uani 1 1 d D . Cu06 Cu 0.61157(5) 0.50147(5) 0.73943(3) 0.0267(2) Uani 1 1 d . . Cu07 Cu 0.82802(5) 0.56292(5) 0.68307(3) 0.0261(2) Uani 1 1 d . . Cu08 Cu 0.80241(5) 0.68328(5) 0.70817(3) 0.0277(2) Uani 1 1 d D . Cu09 Cu 0.66797(5) 0.58572(5) 0.80886(3) 0.0275(2) Uani 1 1 d . . Cu0A Cu 0.88822(5) 0.58666(5) 0.76315(3) 0.0277(2) Uani 1 1 d D . Cu0B Cu 0.71710(5) 0.69257(5) 0.76956(3) 0.0278(2) Uani 1 1 d . . Cu0C Cu 0.80643(5) 0.58531(5) 0.82311(3) 0.0281(2) Uani 1 1 d D . Cu0D Cu 0.85204(5) 0.69528(5) 0.79075(3) 0.0289(2) Uani 1 1 d D . Cu0E Cu 0.77852(5) 0.45802(5) 0.84772(3) 0.0320(2) Uani 1 1 d . . Cu0F Cu 0.97448(5) 0.61877(5) 0.70202(3) 0.0316(2) Uani 1 1 d . . Cu0G Cu 0.80658(5) 0.79350(5) 0.83868(3) 0.0345(2) Uani 1 1 d . . Cu0H Cu 0.82185(5) 0.64224(5) 0.62488(3) 0.0347(2) Uani 1 1 d . . Cu0I Cu 0.75314(5) 0.67100(5) 0.87945(3) 0.0350(2) Uani 1 1 d . . Cu0J Cu 0.88180(5) 0.45947(5) 0.77564(3) 0.0366(2) Uani 1 1 d . . Cu0K Cu 0.66344(5) 0.54688(6) 0.61733(3) 0.0349(2) Uani 1 1 d . . Cu0L Cu 0.57167(6) 0.37756(5) 0.68299(3) 0.0370(2) Uani 1 1 d . . Cu0M Cu 0.66936(5) 0.32969(5) 0.73493(3) 0.0368(2) Uani 1 1 d . . Cu0N Cu 0.58665(5) 0.67196(5) 0.80533(3) 0.0368(2) Uani 1 1 d . . Cu0O Cu 0.53500(5) 0.57569(6) 0.71592(3) 0.0375(2) Uani 1 1 d . . Cu0P Cu 0.93848(5) 0.75931(6) 0.73742(3) 0.0382(2) Uani 1 1 d . . S00Q S 0.97322(8) 0.53449(9) 0.74268(5) 0.0280(3) Uani 1 1 d . . S00R S 0.79349(8) 0.35237(9) 0.73376(5) 0.0291(3) Uani 1 1 d . . S0S S 0.91505(8) 0.59631(9) 0.63580(4) 0.0273(3) Uani 1 1 d . . S0T S 0.68145(8) 0.36230(9) 0.81029(5) 0.0292(3) Uani 1 1 d . . S00U S 0.78301(8) 0.56914(9) 0.88983(4) 0.0294(3) Uani 1 1 d . . S00V S 0.90943(9) 0.81915(9) 0.80085(5) 0.0308(3) Uani 1 1 d . . S0W S 0.60561(8) 0.42017(9) 0.62079(5) 0.0289(3) Uani 1 1 d . . S0X S 0.88530(9) 0.75493(9) 0.67085(5) 0.0291(3) Uani 1 1 d . . S0Y S 0.68938(9) 0.78084(9) 0.81586(5) 0.0301(3) Uani 1 1 d . . S0Z S 0.62608(8) 0.64317(9) 0.86557(5) 0.0298(3) Uani 1 1 d . . S010 S 0.49385(8) 0.44664(9) 0.70615(5) 0.0310(3) Uani 1 1 d . . S011 S 0.89010(9) 0.44638(9) 0.84395(5) 0.0318(4) Uani 1 1 d . . S12 S 0.57620(9) 0.59206(9) 0.64809(5) 0.0305(3) Uani 1 1 d . . S13 S 0.73936(9) 0.58757(9) 0.56832(5) 0.0322(4) Uani 1 1 d . . S14 S 1.04553(9) 0.73886(9) 0.72988(5) 0.0340(4) Uani 1 1 d . . S15 S 0.82823(9) 0.78884(9) 0.90775(5) 0.0345(4) Uani 1 1 d . . S16 S 0.49471(9) 0.65675(10) 0.75863(5) 0.0352(4) Uani 1 1 d . . S17 S 0.55771(9) 0.26897(9) 0.70079(5) 0.0377(4) Uani 1 1 d . . Cl18 Cl 0.94286(11) 0.85944(10) 0.60519(6) 0.0486(5) Uani 1 1 d . . Cl19 Cl 1.04821(10) 0.55555(11) 0.59173(6) 0.0497(5) Uani 1 1 d . . Cl1A Cl 0.50621(11) 0.67731(11) 0.92374(6) 0.0504(5) Uani 1 1 d . . Cl1B Cl 0.77959(12) 0.18668(10) 0.71560(6) 0.0516(5) Uani 1 1 d . . Cl1C Cl 1.13393(10) 0.58555(12) 0.71162(6) 0.0511(5) Uani 1 1 d . . Cl1D Cl 0.81903(11) 0.48438(11) 0.95699(6) 0.0499(5) Uani 1 1 d . . Cl1E Cl 0.35899(10) 0.54497(12) 0.69174(5) 0.0519(5) Uani 1 1 d . . Cl1F Cl 0.95946(11) 0.96365(10) 0.87673(7) 0.0546(5) Uani 1 1 d . . Cl1G Cl 1.05504(11) 0.90514(10) 0.72257(6) 0.0519(5) Uani 1 1 d . . P01H P 0.80322(10) 0.59566(11) 0.42190(5) 0.0391(4) Uani 1 1 d . . Cl1I Cl 0.57708(10) 0.56753(12) 0.52909(6) 0.0524(5) Uani 1 1 d . . Cl1J Cl 0.34640(11) 0.30454(11) 0.68737(6) 0.0554(5) Uani 1 1 d . . Cl1K Cl 0.66357(11) 0.31368(13) 0.90014(6) 0.0598(6) Uani 1 1 d . . Cl1L Cl 0.85704(12) 0.31509(12) 0.48854(6) 0.0565(5) Uani 1 1 d . . P01M P 0.09034(11) 0.25811(11) 0.91449(6) 0.0438(5) Uani 1 1 d . . Cl1N Cl 0.62665(13) 1.01047(12) 0.72548(7) 0.0622(6) Uani 1 1 d . . Cl1O Cl 0.56210(11) 0.37219(14) 0.52047(6) 0.0602(6) Uani 1 1 d . . P01P P 0.41531(11) -0.06345(11) 0.80460(7) 0.0467(5) Uani 1 1 d . . Cl1Q Cl 0.90620(11) 0.92296(12) 0.98707(7) 0.0625(6) Uani 1 1 d . . Cl1R Cl 1.00610(13) 0.38972(13) 0.79428(8) 0.0675(6) Uani 1 1 d . . Cl1S Cl 1.09654(11) 0.67580(14) 0.98938(7) 0.0673(6) Uani 1 1 d . . Cl1T Cl 0.44454(12) 0.62563(15) 0.60686(7) 0.0690(6) Uani 1 1 d . . Cl1U Cl 1.18632(12) 0.89581(13) 0.92977(7) 0.0702(7) Uani 1 1 d . . Cl1V Cl 0.29036(13) 0.35541(15) 0.85149(8) 0.0737(7) Uani 1 1 d . . Cl1W Cl 0.19094(12) 0.48031(15) 0.81792(8) 0.0747(7) Uani 1 1 d . . Cl1X Cl 1.25545(11) 0.71651(14) 0.87062(7) 0.0744(7) Uani 1 1 d . . Cl1Y Cl 0.75109(16) 0.95156(12) 0.85686(8) 0.0778(7) Uani 1 1 d . . Cl1Z Cl 0.42240(15) 0.40972(13) 0.95972(7) 0.0783(7) Uani 1 1 d . . Cl20 Cl 0.64864(13) 0.94670(15) 1.02669(8) 0.0826(8) Uani 1 1 d . . Cl21 Cl 0.86058(15) 0.11157(12) 0.80507(9) 0.0828(8) Uani 1 1 d . . Cl22 Cl 0.45319(15) 0.21649(14) 0.61287(9) 0.0844(8) Uani 1 1 d . . Cl23 Cl 0.37125(13) 0.21115(14) 0.86978(11) 0.0916(9) Uani 1 1 d . . Cl24 Cl 0.67339(19) 0.84702(15) 0.51118(8) 0.0911(9) Uani 1 1 d . . Cl25 Cl 1.17332(18) 0.87414(17) 0.57394(8) 0.0960(9) Uani 1 1 d . . Cl26 Cl 0.9036(2) 0.20966(19) 0.56839(8) 0.1025(11) Uani 1 1 d . . Cl27 Cl 0.6151(2) 0.90310(16) 0.60988(9) 0.1111(12) Uani 1 1 d . U Cl28 Cl 0.67996(19) 0.16219(15) 0.50531(10) 0.1054(10) Uani 1 1 d . . Cl29 Cl 0.5678(2) 0.01078(16) 0.55263(9) 0.1169(13) Uani 1 1 d . U Cl2A Cl 0.8226(3) 1.0480(2) 0.68558(14) 0.166(2) Uani 1 1 d . U C02B C 0.9855(3) 0.8397(4) 0.83897(19) 0.0304(14) Uani 1 1 d . . C02C C 0.8719(3) 0.6007(4) 0.91849(18) 0.0293(14) Uani 1 1 d . . C02D C 0.9284(4) 0.6634(4) 0.9127(2) 0.0344(15) Uani 1 1 d . . H02D H 0.919850 0.689740 0.893483 0.041 Uiso 1 1 calc R . C02E C 0.8252(4) 0.3133(4) 0.6871(2) 0.0332(15) Uani 1 1 d . . C02F C 0.8813(3) 0.3526(4) 0.8335(2) 0.0350(15) Uani 1 1 d . . C02G C 1.0526(4) 0.5837(4) 0.7796(2) 0.0316(15) Uani 1 1 d . . C02H C 1.0268(4) 0.7944(4) 0.8370(2) 0.0361(16) Uani 1 1 d . . H02H H 1.012317 0.750759 0.816266 0.043 Uiso 1 1 calc R . C02I C 1.0070(4) 0.9032(4) 0.8713(2) 0.0416(17) Uani 1 1 d . . C02J C 1.0485(4) 0.5995(4) 0.82334(19) 0.0321(15) Uani 1 1 d . . H02J H 1.002920 0.583240 0.833948 0.039 Uiso 1 1 calc R . C02K C 0.5163(4) 0.5921(4) 0.9169(2) 0.0382(16) Uani 1 1 d . . C02L C 0.4366(3) 0.4197(4) 0.7471(2) 0.0324(15) Uani 1 1 d . . C02M C 1.1103(4) 0.6388(4) 0.8515(2) 0.0411(17) Uani 1 1 d . . H02M H 1.106245 0.648798 0.880620 0.049 Uiso 1 1 calc R . C02N C 0.8738(4) 0.3935(4) 0.5288(2) 0.0366(16) Uani 1 1 d . . C02O C 0.8291(4) 0.4664(4) 0.58109(19) 0.0317(15) Uani 1 1 d . . H02O H 0.789436 0.474681 0.593783 0.038 Uiso 1 1 calc R . C02P C 0.5692(4) 0.5763(4) 0.89175(19) 0.0327(15) Uani 1 1 d . . C02Q C 0.8997(4) 0.5151(4) 0.59650(18) 0.0309(15) Uani 1 1 d . . C02R C 0.9577(4) 0.4992(4) 0.5757(2) 0.0331(15) Uani 1 1 d . . C02S C 0.5759(4) 0.5085(4) 0.8894(2) 0.0385(17) Uani 1 1 d . . H02S H 0.610908 0.497088 0.873084 0.046 Uiso 1 1 calc R . C02T C 1.1220(4) 0.6072(4) 0.7653(2) 0.0393(17) Uani 1 1 d . . C02U C 0.5894(4) 0.6795(4) 0.63617(19) 0.0394(17) Uani 1 1 d . . C02V C 0.4519(4) 0.4617(4) 0.7889(2) 0.0357(16) Uani 1 1 d . . H02V H 0.493971 0.503990 0.795507 0.043 Uiso 1 1 calc R . C02W C 0.3442(4) 0.3804(4) 0.8103(3) 0.0459(18) Uani 1 1 d . . C02X C 0.9448(4) 0.4389(4) 0.5419(2) 0.0382(17) Uani 1 1 d . . H02X H 0.983640 0.429795 0.528589 0.046 Uiso 1 1 calc R . C02Y C 0.7187(4) 0.6594(4) 0.5521(2) 0.0367(16) Uani 1 1 d . . C02Z C 1.1845(4) 0.6465(4) 0.7932(2) 0.0433(18) Uani 1 1 d . . H02Z H 1.230467 0.661587 0.782909 0.052 Uiso 1 1 calc R . C030 C 0.8156(4) 0.4063(4) 0.54784(19) 0.0359(16) Uani 1 1 d . . H030 H 0.767652 0.374807 0.538399 0.043 Uiso 1 1 calc R . C031 C 0.9971(4) 0.6875(4) 0.9349(2) 0.0417(17) Uani 1 1 d . . H031 H 1.033935 0.730123 0.931157 0.050 Uiso 1 1 calc R . C032 C 1.0686(4) 0.9211(4) 0.9001(2) 0.0452(18) Uani 1 1 d . . H032 H 1.082422 0.963317 0.921797 0.054 Uiso 1 1 calc R . C033 C 0.5952(4) 0.3306(4) 0.8307(2) 0.0336(15) Uani 1 1 d . . C034 C 0.6318(4) 0.3518(4) 0.5880(2) 0.0392(17) Uani 1 1 d . . C035 C 0.8720(4) 0.6484(5) 0.4652(2) 0.0419(18) Uani 1 1 d . . C036 C 0.6753(4) 0.8451(4) 0.7887(2) 0.0328(15) Uani 1 1 d . . C037 C 1.0816(4) 0.7797(4) 0.6871(2) 0.0340(15) Uani 1 1 d . . C038 C 0.7030(4) 0.8197(4) 0.9303(2) 0.0419(17) Uani 1 1 d . . H038 H 0.678119 0.783622 0.906467 0.050 Uiso 1 1 calc R . C039 C 0.8296(4) 0.8612(4) 0.7079(2) 0.0448(18) Uani 1 1 d . . H039 H 0.813721 0.832704 0.728006 0.054 Uiso 1 1 calc R . C03A C 0.3723(4) 0.3589(4) 0.7385(2) 0.0401(17) Uani 1 1 d . . C03B C 0.7781(4) 0.8366(4) 0.9383(2) 0.0359(16) Uani 1 1 d . . C03C C 1.0880(4) 0.8114(4) 0.8642(2) 0.0375(16) Uani 1 1 d . . H03C H 1.115388 0.780762 0.861558 0.045 Uiso 1 1 calc R . C03D C 0.6349(4) 0.8229(4) 0.7491(2) 0.0402(17) Uani 1 1 d . . H03D H 0.618378 0.773337 0.735316 0.048 Uiso 1 1 calc R . C03E C 0.8656(4) 0.8370(4) 0.6742(2) 0.0378(16) Uani 1 1 d . . C03F C 0.5326(5) 0.4567(4) 0.9105(2) 0.052(2) Uani 1 1 d . . H03F H 0.538539 0.411594 0.908790 0.062 Uiso 1 1 calc R . C03G C 0.5869(4) 0.3035(4) 0.8677(2) 0.0395(17) Uani 1 1 d . . C03H C 0.8568(4) 0.3536(5) 0.6568(2) 0.0418(17) Uani 1 1 d . . H03H H 0.861387 0.402946 0.661035 0.050 Uiso 1 1 calc R . C03I C 0.4092(4) 0.6063(4) 0.7751(2) 0.0368(16) Uani 1 1 d . . C03J C 0.8177(4) 0.2401(4) 0.6792(2) 0.0423(18) Uani 1 1 d . . C03K C 0.8877(4) 0.6176(4) 0.4983(2) 0.0414(17) Uani 1 1 d . . H03K H 0.862009 0.568313 0.498418 0.050 Uiso 1 1 calc R . C03L C 0.6571(5) 0.7362(4) 0.6412(2) 0.0453(18) Uani 1 1 d . . H03L H 0.697821 0.727781 0.651203 0.054 Uiso 1 1 calc R . C03M C 0.4072(4) 0.4428(4) 0.8205(2) 0.0429(17) Uani 1 1 d . . H03M H 0.419031 0.471299 0.848069 0.052 Uiso 1 1 calc R . C03N C 1.1080(4) 0.8749(4) 0.8956(2) 0.0446(18) Uani 1 1 d . . C03O C 0.3971(4) 0.6149(4) 0.8179(2) 0.0418(17) Uani 1 1 d . . H03O H 0.434758 0.647527 0.838022 0.050 Uiso 1 1 calc R . C03P C 0.7747(5) 0.7276(4) 0.5541(2) 0.0458(18) Uani 1 1 d . . H03P H 0.822220 0.734238 0.563875 0.055 Uiso 1 1 calc R . C03Q C 0.6191(4) 0.8726(4) 0.7301(2) 0.0448(18) Uani 1 1 d . . H03Q H 0.591478 0.856491 0.703825 0.054 Uiso 1 1 calc R . C03R C 0.6728(4) 0.3149(4) 0.6044(2) 0.0427(18) Uani 1 1 d . . H03R H 0.690566 0.330146 0.633017 0.051 Uiso 1 1 calc R . C03S C 1.0099(4) 0.6475(5) 0.9625(2) 0.0486(19) Uani 1 1 d . . C03T C 0.6638(4) 0.8544(4) 0.9564(2) 0.0455(18) Uani 1 1 d . . H03T H 0.613752 0.842191 0.949611 0.055 Uiso 1 1 calc R . C03U C 0.8861(4) 0.5621(4) 0.94735(19) 0.0369(16) Uani 1 1 d . . C03V C 0.9419(4) 0.6615(5) 0.5308(2) 0.0483(19) Uani 1 1 d . . H03V H 0.953222 0.641069 0.552406 0.058 Uiso 1 1 calc R . C03W C 0.6081(4) 0.3282(4) 0.5448(2) 0.0454(19) Uani 1 1 d . . C03X C 0.0787(4) 0.3446(4) 0.9165(2) 0.0433(18) Uani 1 1 d . . C03Y C 0.8422(4) 0.6165(4) 0.3736(2) 0.0440(18) Uani 1 1 d . . C03Z C 1.0874(4) 0.8507(4) 0.6843(2) 0.0420(17) Uani 1 1 d . . C040 C 0.9548(4) 0.5851(4) 0.9694(2) 0.0428(18) Uani 1 1 d . . H040 H 0.963823 0.558968 0.988552 0.051 Uiso 1 1 calc R . C041 C 0.6444(4) 0.9469(4) 0.7500(3) 0.0449(18) Uani 1 1 d . . C042 C 0.7438(4) 0.4692(4) 0.4539(2) 0.0427(18) Uani 1 1 d . . H042 H 0.736951 0.500065 0.477996 0.051 Uiso 1 1 calc R . C043 C 0.9107(4) 0.7231(5) 0.4664(2) 0.0465(19) Uani 1 1 d . . H043 H 0.901333 0.743851 0.444413 0.056 Uiso 1 1 calc R . C044 C 1.1778(4) 0.6631(4) 0.8360(2) 0.0420(17) Uani 1 1 d . . C045 C 0.6539(4) 0.5620(5) 0.4154(2) 0.0478(19) Uani 1 1 d . . H045 H 0.650114 0.512989 0.411820 0.057 Uiso 1 1 calc R . C046 C 0.4721(4) 0.5412(4) 0.9381(2) 0.0480(19) Uani 1 1 d . . H046 H 0.437272 0.552540 0.954641 0.058 Uiso 1 1 calc R . C047 C 0.3510(4) 0.5591(4) 0.7461(2) 0.0358(16) Uani 1 1 d . . C048 C 0.2834(4) 0.5198(4) 0.7588(3) 0.0463(18) Uani 1 1 d . . H048 H 0.245139 0.487724 0.738902 0.056 Uiso 1 1 calc R . C049 C 0.5915(4) 0.5795(5) 0.4115(2) 0.051(2) Uani 1 1 d . . H049 H 0.545468 0.542096 0.406636 0.061 Uiso 1 1 calc R . C04A C 0.9309(4) 0.3270(4) 0.8113(2) 0.0382(16) Uani 1 1 d . . C04B C 0.7770(4) 0.4987(4) 0.4196(2) 0.0386(17) Uani 1 1 d . . C04C C 0.5308(4) 0.3229(4) 0.8075(2) 0.0384(16) Uani 1 1 d . . H04C H 0.534595 0.342967 0.783506 0.046 Uiso 1 1 calc R . C04D C 0.8030(4) 0.6338(4) 0.3437(2) 0.0465(19) Uani 1 1 d . . H04D H 0.756381 0.634768 0.348471 0.056 Uiso 1 1 calc R . C04E C 0.8120(4) 0.8932(4) 0.9742(2) 0.0411(17) Uani 1 1 d . . C04F C 0.3311(4) 0.5765(5) 0.8315(2) 0.049(2) Uani 1 1 d . . H04F H 0.324655 0.582232 0.860358 0.058 Uiso 1 1 calc R . C04G C 0.7218(4) 0.3945(5) 0.4513(2) 0.050(2) Uani 1 1 d . . H04G H 0.700163 0.374560 0.473812 0.060 Uiso 1 1 calc R . C04H C 0.6999(4) 0.9197(4) 0.8077(2) 0.0424(17) Uani 1 1 d . . C04I C 0.8689(4) 0.2039(4) 0.8172(3) 0.050(2) Uani 1 1 d . . C04J C 0.4795(5) 0.4746(5) 0.9346(2) 0.052(2) Uani 1 1 d . . C04K C 0.7220(4) 0.6181(4) 0.4245(2) 0.0423(18) Uani 1 1 d . . C04L C 1.1082(4) 0.7407(4) 0.6547(2) 0.0436(18) Uani 1 1 d . . H04L H 1.105740 0.693341 0.655811 0.052 Uiso 1 1 calc R . C04M C 0.9782(4) 0.7337(5) 0.5312(2) 0.050(2) Uani 1 1 d . . H04M H 1.014612 0.762197 0.553068 0.061 Uiso 1 1 calc R . C04N C 0.8250(4) 0.2993(5) 0.8490(3) 0.052(2) Uani 1 1 d . . H04N H 0.791388 0.313762 0.865252 0.063 Uiso 1 1 calc R . C04O C 0.4842(4) 0.0242(4) 0.8043(2) 0.0423(17) Uani 1 1 d . . C04P C 0.8404(5) 0.2067(5) 0.6425(2) 0.055(2) Uani 1 1 d . . H04P H 0.834216 0.156869 0.637420 0.066 Uiso 1 1 calc R . C04Q C 0.6495(4) 0.6509(4) 0.5355(2) 0.0406(17) Uani 1 1 d . . C04R C 0.8917(4) 0.8818(4) 0.6458(2) 0.0461(19) Uani 1 1 d . . C04S C 0.7856(4) 0.4511(4) 0.3835(2) 0.0438(18) Uani 1 1 d . . H04S H 0.806500 0.469663 0.360433 0.053 Uiso 1 1 calc R . C04T C 0.8815(4) 0.3217(5) 0.6206(2) 0.052(2) Uani 1 1 d . . H04T H 0.903940 0.349776 0.601313 0.062 Uiso 1 1 calc R . C04U C 0.6233(5) 0.2681(5) 0.5193(3) 0.057(2) Uani 1 1 d . . H04U H 0.606676 0.252112 0.490507 0.069 Uiso 1 1 calc R . C04V C 0.4584(4) 0.2592(4) 0.8554(3) 0.055(2) Uani 1 1 d . . C04W C 0.3259(4) 0.3390(4) 0.7701(3) 0.0468(19) Uani 1 1 d . . H04W H 0.282818 0.297781 0.763539 0.056 Uiso 1 1 calc R . C04X C 0.9248(4) 0.2540(4) 0.8025(2) 0.0475(19) Uani 1 1 d . . H04X H 0.958597 0.239137 0.786624 0.057 Uiso 1 1 calc R . C04Y C 0.1736(4) 0.2723(5) 0.9449(2) 0.0465(19) Uani 1 1 d . . C04Z C 0.5619(4) 0.1992(4) 0.6579(2) 0.0451(18) Uani 1 1 d . . C050 C 0.6843(4) 0.9706(4) 0.7884(3) 0.0480(19) Uani 1 1 d . . H050 H 0.701091 1.020353 0.801794 0.058 Uiso 1 1 calc R . C051 C 0.8188(5) 0.2266(5) 0.8406(3) 0.067(3) Uani 1 1 d . . H051 H 0.780589 0.192269 0.850637 0.081 Uiso 1 1 calc R . C052 C 0.7318(4) 0.3497(5) 0.4158(3) 0.0495(19) Uani 1 1 d . . H052 H 0.716772 0.299174 0.414419 0.059 Uiso 1 1 calc R . C053 C 0.5191(4) 0.2665(4) 0.8805(3) 0.051(2) Uani 1 1 d . . H053 H 0.514966 0.247437 0.904925 0.061 Uiso 1 1 calc R . C054 C 1.1165(5) 0.8808(5) 0.6498(3) 0.053(2) Uani 1 1 d . . H054 H 1.119517 0.928152 0.648178 0.064 Uiso 1 1 calc R . C055 C 0.9623(4) 0.7664(5) 0.4995(3) 0.053(2) Uani 1 1 d . . H055 H 0.986179 0.816467 0.500714 0.064 Uiso 1 1 calc R . C056 C 0.8723(5) 0.2488(5) 0.6137(2) 0.055(2) Uani 1 1 d . . C057 C 0.0100(4) 0.3503(5) 0.9197(2) 0.0467(19) Uani 1 1 d . . H057 H -0.030233 0.309005 0.921654 0.056 Uiso 1 1 calc R . C058 C 0.7611(5) 0.7858(5) 0.5419(2) 0.053(2) Uani 1 1 d . . H058 H 0.798896 0.830986 0.543808 0.063 Uiso 1 1 calc R . C059 C 0.6098(5) 0.1609(4) 0.6625(3) 0.055(2) Uani 1 1 d . . H059 H 0.640693 0.174062 0.687362 0.066 Uiso 1 1 calc R . C05A C 0.6874(5) 0.2569(5) 0.5794(3) 0.060(2) Uani 1 1 d . . H05A H 0.714114 0.233276 0.591058 0.072 Uiso 1 1 calc R . C05B C 0.6362(5) 0.7090(5) 0.5237(2) 0.052(2) Uani 1 1 d . . H05B H 0.589097 0.702859 0.513347 0.063 Uiso 1 1 calc R . C05C C 0.0609(6) 0.4770(5) 0.9182(2) 0.065(3) Uani 1 1 d . . H05C H 0.054513 0.521542 0.918512 0.078 Uiso 1 1 calc R . C05D C 0.8171(6) 0.9263(5) 0.7117(3) 0.070(3) Uani 1 1 d . . H05D H 0.793308 0.942367 0.734250 0.084 Uiso 1 1 calc R . C05E C 0.2749(4) 0.5297(5) 0.8016(2) 0.0481(19) Uani 1 1 d . . C05F C 0.7268(4) 0.6911(5) 0.4290(2) 0.0475(19) Uani 1 1 d . . H05F H 0.772180 0.729170 0.435661 0.057 Uiso 1 1 calc R . C05G C 0.5156(5) 0.1750(4) 0.6207(3) 0.055(2) Uani 1 1 d . . C05H C 0.0144(4) 0.1988(4) 0.9356(2) 0.0483(19) Uani 1 1 d . . C05I C 0.3284(4) -0.0507(4) 0.8096(3) 0.0484(19) Uani 1 1 d . . C05J C 0.7631(4) 0.3769(5) 0.3821(3) 0.0496(19) Uani 1 1 d . . H05J H 0.769206 0.344985 0.358266 0.060 Uiso 1 1 calc R . C05K C 0.5968(4) 0.6514(5) 0.4149(2) 0.049(2) Uani 1 1 d . . H05K H 0.554777 0.662425 0.411249 0.059 Uiso 1 1 calc R . C05L C 0.4620(4) 0.2867(4) 0.8187(3) 0.050(2) Uani 1 1 d . . H05L H 0.419665 0.280909 0.802433 0.060 Uiso 1 1 calc R . C05M C 0.9013(5) 0.6465(5) 0.2998(3) 0.061(2) Uani 1 1 d . . H05M H 0.921055 0.656556 0.274587 0.073 Uiso 1 1 calc R . C05N C 0.4362(4) -0.0997(4) 0.8482(3) 0.051(2) Uani 1 1 d . . C05O C 0.6987(4) 0.9067(4) 0.9922(2) 0.0496(19) Uani 1 1 d . . C05P C 0.0190(5) 0.1892(5) 0.9769(3) 0.058(2) Uani 1 1 d . . H05P H 0.062468 0.213833 0.994464 0.069 Uiso 1 1 calc R . C05Q C 1.1402(5) 0.8390(5) 0.6187(3) 0.058(2) Uani 1 1 d . . C05R C 0.5309(5) 0.6935(5) 0.6188(2) 0.052(2) Uani 1 1 d . . C05S C 0.9121(4) 0.6157(5) 0.3661(2) 0.055(2) Uani 1 1 d . . H05S H 0.939617 0.606115 0.386577 0.066 Uiso 1 1 calc R . C05T C 0.1965(5) 0.3265(6) 0.9824(2) 0.067(3) Uani 1 1 d . . H05T H 0.170394 0.357687 0.990362 0.080 Uiso 1 1 calc R . C05U C 0.6677(6) 0.8041(5) 0.6324(2) 0.060(2) Uani 1 1 d . . H05U H 0.713987 0.840897 0.636015 0.072 Uiso 1 1 calc R . C05V C 0.2141(5) 0.2270(5) 0.9333(3) 0.055(2) Uani 1 1 d . . H05V H 0.201091 0.191622 0.907977 0.066 Uiso 1 1 calc R . C05W C 0.6640(5) 0.7066(5) 0.4235(2) 0.051(2) Uani 1 1 d . . H05W H 0.667489 0.755296 0.425616 0.062 Uiso 1 1 calc R . C05X C 0.8332(5) 0.6495(5) 0.3070(2) 0.056(2) Uani 1 1 d . . H05X H 0.807528 0.662252 0.287129 0.067 Uiso 1 1 calc R . C05Y C 0.7740(4) 0.9271(4) 1.0010(2) 0.0481(19) Uani 1 1 d . . H05Y H 0.798421 0.963456 1.024790 0.058 Uiso 1 1 calc R . C05Z C 0.9406(5) 0.6292(6) 0.3284(3) 0.062(2) Uani 1 1 d . . H05Z H 0.986348 0.626535 0.322710 0.075 Uiso 1 1 calc R . C060 C 0.6918(5) 0.7753(5) 0.5273(2) 0.055(2) Uani 1 1 d . . C061 C 0.6621(5) 0.2348(5) 0.5372(3) 0.060(2) Uani 1 1 d . . C062 C 0.5923(6) 0.1550(5) 0.8000(4) 0.070(3) Uani 1 1 d . . H062 H 0.629383 0.198829 0.798217 0.084 Uiso 1 1 calc R . C063 C 1.1381(5) 0.7699(5) 0.6208(2) 0.054(2) Uani 1 1 d . . H063 H 1.156526 0.743165 0.599770 0.065 Uiso 1 1 calc R . C064 C 0.4105(5) -0.1309(5) 0.7568(3) 0.058(2) Uani 1 1 d . . C065 C 0.3242(5) 0.0116(5) 0.8355(3) 0.063(2) Uani 1 1 d . . H065 H 0.366680 0.048702 0.849669 0.075 Uiso 1 1 calc R . C066 C 0.0005(5) 0.4153(5) 0.9199(2) 0.054(2) Uani 1 1 d . . H066 H -0.046064 0.418165 0.921265 0.065 Uiso 1 1 calc R . C067 C 0.4732(5) 0.0661(5) 0.7777(3) 0.056(2) Uani 1 1 d . . H067 H 0.428660 0.050232 0.761234 0.068 Uiso 1 1 calc R . C068 C 0.0905(5) 0.2128(5) 0.8600(2) 0.055(2) Uani 1 1 d . . C069 C 0.6054(7) 0.8150(5) 0.6177(3) 0.070(3) Uani 1 1 d . . C06A C 0.1297(6) 0.4737(5) 0.9160(3) 0.072(3) Uani 1 1 d . . H06A H 0.169876 0.515870 0.915211 0.086 Uiso 1 1 calc R . C06B C 0.2957(5) 0.2891(6) 0.9971(3) 0.069(3) Uani 1 1 d . . H06B H 0.336440 0.293949 1.014541 0.082 Uiso 1 1 calc R . C06C C 0.1065(5) 0.2541(6) 0.8284(3) 0.059(2) Uani 1 1 d . . H06C H 0.117097 0.304857 0.834977 0.071 Uiso 1 1 calc R . C06D C 0.8782(6) 0.9458(5) 0.6481(3) 0.077(3) Uani 1 1 d . . H06D H 0.893802 0.974089 0.627845 0.092 Uiso 1 1 calc R . C06E C 0.1393(5) 0.4067(5) 0.9150(3) 0.060(2) Uani 1 1 d . . H06E H 0.185818 0.403684 0.913266 0.072 Uiso 1 1 calc R . C06F C 0.5374(6) 0.7607(6) 0.6098(2) 0.062(2) Uani 1 1 d . . H06F H 0.497135 0.768741 0.598926 0.074 Uiso 1 1 calc R . C06G C 0.4018(5) -0.0934(6) 0.8850(3) 0.067(3) Uani 1 1 d . . H06G H 0.366843 -0.070974 0.887448 0.081 Uiso 1 1 calc R . C06H C 0.6108(6) 0.1035(5) 0.6299(3) 0.070(3) Uani 1 1 d . . H06H H 0.642125 0.078170 0.633091 0.084 Uiso 1 1 calc R . C06I C -0.0516(5) 0.1625(5) 0.9110(3) 0.065(2) Uani 1 1 d . . H06I H -0.055556 0.169110 0.883432 0.078 Uiso 1 1 calc R . C06J C 0.2652(5) -0.1060(5) 0.7880(3) 0.056(2) Uani 1 1 d . . H06J H 0.268047 -0.147713 0.769992 0.067 Uiso 1 1 calc R . C06K C 0.2741(5) 0.2355(6) 0.9603(3) 0.072(3) Uani 1 1 d . . H06K H 0.300355 0.204217 0.953169 0.086 Uiso 1 1 calc R . C06L C 0.1941(5) -0.0363(6) 0.8199(3) 0.067(3) Uani 1 1 d . . H06L H 0.148638 -0.031800 0.823880 0.080 Uiso 1 1 calc R . C06M C 0.5282(7) 0.1323(5) 0.7750(3) 0.075(3) Uani 1 1 d . . H06M H 0.521057 0.160311 0.756395 0.090 Uiso 1 1 calc R . C06N C -0.0428(6) 0.1416(5) 0.9920(3) 0.068(3) Uani 1 1 d . . H06N H -0.039708 0.133533 1.019354 0.082 Uiso 1 1 calc R . C06O C -0.1117(5) 0.1169(6) 0.9261(3) 0.076(3) Uani 1 1 d . . H06O H -0.155396 0.092610 0.908607 0.091 Uiso 1 1 calc R . C06P C 0.4901(5) -0.1313(5) 0.8444(3) 0.069(3) Uani 1 1 d . . H06P H 0.514151 -0.133162 0.819750 0.083 Uiso 1 1 calc R . C06Q C 0.2585(5) 0.3343(7) 1.0080(3) 0.077(3) Uani 1 1 d . . H06Q H 0.273898 0.371136 1.032766 0.092 Uiso 1 1 calc R . C06R C 0.5500(4) 0.0501(5) 0.8304(3) 0.055(2) Uani 1 1 d . . H06R H 0.557393 0.023227 0.849599 0.066 Uiso 1 1 calc R . C06S C 0.5174(6) 0.1178(5) 0.5882(3) 0.071(3) Uani 1 1 d . . H06S H 0.485851 0.103147 0.563441 0.085 Uiso 1 1 calc R . C06T C 0.6037(5) 0.1154(5) 0.8277(3) 0.070(3) Uani 1 1 d . . H06T H 0.647867 0.132610 0.844736 0.084 Uiso 1 1 calc R . C06U C 0.2570(5) 0.0190(5) 0.8402(4) 0.074(3) Uani 1 1 d . . H06U H 0.254127 0.061621 0.857252 0.089 Uiso 1 1 calc R . C06V C 0.1985(5) -0.0980(5) 0.7937(3) 0.063(2) Uani 1 1 d . . H06V H 0.155829 -0.134951 0.779580 0.076 Uiso 1 1 calc R . C06W C 0.0741(6) 0.1368(6) 0.8507(3) 0.078(3) Uani 1 1 d . . H06W H 0.063832 0.110154 0.871985 0.093 Uiso 1 1 calc R . C06X C 0.5656(7) 0.0840(5) 0.5930(3) 0.074(3) Uani 1 1 d . . C06Y C 0.3779(6) -0.2049(5) 0.7568(4) 0.084(3) Uani 1 1 d . . H06Y H 0.362510 -0.218279 0.782162 0.101 Uiso 1 1 calc R . C06Z C 0.4195(6) -0.1206(7) 0.9181(4) 0.090(4) Uani 1 1 d . . H06Z H 0.396286 -0.116693 0.942994 0.108 Uiso 1 1 calc R . C070 C -0.1072(5) 0.1074(5) 0.9666(3) 0.073(3) Uani 1 1 d . . H070 H -0.148312 0.077417 0.977002 0.087 Uiso 1 1 calc R . C071 C 0.8411(8) 0.9674(6) 0.6810(4) 0.101(4) Uani 1 1 d . . C072 C 0.4359(6) -0.1086(6) 0.7206(4) 0.089(4) Uani 1 1 d . . H072 H 0.456804 -0.058730 0.720384 0.107 Uiso 1 1 calc R . C073 C 0.1058(6) 0.2165(7) 0.7867(3) 0.078(3) Uani 1 1 d . . H073 H 0.115658 0.242535 0.765122 0.094 Uiso 1 1 calc R . C074 C 0.3676(7) -0.2576(6) 0.7224(5) 0.098(4) Uani 1 1 d . . H074 H 0.342015 -0.306781 0.722711 0.117 Uiso 1 1 calc R . C075 C 0.0735(8) 0.1009(7) 0.8078(4) 0.108(4) Uani 1 1 d . . H075 H 0.061411 0.050057 0.800187 0.129 Uiso 1 1 calc R . C076 C 0.3956(6) -0.2376(8) 0.6864(5) 0.115(6) Uani 1 1 d . . H076 H 0.392126 -0.274565 0.662729 0.138 Uiso 1 1 calc R . C078 C 0.5079(6) -0.1596(6) 0.8770(4) 0.085(3) Uani 1 1 d . . H078 H 0.542772 -0.182175 0.874639 0.103 Uiso 1 1 calc R . C079 C 0.4705(6) -0.1531(7) 0.9148(4) 0.091(4) Uani 1 1 d . . H079 H 0.481603 -0.171521 0.937409 0.109 Uiso 1 1 calc R . C07A C 0.0914(8) 0.1440(8) 0.7773(3) 0.102(4) Uani 1 1 d . . H07A H 0.093351 0.121161 0.749432 0.122 Uiso 1 1 calc R . C07B C 0.4297(7) -0.1635(9) 0.6834(4) 0.121(5) Uani 1 1 d . . H07B H 0.447340 -0.151119 0.658183 0.146 Uiso 1 1 calc R . C07D C 1.3114(11) 0.8117(11) 1.0247(6) 0.163(7) Uani 1 1 d . U H07C H 1.276892 0.817561 1.004942 0.196 Uiso 1 1 calc R U H07D H 1.284556 0.794253 1.047912 0.196 Uiso 1 1 calc R U C07E C 1.2853(9) 0.6778(10) 0.9889(5) 0.135(5) Uani 1 1 d . U H07E H 1.235234 0.665866 0.991319 0.162 Uiso 1 1 calc R U C07F C 1.3390(9) 0.7532(9) 1.0022(5) 0.137(5) Uani 1 1 d . U H07F H 1.360738 0.768227 0.977128 0.164 Uiso 1 1 calc R U H07G H 1.377969 0.751877 1.020838 0.164 Uiso 1 1 calc R U C07G C 1.3166(9) 0.6261(10) 0.9724(5) 0.152(6) Uani 1 1 d . U H07H H 1.353625 0.646353 0.954412 0.227 Uiso 1 1 calc GR U H07I H 1.279314 0.582480 0.956061 0.227 Uiso 1 1 calc GR U H07J H 1.338555 0.613617 0.995283 0.227 Uiso 1 1 calc GR U C07H C 1.3683(13) 0.8854(13) 1.0422(7) 0.195(9) Uani 1 1 d . U H07K H 1.396930 0.902880 1.019645 0.234 Uiso 1 1 calc R U H07L H 1.401229 0.881166 1.063658 0.234 Uiso 1 1 calc R U C07I C 1.3338(12) 0.9405(13) 1.0619(7) 0.201(9) Uani 1 1 d . U H07M H 1.300484 0.944098 1.040834 0.302 Uiso 1 1 calc GR U H07N H 1.371595 0.987997 1.072036 0.302 Uiso 1 1 calc GR U H07O H 1.307483 0.924543 1.085182 0.302 Uiso 1 1 calc GR U Cl0A Cl 0.2985(9) 0.1130(9) 0.7370(5) 0.474(9) Uani 1 1 d D U C8 C 0.1500(17) 0.0622(18) 0.5460(8) 0.83(7) Uani 1 1 d D U H8A H 0.180168 0.036491 0.554563 0.990 Uiso 1 1 calc R U H8B H 0.181955 0.108160 0.539661 0.990 Uiso 1 1 calc R U C10 C 0.0942(14) 0.0112(16) 0.5041(8) 0.45(3) Uani 1 1 d D U H10A H 0.061988 -0.034248 0.510868 0.541 Uiso 1 1 calc R U H10B H 0.063940 0.037235 0.495941 0.541 Uiso 1 1 calc R U C0AA C 0.306(9) 0.086(8) 0.6904(9) 1.78(3) Uani 1 1 d D U H0AA H 0.256191 0.065206 0.676366 2.131 Uiso 1 1 calc R U H0AB H 0.330951 0.129647 0.679629 2.131 Uiso 1 1 calc R U Cl6 Cl 0.3423(9) 0.0311(9) 0.6743(5) 0.498(9) Uani 1 1 d D U C5 C 0.1342(15) -0.0056(11) 0.4697(7) 0.272(13) Uani 1 1 d D U H5A H 0.185807 0.020836 0.477562 0.408 Uiso 1 1 calc GR U H5B H 0.119280 0.008722 0.445326 0.408 Uiso 1 1 calc GR U H5C H 0.124815 -0.057679 0.463052 0.408 Uiso 1 1 calc GR U C7 C 0.0645(15) 0.1235(15) 0.6491(7) 0.294(15) Uani 1 1 d D U H7A H 0.024230 0.078448 0.637691 0.442 Uiso 1 1 calc GR U H7B H 0.051746 0.164744 0.645245 0.442 Uiso 1 1 calc GR U H7C H 0.075043 0.127402 0.678855 0.442 Uiso 1 1 calc GR U C1AA C 0.1019(17) 0.0781(12) 0.5823(7) 0.41(3) Uani 1 1 d D U H1AA H 0.070739 0.100731 0.571207 0.497 Uiso 1 1 calc R U H1AB H 0.069516 0.030362 0.586143 0.497 Uiso 1 1 calc R U C11 C 0.1323(14) 0.1235(16) 0.6258(8) 0.315(18) Uani 1 1 d D U H11A H 0.163200 0.173351 0.624561 0.378 Uiso 1 1 calc R U H11B H 0.160979 0.101695 0.639896 0.378 Uiso 1 1 calc R U H H 0.889(5) 0.647(5) 0.812(3) 0.08(3) Uiso 1 1 d . . HA H 0.777(3) 0.464(3) 0.6733(19) 0.032(17) Uiso 1 1 d . . HB H 0.863(6) 0.648(6) 0.734(4) 0.13(4) Uiso 1 1 d . . HC H 0.624(4) 0.497(4) 0.794(2) 0.05(2) Uiso 1 1 d . . HD H 0.638(4) 0.595(4) 0.753(2) 0.042(19) Uiso 1 1 d . . HE H 0.764(3) 0.651(4) 0.812(4) 0.17(6) Uiso 1 1 d D . HF H 0.736(4) 0.711(4) 0.728(2) 0.044(19) Uiso 1 1 d . . HG H 0.750(4) 0.588(2) 0.677(2) 0.09(3) Uiso 1 1 d D . HH H 0.679(2) 0.449(6) 0.727(3) 0.11(4) Uiso 1 1 d D . HI H 0.8038(11) 0.513(4) 0.781(4) 0.16(5) Uiso 1 1 d D . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cu01 0.0277(5) 0.0260(5) 0.0193(4) 0.0064(4) 0.0022(3) 0.0109(4) Cu02 0.0300(5) 0.0310(5) 0.0222(5) 0.0067(4) 0.0011(3) 0.0144(4) Cu03 0.0298(5) 0.0310(5) 0.0207(4) 0.0048(4) -0.0011(3) 0.0149(4) Cu04 0.0322(5) 0.0283(5) 0.0229(5) 0.0075(4) 0.0013(4) 0.0142(4) Cu05 0.0307(5) 0.0277(5) 0.0252(5) 0.0096(4) 0.0018(4) 0.0129(4) Cu06 0.0273(5) 0.0312(5) 0.0231(5) 0.0068(4) 0.0000(3) 0.0120(4) Cu07 0.0290(5) 0.0308(5) 0.0213(4) 0.0072(4) 0.0039(3) 0.0134(4) Cu08 0.0310(5) 0.0303(5) 0.0249(5) 0.0091(4) 0.0064(4) 0.0131(4) Cu09 0.0322(5) 0.0288(5) 0.0229(5) 0.0054(4) 0.0050(4) 0.0127(4) Cu0A 0.0297(5) 0.0348(5) 0.0219(5) 0.0061(4) 0.0035(4) 0.0155(4) Cu0B 0.0342(5) 0.0280(5) 0.0230(5) 0.0044(4) 0.0056(4) 0.0138(4) Cu0C 0.0307(5) 0.0344(5) 0.0191(4) 0.0077(4) 0.0025(3) 0.0106(4) Cu0D 0.0318(5) 0.0268(5) 0.0262(5) 0.0037(4) 0.0020(4) 0.0094(4) Cu0E 0.0337(5) 0.0355(5) 0.0289(5) 0.0088(4) -0.0012(4) 0.0141(4) Cu0F 0.0319(5) 0.0385(6) 0.0262(5) 0.0105(4) 0.0030(4) 0.0132(4) Cu0G 0.0355(5) 0.0373(6) 0.0290(5) 0.0017(4) 0.0062(4) 0.0138(4) Cu0H 0.0462(6) 0.0411(6) 0.0234(5) 0.0055(4) -0.0003(4) 0.0246(5) Cu0I 0.0347(5) 0.0356(6) 0.0334(5) 0.0019(4) 0.0016(4) 0.0141(4) Cu0J 0.0408(6) 0.0375(6) 0.0304(5) 0.0141(4) -0.0047(4) 0.0093(5) Cu0K 0.0460(6) 0.0426(6) 0.0265(5) 0.0131(4) 0.0093(4) 0.0254(5) Cu0L 0.0465(6) 0.0314(5) 0.0341(5) 0.0086(4) 0.0055(4) 0.0141(5) Cu0M 0.0348(5) 0.0353(6) 0.0342(5) 0.0034(4) 0.0024(4) 0.0075(4) Cu0N 0.0315(5) 0.0375(6) 0.0444(6) 0.0128(5) 0.0013(4) 0.0143(5) Cu0O 0.0382(6) 0.0430(6) 0.0418(6) 0.0162(5) 0.0125(4) 0.0233(5) Cu0P 0.0341(5) 0.0524(7) 0.0272(5) 0.0082(4) 0.0068(4) 0.0146(5) S00Q 0.0300(8) 0.0337(9) 0.0241(8) 0.0075(6) 0.0028(6) 0.0155(7) S00R 0.0327(8) 0.0295(8) 0.0291(8) 0.0088(6) 0.0020(6) 0.0148(7) S0S 0.0324(8) 0.0349(9) 0.0200(7) 0.0072(6) 0.0046(6) 0.0178(7) S0T 0.0314(8) 0.0300(8) 0.0294(8) 0.0122(7) 0.0036(6) 0.0115(7) S00U 0.0326(8) 0.0367(9) 0.0206(8) 0.0091(6) 0.0034(6) 0.0127(7) S00V 0.0332(9) 0.0279(8) 0.0293(8) 0.0043(7) 0.0067(6) 0.0091(7) S0W 0.0304(8) 0.0334(9) 0.0233(8) 0.0036(6) -0.0024(6) 0.0137(7) S0X 0.0351(9) 0.0306(8) 0.0256(8) 0.0088(6) 0.0077(6) 0.0150(7) S0Y 0.0347(9) 0.0278(8) 0.0282(8) 0.0033(6) 0.0044(6) 0.0132(7) S0Z 0.0307(8) 0.0342(9) 0.0255(8) 0.0064(7) 0.0068(6) 0.0130(7) S010 0.0285(8) 0.0347(9) 0.0314(8) 0.0073(7) 0.0002(6) 0.0131(7) S011 0.0323(9) 0.0404(9) 0.0268(8) 0.0127(7) 0.0006(6) 0.0154(7) S12 0.0349(9) 0.0397(9) 0.0242(8) 0.0085(7) 0.0007(6) 0.0214(7) S13 0.0403(9) 0.0410(9) 0.0213(8) 0.0090(7) 0.0047(6) 0.0205(8) S14 0.0335(9) 0.0399(10) 0.0268(8) 0.0047(7) 0.0066(6) 0.0121(7) S15 0.0338(9) 0.0370(9) 0.0302(9) 0.0005(7) 0.0016(7) 0.0135(7) S16 0.0323(9) 0.0418(10) 0.0362(9) 0.0101(7) 0.0051(7) 0.0178(8) S17 0.0377(9) 0.0298(9) 0.0437(10) 0.0105(7) -0.0016(7) 0.0087(7) Cl18 0.0650(12) 0.0465(11) 0.0410(10) 0.0179(8) 0.0226(8) 0.0229(9) Cl19 0.0358(10) 0.0570(12) 0.0535(11) -0.0010(9) 0.0081(8) 0.0202(9) Cl1A 0.0538(11) 0.0499(11) 0.0534(11) 0.0093(9) 0.0221(9) 0.0259(9) Cl1B 0.0758(14) 0.0407(10) 0.0503(11) 0.0148(8) 0.0075(9) 0.0329(10) Cl1C 0.0425(10) 0.0712(13) 0.0402(10) 0.0086(9) 0.0152(8) 0.0225(10) Cl1D 0.0585(12) 0.0515(11) 0.0386(10) 0.0232(8) -0.0011(8) 0.0112(9) Cl1E 0.0481(11) 0.0718(13) 0.0346(10) 0.0072(9) -0.0012(8) 0.0227(10) Cl1F 0.0528(11) 0.0372(10) 0.0667(13) -0.0085(9) 0.0017(9) 0.0185(9) Cl1G 0.0558(12) 0.0403(10) 0.0601(12) 0.0084(9) 0.0142(9) 0.0190(9) P01H 0.0384(10) 0.0591(12) 0.0255(9) 0.0106(8) 0.0053(7) 0.0237(9) Cl1I 0.0451(11) 0.0700(13) 0.0383(10) 0.0130(9) -0.0067(8) 0.0157(10) Cl1J 0.0457(11) 0.0545(12) 0.0507(11) 0.0072(9) -0.0086(8) 0.0019(9) Cl1K 0.0595(12) 0.0905(16) 0.0426(11) 0.0356(11) 0.0095(9) 0.0315(12) Cl1L 0.0714(13) 0.0621(13) 0.0375(10) -0.0120(9) 0.0003(9) 0.0385(11) P01M 0.0476(11) 0.0513(12) 0.0365(10) 0.0082(9) 0.0070(8) 0.0232(10) Cl1N 0.0796(15) 0.0546(12) 0.0750(14) 0.0350(11) 0.0228(11) 0.0398(12) Cl1O 0.0578(12) 0.0969(17) 0.0307(10) 0.0057(10) -0.0050(8) 0.0385(12) P01P 0.0465(12) 0.0362(11) 0.0566(12) 0.0098(9) -0.0032(9) 0.0141(9) Cl1Q 0.0426(11) 0.0616(13) 0.0665(13) -0.0191(10) -0.0111(9) 0.0167(10) Cl1R 0.0673(14) 0.0654(14) 0.0926(16) 0.0386(12) 0.0495(12) 0.0383(12) Cl1S 0.0421(11) 0.0914(17) 0.0589(13) 0.0038(11) -0.0170(9) 0.0201(11) Cl1T 0.0579(13) 0.0951(18) 0.0702(14) 0.0245(12) -0.0053(10) 0.0444(13) Cl1U 0.0569(13) 0.0722(15) 0.0653(14) -0.0234(11) -0.0255(10) 0.0253(11) Cl1V 0.0587(14) 0.0923(18) 0.0735(15) 0.0344(13) 0.0341(11) 0.0208(13) Cl1W 0.0509(13) 0.0867(17) 0.0953(17) 0.0427(14) 0.0329(12) 0.0218(12) Cl1X 0.0406(11) 0.0845(17) 0.0743(15) -0.0258(12) -0.0184(10) 0.0178(11) Cl1Y 0.108(2) 0.0359(11) 0.0718(15) -0.0065(10) -0.0342(13) 0.0158(12) Cl1Z 0.1006(19) 0.0617(14) 0.0664(14) 0.0321(12) 0.0396(13) 0.0097(13) Cl20 0.0585(14) 0.0925(18) 0.0746(16) -0.0373(13) 0.0078(11) 0.0298(13) Cl21 0.0895(18) 0.0387(12) 0.111(2) 0.0105(12) -0.0314(15) 0.0159(12) Cl22 0.0816(17) 0.0685(16) 0.1002(19) 0.0048(13) -0.0451(14) 0.0329(14) Cl23 0.0517(14) 0.0669(16) 0.152(3) 0.0331(16) 0.0486(15) 0.0089(12) Cl24 0.146(3) 0.0761(17) 0.0769(17) 0.0240(13) -0.0127(16) 0.0685(18) Cl25 0.118(2) 0.099(2) 0.0641(15) 0.0421(15) 0.0375(15) 0.0148(17) Cl26 0.159(3) 0.140(3) 0.0551(15) 0.0179(15) 0.0447(16) 0.112(2) Cl27 0.216(4) 0.0677(17) 0.0849(19) 0.0337(14) 0.018(2) 0.085(2) Cl28 0.136(3) 0.0643(17) 0.110(2) -0.0199(15) 0.0376(19) 0.0490(18) Cl29 0.228(4) 0.0658(17) 0.0668(17) -0.0107(13) -0.024(2) 0.080(2) Cl2A 0.316(6) 0.112(3) 0.173(3) 0.090(3) 0.151(4) 0.162(4) C02B 0.032(4) 0.031(4) 0.023(3) 0.003(3) 0.006(3) 0.005(3) C02C 0.034(4) 0.035(4) 0.023(3) 0.004(3) 0.004(3) 0.018(3) C02D 0.042(4) 0.032(4) 0.027(3) 0.001(3) 0.000(3) 0.013(3) C02E 0.036(4) 0.040(4) 0.029(4) 0.009(3) -0.003(3) 0.021(3) C02F 0.026(3) 0.044(4) 0.036(4) 0.014(3) -0.002(3) 0.011(3) C02G 0.035(4) 0.032(4) 0.030(4) 0.003(3) 0.006(3) 0.018(3) C02H 0.040(4) 0.027(4) 0.033(4) 0.003(3) 0.009(3) 0.004(3) C02I 0.047(4) 0.034(4) 0.038(4) 0.004(3) 0.011(3) 0.010(3) C02J 0.027(3) 0.041(4) 0.030(4) 0.009(3) 0.001(3) 0.014(3) C02K 0.035(4) 0.044(4) 0.034(4) 0.003(3) 0.010(3) 0.016(3) C02L 0.025(3) 0.036(4) 0.042(4) 0.013(3) 0.003(3) 0.014(3) C02M 0.050(5) 0.042(4) 0.029(4) -0.007(3) -0.012(3) 0.022(4) C02N 0.051(5) 0.044(4) 0.022(3) 0.003(3) 0.007(3) 0.029(4) C02O 0.035(4) 0.041(4) 0.026(3) 0.007(3) 0.004(3) 0.022(3) C02P 0.038(4) 0.035(4) 0.026(3) 0.009(3) 0.002(3) 0.012(3) C02Q 0.038(4) 0.042(4) 0.020(3) 0.009(3) 0.009(3) 0.023(3) C02R 0.037(4) 0.039(4) 0.029(4) 0.010(3) 0.007(3) 0.019(3) C02S 0.058(5) 0.034(4) 0.027(4) 0.007(3) 0.014(3) 0.021(4) C02T 0.041(4) 0.050(5) 0.035(4) 0.012(3) 0.009(3) 0.025(4) C02U 0.059(5) 0.055(5) 0.017(3) 0.007(3) 0.003(3) 0.036(4) C02V 0.035(4) 0.040(4) 0.037(4) 0.008(3) 0.005(3) 0.020(3) C02W 0.040(4) 0.052(5) 0.055(5) 0.024(4) 0.015(4) 0.020(4) C02X 0.046(4) 0.052(5) 0.029(4) 0.008(3) 0.012(3) 0.033(4) C02Y 0.045(4) 0.043(4) 0.025(3) 0.008(3) 0.004(3) 0.019(3) C02Z 0.019(3) 0.051(5) 0.054(5) 0.001(4) 0.002(3) 0.012(3) C030 0.044(4) 0.044(4) 0.022(3) 0.000(3) -0.004(3) 0.021(3) C031 0.033(4) 0.048(5) 0.038(4) 0.002(3) 0.002(3) 0.011(3) C032 0.042(4) 0.036(4) 0.041(4) -0.011(3) -0.002(3) 0.004(3) C033 0.043(4) 0.027(4) 0.035(4) 0.011(3) 0.005(3) 0.016(3) C034 0.034(4) 0.042(4) 0.035(4) 0.000(3) 0.003(3) 0.010(3) C035 0.042(4) 0.065(5) 0.029(4) 0.015(3) 0.011(3) 0.030(4) C036 0.034(4) 0.032(4) 0.035(4) 0.007(3) 0.013(3) 0.015(3) C037 0.035(4) 0.031(4) 0.031(4) 0.005(3) 0.002(3) 0.006(3) C038 0.043(4) 0.053(5) 0.026(4) -0.005(3) -0.002(3) 0.019(4) C039 0.057(5) 0.044(4) 0.044(4) 0.015(3) 0.018(3) 0.027(4) C03A 0.032(4) 0.046(4) 0.048(4) 0.019(3) 0.000(3) 0.016(3) C03B 0.042(4) 0.036(4) 0.028(4) 0.006(3) 0.002(3) 0.013(3) C03C 0.036(4) 0.039(4) 0.031(4) -0.002(3) 0.004(3) 0.012(3) C03D 0.059(5) 0.031(4) 0.031(4) 0.003(3) 0.006(3) 0.018(4) C03E 0.045(4) 0.037(4) 0.037(4) 0.007(3) 0.010(3) 0.022(3) C03F 0.071(6) 0.042(5) 0.045(5) 0.013(4) 0.015(4) 0.019(4) C03G 0.036(4) 0.036(4) 0.053(4) 0.020(3) 0.014(3) 0.015(3) C03H 0.040(4) 0.060(5) 0.036(4) 0.017(4) 0.011(3) 0.028(4) C03I 0.037(4) 0.039(4) 0.042(4) 0.011(3) 0.007(3) 0.022(3) C03J 0.055(5) 0.048(5) 0.037(4) 0.012(3) 0.003(3) 0.034(4) C03K 0.042(4) 0.057(5) 0.033(4) 0.009(3) 0.004(3) 0.028(4) C03L 0.067(5) 0.044(5) 0.027(4) 0.012(3) 0.003(3) 0.020(4) C03M 0.042(4) 0.052(5) 0.041(4) 0.011(3) 0.010(3) 0.023(4) C03N 0.039(4) 0.049(5) 0.037(4) -0.003(3) 0.000(3) 0.012(4) C03O 0.040(4) 0.060(5) 0.029(4) 0.007(3) 0.005(3) 0.024(4) C03P 0.060(5) 0.051(5) 0.030(4) 0.013(3) 0.006(3) 0.023(4) C03Q 0.061(5) 0.047(5) 0.030(4) 0.009(3) 0.004(3) 0.024(4) C03R 0.058(5) 0.033(4) 0.041(4) 0.000(3) 0.008(3) 0.025(4) C03S 0.044(5) 0.065(6) 0.034(4) -0.002(4) -0.004(3) 0.025(4) C03T 0.040(4) 0.051(5) 0.039(4) -0.009(3) -0.001(3) 0.019(4) C03U 0.047(4) 0.044(4) 0.021(3) 0.006(3) 0.002(3) 0.020(3) C03V 0.055(5) 0.067(6) 0.034(4) 0.015(4) 0.008(3) 0.033(5) C03W 0.040(4) 0.063(5) 0.026(4) -0.004(3) -0.001(3) 0.017(4) C03X 0.058(5) 0.048(5) 0.023(4) 0.004(3) 0.004(3) 0.020(4) C03Y 0.053(5) 0.054(5) 0.028(4) 0.011(3) 0.006(3) 0.022(4) C03Z 0.036(4) 0.043(4) 0.044(4) 0.011(3) 0.007(3) 0.011(3) C040 0.053(5) 0.053(5) 0.028(4) 0.005(3) -0.004(3) 0.027(4) C041 0.043(4) 0.045(5) 0.058(5) 0.021(4) 0.012(4) 0.025(4) C042 0.047(4) 0.058(5) 0.029(4) 0.011(3) 0.006(3) 0.025(4) C043 0.053(5) 0.060(5) 0.030(4) 0.011(4) 0.000(3) 0.024(4) C044 0.031(4) 0.040(4) 0.047(5) -0.005(3) -0.008(3) 0.012(3) C045 0.037(4) 0.055(5) 0.053(5) 0.009(4) 0.001(3) 0.020(4) C046 0.049(5) 0.052(5) 0.043(4) 0.014(4) 0.022(3) 0.014(4) C047 0.035(4) 0.039(4) 0.038(4) 0.010(3) 0.003(3) 0.018(3) C048 0.037(4) 0.045(5) 0.058(5) 0.009(4) 0.003(3) 0.016(4) C049 0.041(5) 0.072(6) 0.044(4) 0.017(4) 0.008(3) 0.024(4) C04A 0.046(4) 0.039(4) 0.030(4) 0.010(3) 0.004(3) 0.016(3) C04B 0.037(4) 0.054(5) 0.032(4) 0.015(3) 0.003(3) 0.022(4) C04C 0.039(4) 0.032(4) 0.047(4) 0.008(3) 0.010(3) 0.016(3) C04D 0.049(5) 0.065(5) 0.026(4) 0.010(3) 0.000(3) 0.021(4) C04E 0.042(4) 0.041(4) 0.034(4) 0.000(3) -0.002(3) 0.012(3) C04F 0.053(5) 0.067(6) 0.039(4) 0.017(4) 0.017(4) 0.034(4) C04G 0.050(5) 0.072(6) 0.038(4) 0.021(4) 0.002(3) 0.028(4) C04H 0.044(4) 0.031(4) 0.047(4) -0.001(3) -0.002(3) 0.012(3) C04I 0.043(5) 0.039(4) 0.067(5) 0.012(4) -0.017(4) 0.015(4) C04J 0.061(5) 0.049(5) 0.041(4) 0.016(4) 0.018(4) 0.009(4) C04K 0.048(5) 0.060(5) 0.027(4) 0.011(3) 0.004(3) 0.028(4) C04L 0.043(4) 0.044(4) 0.041(4) 0.010(3) 0.013(3) 0.011(4) C04M 0.045(5) 0.076(6) 0.033(4) 0.000(4) 0.003(3) 0.031(4) C04N 0.039(4) 0.057(5) 0.077(6) 0.037(4) 0.010(4) 0.025(4) C04O 0.050(5) 0.035(4) 0.044(4) 0.009(3) 0.014(3) 0.016(4) C04P 0.077(6) 0.054(5) 0.046(5) 0.000(4) 0.004(4) 0.044(5) C04Q 0.044(4) 0.058(5) 0.023(3) 0.005(3) 0.000(3) 0.026(4) C04R 0.062(5) 0.045(5) 0.044(4) 0.022(4) 0.024(4) 0.028(4) C04S 0.042(4) 0.059(5) 0.032(4) 0.004(3) 0.004(3) 0.024(4) C04T 0.061(5) 0.081(6) 0.038(4) 0.020(4) 0.017(4) 0.051(5) C04U 0.056(5) 0.058(5) 0.039(4) -0.013(4) 0.011(4) 0.010(4) C04V 0.040(5) 0.034(4) 0.093(7) 0.015(4) 0.024(4) 0.014(4) C04W 0.031(4) 0.044(4) 0.068(5) 0.023(4) 0.004(3) 0.010(3) C04X 0.056(5) 0.048(5) 0.045(4) 0.010(4) 0.000(4) 0.028(4) C04Y 0.046(4) 0.063(5) 0.034(4) 0.017(4) 0.018(3) 0.019(4) C04Z 0.054(5) 0.031(4) 0.047(4) 0.009(3) -0.016(3) 0.012(4) C050 0.050(5) 0.032(4) 0.068(5) 0.016(4) 0.014(4) 0.018(4) C051 0.037(5) 0.054(6) 0.119(8) 0.050(5) 0.000(5) 0.010(4) C052 0.047(5) 0.050(5) 0.055(5) 0.013(4) -0.005(4) 0.021(4) C053 0.048(5) 0.044(5) 0.072(5) 0.029(4) 0.032(4) 0.020(4) C054 0.061(5) 0.045(5) 0.053(5) 0.022(4) 0.013(4) 0.011(4) C055 0.049(5) 0.055(5) 0.054(5) 0.011(4) 0.008(4) 0.017(4) C056 0.075(6) 0.079(6) 0.031(4) 0.005(4) 0.011(4) 0.055(5) C057 0.056(5) 0.056(5) 0.032(4) 0.011(3) -0.007(3) 0.025(4) C058 0.069(6) 0.047(5) 0.043(5) 0.012(4) 0.003(4) 0.021(4) C059 0.070(6) 0.042(5) 0.055(5) 0.004(4) -0.011(4) 0.028(4) C05A 0.069(6) 0.048(5) 0.071(6) 0.009(4) 0.014(5) 0.033(5) C05B 0.065(6) 0.076(6) 0.030(4) 0.010(4) 0.002(3) 0.045(5) C05C 0.100(8) 0.062(6) 0.038(5) 0.016(4) -0.001(5) 0.032(6) C05D 0.117(8) 0.056(6) 0.066(6) 0.022(5) 0.047(6) 0.060(6) C05E 0.042(4) 0.063(5) 0.053(5) 0.026(4) 0.020(4) 0.027(4) C05F 0.041(4) 0.060(5) 0.045(4) 0.006(4) 0.003(3) 0.026(4) C05G 0.065(5) 0.038(4) 0.061(5) 0.013(4) -0.020(4) 0.017(4) C05H 0.058(5) 0.048(5) 0.043(4) 0.007(4) 0.005(4) 0.025(4) C05I 0.046(5) 0.038(4) 0.061(5) 0.019(4) 0.000(4) 0.009(4) C05J 0.042(4) 0.058(5) 0.050(5) 0.003(4) -0.003(3) 0.024(4) C05K 0.047(5) 0.070(6) 0.038(4) 0.014(4) 0.003(3) 0.030(4) C05L 0.028(4) 0.036(4) 0.081(6) 0.012(4) 0.002(4) 0.007(3) C05M 0.072(6) 0.080(7) 0.038(5) 0.016(4) 0.017(4) 0.034(5) C05N 0.042(5) 0.042(5) 0.071(6) 0.019(4) -0.008(4) 0.013(4) C05O 0.053(5) 0.051(5) 0.040(4) -0.006(4) 0.005(3) 0.021(4) C05P 0.062(6) 0.056(5) 0.061(6) 0.011(4) 0.014(4) 0.029(5) C05Q 0.055(5) 0.070(6) 0.043(5) 0.020(4) 0.013(4) 0.011(5) C05R 0.074(6) 0.064(5) 0.037(4) 0.011(4) 0.006(4) 0.047(5) C05S 0.053(5) 0.089(7) 0.034(4) 0.019(4) 0.008(3) 0.037(5) C05T 0.048(5) 0.112(8) 0.035(4) -0.006(5) 0.007(4) 0.034(5) C05U 0.094(7) 0.051(5) 0.038(4) 0.017(4) 0.009(4) 0.025(5) C05V 0.066(6) 0.067(6) 0.045(5) 0.014(4) 0.010(4) 0.038(5) C05W 0.057(5) 0.061(5) 0.042(4) 0.006(4) 0.000(4) 0.030(5) C05X 0.059(5) 0.082(6) 0.039(4) 0.021(4) 0.007(4) 0.036(5) C05Y 0.048(5) 0.047(5) 0.038(4) -0.016(3) -0.001(3) 0.018(4) C05Z 0.050(5) 0.100(8) 0.045(5) 0.018(5) 0.014(4) 0.035(5) C060 0.083(7) 0.057(6) 0.043(5) 0.017(4) 0.004(4) 0.043(5) C061 0.072(6) 0.041(5) 0.062(6) -0.004(4) 0.005(4) 0.024(4) C062 0.061(6) 0.038(5) 0.107(8) 0.010(5) 0.046(6) 0.014(5) C063 0.056(5) 0.058(5) 0.044(5) 0.008(4) 0.015(4) 0.015(4) C064 0.053(5) 0.054(6) 0.064(6) 0.001(4) -0.006(4) 0.022(4) C065 0.045(5) 0.045(5) 0.095(7) 0.011(5) 0.003(4) 0.014(4) C066 0.075(6) 0.062(6) 0.031(4) 0.008(4) -0.018(4) 0.035(5) C067 0.061(5) 0.057(5) 0.064(5) 0.018(4) 0.021(4) 0.033(5) C068 0.063(5) 0.066(6) 0.041(5) 0.002(4) 0.004(4) 0.035(5) C069 0.140(10) 0.060(6) 0.032(5) 0.016(4) 0.012(5) 0.061(7) C06A 0.093(8) 0.045(5) 0.066(6) 0.015(4) 0.023(5) 0.008(5) C06B 0.049(5) 0.114(9) 0.051(6) 0.051(6) 0.017(4) 0.020(6) C06C 0.060(5) 0.079(6) 0.047(5) 0.012(4) 0.004(4) 0.037(5) C06D 0.128(9) 0.063(6) 0.077(6) 0.043(5) 0.058(6) 0.062(6) C06E 0.068(6) 0.057(6) 0.057(5) 0.015(4) 0.021(4) 0.022(5) C06F 0.095(8) 0.077(7) 0.041(5) 0.016(4) 0.008(4) 0.064(6) C06G 0.052(5) 0.082(7) 0.077(6) 0.035(5) 0.010(5) 0.025(5) C06H 0.111(8) 0.058(6) 0.055(6) 0.003(4) -0.012(5) 0.053(6) C06I 0.062(6) 0.052(5) 0.070(6) 0.011(4) -0.011(5) 0.008(5) C06J 0.050(5) 0.052(5) 0.060(5) 0.010(4) -0.002(4) 0.012(4) C06K 0.064(6) 0.086(7) 0.091(8) 0.048(6) 0.024(5) 0.042(6) C06L 0.037(5) 0.076(7) 0.083(7) 0.029(6) 0.008(4) 0.009(5) C06M 0.101(9) 0.059(6) 0.095(8) 0.042(6) 0.054(7) 0.049(6) C06N 0.090(8) 0.063(6) 0.064(6) 0.026(5) 0.026(5) 0.035(6) C06O 0.056(6) 0.069(7) 0.085(7) 0.013(6) 0.003(5) 0.002(5) C06P 0.064(6) 0.077(7) 0.075(6) 0.041(5) 0.007(5) 0.023(5) C06Q 0.059(6) 0.135(10) 0.029(4) 0.010(5) 0.013(4) 0.029(6) C06R 0.042(5) 0.047(5) 0.067(5) 0.008(4) 0.004(4) 0.006(4) C06S 0.108(8) 0.037(5) 0.058(6) -0.004(4) -0.031(5) 0.024(5) C06T 0.055(6) 0.046(5) 0.092(7) 0.000(5) 0.015(5) 0.007(5) C06U 0.053(6) 0.047(5) 0.120(8) 0.015(5) 0.010(5) 0.017(5) C06V 0.054(6) 0.060(6) 0.063(6) 0.018(5) -0.002(4) 0.005(5) C06W 0.113(9) 0.067(7) 0.054(6) -0.001(5) 0.002(5) 0.040(6) C06X 0.127(9) 0.051(6) 0.051(5) 0.002(4) -0.008(5) 0.045(6) C06Y 0.101(8) 0.041(5) 0.098(8) 0.001(5) -0.040(6) 0.021(5) C06Z 0.077(7) 0.113(9) 0.103(8) 0.068(7) 0.011(6) 0.039(7) C070 0.057(6) 0.058(6) 0.093(8) 0.017(5) 0.014(5) 0.007(5) C071 0.188(13) 0.075(7) 0.094(8) 0.050(6) 0.075(9) 0.093(9) C072 0.073(7) 0.078(7) 0.086(8) -0.027(6) 0.019(6) 0.013(6) C073 0.093(8) 0.110(9) 0.040(5) 0.010(6) 0.009(5) 0.051(7) C074 0.096(9) 0.049(7) 0.139(12) -0.011(8) -0.031(8) 0.033(6) C075 0.172(14) 0.077(8) 0.074(8) -0.015(6) 0.003(8) 0.062(9) C076 0.061(7) 0.084(10) 0.158(14) -0.064(9) 0.002(8) 0.024(7) C078 0.074(7) 0.077(7) 0.118(9) 0.044(7) -0.009(6) 0.031(6) C079 0.082(8) 0.113(10) 0.097(8) 0.067(7) 0.000(6) 0.033(7) C07A 0.147(12) 0.138(12) 0.038(6) 0.000(7) 0.018(6) 0.083(10) C07B 0.095(9) 0.133(13) 0.101(10) -0.030(9) 0.040(7) 0.026(9) C07D 0.178(11) 0.168(10) 0.154(10) 0.079(8) -0.008(8) 0.052(8) C07E 0.114(8) 0.154(9) 0.134(9) 0.049(7) 0.018(7) 0.036(7) C07F 0.148(9) 0.145(9) 0.108(8) 0.077(7) 0.010(7) 0.014(7) C07G 0.122(11) 0.188(14) 0.134(11) 0.007(10) 0.046(9) 0.055(10) C07H 0.209(12) 0.201(12) 0.171(11) 0.070(9) 0.011(9) 0.053(9) C07I 0.209(16) 0.232(17) 0.211(16) 0.063(13) 0.042(13) 0.130(14) Cl0A 0.489(16) 0.488(16) 0.477(15) 0.196(13) -0.040(13) 0.168(13) C8 0.83(7) 0.82(7) 0.83(7) 0.183(18) 0.082(12) 0.29(3) C10 0.45(3) 0.45(3) 0.45(3) 0.103(12) 0.051(11) 0.155(14) C0AA 2.00(3) 2.00(3) 2.00(3) 0.392(6) 0.168(3) 1.570(9) Cl6 0.413(15) 0.576(18) 0.484(15) 0.229(14) -0.087(12) 0.095(13) C5 0.31(2) 0.197(18) 0.27(2) 0.056(15) -0.025(17) 0.037(15) C7 0.30(2) 0.28(2) 0.26(2) 0.103(17) 0.034(17) 0.023(16) C1AA 0.42(3) 0.41(3) 0.41(3) 0.096(11) 0.040(10) 0.140(13) C11 0.32(2) 0.30(2) 0.31(2) 0.074(10) 0.018(10) 0.100(11) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 Cu02 Cu01 Cu03 61.83(3) Cu02 Cu01 Cu05 118.61(4) Cu02 Cu01 Cu06 62.10(3) Cu02 Cu01 Cu0A 141.86(4) Cu02 Cu01 HI 163(2) Cu03 Cu01 Cu05 86.21(4) Cu03 Cu01 HI 103(3) Cu04 Cu01 Cu02 118.40(4) Cu04 Cu01 Cu03 56.59(3) Cu04 Cu01 Cu05 59.69(3) Cu04 Cu01 Cu06 89.30(4) Cu04 Cu01 Cu07 60.97(3) Cu04 Cu01 Cu08 120.41(4) Cu04 Cu01 Cu09 118.97(4) Cu04 Cu01 Cu0A 65.60(3) Cu04 Cu01 Cu0B 174.63(5) Cu04 Cu01 Cu0D 122.81(4) Cu04 Cu01 HI 47(3) Cu05 Cu01 HI 49.5(4) Cu06 Cu01 Cu03 61.89(3) Cu06 Cu01 Cu05 56.61(3) Cu06 Cu01 HI 105.4(7) Cu07 Cu01 Cu02 85.76(3) Cu07 Cu01 Cu03 57.18(3) Cu07 Cu01 Cu05 120.46(4) Cu07 Cu01 Cu06 118.94(4) Cu07 Cu01 Cu08 59.45(3) Cu07 Cu01 Cu09 175.50(4) Cu07 Cu01 Cu0A 62.45(3) Cu07 Cu01 HI 92(2) Cu08 Cu01 Cu02 56.50(3) Cu08 Cu01 Cu03 89.86(4) Cu08 Cu01 Cu05 174.91(4) Cu08 Cu01 Cu06 118.57(4) Cu08 Cu01 Cu09 120.34(4) Cu08 Cu01 Cu0A 87.82(4) Cu08 Cu01 HI 134.9(4) Cu09 Cu01 Cu02 90.57(4) Cu09 Cu01 Cu03 118.68(4) Cu09 Cu01 Cu05 59.29(3) Cu09 Cu01 Cu06 56.83(3) Cu09 Cu01 Cu0A 121.92(4) Cu09 Cu01 HI 91(2) Cu0A Cu01 Cu03 110.08(4) Cu0A Cu01 Cu05 96.56(4) Cu0A Cu01 Cu06 151.07(4) Cu0A Cu01 HI 47.1(4) Cu0B Cu01 Cu02 57.20(3) Cu0B Cu01 Cu03 118.86(4) Cu0B Cu01 Cu05 118.73(4) Cu0B Cu01 Cu06 85.77(4) Cu0B Cu01 Cu07 119.90(4) Cu0B Cu01 Cu08 60.65(3) Cu0B Cu01 Cu09 59.69(3) Cu0B Cu01 Cu0A 119.71(4) Cu0B Cu01 HI 136(3) Cu0C Cu01 Cu02 150.05(4) Cu0C Cu01 Cu03 143.09(4) Cu0C Cu01 Cu04 88.94(4) Cu0C Cu01 Cu05 62.92(3) Cu0C Cu01 Cu06 109.79(4) Cu0C Cu01 Cu07 120.42(4) Cu0C Cu01 Cu08 121.89(4) Cu0C Cu01 Cu09 63.82(3) Cu0C Cu01 Cu0A 58.30(3) Cu0C Cu01 Cu0B 94.72(4) Cu0C Cu01 Cu0D 57.87(3) Cu0C Cu01 HI 42(3) Cu0D Cu01 Cu02 109.39(4) Cu0D Cu01 Cu03 150.12(4) Cu0D Cu01 Cu05 120.45(4) Cu0D Cu01 Cu06 142.62(4) Cu0D Cu01 Cu07 95.08(4) Cu0D Cu01 Cu08 64.18(3) Cu0D Cu01 Cu09 88.59(4) Cu0D Cu01 Cu0A 57.45(3) Cu0D Cu01 Cu0B 62.55(3) Cu0D Cu01 HI 87(2) Cu01 Cu02 Cu03 59.25(3) Cu01 Cu02 Cu06 59.11(3) Cu01 Cu02 Cu0K 113.38(4) Cu01 Cu02 HD 62(2) Cu01 Cu02 HF 80(2) Cu01 Cu02 HG 61(3) Cu03 Cu02 Cu06 60.04(3) Cu03 Cu02 HD 96(2) Cu03 Cu02 HF 130(2) Cu03 Cu02 HG 46.8(15) Cu06 Cu02 HD 39(2) Cu06 Cu02 HF 122.0(19) Cu06 Cu02 HG 101(2) Cu08 Cu02 Cu01 61.70(3) Cu08 Cu02 Cu03 91.34(4) Cu08 Cu02 Cu06 120.79(4) Cu08 Cu02 Cu0B 63.99(3) Cu08 Cu02 Cu0K 97.56(4) Cu08 Cu02 Cu0O 155.88(5) Cu08 Cu02 HD 108(2) Cu08 Cu02 HF 42(2) Cu08 Cu02 HG 48.6(7) Cu0B Cu02 Cu01 61.24(3) Cu0B Cu02 Cu03 120.33(4) Cu0B Cu02 Cu06 86.28(4) Cu0B Cu02 Cu0K 161.41(5) Cu0B Cu02 Cu0O 92.69(4) Cu0B Cu02 HD 51(2) Cu0B Cu02 HF 36.3(19) Cu0B Cu02 HG 104.9(16) Cu0K Cu02 Cu03 59.03(3) Cu0K Cu02 Cu06 106.48(4) Cu0K Cu02 HD 145(2) Cu0K Cu02 HF 127.6(19) Cu0K Cu02 HG 60(2) Cu0O Cu02 Cu01 113.91(4) Cu0O Cu02 Cu03 106.74(4) Cu0O Cu02 Cu06 59.66(3) Cu0O Cu02 Cu0K 105.36(4) Cu0O Cu02 HD 56(2) Cu0O Cu02 HF 115.0(19) Cu0O Cu02 HG 153.1(11) S12 Cu02 Cu01 157.64(6) S12 Cu02 Cu03 101.24(5) S12 Cu02 Cu06 102.86(5) S12 Cu02 Cu08 134.72(6) S12 Cu02 Cu0B 135.47(6) S12 Cu02 Cu0K 55.92(5) S12 Cu02 Cu0O 58.22(5) S12 Cu02 HD 114(2) S12 Cu02 HF 123(2) S12 Cu02 HG 116(2) HD Cu02 HF 87(3) HD Cu02 HG 122(3) HF Cu02 HG 91(2) Cu01 Cu03 Cu02 58.92(3) Cu01 Cu03 Cu06 59.05(3) Cu01 Cu03 Cu0K 113.63(4) Cu01 Cu03 Cu0L 112.69(4) Cu01 Cu03 HA 88(2) Cu01 Cu03 HG 60(2) Cu01 Cu03 HH 61(3) Cu02 Cu03 Cu06 60.17(3) Cu02 Cu03 HA 133(2) Cu02 Cu03 HG 44(3) Cu02 Cu03 HH 100(3) Cu04 Cu03 Cu01 60.89(3) Cu04 Cu03 Cu02 119.80(4) Cu04 Cu03 Cu06 90.09(4) Cu04 Cu03 Cu07 63.99(3) Cu04 Cu03 Cu0K 156.11(5) Cu04 Cu03 Cu0L 97.09(4) Cu04 Cu03 HA 41.9(19) Cu04 Cu03 HG 102(3) Cu04 Cu03 HH 48.6(8) Cu06 Cu03 HA 132.0(19) Cu06 Cu03 HG 99(2) Cu06 Cu03 HH 45.9(17) Cu07 Cu03 Cu01 61.14(3) Cu07 Cu03 Cu02 86.28(4) Cu07 Cu03 Cu06 120.06(4) Cu07 Cu03 Cu0K 92.65(4) Cu07 Cu03 Cu0L 160.98(5) Cu07 Cu03 HA 47(2) Cu07 Cu03 HG 45(3) Cu07 Cu03 HH 105.5(18) Cu0K Cu03 Cu02 59.64(3) Cu0K Cu03 Cu06 107.07(4) Cu0K Cu03 Cu0L 105.99(4) Cu0K Cu03 HA 118.4(19) Cu0K Cu03 HG 60(2) Cu0K Cu03 HH 152.5(12) Cu0L Cu03 Cu02 106.19(4) Cu0L Cu03 Cu06 58.44(3) Cu0L Cu03 HA 118(2) Cu0L Cu03 HG 150(3) Cu0L Cu03 HH 59(2) S0W Cu03 Cu01 155.90(6) S0W Cu03 Cu02 101.48(5) S0W Cu03 Cu04 136.59(6) S0W Cu03 Cu06 100.06(5) S0W Cu03 Cu07 136.61(6) S0W Cu03 Cu0K 57.88(5) S0W Cu03 Cu0L 56.08(5) S0W Cu03 HA 116(2) S0W Cu03 HG 118(2) S0W Cu03 HH 115(2) HA Cu03 HG 92(3) HA Cu03 HH 89(2) HG Cu03 HH 121(4) Cu01 Cu04 Cu05 61.03(3) Cu01 Cu04 Cu07 60.02(3) Cu01 Cu04 Cu0A 57.83(3) Cu01 Cu04 Cu0J 106.34(4) Cu01 Cu04 Cu0M 116.47(4) Cu01 Cu04 HA 92(2) Cu01 Cu04 HH 62(3) Cu01 Cu04 HI 57.8(9) Cu03 Cu04 Cu01 62.52(3) Cu03 Cu04 Cu05 90.27(4) Cu03 Cu04 Cu07 58.67(3) Cu03 Cu04 Cu0A 108.55(4) Cu03 Cu04 Cu0J 165.31(5) Cu03 Cu04 Cu0M 94.62(4) Cu03 Cu04 HA 46(2) Cu03 Cu04 HH 50(3) Cu03 Cu04 HI 119.2(9) Cu05 Cu04 Cu07 120.85(4) Cu05 Cu04 Cu0A 92.64(4) Cu05 Cu04 Cu0J 92.17(4) Cu05 Cu04 Cu0M 60.85(3) Cu05 Cu04 HA 137(2) Cu05 Cu04 HH 44(3) Cu05 Cu04 HI 51.9(7) Cu07 Cu04 Cu0A 59.51(3) Cu07 Cu04 Cu0M 152.39(4) Cu07 Cu04 HA 44(2) Cu07 Cu04 HH 102(3) Cu07 Cu04 HI 98.2(5) Cu0A Cu04 HA 101(2) Cu0A Cu04 HH 118(3) Cu0A Cu04 HI 44.6(5) Cu0J Cu04 Cu07 108.06(4) Cu0J Cu04 Cu0A 56.86(3) Cu0J Cu04 Cu0M 99.22(4) Cu0J Cu04 HA 130(2) Cu0J Cu04 HH 136(3) Cu0J Cu04 HI 53.1(9) Cu0M Cu04 Cu0A 145.20(4) Cu0M Cu04 HA 114(2) Cu0M Cu04 HH 59(3) Cu0M Cu04 HI 101.5(5) S00R Cu04 Cu01 153.27(6) S00R Cu04 Cu03 136.94(6) S00R Cu04 Cu05 96.53(5) S00R Cu04 Cu07 141.33(6) S00R Cu04 Cu0A 113.50(5) S00R Cu04 Cu0J 57.07(5) S00R Cu04 Cu0M 54.07(5) S00R Cu04 HA 115(2) S00R Cu04 HH 113(3) S00R Cu04 HI 97.6(8) HA Cu04 HH 95(4) HA Cu04 HI 142(2) HH Cu04 HI 91(3) Cu01 Cu05 Cu0C 57.65(3) Cu01 Cu05 Cu0E 113.69(4) Cu01 Cu05 Cu0M 116.13(4) Cu01 Cu05 HC 87(3) Cu01 Cu05 HH 62(3) Cu01 Cu05 HI 56.1(6) Cu04 Cu05 Cu01 59.29(3) Cu04 Cu05 Cu0C 85.78(4) Cu04 Cu05 Cu0E 98.62(4) Cu04 Cu05 Cu0M 62.21(3) Cu04 Cu05 HC 137(2) Cu04 Cu05 HH 46.2(7) Cu04 Cu05 HI 48(3) Cu06 Cu05 Cu01 61.57(3) Cu06 Cu05 Cu04 92.04(4) Cu06 Cu05 Cu09 58.66(3) Cu06 Cu05 Cu0C 109.52(4) Cu06 Cu05 Cu0E 163.51(5) Cu06 Cu05 Cu0M 98.24(4) Cu06 Cu05 HC 46(2) Cu06 Cu05 HH 50.7(18) Cu06 Cu05 HI 116.8(10) Cu09 Cu05 Cu01 60.06(3) Cu09 Cu05 Cu04 119.34(4) Cu09 Cu05 Cu0C 62.18(3) Cu09 Cu05 Cu0E 104.95(4) Cu09 Cu05 Cu0M 156.30(5) Cu09 Cu05 HC 38(3) Cu09 Cu05 HH 103(3) Cu09 Cu05 HI 96(2) Cu0C Cu05 HC 99(3) Cu0C Cu05 HH 116(3) Cu0C Cu05 HI 40(3) Cu0E Cu05 Cu0C 59.20(3) Cu0E Cu05 HC 121(2) Cu0E Cu05 HH 143.4(13) Cu0E Cu05 HI 64(2) Cu0M Cu05 Cu0C 138.33(4) Cu0M Cu05 Cu0E 97.85(4) Cu0M Cu05 HC 123(3) Cu0M Cu05 HH 60(3) Cu0M Cu05 HI 100(3) S0T Cu05 Cu01 158.09(6) S0T Cu05 Cu04 102.57(5) S0T Cu05 Cu06 136.21(6) S0T Cu05 Cu09 136.20(6) S0T Cu05 Cu0C 112.53(5) S0T Cu05 Cu0E 53.34(5) S0T Cu05 Cu0M 56.06(5) S0T Cu05 HC 114(3) S0T Cu05 HH 116(3) S0T Cu05 HI 103.2(6) HC Cu05 HH 96(3) HC Cu05 HI 134(3) HH Cu05 HI 90(3) Cu01 Cu06 Cu02 58.79(3) Cu01 Cu06 Cu03 59.06(3) Cu01 Cu06 Cu0O 112.18(4) Cu01 Cu06 HC 85(2) Cu01 Cu06 HD 64(2) Cu01 Cu06 HH 61(3) Cu02 Cu06 HC 132(2) Cu02 Cu06 HD 46(2) Cu02 Cu06 HH 99(3) Cu03 Cu06 Cu02 59.79(3) Cu03 Cu06 HC 130(2) Cu03 Cu06 HD 102(2) Cu03 Cu06 HH 45(3) Cu05 Cu06 Cu01 61.82(3) Cu05 Cu06 Cu02 120.51(4) Cu05 Cu06 Cu03 87.45(4) Cu05 Cu06 Cu09 62.73(3) Cu05 Cu06 Cu0L 93.30(4) Cu05 Cu06 Cu0O 160.73(5) Cu05 Cu06 HC 43(2) Cu05 Cu06 HD 108(2) Cu05 Cu06 HH 46(3) Cu09 Cu06 Cu01 61.39(3) Cu09 Cu06 Cu02 91.25(4) Cu09 Cu06 Cu03 120.41(4) Cu09 Cu06 Cu0L 155.32(5) Cu09 Cu06 Cu0O 98.10(4) Cu09 Cu06 HC 41(2) Cu09 Cu06 HD 51(2) Cu09 Cu06 HH 102(3) Cu0L Cu06 Cu01 114.15(4) Cu0L Cu06 Cu02 107.15(4) Cu0L Cu06 Cu03 60.04(3) Cu0L Cu06 Cu0O 105.53(4) Cu0L Cu06 HC 117(2) Cu0L Cu06 HD 152(2) Cu0L Cu06 HH 60(3) Cu0O Cu06 Cu02 58.10(3) Cu0O Cu06 Cu03 105.32(4) Cu0O Cu06 HC 121(2) Cu0O Cu06 HD 56(2) Cu0O Cu06 HH 150(3) S010 Cu06 Cu01 157.51(6) S010 Cu06 Cu02 101.44(5) S010 Cu06 Cu03 102.96(5) S010 Cu06 Cu05 135.55(6) S010 Cu06 Cu09 135.02(6) S010 Cu06 Cu0L 58.32(5) S010 Cu06 Cu0O 56.46(5) S010 Cu06 HC 117(2) S010 Cu06 HD 112(2) S010 Cu06 HH 118(3) HC Cu06 HD 91(3) HC Cu06 HH 88(4) HD Cu06 HH 124(4) Cu01 Cu07 Cu04 59.02(3) Cu01 Cu07 Cu0A 58.96(3) Cu01 Cu07 Cu0F 114.50(4) Cu01 Cu07 Cu0H 116.33(4) Cu01 Cu07 HA 87.3(19) Cu01 Cu07 HB 56(3) Cu01 Cu07 HG 61(3) Cu03 Cu07 Cu01 61.68(3) Cu03 Cu07 Cu04 57.34(3) Cu03 Cu07 Cu08 93.07(4) Cu03 Cu07 Cu0A 110.90(4) Cu03 Cu07 Cu0F 164.02(5) Cu03 Cu07 Cu0H 97.86(4) Cu03 Cu07 HA 45.5(19) Cu03 Cu07 HB 116(3) Cu03 Cu07 HG 51.1(16) Cu04 Cu07 Cu0A 63.63(3) Cu04 Cu07 Cu0F 106.91(4) Cu04 Cu07 Cu0H 154.72(5) Cu04 Cu07 HA 38.3(19) Cu04 Cu07 HB 99(3) Cu04 Cu07 HG 101(3) Cu08 Cu07 Cu01 60.31(3) Cu08 Cu07 Cu04 119.32(4) Cu08 Cu07 Cu0A 86.37(4) Cu08 Cu07 Cu0F 97.99(4) Cu08 Cu07 Cu0H 61.92(3) Cu08 Cu07 HA 137.8(19) Cu08 Cu07 HB 45(3) Cu08 Cu07 HG 46.2(7) Cu0A Cu07 HA 100.0(19) Cu0A Cu07 HB 43(3) Cu0A Cu07 HG 117(2) Cu0F Cu07 Cu0A 58.68(3) Cu0F Cu07 Cu0H 97.52(4) Cu0F Cu07 HA 121.1(19) Cu0F Cu07 HB 66(3) Cu0F Cu07 HG 142.9(11) Cu0H Cu07 Cu0A 138.36(5) Cu0H Cu07 HA 121.6(19) Cu0H Cu07 HB 97(3) Cu0H Cu07 HG 60(3) S0S Cu07 Cu01 159.08(6) S0S Cu07 Cu03 134.55(6) S0S Cu07 Cu04 137.70(6) S0S Cu07 Cu08 101.72(5) S0S Cu07 Cu0A 112.72(5) S0S Cu07 Cu0F 54.05(4) S0S Cu07 Cu0H 55.18(4) S0S Cu07 HA 113.6(19) S0S Cu07 HB 104(3) S0S Cu07 HG 115(3) HA Cu07 HB 137(4) HA Cu07 HG 96(2) HB Cu07 HG 87(3) Cu01 Cu08 Cu0B 59.57(3) Cu01 Cu08 Cu0D 57.53(3) Cu01 Cu08 Cu0H 115.66(4) Cu01 Cu08 Cu0P 108.29(4) Cu01 Cu08 HB 58(4) Cu01 Cu08 HF 86(2) Cu01 Cu08 HG 61(3) Cu02 Cu08 Cu01 61.80(3) Cu02 Cu08 Cu07 89.18(4) Cu02 Cu08 Cu0B 58.48(3) Cu02 Cu08 Cu0D 108.27(4) Cu02 Cu08 Cu0H 93.48(4) Cu02 Cu08 Cu0P 166.63(5) Cu02 Cu08 HB 118(4) Cu02 Cu08 HF 54(2) Cu02 Cu08 HG 49(3) Cu07 Cu08 Cu01 60.24(3) Cu07 Cu08 Cu0B 119.62(4) Cu07 Cu08 Cu0D 91.51(4) Cu07 Cu08 Cu0H 61.22(3) Cu07 Cu08 Cu0P 93.22(4) Cu07 Cu08 HB 51(4) Cu07 Cu08 HF 140(2) Cu07 Cu08 HG 44(3) Cu0B Cu08 Cu0D 59.91(3) Cu0B Cu08 Cu0H 151.16(5) Cu0B Cu08 HB 98(4) Cu0B Cu08 HF 31(2) Cu0B Cu08 HG 100(3) Cu0D Cu08 HB 44(4) Cu0D Cu08 HF 87(2) Cu0D Cu08 HG 117(3) Cu0H Cu08 Cu0D 145.20(4) Cu0H Cu08 HB 102(4) Cu0H Cu08 HF 128(2) Cu0H Cu08 HG 59(3) Cu0P Cu08 Cu0B 109.32(4) Cu0P Cu08 Cu0D 58.56(3) Cu0P Cu08 Cu0H 99.20(4) Cu0P Cu08 HB 55(4) Cu0P Cu08 HF 120(2) Cu0P Cu08 HG 137(3) S0X Cu08 Cu01 154.65(6) S0X Cu08 Cu02 135.89(6) S0X Cu08 Cu07 98.01(5) S0X Cu08 Cu0B 141.44(6) S0X Cu08 Cu0D 114.93(6) S0X Cu08 Cu0H 54.61(5) S0X Cu08 Cu0P 56.73(5) S0X Cu08 HB 99(4) S0X Cu08 HF 119(2) S0X Cu08 HG 114(3) HB Cu08 HF 128(4) HB Cu08 HG 90(5) HF Cu08 HG 102(4) Cu01 Cu09 Cu0C 57.50(3) Cu01 Cu09 Cu0I 107.99(4) Cu01 Cu09 Cu0N 116.67(4) Cu01 Cu09 HC 89(3) Cu01 Cu09 HD 61.9(19) Cu01 Cu09 HE 58(4) Cu05 Cu09 Cu01 60.66(3) Cu05 Cu09 Cu0B 120.42(4) Cu05 Cu09 Cu0C 61.16(3) Cu05 Cu09 Cu0I 112.63(4) Cu05 Cu09 Cu0N 151.06(5) Cu05 Cu09 HC 40(3) Cu05 Cu09 HD 97(2) Cu05 Cu09 HE 98(2) Cu06 Cu09 Cu01 61.78(3) Cu06 Cu09 Cu05 58.61(3) Cu06 Cu09 Cu0B 88.71(4) Cu06 Cu09 Cu0C 108.65(4) Cu06 Cu09 Cu0I 168.48(5) Cu06 Cu09 Cu0N 93.84(4) Cu06 Cu09 HC 46(2) Cu06 Cu09 HD 43(2) Cu06 Cu09 HE 118(4) Cu0B Cu09 Cu01 60.02(3) Cu0B Cu09 Cu0C 91.09(4) Cu0B Cu09 Cu0I 90.24(4) Cu0B Cu09 Cu0N 62.22(3) Cu0B Cu09 HC 134(2) Cu0B Cu09 HD 49(2) Cu0B Cu09 HE 52.4(19) Cu0C Cu09 HC 99(3) Cu0C Cu09 HD 119(2) Cu0C Cu09 HE 42.7(7) Cu0I Cu09 Cu0C 59.90(3) Cu0I Cu09 Cu0N 95.81(4) Cu0I Cu09 HC 133(3) Cu0I Cu09 HD 139(2) Cu0I Cu09 HE 53(4) Cu0N Cu09 Cu0C 145.00(5) Cu0N Cu09 HC 115(3) Cu0N Cu09 HD 61.8(19) Cu0N Cu09 HE 103.1(10) S0Z Cu09 Cu01 156.11(6) S0Z Cu09 Cu05 139.14(6) S0Z Cu09 Cu06 135.31(6) S0Z Cu09 Cu0B 99.76(5) S0Z Cu09 Cu0C 114.90(5) S0Z Cu09 Cu0I 56.13(5) S0Z Cu09 Cu0N 54.50(5) S0Z Cu09 HC 115(3) S0Z Cu09 HD 116.2(19) S0Z Cu09 HE 101(4) HC Cu09 HD 88(3) HC Cu09 HE 138(3) HD Cu09 HE 96(4) Cu01 Cu0A Cu04 56.57(3) Cu01 Cu0A Cu07 58.59(3) Cu01 Cu0A Cu0F 115.83(4) Cu01 Cu0A H 87(3) Cu01 Cu0A HB 57(4) Cu01 Cu0A HI 56.9(6) Cu04 Cu0A H 128(3) Cu04 Cu0A HB 97(4) Cu04 Cu0A HI 44(4) Cu07 Cu0A Cu04 56.87(3) Cu07 Cu0A H 135(3) Cu07 Cu0A HB 49(4) Cu07 Cu0A HI 96(3) Cu0C Cu0A Cu01 60.05(3) Cu0C Cu0A Cu04 84.86(4) Cu0C Cu0A Cu07 118.33(4) Cu0C Cu0A Cu0F 167.07(5) Cu0C Cu0A Cu0J 84.42(4) Cu0C Cu0A H 44(3) Cu0C Cu0A HB 100(4) Cu0C Cu0A HI 43(4) Cu0D Cu0A Cu01 60.67(3) Cu0D Cu0A Cu04 117.03(4) Cu0D Cu0A Cu07 94.63(4) Cu0D Cu0A Cu0C 59.54(3) Cu0D Cu0A Cu0F 107.55(4) Cu0D Cu0A Cu0J 143.78(5) Cu0D Cu0A H 41(3) Cu0D Cu0A HB 50(3) Cu0D Cu0A HI 96(3) Cu0F Cu0A Cu04 103.14(4) Cu0F Cu0A Cu07 60.46(3) Cu0F Cu0A H 127(3) Cu0F Cu0A HB 69(4) Cu0F Cu0A HI 147(4) Cu0J Cu0A Cu01 106.14(4) Cu0J Cu0A Cu04 57.88(3) Cu0J Cu0A Cu07 106.66(4) Cu0J Cu0A Cu0F 108.42(4) Cu0J Cu0A H 110(3) Cu0J Cu0A HB 154(4) Cu0J Cu0A HI 53.6(15) S00Q Cu0A Cu01 144.08(6) S00Q Cu0A Cu04 89.74(5) S00Q Cu0A Cu07 94.12(5) S00Q Cu0A Cu0C 135.75(6) S00Q Cu0A Cu0D 152.18(6) S00Q Cu0A Cu0F 55.43(5) S00Q Cu0A Cu0J 56.38(5) S00Q Cu0A H 128(3) S00Q Cu0A HB 124(4) S00Q Cu0A HI 109(2) H Cu0A HB 90(4) H Cu0A HI 86(5) HB Cu0A HI 114(4) Cu01 Cu0B Cu08 59.78(3) Cu01 Cu0B Cu0D 58.43(3) Cu01 Cu0B Cu0G 112.32(4) Cu01 Cu0B Cu0N 116.02(4) Cu01 Cu0B HD 61.7(19) Cu01 Cu0B HE 56(3) Cu01 Cu0B HF 90(3) Cu02 Cu0B Cu01 61.56(3) Cu02 Cu0B Cu08 57.53(3) Cu02 Cu0B Cu09 93.56(4) Cu02 Cu0B Cu0D 109.57(4) Cu02 Cu0B Cu0G 163.88(5) Cu02 Cu0B Cu0N 99.26(4) Cu02 Cu0B HD 50.0(19) Cu02 Cu0B HE 117(3) Cu02 Cu0B HF 53(3) Cu08 Cu0B Cu0D 62.42(3) Cu08 Cu0B Cu0G 106.35(4) Cu08 Cu0B Cu0N 156.31(5) Cu08 Cu0B HD 101.1(19) Cu08 Cu0B HE 98.5(18) Cu08 Cu0B HF 35(3) Cu09 Cu0B Cu01 60.29(3) Cu09 Cu0B Cu08 120.06(4) Cu09 Cu0B Cu0D 86.65(4) Cu09 Cu0B Cu0G 95.62(4) Cu09 Cu0B Cu0N 61.23(3) Cu09 Cu0B HD 48.1(19) Cu09 Cu0B HE 45.2(15) Cu09 Cu0B HF 144(3) Cu0D Cu0B Cu0G 57.93(3) Cu0D Cu0B Cu0N 138.08(4) Cu0D Cu0B HD 117.6(19) Cu0D Cu0B HE 43.6(6) Cu0D Cu0B HF 93(3) Cu0G Cu0B HD 142.7(19) Cu0G Cu0B HE 63(3) Cu0G Cu0B HF 114(3) Cu0N Cu0B Cu0G 96.77(4) Cu0N Cu0B HD 61.1(19) Cu0N Cu0B HE 96.5(10) Cu0N Cu0B HF 129(3) S0Y Cu0B Cu01 155.15(6) S0Y Cu0B Cu02 138.10(6) S0Y Cu0B Cu08 139.08(6) S0Y Cu0B Cu09 98.60(5) S0Y Cu0B Cu0D 111.05(6) S0Y Cu0B Cu0G 53.12(5) S0Y Cu0B Cu0N 54.51(5) S0Y Cu0B HD 115.5(19) S0Y Cu0B HE 100(3) S0Y Cu0B HF 114(3) HD Cu0B HE 89(3) HD Cu0B HF 103(3) HE Cu0B HF 134(3) Cu01 Cu0C Cu05 59.42(3) Cu01 Cu0C Cu09 58.69(3) Cu01 Cu0C Cu0E 116.32(4) Cu01 Cu0C Cu0I 108.29(4) Cu01 Cu0C H 88(3) Cu01 Cu0C HE 58(4) Cu01 Cu0C HI 59.4(13) Cu05 Cu0C Cu09 56.66(3) Cu05 Cu0C H 140(3) Cu05 Cu0C HE 94(3) Cu05 Cu0C HI 49.7(5) Cu09 Cu0C H 128(3) Cu09 Cu0C HE 42.5(19) Cu09 Cu0C HI 99.4(9) Cu0A Cu0C Cu01 61.65(3) Cu0A Cu0C Cu05 96.42(4) Cu0A Cu0C Cu09 120.15(4) Cu0A Cu0C Cu0E 107.97(4) Cu0A Cu0C Cu0I 143.49(5) Cu0A Cu0C H 45(3) Cu0A Cu0C HE 100(2) Cu0A Cu0C HI 51.1(7) Cu0D Cu0C Cu01 61.27(3) Cu0D Cu0C Cu05 120.34(4) Cu0D Cu0C Cu09 87.55(4) Cu0D Cu0C Cu0A 59.66(3) Cu0D Cu0C Cu0E 167.46(5) Cu0D Cu0C Cu0I 84.38(4) Cu0D Cu0C H 41(3) Cu0D Cu0C HE 47.8(6) Cu0D Cu0C HI 103.0(11) Cu0E Cu0C Cu05 60.23(3) Cu0E Cu0C Cu09 101.63(4) Cu0E Cu0C Cu0I 107.62(4) Cu0E Cu0C H 130(3) Cu0E Cu0C HE 143.2(9) Cu0E Cu0C HI 67.4(12) Cu0I Cu0C Cu05 108.06(4) Cu0I Cu0C Cu09 59.07(3) Cu0I Cu0C H 104(3) Cu0I Cu0C HE 52(4) Cu0I Cu0C HI 157.4(6) S00U Cu0C Cu01 146.73(6) S00U Cu0C Cu05 95.36(5) S00U Cu0C Cu09 89.97(5) S00U Cu0C Cu0A 149.22(6) S00U Cu0C Cu0D 134.20(6) S00U Cu0C Cu0E 55.22(5) S00U Cu0C Cu0I 56.00(5) S00U Cu0C H 122(3) S00U Cu0C HE 107(3) S00U Cu0C HI 122.5(11) H Cu0C HE 87(3) H Cu0C HI 95(3) HE Cu0C HI 118(4) Cu01 Cu0D Cu08 58.29(3) Cu01 Cu0D Cu0B 59.02(3) Cu01 Cu0D Cu0G 117.20(4) Cu01 Cu0D Cu0P 108.37(4) Cu01 Cu0D H 91(3) Cu01 Cu0D HB 57(4) Cu01 Cu0D HE 58(4) Cu08 Cu0D H 132(3) Cu08 Cu0D HB 42(3) Cu08 Cu0D HE 100(4) Cu0A Cu0D Cu01 61.88(3) Cu0A Cu0D Cu08 86.93(4) Cu0A Cu0D Cu0B 120.60(4) Cu0A Cu0D Cu0G 163.96(5) Cu0A Cu0D Cu0P 85.87(4) Cu0A Cu0D H 45(3) Cu0A Cu0D HB 47(3) Cu0A Cu0D HE 101(2) Cu0B Cu0D Cu08 57.67(3) Cu0B Cu0D H 138(3) Cu0B Cu0D HB 94(3) Cu0B Cu0D HE 50(2) Cu0C Cu0D Cu01 60.86(3) Cu0C Cu0D Cu08 118.99(4) Cu0C Cu0D Cu0A 60.80(3) Cu0C Cu0D Cu0B 94.34(4) Cu0C Cu0D Cu0G 104.06(4) Cu0C Cu0D Cu0P 146.47(5) Cu0C Cu0D H 44(3) Cu0C Cu0D HB 100(4) Cu0C Cu0D HE 48.0(6) Cu0G Cu0D Cu08 106.33(4) Cu0G Cu0D Cu0B 62.64(3) Cu0G Cu0D H 121(3) Cu0G Cu0D HB 147(3) Cu0G Cu0D HE 68(3) Cu0P Cu0D Cu08 57.88(3) Cu0P Cu0D Cu0B 106.85(4) Cu0P Cu0D Cu0G 108.68(4) Cu0P Cu0D H 110(3) Cu0P Cu0D HB 54(4) Cu0P Cu0D HE 157(3) S00V Cu0D Cu01 148.19(6) S00V Cu0D Cu08 92.30(5) S00V Cu0D Cu0A 134.34(6) S00V Cu0D Cu0B 96.40(6) S00V Cu0D Cu0C 147.72(6) S00V Cu0D Cu0G 55.75(5) S00V Cu0D Cu0P 56.42(5) S00V Cu0D H 120(3) S00V Cu0D HB 110(4) S00V Cu0D HE 123(3) H Cu0D HB 92(4) H Cu0D HE 91(3) HB Cu0D HE 116(6) Cu0C Cu0E Cu05 60.58(3) S0T Cu0E Cu05 54.25(5) S0T Cu0E Cu0C 114.82(5) S0T Cu0E S00U 130.09(7) S00U Cu0E Cu05 94.46(5) S00U Cu0E Cu0C 53.49(4) S011 Cu0E Cu05 127.19(6) S011 Cu0E Cu0C 100.49(6) S011 Cu0E S0T 116.76(7) S011 Cu0E S00U 113.15(7) Cu0A Cu0F Cu07 60.86(3) S00Q Cu0F Cu07 93.69(5) S00Q Cu0F Cu0A 54.33(5) S0S Cu0F Cu07 54.53(5) S0S Cu0F Cu0A 115.40(5) S0S Cu0F S00Q 127.97(7) S14 Cu0F Cu07 127.17(6) S14 Cu0F Cu0A 101.67(5) S14 Cu0F S00Q 116.51(7) S14 Cu0F S0S 115.50(7) Cu0B Cu0G Cu0I 82.81(4) Cu0D Cu0G Cu0B 59.42(3) Cu0D Cu0G Cu0I 78.43(4) S00V Cu0G Cu0B 92.89(5) S00V Cu0G Cu0D 53.85(5) S00V Cu0G Cu0I 125.15(6) S0Y Cu0G Cu0B 52.50(5) S0Y Cu0G Cu0D 111.92(6) S0Y Cu0G Cu0I 92.09(5) S0Y Cu0G S00V 127.40(7) S15 Cu0G Cu0B 133.40(6) S15 Cu0G Cu0D 106.94(6) S15 Cu0G Cu0I 50.72(5) S15 Cu0G S00V 114.93(7) S15 Cu0G S0Y 117.52(7) Cu07 Cu0H Cu08 56.86(3) Cu07 Cu0H Cu0K 81.03(4) Cu08 Cu0H Cu0K 84.44(4) S0S Cu0H Cu07 53.98(4) S0S Cu0H Cu08 96.87(5) S0S Cu0H Cu0K 121.44(6) S0X Cu0H Cu07 93.71(5) S0X Cu0H Cu08 53.19(4) S0X Cu0H Cu0K 129.86(5) S0X Cu0H S0S 92.23(6) S13 Cu0H Cu07 118.23(6) S13 Cu0H Cu08 130.19(6) S13 Cu0H Cu0K 48.63(5) S13 Cu0H S0S 119.68(7) S13 Cu0H S0X 143.76(7) Cu09 Cu0I Cu0C 61.03(3) Cu09 Cu0I Cu0G 91.29(4) Cu0C Cu0I Cu0G 93.12(4) S00U Cu0I Cu09 89.21(5) S00U Cu0I Cu0C 52.60(4) S00U Cu0I Cu0G 139.49(6) S0Z Cu0I Cu09 53.15(5) S0Z Cu0I Cu0C 113.10(6) S0Z Cu0I Cu0G 98.69(5) S0Z Cu0I S00U 113.53(7) S15 Cu0I Cu09 142.08(6) S15 Cu0I Cu0C 118.10(6) S15 Cu0I Cu0G 51.10(5) S15 Cu0I S00U 121.41(7) S15 Cu0I S0Z 120.06(7) Cu0A Cu0J Cu04 65.26(4) S00Q Cu0J Cu04 93.79(5) S00Q Cu0J Cu0A 55.06(5) S00Q Cu0J S00R 118.83(7) S00R Cu0J Cu04 53.85(5) S00R Cu0J Cu0A 118.62(5) S011 Cu0J Cu04 134.74(6) S011 Cu0J Cu0A 118.08(6) S011 Cu0J S00Q 126.32(7) S011 Cu0J S00R 109.77(7) Cu02 Cu0K Cu0H 84.18(4) Cu03 Cu0K Cu02 61.33(3) Cu03 Cu0K Cu0H 88.46(4) S0W Cu0K Cu02 100.05(5) S0W Cu0K Cu03 54.18(4) S0W Cu0K Cu0H 131.01(5) S12 Cu0K Cu02 54.55(5) S12 Cu0K Cu03 102.01(5) S12 Cu0K Cu0H 121.42(6) S12 Cu0K S0W 98.74(7) S13 Cu0K Cu02 128.08(6) S13 Cu0K Cu03 123.97(6) S13 Cu0K Cu0H 48.02(5) S13 Cu0K S0W 125.05(7) S13 Cu0K S12 128.77(7) Cu03 Cu0L Cu0M 84.42(4) Cu06 Cu0L Cu03 61.52(3) Cu06 Cu0L Cu0M 87.92(4) S0W Cu0L Cu03 54.24(5) S0W Cu0L Cu06 101.07(5) S0W Cu0L Cu0M 122.94(6) S0W Cu0L S010 98.70(6) S010 Cu0L Cu03 101.37(6) S010 Cu0L Cu06 54.65(5) S010 Cu0L Cu0M 129.63(5) S17 Cu0L Cu03 128.24(6) S17 Cu0L Cu06 122.12(6) S17 Cu0L Cu0M 47.38(5) S17 Cu0L S0W 131.88(7) S17 Cu0L S010 122.42(7) Cu04 Cu0M Cu0L 83.45(4) Cu05 Cu0M Cu04 56.94(3) Cu05 Cu0M Cu0L 80.54(4) S00R Cu0M Cu04 52.64(5) S00R Cu0M Cu05 92.60(5) S00R Cu0M Cu0L 129.21(6) S00R Cu0M S0T 91.23(6) S0T Cu0M Cu04 96.57(5) S0T Cu0M Cu05 53.51(5) S0T Cu0M Cu0L 121.26(6) S17 Cu0M Cu04 129.43(6) S17 Cu0M Cu05 116.37(6) S17 Cu0M Cu0L 48.23(5) S17 Cu0M S00R 146.49(8) S17 Cu0M S0T 118.98(7) Cu09 Cu0N Cu0B 56.55(3) Cu09 Cu0N Cu0O 83.63(4) Cu0B Cu0N Cu0O 78.30(4) S0Y Cu0N Cu09 93.70(5) S0Y Cu0N Cu0B 52.67(5) S0Y Cu0N Cu0O 119.92(5) S0Z Cu0N Cu09 52.92(5) S0Z Cu0N Cu0B 94.27(5) S0Z Cu0N Cu0O 129.36(6) S0Z Cu0N S0Y 90.73(7) S16 Cu0N Cu09 129.74(6) S16 Cu0N Cu0B 112.68(6) S16 Cu0N Cu0O 47.60(5) S16 Cu0N S0Y 118.53(7) S16 Cu0N S0Z 148.31(7) Cu02 Cu0O Cu06 62.24(3) Cu02 Cu0O Cu0N 89.73(4) Cu06 Cu0O Cu0N 83.67(4) S010 Cu0O Cu02 103.57(5) S010 Cu0O Cu06 54.96(5) S010 Cu0O Cu0N 119.51(5) S010 Cu0O S12 101.29(7) S12 Cu0O Cu02 54.82(5) S12 Cu0O Cu06 102.32(5) S12 Cu0O Cu0N 131.97(6) S16 Cu0O Cu02 121.94(6) S16 Cu0O Cu06 127.11(6) S16 Cu0O Cu0N 46.43(5) S16 Cu0O S010 128.91(7) S16 Cu0O S12 122.71(7) Cu08 Cu0P Cu0D 63.56(3) S00V Cu0P Cu08 94.71(5) S00V Cu0P Cu0D 54.06(5) S00V Cu0P S0X 122.53(7) S0X Cu0P Cu08 54.75(5) S0X Cu0P Cu0D 117.93(6) S14 Cu0P Cu08 134.11(7) S14 Cu0P Cu0D 117.32(6) S14 Cu0P S00V 123.83(7) S14 Cu0P S0X 109.82(7) Cu0A S00Q Cu0F 70.24(5) Cu0A S00Q Cu0J 68.56(5) Cu0F S00Q Cu0J 132.94(8) C02G S00Q Cu0A 106.0(2) C02G S00Q Cu0F 102.7(2) C02G S00Q Cu0J 109.6(2) Cu04 S00R Cu0J 69.08(5) Cu04 S00R Cu0M 73.29(6) Cu0M S00R Cu0J 121.88(7) C02E S00R Cu04 108.0(2) C02E S00R Cu0J 114.5(2) C02E S00R Cu0M 118.5(2) Cu07 S0S Cu0H 70.85(5) Cu0F S0S Cu07 71.42(5) Cu0F S0S Cu0H 121.58(7) C02Q S0S Cu07 105.3(2) C02Q S0S Cu0F 123.6(2) C02Q S0S Cu0H 108.4(2) Cu05 S0T Cu0M 70.43(5) Cu0E S0T Cu05 72.41(6) Cu0E S0T Cu0M 122.21(7) C033 S0T Cu05 109.5(2) C033 S0T Cu0E 122.4(2) C033 S0T Cu0M 111.0(2) Cu0C S00U Cu0E 71.29(5) Cu0C S00U Cu0I 71.40(5) Cu0E S00U Cu0I 135.84(7) C02C S00U Cu0C 104.6(2) C02C S00U Cu0E 101.5(2) C02C S00U Cu0I 110.0(2) Cu0D S00V Cu0G 70.40(5) Cu0D S00V Cu0P 69.52(6) Cu0G S00V Cu0P 133.80(8) C02B S00V Cu0D 104.0(2) C02B S00V Cu0G 105.4(2) C02B S00V Cu0P 105.7(2) Cu03 S0W Cu0K 67.94(5) Cu03 S0W Cu0L 69.68(5) Cu0L S0W Cu0K 125.23(7) C034 S0W Cu03 109.3(2) C034 S0W Cu0K 119.7(2) C034 S0W Cu0L 105.9(2) Cu08 S0X Cu0H 72.20(6) Cu08 S0X Cu0P 68.51(5) Cu0H S0X Cu0P 120.58(7) C03E S0X Cu08 106.9(2) C03E S0X Cu0H 125.3(2) C03E S0X Cu0P 108.0(2) Cu0B S0Y Cu0G 74.38(6) Cu0B S0Y Cu0N 72.82(6) Cu0G S0Y Cu0N 125.39(8) C036 S0Y Cu0B 110.2(2) C036 S0Y Cu0G 120.1(2) C036 S0Y Cu0N 111.7(2) Cu09 S0Z Cu0I 70.72(5) Cu09 S0Z Cu0N 72.59(5) Cu0N S0Z Cu0I 117.86(7) C02P S0Z Cu09 109.4(2) C02P S0Z Cu0I 114.8(2) C02P S0Z Cu0N 124.0(2) Cu06 S010 Cu0L 67.03(5) Cu06 S010 Cu0O 68.58(6) Cu0O S010 Cu0L 122.11(7) C02L S010 Cu06 105.2(2) C02L S010 Cu0L 117.2(2) C02L S010 Cu0O 108.8(2) Cu0E S011 Cu0J 85.90(6) C02F S011 Cu0E 110.9(2) C02F S011 Cu0J 98.6(2) Cu02 S12 Cu0K 69.52(5) Cu02 S12 Cu0O 66.97(5) Cu0K S12 Cu0O 123.29(7) C02U S12 Cu02 106.5(2) C02U S12 Cu0K 109.5(2) C02U S12 Cu0O 116.4(2) Cu0H S13 Cu0K 83.35(6) C02Y S13 Cu0H 105.8(2) C02Y S13 Cu0K 108.8(2) Cu0P S14 Cu0F 86.14(7) C037 S14 Cu0F 107.6(2) C037 S14 Cu0P 104.0(2) Cu0I S15 Cu0G 78.18(6) C03B S15 Cu0G 106.5(2) C03B S15 Cu0I 109.6(2) Cu0N S16 Cu0O 85.97(7) C03I S16 Cu0N 110.9(2) C03I S16 Cu0O 108.0(2) Cu0M S17 Cu0L 84.39(7) C04Z S17 Cu0L 114.2(2) C04Z S17 Cu0M 109.4(3) C035 P01H C03Y 107.3(3) C04B P01H C035 111.1(3) C04B P01H C03Y 109.6(3) C04K P01H C035 113.5(3) C04K P01H C03Y 107.2(3) C04K P01H C04B 108.0(4) C03X P01M C068 110.2(4) C04Y P01M C03X 110.1(4) C04Y P01M C068 110.7(4) C05H P01M C03X 109.3(4) C05H P01M C04Y 109.5(4) C05H P01M C068 106.9(4) C04O P01P C05I 108.0(4) C04O P01P C05N 110.7(4) C04O P01P C064 111.6(4) C05I P01P C064 110.2(4) C05N P01P C05I 110.0(4) C05N P01P C064 106.4(4) C02H C02B S00V 121.7(5) C02H C02B C02I 117.3(6) C02I C02B S00V 120.9(5) C02D C02C S00U 121.7(5) C02D C02C C03U 118.2(6) C03U C02C S00U 120.1(5) C02C C02D H02D 119.3 C031 C02D C02C 121.4(6) C031 C02D H02D 119.3 C03H C02E S00R 122.7(5) C03J C02E S00R 119.8(5) C03J C02E C03H 117.5(6) C04A C02F S011 122.5(5) C04A C02F C04N 115.5(7) C04N C02F S011 122.0(6) C02J C02G S00Q 122.5(5) C02T C02G S00Q 120.4(5) C02T C02G C02J 117.1(6) C02B C02H H02H 118.7 C03C C02H C02B 122.7(6) C03C C02H H02H 118.7 C02B C02I Cl1F 121.2(6) C02B C02I C032 121.0(7) C032 C02I Cl1F 117.8(5) C02G C02J H02J 119.1 C02M C02J C02G 121.8(6) C02M C02J H02J 119.1 C02P C02K Cl1A 121.0(5) C046 C02K Cl1A 117.9(5) C046 C02K C02P 121.1(7) C02V C02L S010 121.8(5) C03A C02L S010 121.5(5) C03A C02L C02V 116.6(6) C02J C02M H02M 120.3 C044 C02M C02J 119.3(7) C044 C02M H02M 120.3 C02X C02N Cl1L 119.1(5) C02X C02N C030 121.7(6) C030 C02N Cl1L 119.2(6) C02Q C02O H02O 118.6 C030 C02O H02O 118.6 C030 C02O C02Q 122.8(6) C02K C02P S0Z 120.2(5) C02S C02P S0Z 122.4(5) C02S C02P C02K 117.4(6) C02O C02Q S0S 121.8(5) C02O C02Q C02R 115.7(6) C02R C02Q S0S 122.2(5) C02Q C02R Cl19 120.5(5) C02X C02R Cl19 117.4(5) C02X C02R C02Q 122.1(6) C02P C02S H02S 118.7 C02P C02S C03F 122.6(7) C03F C02S H02S 118.7 C02G C02T Cl1C 120.8(6) C02Z C02T Cl1C 117.5(5) C02Z C02T C02G 121.7(6) C03L C02U S12 123.5(5) C03L C02U C05R 115.7(7) C05R C02U S12 120.7(6) C02L C02V H02V 118.7 C03M C02V C02L 122.5(7) C03M C02V H02V 118.7 C03M C02W Cl1V 117.7(6) C04W C02W Cl1V 121.1(6) C04W C02W C03M 121.2(7) C02N C02X C02R 118.5(6) C02N C02X H02X 120.7 C02R C02X H02X 120.7 C03P C02Y S13 119.7(6) C04Q C02Y S13 123.2(6) C04Q C02Y C03P 117.1(7) C02T C02Z H02Z 120.3 C044 C02Z C02T 119.4(6) C044 C02Z H02Z 120.3 C02N C030 C02O 119.1(7) C02N C030 H030 120.4 C02O C030 H030 120.4 C02D C031 H031 120.5 C03S C031 C02D 119.1(7) C03S C031 H031 120.5 C02I C032 H032 120.7 C03N C032 C02I 118.6(7) C03N C032 H032 120.7 C03G C033 S0T 121.9(5) C03G C033 C04C 116.6(6) C04C C033 S0T 121.1(5) C03R C034 S0W 122.4(5) C03W C034 S0W 120.8(6) C03W C034 C03R 116.7(6) C03K C035 P01H 122.4(6) C043 C035 P01H 118.9(5) C043 C035 C03K 118.8(7) C03D C036 S0Y 122.0(5) C04H C036 S0Y 120.6(5) C04H C036 C03D 117.3(6) C03Z C037 S14 123.7(5) C04L C037 S14 119.3(5) C04L C037 C03Z 116.9(6) C03B C038 H038 118.6 C03T C038 H038 118.6 C03T C038 C03B 122.8(7) C03E C039 H039 119.5 C05D C039 H039 119.5 C05D C039 C03E 121.1(7) C02L C03A Cl1J 120.5(5) C02L C03A C04W 121.8(7) C04W C03A Cl1J 117.7(6) C038 C03B S15 123.7(5) C038 C03B C04E 115.2(6) C04E C03B S15 121.1(5) C02H C03C H03C 120.8 C02H C03C C03N 118.5(7) C03N C03C H03C 120.8 C036 C03D H03D 119.3 C03Q C03D C036 121.4(7) C03Q C03D H03D 119.3 C039 C03E S0X 120.7(5) C04R C03E S0X 120.6(5) C04R C03E C039 118.4(7) C02S C03F H03F 121.1 C02S C03F C04J 117.7(7) C04J C03F H03F 121.1 C033 C03G Cl1K 120.3(5) C053 C03G Cl1K 116.4(6) C053 C03G C033 123.3(7) C02E C03H H03H 119.3 C04T C03H C02E 121.5(7) C04T C03H H03H 119.3 C03O C03I S16 120.9(6) C047 C03I S16 121.8(5) C047 C03I C03O 117.2(6) C02E C03J Cl1B 120.1(5) C02E C03J C04P 121.8(7) C04P C03J Cl1B 118.2(6) C035 C03K H03K 120.3 C03V C03K C035 119.5(8) C03V C03K H03K 120.3 C02U C03L H03L 118.1 C05U C03L C02U 123.9(8) C05U C03L H03L 118.0 C02V C03M C02W 118.6(7) C02V C03M H03M 120.7 C02W C03M H03M 120.7 C032 C03N Cl1U 120.3(6) C032 C03N C03C 121.9(7) C03C C03N Cl1U 117.7(6) C03I C03O H03O 119.0 C04F C03O C03I 122.0(7) C04F C03O H03O 119.0 C02Y C03P H03P 119.1 C058 C03P C02Y 121.8(8) C058 C03P H03P 119.1 C03D C03Q H03Q 120.0 C03D C03Q C041 120.0(7) C041 C03Q H03Q 120.0 C034 C03R H03R 118.9 C05A C03R C034 122.1(7) C05A C03R H03R 118.9 C031 C03S Cl1S 119.4(6) C031 C03S C040 121.1(7) C040 C03S Cl1S 119.5(6) C038 C03T H03T 120.1 C05O C03T C038 119.9(7) C05O C03T H03T 120.1 C02C C03U Cl1D 121.4(5) C040 C03U Cl1D 117.6(5) C040 C03U C02C 120.9(7) C03K C03V H03V 119.8 C04M C03V C03K 120.4(7) C04M C03V H03V 119.8 C034 C03W Cl1O 121.0(6) C034 C03W C04U 120.7(7) C04U C03W Cl1O 118.3(6) C057 C03X P01M 120.8(6) C057 C03X C06E 119.7(8) C06E C03X P01M 119.5(6) C04D C03Y P01H 120.2(6) C04D C03Y C05S 119.5(7) C05S C03Y P01H 120.3(5) C037 C03Z Cl1G 121.6(5) C037 C03Z C054 121.7(7) C054 C03Z Cl1G 116.7(6) C03S C040 H040 120.4 C03U C040 C03S 119.2(7) C03U C040 H040 120.4 C03Q C041 Cl1N 120.3(6) C050 C041 Cl1N 119.4(6) C050 C041 C03Q 120.3(7) C04B C042 H042 120.3 C04G C042 H042 120.3 C04G C042 C04B 119.4(7) C035 C043 H043 119.5 C055 C043 C035 121.1(7) C055 C043 H043 119.5 C02M C044 Cl1X 120.0(6) C02Z C044 Cl1X 119.4(6) C02Z C044 C02M 120.6(6) C049 C045 H045 120.3 C04K C045 H045 120.3 C04K C045 C049 119.4(8) C02K C046 H046 120.1 C04J C046 C02K 119.9(7) C04J C046 H046 120.1 C03I C047 Cl1E 121.5(5) C03I C047 C048 122.1(7) C048 C047 Cl1E 116.5(6) C047 C048 H048 120.9 C05E C048 C047 118.2(7) C05E C048 H048 120.9 C045 C049 H049 119.7 C05K C049 C045 120.6(8) C05K C049 H049 119.7 C02F C04A Cl1R 119.0(5) C04X C04A Cl1R 117.5(6) C04X C04A C02F 123.5(7) C042 C04B P01H 119.7(6) C04S C04B P01H 121.0(5) C04S C04B C042 119.2(7) C033 C04C H04C 118.7 C05L C04C C033 122.6(7) C05L C04C H04C 118.7 C03Y C04D H04D 120.1 C05X C04D C03Y 119.7(7) C05X C04D H04D 120.1 C03B C04E Cl1Q 120.5(6) C05Y C04E Cl1Q 116.5(5) C05Y C04E C03B 123.0(7) C03O C04F H04F 120.6 C05E C04F C03O 118.9(7) C05E C04F H04F 120.6 C042 C04G H04G 120.1 C052 C04G C042 119.8(7) C052 C04G H04G 120.1 C036 C04H Cl1Y 119.9(6) C036 C04H C050 121.7(7) C050 C04H Cl1Y 118.4(6) C04X C04I Cl21 119.0(7) C04X C04I C051 119.9(7) C051 C04I Cl21 121.1(7) C03F C04J Cl1Z 118.8(6) C046 C04J Cl1Z 120.0(6) C046 C04J C03F 121.2(7) C045 C04K P01H 119.5(6) C045 C04K C05F 119.5(7) C05F C04K P01H 120.2(6) C037 C04L H04L 118.9 C063 C04L C037 122.1(7) C063 C04L H04L 118.9 C03V C04M H04M 119.3 C03V C04M C055 121.4(8) C055 C04M H04M 119.3 C02F C04N H04N 119.3 C051 C04N C02F 121.3(8) C051 C04N H04N 119.4 C067 C04O P01P 119.8(6) C067 C04O C06R 119.2(8) C06R C04O P01P 121.0(6) C03J C04P H04P 120.6 C056 C04P C03J 118.8(8) C056 C04P H04P 120.6 C02Y C04Q Cl1I 121.1(6) C05B C04Q Cl1I 118.1(6) C05B C04Q C02Y 120.8(7) C03E C04R Cl18 121.7(6) C06D C04R Cl18 116.6(6) C06D C04R C03E 121.7(7) C04B C04S H04S 120.2 C05J C04S C04B 119.6(7) C05J C04S H04S 120.2 C03H C04T H04T 120.4 C056 C04T C03H 119.2(8) C056 C04T H04T 120.4 C03W C04U H04U 120.3 C061 C04U C03W 119.4(7) C061 C04U H04U 120.3 C053 C04V Cl23 118.3(7) C053 C04V C05L 123.6(7) C05L C04V Cl23 118.1(7) C02W C04W C03A 119.3(7) C02W C04W H04W 120.3 C03A C04W H04W 120.3 C04A C04X H04X 120.4 C04I C04X C04A 119.2(7) C04I C04X H04X 120.4 C05T C04Y P01M 120.1(6) C05V C04Y P01M 121.1(6) C05V C04Y C05T 118.7(8) C059 C04Z S17 119.6(6) C05G C04Z S17 123.3(6) C05G C04Z C059 116.9(7) C041 C050 C04H 119.4(7) C041 C050 H050 120.3 C04H C050 H050 120.3 C04I C051 H051 119.7 C04N C051 C04I 120.5(8) C04N C051 H051 119.8 C04G C052 H052 119.1 C04G C052 C05J 121.8(8) C05J C052 H052 119.1 C03G C053 H053 121.7 C04V C053 C03G 116.6(7) C04V C053 H053 121.7 C03Z C054 H054 120.8 C05Q C054 C03Z 118.4(8) C05Q C054 H054 120.8 C043 C055 C04M 118.8(8) C043 C055 H055 120.6 C04M C055 H055 120.6 C04P C056 Cl26 120.1(7) C04T C056 Cl26 118.7(7) C04T C056 C04P 121.2(7) C03X C057 H057 119.5 C066 C057 C03X 121.0(8) C066 C057 H057 119.5 C03P C058 H058 120.7 C060 C058 C03P 118.6(8) C060 C058 H058 120.7 C04Z C059 H059 119.9 C06H C059 C04Z 120.1(8) C06H C059 H059 119.9 C03R C05A H05A 120.4 C061 C05A C03R 119.2(8) C061 C05A H05A 120.4 C04Q C05B H05B 119.9 C060 C05B C04Q 120.3(8) C060 C05B H05B 119.9 C066 C05C H05C 119.4 C06A C05C H05C 119.4 C06A C05C C066 121.3(9) C039 C05D H05D 120.9 C039 C05D C071 118.1(8) C071 C05D H05D 120.9 C048 C05E Cl1W 118.5(6) C04F C05E Cl1W 119.9(6) C04F C05E C048 121.6(7) C04K C05F H05F 120.1 C05W C05F C04K 119.8(8) C05W C05F H05F 120.1 C04Z C05G Cl22 120.3(6) C04Z C05G C06S 122.5(8) C06S C05G Cl22 117.2(6) C05P C05H P01M 121.7(7) C06I C05H P01M 120.0(6) C06I C05H C05P 118.2(8) C065 C05I P01P 120.5(6) C065 C05I C06J 120.4(8) C06J C05I P01P 119.1(6) C04S C05J H05J 119.9 C052 C05J C04S 120.1(8) C052 C05J H05J 119.9 C049 C05K H05K 120.1 C05W C05K C049 119.9(8) C05W C05K H05K 120.1 C04C C05L C04V 117.2(7) C04C C05L H05L 121.4 C04V C05L H05L 121.4 C05X C05M H05M 119.2 C05Z C05M H05M 119.3 C05Z C05M C05X 121.5(7) C06G C05N P01P 120.6(6) C06G C05N C06P 121.2(8) C06P C05N P01P 118.2(7) C03T C05O Cl20 120.0(6) C03T C05O C05Y 119.6(7) C05Y C05O Cl20 120.4(6) C05H C05P H05P 120.3 C05H C05P C06N 119.5(9) C06N C05P H05P 120.3 C054 C05Q Cl25 119.2(7) C054 C05Q C063 122.0(7) C063 C05Q Cl25 118.9(7) C02U C05R Cl1T 121.0(6) C06F C05R Cl1T 115.7(7) C06F C05R C02U 123.3(9) C03Y C05S H05S 120.0 C05Z C05S C03Y 120.0(7) C05Z C05S H05S 120.0 C04Y C05T H05T 119.8 C04Y C05T C06Q 120.5(9) C06Q C05T H05T 119.8 C03L C05U H05U 121.7 C03L C05U C069 116.6(9) C069 C05U H05U 121.7 C04Y C05V H05V 120.6 C06K C05V C04Y 118.9(9) C06K C05V H05V 120.6 C05F C05W H05W 119.7 C05K C05W C05F 120.7(8) C05K C05W H05W 119.7 C04D C05X C05M 119.9(7) C04D C05X H05X 120.1 C05M C05X H05X 120.1 C04E C05Y C05O 119.5(7) C04E C05Y H05Y 120.3 C05O C05Y H05Y 120.3 C05M C05Z C05S 119.4(8) C05M C05Z H05Z 120.3 C05S C05Z H05Z 120.3 C058 C060 Cl24 119.6(7) C058 C060 C05B 121.3(7) C05B C060 Cl24 119.0(7) C04U C061 Cl28 118.3(7) C04U C061 C05A 121.9(8) C05A C061 Cl28 119.9(7) C06M C062 H062 119.1 C06T C062 H062 119.1 C06T C062 C06M 121.9(9) C04L C063 H063 120.6 C05Q C063 C04L 118.9(8) C05Q C063 H063 120.6 C06Y C064 P01P 119.0(8) C072 C064 P01P 120.2(7) C072 C064 C06Y 120.8(9) C05I C065 H065 120.2 C05I C065 C06U 119.6(9) C06U C065 H065 120.2 C057 C066 C05C 119.2(9) C057 C066 H066 120.4 C05C C066 H066 120.4 C04O C067 H067 119.6 C04O C067 C06M 120.8(9) C06M C067 H067 119.6 C06C C068 P01M 119.9(7) C06W C068 P01M 118.3(7) C06W C068 C06C 121.8(8) C05U C069 Cl27 118.2(9) C06F C069 Cl27 118.9(8) C06F C069 C05U 122.9(8) C05C C06A H06A 120.2 C05C C06A C06E 119.5(9) C06E C06A H06A 120.2 C06K C06B H06B 119.9 C06Q C06B H06B 119.9 C06Q C06B C06K 120.2(9) C068 C06C H06C 121.1 C073 C06C C068 117.7(9) C073 C06C H06C 121.1 C04R C06D H06D 120.8 C04R C06D C071 118.5(8) C071 C06D H06D 120.8 C03X C06E C06A 119.2(9) C03X C06E H06E 120.4 C06A C06E H06E 120.4 C05R C06F H06F 121.3 C069 C06F C05R 117.3(8) C069 C06F H06F 121.3 C05N C06G H06G 120.3 C05N C06G C06Z 119.4(9) C06Z C06G H06G 120.3 C059 C06H H06H 119.9 C06X C06H C059 120.2(8) C06X C06H H06H 119.9 C05H C06I H06I 119.0 C06O C06I C05H 122.0(9) C06O C06I H06I 119.0 C05I C06J H06J 120.5 C06V C06J C05I 119.1(8) C06V C06J H06J 120.5 C05V C06K H06K 119.2 C06B C06K C05V 121.5(9) C06B C06K H06K 119.2 C06U C06L H06L 120.0 C06V C06L H06L 120.0 C06V C06L C06U 120.0(9) C062 C06M C067 118.5(9) C062 C06M H06M 120.8 C067 C06M H06M 120.8 C05P C06N H06N 120.0 C070 C06N C05P 120.0(9) C070 C06N H06N 120.0 C06I C06O H06O 120.1 C070 C06O C06I 119.7(9) C070 C06O H06O 120.1 C05N C06P H06P 119.9 C078 C06P C05N 120.2(10) C078 C06P H06P 119.9 C05T C06Q H06Q 119.9 C06B C06Q C05T 120.2(10) C06B C06Q H06Q 119.9 C04O C06R H06R 120.2 C06T C06R C04O 119.7(9) C06T C06R H06R 120.2 C05G C06S H06S 120.5 C06X C06S C05G 119.1(8) C06X C06S H06S 120.5 C062 C06T C06R 119.9(10) C062 C06T H06T 120.0 C06R C06T H06T 120.0 C065 C06U H06U 119.9 C06L C06U C065 120.2(9) C06L C06U H06U 119.9 C06J C06V H06V 119.7 C06L C06V C06J 120.6(9) C06L C06V H06V 119.7 C068 C06W H06W 120.8 C068 C06W C075 118.4(10) C075 C06W H06W 120.8 C06H C06X Cl29 118.9(8) C06S C06X Cl29 119.9(7) C06S C06X C06H 121.1(8) C064 C06Y H06Y 118.6 C074 C06Y C064 122.8(12) C074 C06Y H06Y 118.6 C06G C06Z H06Z 119.7 C079 C06Z C06G 120.5(11) C079 C06Z H06Z 119.7 C06N C070 H070 119.8 C06O C070 C06N 120.4(9) C06O C070 H070 119.8 C05D C071 Cl2A 117.5(7) C06D C071 Cl2A 120.5(7) C06D C071 C05D 122.0(8) C064 C072 H072 120.8 C064 C072 C07B 118.4(12) C07B C072 H072 120.8 C06C C073 H073 119.4 C07A C073 C06C 121.2(10) C07A C073 H073 119.4 C06Y C074 H074 121.0 C06Y C074 C076 117.9(12) C076 C074 H074 121.0 C06W C075 H075 120.9 C07A C075 C06W 118.3(11) C07A C075 H075 120.8 C074 C076 H076 118.4 C074 C076 C07B 123.2(11) C07B C076 H076 118.4 C06P C078 H078 121.3 C06P C078 C079 117.4(10) C079 C078 H078 121.3 C06Z C079 C078 121.2(9) C06Z C079 H079 119.4 C078 C079 H079 119.4 C073 C07A C075 122.5(10) C073 C07A H07A 118.7 C075 C07A H07A 118.8 C072 C07B H07B 121.6 C076 C07B C072 116.7(13) C076 C07B H07B 121.6 H07C C07D H07D 107.4 C07F C07D H07C 108.3 C07F C07D H07D 108.3 C07H C07D H07C 108.3 C07H C07D H07D 108.3 C07H C07D C07F 116.0(19) C07F C07E H07E 123.3 C07G C07E H07E 123.3 C07G C07E C07F 113.4(16) C07D C07F H07F 108.0 C07D C07F H07G 108.0 C07E C07F C07D 117.2(16) C07E C07F H07F 108.0 C07E C07F H07G 108.0 H07F C07F H07G 107.2 C07E C07G H07H 109.5 C07E C07G H07I 109.5 C07E C07G H07J 109.5 H07H C07G H07I 109.5 H07H C07G H07J 109.5 H07I C07G H07J 109.5 C07D C07H H07K 109.4 C07D C07H H07L 109.4 C07D C07H C07I 111(2) H07K C07H H07L 108.0 C07I C07H H07K 109.4 C07I C07H H07L 109.4 C07H C07I H07M 109.5 C07H C07I H07N 109.5 C07H C07I H07O 109.5 H07M C07I H07N 109.5 H07M C07I H07O 109.5 H07N C07I H07O 109.5 H8A C8 H8B 108.5 C10 C8 H8A 110.3 C10 C8 H8B 110.2 C1AA C8 H8A 110.2 C1AA C8 H8B 110.2 C1AA C8 C10 107.5(17) C8 C10 H10A 109.5 C8 C10 H10B 109.6 H10A C10 H10B 108.1 C5 C10 C8 110.6(15) C5 C10 H10A 109.5 C5 C10 H10B 109.6 Cl0A C0AA H0AA 106.7 Cl0A C0AA H0AB 105.9 H0AA C0AA H0AB 106.4 Cl6 C0AA Cl0A 124(2) Cl6 C0AA H0AA 106.6 Cl6 C0AA H0AB 105.9 C10 C5 H5A 113.6 C10 C5 H5B 113.6 C10 C5 H5C 113.5 H5A C5 H5B 105.1 H5A C5 H5C 105.1 H5B C5 H5C 105.1 H7A C7 H7B 107.3 H7A C7 H7C 107.3 H7B C7 H7C 107.3 C11 C7 H7A 111.4 C11 C7 H7B 111.6 C11 C7 H7C 111.6 C8 C1AA H1AA 106.3 C8 C1AA H1AB 106.3 H1AA C1AA H1AB 106.4 C11 C1AA C8 124(2) C11 C1AA H1AA 106.4 C11 C1AA H1AB 106.2 C7 C11 H11A 110.8 C7 C11 H11B 110.9 C1AA C11 C7 104.3(16) C1AA C11 H11A 110.8 C1AA C11 H11B 111.0 H11A C11 H11B 108.9 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Cu01 Cu02 2.6024(11) Cu01 Cu03 2.6117(11) Cu01 Cu04 2.5720(12) Cu01 Cu05 2.6173(11) Cu01 Cu06 2.6113(12) Cu01 Cu07 2.5985(11) Cu01 Cu08 2.6001(11) Cu01 Cu09 2.6017(11) Cu01 Cu0A 2.6085(12) Cu01 Cu0B 2.5947(12) Cu01 Cu0C 2.5682(11) Cu01 Cu0D 2.5785(12) Cu01 HI 2.25(2) Cu02 Cu03 2.6788(12) Cu02 Cu06 2.6890(12) Cu02 Cu08 2.4623(12) Cu02 Cu0B 2.4878(12) Cu02 Cu0K 2.6346(12) Cu02 Cu0O 2.5798(13) Cu02 S12 2.2911(17) Cu02 HD 1.94(6) Cu02 HF 1.99(7) Cu02 HG 1.86(9) Cu03 Cu04 2.4572(11) Cu03 Cu06 2.6856(12) Cu03 Cu07 2.4932(12) Cu03 Cu0K 2.6180(12) Cu03 Cu0L 2.6471(13) Cu03 S0W 2.2906(17) Cu03 HA 1.78(6) Cu03 HG 1.95(5) Cu03 HH 1.90(10) Cu04 Cu05 2.5826(12) Cu04 Cu07 2.6230(12) Cu04 Cu0A 2.8064(13) Cu04 Cu0J 2.6171(12) Cu04 Cu0M 2.7261(13) Cu04 S00R 2.2624(17) Cu04 HA 1.64(6) Cu04 HH 1.87(2) Cu04 HI 1.96(12) Cu05 Cu06 2.4791(12) Cu05 Cu09 2.5813(12) Cu05 Cu0C 2.7068(13) Cu05 Cu0E 2.6973(12) Cu05 Cu0M 2.6913(13) Cu05 S0T 2.2963(17) Cu05 HC 1.68(7) Cu05 HH 1.79(10) Cu05 HI 2.064(16) Cu06 Cu09 2.4806(12) Cu06 Cu0L 2.6036(13) Cu06 Cu0O 2.6228(13) Cu06 S010 2.3065(18) Cu06 HC 1.78(7) Cu06 HD 1.71(7) Cu06 HH 1.93(6) Cu07 Cu08 2.5776(12) Cu07 Cu0A 2.6992(11) Cu07 Cu0F 2.6885(12) Cu07 Cu0H 2.6983(12) Cu07 S0S 2.3101(17) Cu07 HA 1.83(6) Cu07 HB 2.03(12) Cu07 HG 1.78(9) Cu08 Cu0B 2.6228(11) Cu08 Cu0D 2.7512(12) Cu08 Cu0H 2.7160(12) Cu08 Cu0P 2.6022(13) Cu08 S0X 2.2839(17) Cu08 HB 1.83(11) Cu08 HF 1.66(7) Cu08 HG 1.86(2) Cu09 Cu0B 2.5861(12) Cu09 Cu0C 2.7327(12) Cu09 Cu0I 2.6793(13) Cu09 Cu0N 2.7167(13) Cu09 S0Z 2.2713(17) Cu09 HC 1.63(8) Cu09 HD 1.94(6) Cu09 HE 1.85(6) Cu0A Cu0C 2.5219(11) Cu0A Cu0D 2.4932(12) Cu0A Cu0F 2.6399(12) Cu0A Cu0J 2.5876(13) Cu0A S00Q 2.2789(17) Cu0A H 1.77(9) Cu0A HB 1.85(11) Cu0A HI 1.970(16) Cu0B Cu0D 2.6856(13) Cu0B Cu0G 2.7704(13) Cu0B Cu0N 2.7421(13) Cu0B S0Y 2.2823(17) Cu0B HD 1.97(7) Cu0B HE 2.07(7) Cu0B HF 1.47(7) Cu0C Cu0D 2.4902(12) Cu0C Cu0E 2.6691(13) Cu0C Cu0I 2.7022(13) Cu0C S00U 2.2651(16) Cu0C H 1.74(9) Cu0C HE 1.86(2) Cu0C HI 1.74(12) Cu0D Cu0G 2.6434(13) Cu0D Cu0P 2.6214(13) Cu0D S00V 2.2657(18) Cu0D H 1.63(9) Cu0D HB 1.92(11) Cu0D HE 1.85(2) Cu0E S0T 2.2699(18) Cu0E S00U 2.3145(19) Cu0E S011 2.2671(18) Cu0F S00Q 2.3098(17) Cu0F S0S 2.2960(17) Cu0F S14 2.280(2) Cu0G Cu0I 2.8707(14) Cu0G S00V 2.3193(18) Cu0G S0Y 2.3010(18) Cu0G S15 2.2826(18) Cu0H Cu0K 2.9840(15) Cu0H S0S 2.3448(17) Cu0H S0X 2.3255(19) Cu0H S13 2.2332(18) Cu0I S00U 2.3636(18) Cu0I S0Z 2.3568(18) Cu0I S15 2.2703(19) Cu0J S00Q 2.3150(18) Cu0J S00R 2.3518(19) Cu0J S011 2.2748(17) Cu0K S0W 2.3925(19) Cu0K S12 2.3294(18) Cu0K S13 2.2546(18) Cu0L Cu0M 3.0156(14) Cu0L S0W 2.3425(17) Cu0L S010 2.4067(18) Cu0L S17 2.2599(19) Cu0M S00R 2.3046(18) Cu0M S0T 2.3695(18) Cu0M S17 2.230(2) Cu0N Cu0O 3.0537(14) Cu0N S0Y 2.3370(19) Cu0N S0Z 2.3179(18) Cu0N S16 2.2181(19) Cu0O S010 2.3481(19) Cu0O S12 2.3829(17) Cu0O S16 2.2606(19) Cu0P S00V 2.3311(18) Cu0P S0X 2.3383(18) Cu0P S14 2.2664(19) S00Q C02G 1.787(7) S00R C02E 1.771(7) S0S C02Q 1.766(7) S0T C033 1.767(7) S00U C02C 1.792(6) S00V C02B 1.788(7) S0W C034 1.770(7) S0X C03E 1.778(7) S0Y C036 1.770(7) S0Z C02P 1.774(7) S010 C02L 1.783(6) S011 C02F 1.764(7) S12 C02U 1.780(7) S13 C02Y 1.772(7) S14 C037 1.769(7) S15 C03B 1.766(7) S16 C03I 1.772(7) S17 C04Z 1.773(8) Cl18 C04R 1.738(7) Cl19 C02R 1.732(7) Cl1A C02K 1.735(7) Cl1B C03J 1.738(8) Cl1C C02T 1.736(7) Cl1D C03U 1.726(7) Cl1E C047 1.735(7) Cl1F C02I 1.734(8) Cl1G C03Z 1.744(7) P01H C035 1.794(8) P01H C03Y 1.801(7) P01H C04B 1.791(8) P01H C04K 1.786(7) Cl1I C04Q 1.731(8) Cl1J C03A 1.735(8) Cl1K C03G 1.739(7) Cl1L C02N 1.739(7) P01M C03X 1.792(8) P01M C04Y 1.787(8) P01M C05H 1.782(8) P01M C068 1.804(8) Cl1N C041 1.736(7) Cl1O C03W 1.721(8) P01P C04O 1.790(8) P01P C05I 1.802(8) P01P C05N 1.800(8) P01P C064 1.804(9) Cl1Q C04E 1.736(7) Cl1R C04A 1.739(7) Cl1S C03S 1.737(8) Cl1T C05R 1.730(10) Cl1U C03N 1.744(7) Cl1V C02W 1.745(7) Cl1W C05E 1.740(8) Cl1X C044 1.738(7) Cl1Y C04H 1.737(7) Cl1Z C04J 1.731(8) Cl20 C05O 1.742(8) Cl21 C04I 1.740(8) Cl22 C05G 1.727(8) Cl23 C04V 1.757(8) Cl24 C060 1.747(8) Cl25 C05Q 1.757(8) Cl26 C056 1.735(7) Cl27 C069 1.755(9) Cl28 C061 1.736(8) Cl29 C06X 1.757(9) Cl2A C071 1.732(10) C02B C02H 1.391(10) C02B C02I 1.393(9) C02C C02D 1.392(9) C02C C03U 1.394(9) C02D H02D 0.9300 C02D C031 1.386(9) C02E C03H 1.398(9) C02E C03J 1.375(10) C02F C04A 1.386(10) C02F C04N 1.411(10) C02G C02J 1.390(9) C02G C02T 1.388(10) C02H H02H 0.9300 C02H C03C 1.369(10) C02I C032 1.401(10) C02J H02J 0.9300 C02J C02M 1.383(9) C02K C02P 1.402(9) C02K C046 1.383(10) C02L C02V 1.401(9) C02L C03A 1.381(10) C02M H02M 0.9300 C02M C044 1.374(10) C02N C02X 1.367(10) C02N C030 1.374(9) C02O H02O 0.9300 C02O C02Q 1.391(9) C02O C030 1.377(9) C02P C02S 1.381(9) C02Q C02R 1.418(9) C02R C02X 1.392(10) C02S H02S 0.9300 C02S C03F 1.385(10) C02T C02Z 1.386(10) C02U C03L 1.386(11) C02U C05R 1.394(10) C02V H02V 0.9300 C02V C03M 1.375(9) C02W C03M 1.383(11) C02W C04W 1.357(11) C02X H02X 0.9300 C02Y C03P 1.400(10) C02Y C04Q 1.384(10) C02Z H02Z 0.9300 C02Z C044 1.371(10) C030 H030 0.9300 C031 H031 0.9300 C031 C03S 1.376(11) C032 H032 0.9300 C032 C03N 1.373(11) C033 C03G 1.390(9) C033 C04C 1.394(10) C034 C03R 1.412(10) C034 C03W 1.393(10) C035 C03K 1.406(10) C035 C043 1.401(11) C036 C03D 1.392(10) C036 C04H 1.387(9) C037 C03Z 1.390(10) C037 C04L 1.388(10) C038 H038 0.9300 C038 C03B 1.390(10) C038 C03T 1.384(10) C039 H039 0.9300 C039 C03E 1.396(10) C039 C05D 1.374(11) C03A C04W 1.397(10) C03B C04E 1.405(10) C03C H03C 0.9300 C03C C03N 1.376(10) C03D H03D 0.9300 C03D C03Q 1.371(10) C03E C04R 1.378(10) C03F H03F 0.9300 C03F C04J 1.402(11) C03G C053 1.385(10) C03H H03H 0.9300 C03H C04T 1.386(10) C03I C03O 1.389(9) C03I C047 1.384(10) C03J C04P 1.393(10) C03K H03K 0.9300 C03K C03V 1.390(11) C03L H03L 0.9300 C03L C05U 1.376(11) C03M H03M 0.9300 C03O H03O 0.9300 C03O C04F 1.376(10) C03P H03P 0.9300 C03P C058 1.391(11) C03Q H03Q 0.9300 C03Q C041 1.389(11) C03R H03R 0.9300 C03R C05A 1.384(10) C03S C040 1.387(11) C03T H03T 0.9300 C03T C05O 1.370(10) C03U C040 1.387(10) C03V H03V 0.9300 C03V C04M 1.356(11) C03W C04U 1.429(11) C03X C057 1.385(11) C03X C06E 1.388(11) C03Y C04D 1.385(10) C03Y C05S 1.392(11) C03Z C054 1.401(10) C040 H040 0.9300 C041 C050 1.357(11) C042 H042 0.9300 C042 C04B 1.414(10) C042 C04G 1.373(11) C043 H043 0.9300 C043 C055 1.372(11) C045 H045 0.9300 C045 C049 1.385(10) C045 C04K 1.384(11) C046 H046 0.9300 C046 C04J 1.358(11) C047 C048 1.394(10) C048 H048 0.9300 C048 C05E 1.375(11) C049 H049 0.9300 C049 C05K 1.372(11) C04A C04X 1.377(10) C04B C04S 1.395(10) C04C H04C 0.9300 C04C C05L 1.378(10) C04D H04D 0.9300 C04D C05X 1.371(10) C04E C05Y 1.370(10) C04F H04F 0.9300 C04F C05E 1.375(11) C04G H04G 0.9300 C04G C052 1.363(11) C04H C050 1.395(10) C04I C04X 1.360(11) C04I C051 1.384(12) C04K C05F 1.391(11) C04L H04L 0.9300 C04L C063 1.379(10) C04M H04M 0.9300 C04M C055 1.396(11) C04N H04N 0.9300 C04N C051 1.372(12) C04O C067 1.365(11) C04O C06R 1.397(11) C04P H04P 0.9300 C04P C056 1.379(12) C04Q C05B 1.381(11) C04R C06D 1.370(11) C04S H04S 0.9300 C04S C05J 1.371(11) C04T H04T 0.9300 C04T C056 1.363(12) C04U H04U 0.9300 C04U C061 1.350(12) C04V C053 1.372(12) C04V C05L 1.386(12) C04W H04W 0.9300 C04X H04X 0.9300 C04Y C05T 1.393(11) C04Y C05V 1.389(11) C04Z C059 1.414(11) C04Z C05G 1.382(10) C050 H050 0.9300 C051 H051 0.9300 C052 H052 0.9300 C052 C05J 1.365(11) C053 H053 0.9300 C054 H054 0.9300 C054 C05Q 1.361(12) C055 H055 0.9300 C057 H057 0.9300 C057 C066 1.359(11) C058 H058 0.9300 C058 C060 1.356(12) C059 H059 0.9300 C059 C06H 1.390(11) C05A H05A 0.9300 C05A C061 1.367(12) C05B H05B 0.9300 C05B C060 1.364(12) C05C H05C 0.9300 C05C C066 1.382(13) C05C C06A 1.368(14) C05D H05D 0.9300 C05D C071 1.388(13) C05F H05F 0.9300 C05F C05W 1.377(11) C05G C06S 1.391(12) C05H C05P 1.386(11) C05H C06I 1.377(12) C05I C065 1.372(12) C05I C06J 1.390(11) C05J H05J 0.9300 C05K H05K 0.9300 C05K C05W 1.364(11) C05L H05L 0.9300 C05M H05M 0.9300 C05M C05X 1.372(12) C05M C05Z 1.356(12) C05N C06G 1.375(12) C05N C06P 1.391(12) C05O C05Y 1.387(11) C05P H05P 0.9300 C05P C06N 1.411(12) C05Q C063 1.369(12) C05R C06F 1.380(12) C05S H05S 0.9300 C05S C05Z 1.380(11) C05T H05T 0.9300 C05T C06Q 1.398(12) C05U H05U 0.9300 C05U C069 1.395(14) C05V H05V 0.9300 C05V C06K 1.386(13) C05W H05W 0.9300 C05X H05X 0.9300 C05Y H05Y 0.9300 C05Z H05Z 0.9300 C062 H062 0.9300 C062 C06M 1.360(15) C062 C06T 1.359(14) C063 H063 0.9300 C064 C06Y 1.380(13) C064 C072 1.367(14) C065 H065 0.9300 C065 C06U 1.375(12) C066 H066 0.9300 C067 H067 0.9300 C067 C06M 1.396(13) C068 C06C 1.403(12) C068 C06W 1.392(13) C069 C06F 1.367(14) C06A H06A 0.9300 C06A C06E 1.396(13) C06B H06B 0.9300 C06B C06K 1.373(14) C06B C06Q 1.335(14) C06C H06C 0.9300 C06C C073 1.398(12) C06D H06D 0.9300 C06D C071 1.374(13) C06E H06E 0.9300 C06F H06F 0.9300 C06G H06G 0.9300 C06G C06Z 1.375(13) C06H H06H 0.9300 C06H C06X 1.373(13) C06I H06I 0.9300 C06I C06O 1.370(13) C06J H06J 0.9300 C06J C06V 1.373(12) C06K H06K 0.9300 C06L H06L 0.9300 C06L C06U 1.374(13) C06L C06V 1.369(13) C06M H06M 0.9300 C06N H06N 0.9300 C06N C070 1.364(14) C06O H06O 0.9300 C06O C070 1.361(14) C06P H06P 0.9300 C06P C078 1.377(13) C06Q H06Q 0.9300 C06R H06R 0.9300 C06R C06T 1.373(12) C06S H06S 0.9300 C06S C06X 1.351(13) C06T H06T 0.9300 C06U H06U 0.9300 C06V H06V 0.9300 C06W H06W 0.9300 C06W C075 1.419(14) C06Y H06Y 0.9300 C06Y C074 1.320(15) C06Z H06Z 0.9300 C06Z C079 1.353(15) C070 H070 0.9300 C072 H072 0.9300 C072 C07B 1.421(15) C073 H073 0.9300 C073 C07A 1.332(16) C074 H074 0.9300 C074 C076 1.359(19) C075 H075 0.9300 C075 C07A 1.394(17) C076 H076 0.9300 C076 C07B 1.41(2) C078 H078 0.9300 C078 C079 1.434(16) C079 H079 0.9300 C07A H07A 0.9300 C07B H07B 0.9300 C07D H07C 0.9700 C07D H07D 0.9700 C07D C07F 1.51(2) C07D C07H 1.48(3) C07E H07E 0.9300 C07E C07F 1.47(2) C07E C07G 1.39(2) C07F H07F 0.9700 C07F H07G 0.9700 C07G H07H 0.9600 C07G H07I 0.9600 C07G H07J 0.9600 C07H H07K 0.9700 C07H H07L 0.9700 C07H C07I 1.51(3) C07I H07M 0.9600 C07I H07N 0.9600 C07I H07O 0.9600 Cl0A C0AA 1.514(15) C8 H8A 0.9700 C8 H8B 0.9700 C8 C10 1.634(14) C8 C1AA 1.562(19) C10 H10A 0.9700 C10 H10B 0.9700 C10 C5 1.416(18) C0AA H0AA 0.9700 C0AA H0AB 0.9700 C0AA Cl6 1.510(15) C5 H5A 0.9982 C5 H5B 0.9980 C5 H5C 0.9979 C7 H7A 0.9812 C7 H7B 0.9813 C7 H7C 0.9813 C7 C11 1.529(18) C1AA H1AA 0.9700 C1AA H1AB 0.9700 C1AA C11 1.491(18) C11 H11A 0.9700 C11 H11B 0.9700 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_scale_group_code 0 0 -3 8385.68 272.22 1 0 0 -3 7597.42 347.005 2 0 0 -4 16595 590.361 2 0 0 -4 18459.1 467.518 1 0 0 -5 12020 561.206 2 0 0 -5 12915.5 436.842 1 0 0 -6 2459.5 226.488 1 0 0 -6 2014.22 280.288 2 0 0 -7 42314.7 945.657 1 0 0 -7 39390 1191.19 2 0 0 -8 28025.5 828.974 1 0 0 -8 26687.9 1064.91 2 0 0 -9 184024 2927.25 2 0 0 -9 191033 2282.48 1 0 0 -10 223754 2610.94 1 0 0 -10 215474 3388.65 2 0 0 -11 27381.8 950.306 1 0 0 -11 26243.1 1253.05 2 0 0 -12 16152.4 1047.3 2 0 0 -12 15473.5 742.324 1 0 0 -13 25434.3 1366.96 2 0 0 -13 21704 908.705 1 0 0 -14 1726.97 305.728 1 0 0 -14 2755.22 558.058 2 0 0 -15 4797.15 680.597 2 0 0 -16 33597.2 1824.32 2 0 0 -17 50294.5 2294.01 2 0 0 -18 22857.7 1763.22 10 0 0 -18 20516 1671.17 5 0 0 -18 22326.6 1616.84 2 0 0 -18 21571.7 1712.34 14 0 0 -19 16805.1 1589.61 5 0 0 -19 16046.9 1446.25 2 0 0 -19 18706.7 1663.32 14 0 0 -19 17316.2 1600.31 10 0 0 -20 28530.5 2090.2 14 0 0 -20 26343.6 1900.25 2 0 0 -20 26519.8 2028.8 10 0 0 -20 28083 2108.68 5 0 0 -21 5679 948.559 5 0 0 -21 6010.63 1056.2 14 0 0 -21 4850.18 946.549 10 0 0 -21 4928.23 870.561 2 0 0 -22 308.578 360.409 5 0 0 -22 283.822 321.429 2 0 0 -22 -3.21248 372.687 14 0 0 -23 878.861 546.806 5 0 0 -23 300.264 402.825 2 0 0 -23 837.691 536.044 14 0 0 -24 402.615 496.2 14 0 0 -24 247.012 359.219 5 0 0 -24 235.476 376.554 2 0 0 -25 137.277 393.342 5 0 0 -25 446.858 423.697 14 0 0 -26 45975.5 3018.84 5 0 0 -26 48313.7 3069.21 14 0 0 -27 2476.54 776.807 14 0 0 -27 2059 731.587 5 0 0 -28 682.331 548.56 5 0 0 -28 708.543 497.934 14 0 0 -29 14557.3 1717.58 5 0 0 -29 16716.9 1826.71 14 0 0 -30 4502.59 943.173 14 0 0 -30 3297.76 735.823 5 0 0 -31 16652.1 1799.96 5 0 0 -31 19699.2 1983.74 14 0 0 -32 209.702 370.788 14 0 0 -32 -491.541 598.33 5 0 0 -33 3649.86 829.039 14 0 0 -33 2299.74 637.091 5 0 0 -34 2095.16 586.828 14 0 0 -34 1297.84 521.367 5 0 0 -35 187.25 221.681 14 0 0 -35 386.487 348.479 5 0 0 -36 4176.63 737.653 14 0 1 -36 755.695 320.376 14 0 1 -36 603.969 350.738 5 0 1 -35 1306.19 423.226 14 0 1 -35 2477.95 660.037 5 0 1 -34 2057.97 568.593 14 0 1 -34 1916.73 612.721 5 0 1 -33 671.017 347.734 5 0 1 -33 2076.67 669.989 14 0 1 -32 -129.07 394.933 14 0 1 -32 42.598 568.816 5 0 1 -31 3362.26 869.35 5 0 1 -31 4228.84 973.462 14 0 1 -30 8224.29 1281.99 14 0 1 -30 5121.99 1035.94 5 0 1 -29 1064.15 599.268 14 0 1 -29 -1110.09 887.789 5 0 1 -28 -683.819 740.475 5 0 1 -28 225.981 496.589 14 0 1 -27 20617.7 2017.06 5 0 1 -27 22267.4 2113.14 14 0 1 -26 282.805 509.973 5 0 1 -26 1567.47 714.692 14 0 1 -25 35540.4 2581.44 5 0 1 -25 29967.5 2461.59 2 0 1 -25 37053.7 2632.66 14 0 1 -24 18737.2 1843.53 14 0 1 -24 15751 1768.89 2 0 1 -24 17222.3 1760.12 5 0 1 -23 20969.5 1921.52 14 0 1 -23 17727.5 1752.17 2 0 1 -23 20531.9 1878.46 5 0 1 -22 3034.7 751.977 2 0 1 -22 2963.38 725.187 5 0 1 -22 3204.86 735.285 14 0 1 -21 3866.59 811.178 2 0 1 -21 4233.29 853.84 14 0 1 -21 4502.82 898.401 5 0 1 -20 1500.93 489.875 5 0 1 -20 661.592 235.44 7 0 1 -20 1784.22 534.978 14 0 1 -20 1229.52 439.631 2 0 1 -19 15870.4 1521.97 10 0 1 -19 15626.1 1489.87 5 0 1 -19 15559.6 1488.6 14 0 1 -19 13981.5 1343.17 2 0 1 -19 12974.8 1224.62 7 0 1 -18 111655 3510.66 2 0 1 -18 112906 3834.85 14 0 1 -18 104202 3717.01 10 0 1 -17 4435.42 726.228 2 0 1 -16 16787.5 1273.09 2 0 1 -15 5932.59 699.887 2 0 1 -14 47828.3 1922.18 2 0 1 -14 38049.8 1038.59 1 0 1 -13 56365.8 1254.55 1 0 1 -13 66470.4 2134.49 2 0 1 -12 4183.99 540.555 2 0 1 -12 3235.22 300.918 1 0 1 -11 73065.3 2018.47 2 0 1 -11 70532 1309.38 1 0 1 -10 63806.5 1772.97 2 0 1 -10 59866.9 1141.08 1 0 1 -9 62663.1 1639.48 2 0 1 -9 61731.5 1078.79 1 0 1 -8 4699.95 458.184 2 0 1 -8 5419.67 313.805 1 0 1 -7 46520.1 828.973 1 0 1 -7 45945.2 728.225 3 0 1 -6 113570 1109.39 3 0 1 -6 99947.8 1648.52 2 0 1 -5 7246.47 259.896 3 0 1 -5 7127.09 399.699 2 0 1 -4 34278 750.7 2 0 1 -4 34589.4 539.944 3 0 1 -3 48298.5 633.406 3 0 1 -3 50364.6 776.571 2 0 -1 -2 367380 2543.2 2 0 -1 -2 384980 2552.02 1 0 -1 -3 30840.6 786.127 1 0 -1 -3 28650.3 797.269 2 0 -1 -4 33108.8 874.431 1 0 -1 -4 29737.5 919.081 2 0 -1 -5 1837.46 278.644 2 0 -1 -5 1518.25 236.351 1 0 -1 -6 48155.7 1313.65 2 0 -1 -6 51386.7 1207.16 1 0 -1 -7 30404.4 977.745 1 0 -1 -7 27614.1 1082.16 2 0 -1 -8 50584.1 1318.61 1 0 -1 -8 47924.3 1504.53 2 0 -1 -9 3204.82 452.709 2 0 -1 -9 2926.16 341.885 1 0 -1 -10 6143.2 610.912 2 0 -1 -10 6612.17 539.239 1 0 -1 -11 23470.6 1018.21 1 0 -1 -11 24086.5 1255.18 2 0 -1 -12 1410.64 385.941 2 0 -1 -12 1551.51 282.214 1 0 -1 -13 13892.6 1055.75 2 0 -1 -13 12696.6 799.151 1 0 -1 -14 14300.2 862.994 1 0 -1 -14 16053.9 1185.11 2 0 -1 -15 53442.3 1659.32 1 0 -1 -15 64525 2440.61 2 0 -1 -16 1135.16 447.874 2 0 -1 -17 23097.8 1751.49 10 0 -1 -17 21470.9 1584.21 2 0 -1 -18 5036.43 874.636 14 0 -1 -18 4390.61 747.373 2 0 -1 -18 4475.96 812.77 5 0 -1 -18 4303.74 779.613 10 0 -1 -19 57145.7 2726.34 2 0 -1 -19 57215.5 2924.15 5 0 -1 -19 58709.2 2984.27 10 0 -1 -19 60617.4 3021.59 14 0 -1 -20 26937 2096.57 10 0 -1 -20 27715 2147.26 5 0 -1 -20 26361.3 1960.11 2 0 -1 -20 30145.2 2212.01 14 0 -1 -21 40615.5 2629.07 14 0 -1 -21 41166.1 2633.76 5 0 -1 -21 37971.7 2535.3 10 0 -1 -21 35144.1 2337.46 2 0 -1 -22 2121.85 703.224 10 0 -1 -22 2097.55 627.867 2 0 -1 -22 2974.61 775.805 5 0 -1 -22 2175.34 674.115 14 0 -1 -23 1279.71 595.267 10 0 -1 -23 951.649 561.557 5 0 -1 -23 537.052 360.17 14 0 -1 -24 562.076 477.039 14 0 -1 -24 144.114 401.917 5 0 -1 -25 266.57 479.665 14 0 -1 -25 387.496 489.539 5 0 -1 -26 20505.6 2039.53 14 0 -1 -26 18972 1970.71 5 0 -1 -27 19610.6 2022.04 5 0 -1 -27 21720.3 2129.15 14 0 -1 -28 5105.1 1064.51 14 0 -1 -28 3100.41 783.09 5 0 -1 -29 14806.7 1756.1 5 0 -1 -29 15791.5 1843.53 14 0 -1 -30 16308.2 1809.4 5 0 -1 -30 19893.3 2008.47 14 0 -1 -31 12461.7 1550.66 14 0 -1 -31 9235.37 1316.63 5 0 -1 -32 39.1533 327.511 14 0 -1 -32 -1068.94 651.396 5 0 -1 -33 4689.18 899.125 14 0 -1 -33 3061.43 760.331 5 0 -1 -34 2852.46 675.883 5 0 -1 -34 4120.64 829.382 14 0 -1 -35 1916.1 529.203 14 0 -1 -35 261.748 281.715 5 0 2 -37 4205.69 714.622 14 0 2 -36 -1809.21 759.575 5 0 2 -36 407.725 322.837 14 0 2 -35 3542.86 909.049 5 0 2 -35 354.494 305.378 14 0 2 -34 2917.95 773.484 5 0 2 -34 2270.07 681.482 14 0 2 -33 -225.38 425.672 14 0 2 -33 309.94 324.433 5 0 2 -32 7899.34 1216.6 14 0 2 -32 6204.84 1102.99 5 0 2 -31 831.841 411.524 5 0 2 -31 916.46 566.707 14 0 2 -30 61563.5 3526.03 5 0 2 -30 70773.6 3675.85 14 0 2 -29 2408.91 823.712 14 0 2 -29 836.189 422.934 5 0 2 -28 9739.97 1445.28 5 0 2 -28 12658.3 1615.98 14 0 2 -27 33485.1 2511.74 14 0 2 -27 28160.5 2349.89 5 0 2 -26 1666.17 694.635 2 0 2 -26 1635.4 630.026 14 0 2 -26 1114.7 493.108 5 0 2 -25 13294.8 1575.14 14 0 2 -25 10855.1 1484.13 2 0 2 -25 11110.5 1430.77 5 0 2 -24 45.8371 387.336 2 0 2 -24 -407.105 529.335 5 0 2 -24 491.392 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606.859 5 -7 -11 -20 2277.11 601.014 10 -7 -11 -20 1598.95 562.79 5 -7 -11 -21 2689.05 590.512 10 -7 -11 -21 3656.97 725.219 5 7 12 -31 -102.741 238.626 15 7 12 -30 -117.761 338.476 15 7 12 -29 4610.37 881.28 15 7 12 -29 2041.13 530.626 7 7 12 -28 297.969 216.584 14 7 12 -28 94.0142 241.654 7 7 12 -28 469.806 364.406 15 7 12 -27 1659.81 535.041 14 7 12 -27 1836.92 552.2 7 7 12 -27 1928.15 677.586 15 7 12 -26 4913.46 884.559 14 7 12 -26 6944.25 1070.53 7 7 12 -26 5896.74 1106.73 15 7 12 -25 698.609 385.091 14 7 12 -25 810.671 474.445 7 7 12 -24 417.908 239 14 7 12 -24 547.111 431.456 7 7 12 -24 625.607 499.867 15 7 12 -23 3577.92 842.604 7 7 12 -23 4741.51 1042.85 15 7 12 -22 15430 1703.63 7 7 12 -22 15915.8 1853.6 15 7 12 -21 5933.62 1101.1 7 7 12 -21 5156.6 1145.89 15 7 12 -20 20400.1 1996.43 7 7 12 -19 7289.19 1410.84 6 7 12 -19 7064.33 1230.12 7 7 12 -18 5614.77 1243.88 6 7 12 -18 5652.47 1114.33 7 7 12 -17 1627.9 704.636 6 7 12 -17 1449.13 650.657 7 7 12 -16 603.93 529.098 7 7 12 -16 837.436 568.809 6 7 12 -15 20109.2 2284.72 6 7 12 -14 2557.51 749.369 8 7 12 -14 3870.23 1110 6 7 12 -13 -189.836 338.765 8 7 12 -13 19.2172 486.555 6 7 12 -12 360.754 521.195 6 7 12 -12 1437.48 713.43 8 7 12 -11 -133.907 409.605 8 7 12 -11 -416.496 540.845 6 7 12 -10 6195.35 1358.35 6 7 12 -10 6382.25 1247.46 8 7 12 -9 43890.8 3288.2 6 7 12 -9 44721.2 3197.59 8 7 12 -8 6673.8 1384.84 6 7 12 -8 6130.69 1227.26 8 7 12 -7 60798.1 3776.56 6 7 12 -7 57826.2 3605.73 8 7 12 -6 2508.86 789.792 8 7 12 -6 3779.19 1061.59 6 7 12 -5 394.63 583.299 6 7 12 -5 -145.057 606.837 8 7 12 -4 12891.2 1733.99 6 7 12 -4 13372.9 1758.25 8 7 12 -3 -263.305 615.968 8 7 12 -3 64.1652 473.812 6 -7 -12 2 4739.09 966.312 9 7 12 -2 5693.24 1199.96 8 7 12 -2 4969.15 1105.73 6 -7 -12 1 33163.7 2438.03 9 7 12 -1 38700.9 2929.34 8 7 12 -1 34015.9 2710.7 6 7 12 0 2140.44 793.536 8 7 12 1 13829.3 1778.04 8 7 12 2 8958.82 1496.69 8 7 12 3 594.872 578.389 8 7 12 4 10294.1 1590.92 8 7 12 5 2315.94 819.844 8 7 12 6 6163.45 1248.75 8 7 12 7 1020.49 552.294 8 7 12 8 31110.2 2602.88 8 7 12 9 1871.35 668.482 8 7 12 10 11199.8 1520.68 8 7 12 11 683.957 331.993 8 -7 -12 -11 305.015 410.133 5 7 12 12 747.336 564.16 8 -7 -12 -12 505.427 438.081 5 7 12 13 -1451.65 553.23 8 -7 -12 -13 666.952 480.947 5 -7 -12 -14 501.156 389.925 5 -7 -12 -15 4645.07 928.501 5 -7 -12 -16 1139.56 497.7 5 -7 -12 -17 13408.7 1418.87 10 -7 -12 -17 11758.7 1364.37 5 -7 -12 -18 1349.56 548.783 10 -7 -12 -18 678.222 387.122 5 -7 -12 -19 4905.64 800.07 10 -7 -12 -19 4684.37 809.164 5 7 13 -29 -213.601 277.689 15 7 13 -28 4569.21 861.679 15 7 13 -28 2288.56 530.704 7 7 13 -27 -62.4649 201.387 7 7 13 -27 702.382 456.716 15 7 13 -26 3244.32 713.699 7 7 13 -26 3688.17 831.321 15 7 13 -25 5572.75 945.257 7 7 13 -25 5293.72 1042.37 15 7 13 -24 17231.3 1830.03 15 7 13 -24 14523.9 1553.04 7 7 13 -23 1536.99 644.969 15 7 13 -23 2030.38 625.465 7 7 13 -22 100.702 364.858 7 7 13 -22 -707.552 619.813 15 7 13 -21 20051.3 1930.68 7 7 13 -21 19440.1 2008.62 15 7 13 -20 3905.61 904.947 7 7 13 -20 2910.12 783.473 15 7 13 -19 805.697 470.295 7 7 13 -19 -321.347 569.15 6 7 13 -18 817.168 351.966 7 7 13 -18 -358.172 511.181 6 7 13 -17 1117.08 575.401 7 7 13 -17 472.371 481.646 6 7 13 -16 -591.728 569.116 7 7 13 -16 -430.891 552.214 6 7 13 -15 4803.05 1132.23 6 7 13 -14 -192.095 315.384 8 7 13 -14 569.613 565.189 6 7 13 -13 1901.07 671.186 8 7 13 -13 2247.85 812.313 6 7 13 -12 1832.03 744.726 8 7 13 -12 1859.08 792.254 6 7 13 -11 13045.1 1806.19 6 7 13 -11 12496.5 1704.74 8 7 13 -10 1728.16 701.476 8 7 13 -10 404.41 562.173 6 7 13 -9 26331.1 2561.88 6 7 13 -9 23504.7 2338 8 7 13 -8 1712.21 802.194 6 7 13 -8 1135.41 733.334 8 7 13 -7 69926.3 4028.66 6 7 13 -7 70679.8 3990.07 8 7 13 -6 2038.53 730.488 8 7 13 -6 1183.97 698.917 6 7 13 -5 8523.95 1432.75 6 7 13 -5 9224.68 1512.46 8 7 13 -4 2761.2 840.127 8 7 13 -4 1483.19 677.156 6 -7 -13 3 4765.89 995.296 9 7 13 -3 4616.7 1127.43 8 7 13 -3 4440.34 1022.55 6 7 13 -2 18966.4 2052.66 6 -7 -13 2 17841.9 1793.42 9 7 13 -2 23108 2272.46 8 -7 -13 1 1022.56 545.1 9 7 13 -1 2827.22 886.411 8 7 13 0 39949.3 2989.1 8 7 13 1 1091.24 692.32 8 7 13 2 7545.15 1289.88 8 7 13 3 2311 816.657 8 7 13 4 3099.02 779.945 8 7 13 5 62.4536 443.805 8 7 13 6 4781.1 1018.34 8 7 13 7 1380.71 580.187 8 7 13 8 955.397 496.549 8 7 13 9 753.404 513.201 8 7 13 10 27.0691 383.248 8 7 13 11 -233.667 421.5 8 -7 -13 -11 443.299 479.928 5 7 13 12 2414.85 673.456 8 -7 -13 -12 3055.52 761.4 5 -7 -13 -13 774.269 481.481 5 -7 -13 -14 3283.38 746.177 5 -7 -13 -15 2372.41 623.571 5 -7 -13 -16 1458.16 489.505 10 -7 -13 -16 1251.24 479.93 5 -7 -13 -17 10615.6 1177.76 10 -7 -13 -17 10451.6 1156.91 5 7 14 -27 -54.4011 272.712 15 7 14 -26 337.755 243.979 7 7 14 -26 1384.07 486.048 15 7 14 -25 561.271 381.93 7 7 14 -25 869.026 377.894 15 7 14 -24 23744.4 1826.6 7 7 14 -24 25976.2 2087.87 15 7 14 -23 1580.02 560.052 7 7 14 -23 1086.11 565.697 15 7 14 -22 14060.9 1498.55 7 7 14 -22 14110.5 1605.24 15 7 14 -21 -571.38 426.361 7 7 14 -21 38.8587 499.038 15 7 14 -20 3380.51 829.818 7 7 14 -20 3659.87 851.384 15 7 14 -19 575.35 472.29 7 7 14 -19 338.595 387.197 15 7 14 -18 -326.39 433.057 7 7 14 -17 -329.773 447.559 7 7 14 -17 233.834 500.362 6 7 14 -16 3429.14 828.849 7 7 14 -16 2808.68 889.244 6 7 14 -15 916.864 489.422 7 7 14 -15 283.204 442.075 6 7 14 -14 -151.522 548.041 6 7 14 -13 532.818 396.909 8 7 14 -13 894.582 581.962 6 7 14 -12 491.996 583.937 6 7 14 -12 310.403 399.705 8 7 14 -11 33103.6 2666.39 8 7 14 -11 35231.1 2924.84 6 7 14 -10 462.876 518.145 8 7 14 -10 -492.492 504.121 6 7 14 -9 34265.8 2737.39 8 7 14 -9 32762 2769.75 6 7 14 -8 6351.57 1211.01 8 7 14 -8 7216.02 1356.81 6 7 14 -7 16785.3 1956.83 6 7 14 -7 19983.2 2111.33 8 7 14 -6 12646.6 1707.34 6 7 14 -6 13679.3 1767.3 8 7 14 -5 18995.5 2070.38 8 -7 -14 5 15077.7 1661.05 9 7 14 -5 16035.9 1899.64 6 -7 -14 4 13538 1579.19 9 7 14 -4 16364.7 1900.53 6 7 14 -4 17113.4 1984.98 8 -7 -14 3 -545.298 509.096 9 7 14 -3 590.023 597.364 8 7 14 -2 42280.8 2993.42 8 7 14 -1 12952.3 1702.96 8 7 14 0 11541.5 1571.72 8 7 14 1 4248.11 919.276 8 7 14 2 -268.569 432.586 8 7 14 3 -663.298 544.73 8 7 14 4 -455.952 502.63 8 7 14 5 14225.2 1709.88 8 7 14 6 1510.43 632.935 8 7 14 7 17323.8 1835.19 8 7 14 8 -118.243 332.912 8 7 14 9 918.008 445.646 8 7 14 10 2938.47 674.397 8 -7 -14 -10 3552.32 790.696 5 -7 -14 -11 6437.88 1026.02 5 7 14 11 4202.84 809.725 8 7 14 12 353.578 273.888 8 -7 -14 -12 176.358 324.973 5 -7 -14 -13 147.464 268.5 5 -7 -14 -14 261.187 263.276 5 -7 -14 -15 163.035 207.608 10 -7 -14 -15 -354.673 294.223 5 7 15 -25 259.353 282.852 15 7 15 -24 16492.5 1397.23 7 7 15 -24 19936 1676.48 15 7 15 -23 506.161 346.499 7 7 15 -23 801.121 462.615 15 7 15 -22 20563.1 1768.44 15 7 15 -22 21377.6 1716.11 7 7 15 -21 264.588 277.679 7 7 15 -21 439.18 310.871 15 7 15 -20 19663.1 1735.47 7 7 15 -20 15758.8 1613.3 15 7 15 -19 4051.18 839.831 7 7 15 -19 3888.38 824.144 15 7 15 -18 3058.02 766.305 7 7 15 -18 2229.05 632.199 15 7 15 -17 3122.18 761.915 7 7 15 -17 2203.59 502.308 15 7 15 -16 4549.59 939.376 7 7 15 -15 5334.81 997.869 7 7 15 -15 3852.1 953.33 6 7 15 -14 -38.4054 382.352 6 7 15 -13 400.389 285.953 8 7 15 -13 319.276 391.723 6 7 15 -12 520.706 427.6 8 7 15 -12 695.984 569.609 6 7 15 -11 12247.2 1689.8 6 7 15 -11 9983.49 1405.24 8 7 15 -10 5507.83 1129.49 6 7 15 -10 5537.93 1096.26 8 7 15 -9 5474.86 1104.07 8 7 15 -9 5450.37 1137.28 6 7 15 -8 1410.64 617.462 6 7 15 -8 552.831 473.334 8 -7 -15 7 313.916 328.565 9 7 15 -7 1236.98 604.577 8 7 15 -7 1569.04 638.562 6 -7 -15 6 3702.93 829.551 9 7 15 -6 3782.14 962.275 8 -7 -15 5 561.957 400.762 9 7 15 -5 455.946 437.136 8 7 15 -4 21724.7 2126.12 8 7 15 -3 3576.21 904.546 8 7 15 -2 3397.84 937.31 8 7 15 -1 -142.634 390.007 8 7 15 0 7.48275 410.156 8 7 15 1 -555.958 541.391 8 7 15 2 -170.23 543.719 8 7 15 3 12354.7 1540.66 8 7 15 4 4234.21 1001.48 8 7 15 5 12593.5 1512.39 8 7 15 6 2555.44 686.227 8 7 15 7 8781.81 1228.35 8 7 15 8 -344.21 401.913 8 -7 -15 -8 64.3355 375.294 5 7 15 9 3235.31 724.197 8 -7 -15 -9 2661.59 639.075 5 7 15 10 -212.216 264.178 8 -7 -15 -10 170.793 335.753 5 -7 -15 -11 134.672 254.341 5 -7 -15 -12 820.183 396.354 5 7 16 -21 1848.8 489.059 7 7 16 -20 29487.4 1948.96 7 7 16 -19 260.377 363.836 7 7 16 -18 870.589 428.127 7 7 16 -17 876.867 427.233 7 7 16 -16 2220.13 595.205 7 7 16 -15 2582.67 673.471 7 7 16 -14 258.829 346.24 7 7 16 -13 5976.04 1012.95 7 7 16 -12 -839.758 487.702 8 7 16 -11 207.9 268.344 8 -7 -16 10 -1135.71 480.798 9 7 16 -10 -149.723 457.974 8 -7 -16 9 -1388.75 516.089 9 7 16 -9 -58.5994 370.304 8 -7 -16 8 -801.573 415.206 9 7 16 -8 532.131 361.682 8 7 16 -7 -39.8015 384.415 8 7 16 -6 749.329 537.889 8 7 16 -5 -50.4925 372.915 8 7 16 -4 21.488 310.904 8 7 16 -3 1936.94 615.676 8 7 16 -2 1242.27 585.89 8 7 16 -1 400.863 398.327 8 7 16 0 680.776 448.886 8 7 16 1 -391.911 461.593 8 7 16 2 245.291 369.683 8 7 16 3 -946.655 519.425 8 7 16 4 58.6897 361.627 8 7 16 5 1622.69 544.289 8 7 16 6 1624.68 544.28 8 7 16 7 2068.37 579.689 8 -7 -16 -7 2429.15 635.271 5 7 16 8 -361.819 283.962 8 -7 -16 -8 48.6 237.716 5 -7 -16 -9 864.403 417.445 5 7 17 -18 11.0994 190.955 7 7 17 -17 800.322 313.403 7 7 17 -16 1033.5 412.537 7 7 17 -15 793.207 383.108 7 7 17 -14 2427.56 604.82 7 7 17 -13 -461.908 402.503 7 7 17 -12 2544.65 597.642 7 7 17 -12 2881.62 674.569 8 7 17 -11 409.304 310.599 8 7 17 -10 3654.06 788.785 8 7 17 -9 2008.31 636.071 8 7 17 -8 1194.73 531.575 8 7 17 -7 440.093 398.685 8 7 17 -6 2617.73 736.57 8 7 17 -5 5014.84 915.652 8 7 17 -4 2623.71 685.704 8 7 17 -3 721.177 477.643 8 7 17 -2 470.465 372.977 8 7 17 -1 170.765 335.275 8 7 17 0 1798.16 556.151 8 7 17 1 1458.06 542.049 8 7 17 2 -12.3663 248.798 8 7 17 3 1146.84 388.59 8 7 17 4 5693.15 875.04 8 -7 -17 -5 941.965 378.808 5 7 18 -11 -163.098 219.096 7 7 18 -10 3824.09 673.474 7 7 18 -8 222.452 281.054 8 7 18 -7 201.637 202.857 8 7 18 -6 -879.058 387.86 8 7 18 -5 -15.2197 239.608 8 7 18 -4 1475.97 507.707 8 7 18 -3 859.069 385.01 8 7 18 -2 3332.11 686.885 8 7 18 -1 208.141 253.444 8 -8 23 -6 -316.923 379.27 6 -8 23 -7 -438.174 427.269 6 -8 23 -8 436.678 296.127 6 -8 23 -9 2359.76 618.073 6 -8 23 -10 -950.828 519.376 6 -8 23 -11 153.655 304.752 6 -8 23 -12 531.013 315.269 6 -8 23 -13 -233.482 251.213 6 -8 23 -14 -429.306 294.274 6 8 -22 -2 475.604 289.538 9 8 -22 -1 6504.76 930.231 9 8 -22 0 591.229 290.17 9 8 -22 1 9022.91 1115.23 9 -8 22 -2 4700.4 880.689 6 8 -22 2 3481.34 752.764 9 -8 22 -3 -779.552 416.03 6 8 -22 3 -497.109 329.007 9 -8 22 -4 -410.72 478.733 6 8 -22 4 -61.3146 263.114 9 8 -22 5 6988.86 1002.96 9 -8 22 -5 11713.4 1452.53 6 -8 22 -6 3765.04 821.456 6 8 -22 6 2767.14 675.886 9 -8 22 -7 7546.61 1196.07 6 8 -22 7 3996.19 771.165 9 -8 22 -8 -125.865 321.259 6 8 -22 8 246.779 245.881 9 -8 22 -9 2696.58 738.147 6 8 -22 9 2149.03 574.514 9 -8 22 -10 2325.85 680.518 6 8 -22 10 1157.19 461.166 9 -8 22 -11 679.758 299.383 6 8 -22 11 366.01 291.251 9 -8 22 -12 405.912 267.092 6 -8 22 -13 464.875 301.985 6 -8 22 -14 9617 1268.9 6 -8 22 -15 840.514 435.597 6 -8 22 -16 1888.44 591.688 6 -8 22 -17 1064.75 388.796 6 -8 22 -18 -134.038 269.695 6 8 -21 -7 1334.92 426.176 9 8 -21 -6 660.517 362.312 9 8 -21 -5 2616.12 623.877 9 8 -21 -4 1060.85 454.006 17 8 -21 -4 335.816 224.728 9 8 -21 -3 278.829 307.209 17 8 -21 -3 95.5099 224.979 9 8 -21 -2 144.404 265.983 17 8 -21 -2 -394.538 317.44 9 8 -21 -1 609.013 414.488 9 8 -21 -1 1563.7 550.215 17 8 -21 0 2246.64 639.133 9 8 -21 0 1317.25 472.816 17 -8 21 -1 2947.99 806.804 6 8 -21 1 1680.27 476.436 17 8 -21 1 1465.29 530.602 9 -8 21 -2 719.818 444.416 6 8 -21 2 -125.796 588.996 17 8 -21 2 253.79 277.688 9 8 -21 3 -466.27 568.87 17 8 -21 3 381.302 291.243 9 -8 21 -4 957.524 488.823 6 8 -21 4 -147.966 368.305 9 -8 21 -5 7616.57 1306.91 6 8 -21 5 6098.42 1034.11 9 -8 21 -6 -79.2315 360.472 6 8 -21 6 8.19083 251.041 9 -8 21 -7 7617.76 1307.7 6 8 -21 7 5433.97 985.45 9 -8 21 -8 74.9618 463.995 6 8 -21 8 607.882 470.626 9 -8 21 -9 -958.423 677.252 6 8 -21 9 -260.772 351.312 9 -8 21 -10 5070.55 1029.88 6 8 -21 10 3266.84 716.808 9 -8 21 -11 808.147 448.995 6 8 -21 11 556.096 449.499 9 -8 21 -12 395.668 336.935 6 8 -21 12 384.918 331.777 9 -8 21 -13 -515.788 548.654 6 8 -21 13 -574.581 359.223 9 -8 21 -14 273.829 371.116 6 8 -21 14 390.265 319.403 9 -8 21 -15 2225.9 678.812 6 -8 21 -16 -242.873 290.13 6 -8 21 -17 977.434 431.623 6 -8 21 -18 2954.21 750.078 6 -8 21 -19 -4.58018 394.662 6 -8 21 -20 4620.53 857.307 6 -8 21 -21 -338.44 291.109 6 8 -20 -10 -159.263 244.515 9 8 -20 -9 895.754 416.63 9 8 -20 -8 4909.04 899.578 17 8 -20 -8 4217.72 815.549 9 8 -20 -7 207.732 250.447 9 8 -20 -7 506.485 333.044 17 8 -20 -6 2597.13 623.03 9 8 -20 -6 2851.81 768.275 17 8 -20 -5 1455.66 553.115 17 8 -20 -5 882.822 423.854 9 8 -20 -4 2504.42 714.805 17 8 -20 -4 2155.21 612.526 9 8 -20 -3 2499.86 713.205 17 8 -20 -3 543.617 455.181 9 8 -20 -2 -876.335 668.803 17 8 -20 -2 193.348 330.599 9 -8 20 1 1397.67 600.08 6 8 -20 -1 1399.8 510.291 17 8 -20 -1 1866.41 609.522 9 -8 20 0 -144.383 436.615 6 8 -20 0 361.045 395.634 17 8 -20 0 88.8088 276.058 9 -8 20 -1 -620.115 596.485 6 8 -20 1 -22.5248 314.507 9 -8 20 -2 7709.11 1313.18 6 8 -20 2 6549.28 1099.75 9 -8 20 -3 2486.26 756.927 6 8 -20 3 1404.43 517.119 9 -8 20 -4 -700.493 637.397 6 8 -20 4 -41.3437 276.463 9 -8 20 -5 -770.785 648.739 6 8 -20 5 -215.819 385.724 9 8 -20 6 -63.9657 463.038 9 -8 20 -6 171.591 461.432 6 -8 20 -7 1894.56 680 6 8 -20 7 1780.11 632.262 9 -8 20 -8 949.713 547.843 6 8 -20 8 1317.19 595.23 9 -8 20 -9 2729.27 815.967 6 8 -20 9 2635.01 809.903 9 -8 20 -10 -324.2 547.014 6 8 -20 10 -79.7146 404.325 9 -8 20 -11 2938.06 848.834 6 8 -20 11 2788.11 771.671 9 -8 20 -12 3054.67 822.327 6 -8 20 -13 -178.112 414.57 6 -8 20 -14 -835.275 605.002 6 -8 20 -15 231.881 382.54 6 -8 20 -16 3736.34 898.983 6 -8 20 -17 479.17 497.924 6 -8 20 -18 767.71 388.083 6 -8 20 -19 -347.178 458.636 6 -8 20 -20 2010.95 709.378 6 -8 20 -21 6824.05 1082.46 6 -8 20 -22 521.137 304.4 6 -8 20 -23 237.487 218.524 6 -8 20 -23 222.961 277.189 14 8 -19 -12 -523.935 329.862 9 8 -19 -11 1602.02 573.357 9 8 -19 -10 1483.98 558.326 17 8 -19 -10 819.105 401.864 9 8 -19 -9 1014.76 462.086 9 8 -19 -9 637.318 430.495 17 8 -19 -8 1258.07 564.222 17 8 -19 -8 65.399 263.032 9 8 -19 -7 -242.67 388.249 9 8 -19 -7 62.9974 434.721 17 8 -19 -6 236.585 353.287 17 8 -19 -6 45.3815 268.853 9 8 -19 -5 221.45 245.915 9 8 -19 -5 1182.26 589.074 17 8 -19 -4 5685.05 1046.63 9 8 -19 -4 6337.53 1157.38 17 8 -19 -3 2427.4 725.031 9 8 -19 -3 860.404 407.823 17 -8 19 2 5575.23 1054.78 6 8 -19 -2 5007.99 1032.74 17 8 -19 -2 4666.4 956.353 9 -8 19 1 2443.76 749.096 6 8 -19 -1 700.532 488.387 9 -8 19 0 21835.8 2186.67 6 8 -19 0 18626.3 1913.46 9 8 -19 1 5765.52 1112.02 9 -8 19 -1 5367.76 1150.27 6 -8 19 -2 11068.8 1570.21 6 8 -19 2 10579.7 1456.42 9 8 -19 3 2191.05 718.362 9 -8 19 -3 2468.86 776.304 6 -8 19 -4 -328.774 570.961 6 8 -19 4 -113.028 461.647 9 -8 19 -5 1095.39 474.461 6 8 -19 5 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624.669 14 8 7 -32 1208.27 455.528 7 8 7 -31 2283.34 629.387 14 8 7 -31 1346.94 531.068 7 8 7 -31 1688.04 602.965 15 8 7 -30 1019.64 464.134 14 8 7 -30 1230.41 485.654 7 8 7 -30 904.494 440.802 15 8 7 -29 217.721 332.755 14 8 7 -29 245.318 284.645 7 8 7 -29 -17.799 352.056 15 8 7 -28 5692.51 1029.5 14 8 7 -28 6073.74 1062.24 7 8 7 -28 6214.66 1149.13 15 8 7 -27 553.459 298.155 14 8 7 -27 497.187 405.798 7 8 7 -27 1361.72 553.955 15 8 7 -26 -474.383 622.575 14 8 7 -26 -252.557 384.925 7 8 7 -26 -687.418 523.964 15 8 7 -25 260.542 450.222 14 8 7 -25 -363.901 586.846 7 8 7 -25 -72.8084 495.472 15 8 7 -24 36584.4 2595.72 14 8 7 -24 38638.9 2643.95 7 8 7 -24 40312.1 2959.74 15 8 7 -23 573.841 560.607 14 8 7 -23 1035.24 632.372 7 8 7 -23 675.76 649.767 15 8 7 -22 123313 4712.85 7 8 7 -22 132014 5348.29 15 8 7 -21 2181.92 768.173 14 8 7 -21 1146.73 600.033 7 8 7 -21 1998.18 894.05 15 8 7 -20 57304.6 3208.62 14 8 7 -20 63130.7 3391.55 7 8 7 -20 63450.9 3714.88 15 8 7 -19 388.889 506.736 14 8 7 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2368.91 659.616 6 -9 22 -17 8217.82 1099.68 6 -9 22 -18 353.131 296.659 6 9 -21 -7 3427.23 703.203 17 9 -21 -6 2601.94 646.507 17 9 -21 -6 2138.19 523.46 9 9 -21 -5 1441.22 499.733 17 9 -21 -5 153.493 215.191 9 9 -21 -4 -107.333 261.32 9 9 -21 -4 -48.8816 264.294 17 9 -21 -3 888.066 315.763 9 9 -21 -3 2108.27 566.758 17 9 -21 -2 -679.509 362.71 17 9 -21 -2 -316.139 269.611 9 9 -21 -1 2272.53 666.667 17 9 -21 -1 1484.42 478.079 9 -9 21 0 -40.2458 323.96 6 9 -21 0 424.225 296.512 9 9 -21 0 -342.525 466.675 17 -9 21 -1 1383.07 578.086 6 9 -21 1 1438.02 456.008 17 9 -21 1 1317.56 492.049 9 -9 21 -2 646.013 432.548 6 9 -21 2 -87.5511 236.609 9 9 -21 2 -241.925 525.393 17 -9 21 -3 1862.36 711.095 6 9 -21 3 -241.467 277.865 9 -9 21 -4 7112.92 1240.59 6 9 -21 4 4248.86 855.81 9 -9 21 -5 108.417 336.002 6 9 -21 5 -18.2983 248.514 9 -9 21 -6 1061.52 535.071 6 -9 21 -7 1556.82 650.786 6 -9 21 -8 11811.6 1565.06 6 -9 21 -9 721.648 449.049 6 -9 21 -10 10315.1 1478.19 6 -9 21 -11 1153.44 675.763 6 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2360 6 9 -20 3 16936.5 1736.69 9 -9 20 -4 2162.31 736.866 6 9 -20 4 2347.72 661.004 9 -9 20 -5 12043.2 1648.79 6 9 -20 5 7375.02 1145.53 9 -9 20 -6 4612.46 1062.79 6 9 -20 6 2228.05 663.774 9 -9 20 -7 27923.2 2511.74 6 9 -20 7 17442.2 1776.55 9 -9 20 -8 3839.42 1044.4 6 -9 20 -9 27432.7 2484.62 6 -9 20 -10 12654.1 1700.24 6 -9 20 -11 9730.69 1505.89 6 -9 20 -12 1892.75 682.21 6 -9 20 -13 4182.16 937.399 6 -9 20 -14 -115.454 510.742 6 -9 20 -15 -182.654 412.342 6 -9 20 -16 73.3763 318.414 6 -9 20 -17 3761.89 907.779 6 -9 20 -18 2411.22 725.11 6 -9 20 -19 1875.07 645.744 6 -9 20 -20 2341.95 718.354 6 -9 20 -21 2405.25 622.336 6 -9 20 -22 2853.33 672.5 6 -9 20 -22 2906.65 683.344 14 9 -19 -11 6812.99 993.779 9 9 -19 -11 10425 1296.54 17 9 -19 -10 208.624 316.725 9 9 -19 -10 981.726 544.328 17 9 -19 -9 -231.69 269.854 9 9 -19 -9 656.69 451.982 17 9 -19 -8 2213.84 629.738 9 9 -19 -8 1924.8 649.553 17 9 -19 -7 2187.94 673.805 17 9 -19 -7 1699.08 532.149 9 9 -19 -6 2857.09 686.749 9 9 -19 -6 3559.58 910.711 17 9 -19 -5 980.815 446.965 17 9 -19 -5 1728.09 561.298 9 9 -19 -4 2585.73 698.771 9 9 -19 -4 3705.19 873.737 17 9 -19 -3 -520.455 633.058 17 9 -19 -3 719.886 424.655 9 -9 19 2 413.939 373.334 6 9 -19 -2 1485.45 606.891 9 -9 19 1 12102 1605.04 6 9 -19 -1 10488 1396.43 9 -9 19 0 2356.63 750.783 6 9 -19 0 1487.83 570.684 9 -9 19 -1 -755.078 527.266 6 9 -19 1 547.025 272.513 9 -9 19 -2 1211.63 616.896 6 9 -19 2 216.015 270.378 9 -9 19 -3 7917.03 1383.2 6 9 -19 3 5852.37 1081.06 9 9 -19 4 560.229 431.242 9 -9 19 -4 1632.79 678.119 6 -9 19 -5 5406.79 1164.61 6 9 -19 5 4988.35 1016.05 9 -9 19 -6 231.175 465.807 6 9 -19 6 137.882 400.666 9 9 -19 7 -3.7441 390.679 9 -9 19 -7 -675.462 722.099 6 -9 19 -8 2450.17 754.831 6 -9 19 -9 -93.7441 467.969 6 -9 19 -10 4723.79 1138.22 6 -9 19 -11 4855.19 1025.36 6 -9 19 -12 8115.77 1363.74 6 -9 19 -13 4274.04 981.76 6 -9 19 -14 931.811 508.22 6 -9 19 -15 1267.23 577.952 6 -9 19 -16 1831.24 725.418 6 -9 19 -17 1193.87 614.876 6 -9 19 -17 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1017.69 545.689 4 -9 18 -21 391.463 338.476 6 -9 18 -21 114.277 376.105 4 -9 18 -22 11239.3 1519.69 4 -9 18 -22 9906.96 1347.02 6 -9 18 -23 3009.24 718.152 14 -9 18 -23 5001.41 990.885 4 -9 18 -24 1096.06 451.051 14 -9 18 -24 1077.81 502.508 4 -9 18 -25 3073.55 660.084 14 -9 18 -25 6391.76 1088.62 4 9 -17 -14 1993.2 605.484 17 9 -17 -13 587.616 332.879 9 9 -17 -13 1723.6 624.446 17 9 -17 -12 1382.32 575.315 17 9 -17 -12 208.824 314.966 9 9 -17 -11 459.379 275.747 9 9 -17 -11 985.419 529.986 17 9 -17 -10 -336.054 502.225 17 9 -17 -10 32.3817 342.474 9 9 -17 -9 1340.08 573.265 17 9 -17 -9 621.824 447.539 9 9 -17 -8 5783.39 1051.77 9 9 -17 -8 7098.59 1231.44 17 9 -17 -7 253.569 430.4 17 9 -17 -7 -150.373 323.905 9 9 -17 -6 565.878 476.89 17 9 -17 -6 707.266 427.369 9 9 -17 -5 3097.86 852.469 9 -9 17 4 -192.152 400.032 6 9 -17 -4 161.535 354.708 9 -9 17 3 175.445 393.186 6 9 -17 -3 929.298 466.357 9 -9 17 2 34476.9 2782.32 6 9 -17 -2 29811.4 2450.86 9 -9 17 1 1790.76 686.005 6 9 -17 -1 2330.54 776.589 9 -9 17 0 4071.03 1032.83 6 9 -17 0 3048.19 796.828 9 -9 17 -1 72.8842 410.273 6 9 -17 1 497.403 499.77 9 9 -17 2 392.099 433.181 9 -9 17 -2 1494.69 643.777 6 -9 17 -3 5361.57 1204.66 6 9 -17 3 3086.79 758.332 9 -9 17 -4 9968.36 1548.08 6 9 -17 4 6594.88 1208.85 9 -9 17 -5 356.944 410.856 6 9 -17 5 -570.785 514.184 9 -9 17 -6 103.143 558.818 6 9 -17 6 181.561 350.205 9 -9 17 -7 14598.8 1857.69 6 -9 17 -8 18653.1 2105.06 6 -9 17 -9 25710.4 2443.47 6 -9 17 -10 3249.85 1031.51 6 -9 17 -11 2536.77 906.319 6 -9 17 -11 2173.57 736.287 4 -9 17 -12 20338.5 2246.22 6 -9 17 -12 18311.6 2045.47 4 -9 17 -13 22170.5 2293.03 6 -9 17 -13 22329.3 2228.6 4 -9 17 -14 5111.15 1221.25 6 -9 17 -14 4182.12 1067.18 4 -9 17 -15 15536.2 1906.56 6 -9 17 -15 13250.6 1749.16 4 -9 17 -16 2327.64 879.194 6 -9 17 -16 2492.67 834.298 4 -9 17 -17 16764.2 1958.48 6 -9 17 -17 15385.2 1896.51 4 -9 17 -18 1542.28 627.338 6 -9 17 -18 175.307 443.114 4 -9 17 -19 746.589 531.528 6 -9 17 -19 714.788 401.888 4 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1664.77 13 9 -11 -18 15972.8 1908 17 9 -11 -17 78198.6 3974.56 13 9 -11 -17 78847.4 4066.33 17 9 -11 -16 18408.3 1956.73 13 9 -11 -16 18093.4 1993.12 17 9 -11 -15 6392.65 1220.02 13 9 -11 -15 5308.68 1129.92 17 9 -11 -14 6488.8 1184.89 13 9 -11 -14 6540.35 1196.42 17 9 -11 -14 5830.62 1149.24 9 9 -11 -13 37052.8 2653.09 13 9 -11 -13 37389.7 2735.98 17 9 -11 -13 36888.2 2722.52 9 9 -11 -12 354.636 357.989 13 9 -11 -12 47.1552 362.467 9 9 -11 -12 26.099 455.728 17 9 -11 -11 1067.47 595.935 13 9 -11 -11 916.697 534.727 9 9 -11 -11 248.452 422.219 17 9 -11 -10 729.557 468.802 9 9 -11 -10 1074.92 367.576 13 9 -11 -10 770.803 457.084 17 9 -11 -9 4857.6 1011.98 13 9 -11 -9 2360.16 819.004 9 9 -11 -8 69066.7 3441.77 9 -9 11 8 73566.9 3533.03 6 -9 11 7 15476.9 1649.38 6 9 -11 -7 15357.3 1591.9 13 9 -11 -7 12224.2 1438.22 9 -9 11 7 17508.1 1735.95 3 -9 11 6 317.798 343.877 6 -9 11 6 420.23 391.721 3 9 -11 -6 469.52 408.786 13 9 -11 -5 19814 1786.18 13 -9 11 5 21255.5 1877.86 3 -9 11 5 19321.9 1828.54 6 9 -11 -4 122.457 328.748 13 -9 11 4 90.5236 450.104 6 -9 11 4 -199.872 509.532 3 -9 11 3 1130.44 398.852 6 -9 11 3 895.214 445.502 3 9 -11 -3 1743.45 621.192 13 9 -11 -2 202.722 366.33 13 -9 11 2 380.04 344.956 6 -9 11 2 -469.758 526.798 3 9 -11 -1 369.74 367.499 13 -9 11 1 696.611 448.896 6 -9 11 1 123.368 324.274 3 -9 11 0 51152 2895.55 6 9 -11 0 56762.5 2986.86 13 -9 11 0 51388.6 2768.16 3 -9 11 -1 11195.5 1368.95 6 9 -11 1 11372.5 1366.08 13 -9 11 -1 9805.9 1206.5 3 9 -11 2 8071.18 1143.25 13 -9 11 -2 7013.9 1096.6 6 -9 11 -2 7359.4 1066.43 3 9 -11 3 1110.81 393.812 13 -9 11 -3 885.918 340.326 6 -9 11 -3 1187.8 517.9 3 -9 11 -4 6491.39 1030.11 6 -9 11 -4 5978.71 951.419 3 -9 11 -5 6842.73 963.241 4 -9 11 -5 9133.71 1161.24 3 -9 11 -5 10247.4 1331.05 6 -9 11 -6 3191.7 682.396 4 -9 11 -6 3220.74 748.555 6 -9 11 -6 2860.76 672.318 3 -9 11 -7 28270.6 2027.47 4 -9 11 -7 30709.9 2264.85 6 -9 11 -7 30875.1 2118.5 3 -9 11 -8 3485.19 715.559 4 -9 11 -8 2654.3 725.139 6 -9 11 -8 3013.83 664.965 3 -9 11 -9 833.394 389.67 4 -9 11 -9 1539.29 640.21 6 -9 11 -9 1023.43 424.963 3 -9 11 -10 21520.7 1833.59 4 -9 11 -10 20243 1915.08 6 -9 11 -10 20406.9 1808.61 3 -9 11 -11 36158.9 2403.66 4 -9 11 -11 36024.8 2564.47 6 -9 11 -11 35706.8 2393.49 3 -9 11 -12 1832.38 607.28 4 -9 11 -12 2853.35 869.965 6 -9 11 -12 1743.69 638.114 3 -9 11 -13 24206.4 2016.79 4 -9 11 -13 22379.3 2062.8 6 -9 11 -13 23263.5 1998.68 3 -9 11 -14 21.1676 403.111 4 -9 11 -14 -175.282 400.517 6 -9 11 -14 15.2345 359.922 3 -9 11 -15 -33.4678 371.71 4 -9 11 -15 42.5058 397.744 6 -9 11 -15 -268.045 310.1 3 -9 11 -16 2237.8 664.96 4 -9 11 -16 2115.35 682.967 6 -9 11 -16 1075.62 361.435 5 -9 11 -16 2393.71 730.59 3 -9 11 -17 6132.06 1108.27 6 -9 11 -17 5633.14 928.306 5 -9 11 -17 5655.75 1033.35 3 -9 11 -17 7945.25 1248.38 4 -9 11 -18 1051.34 471.936 4 -9 11 -18 1641.73 587.272 5 -9 11 -18 1067.25 453.049 3 -9 11 -19 1083.18 535.104 4 -9 11 -19 528.817 357.434 5 -9 11 -20 12849.9 1527.29 5 -9 11 -20 13803.8 1674.69 4 -9 11 -21 8860.47 1301.69 5 -9 11 -21 9102.8 1434.27 4 -9 11 -22 8004.68 1280.8 5 -9 11 -22 8109.39 1352.02 4 -9 11 -23 9560.63 1481.35 4 -9 11 -23 8607.61 1336.97 5 -9 11 -24 486.658 499.307 4 -9 11 -24 243.124 414.801 5 -9 11 -25 3177.61 892.93 4 -9 11 -25 2982.13 797.141 5 -9 11 -26 4837.12 968.387 5 -9 11 -26 4805.53 1059.86 4 -9 11 -27 24482.9 2117.41 5 -9 11 -27 22828.3 2190.12 4 -9 11 -28 1581.16 695.112 5 -9 11 -28 -13.8155 350.396 4 -9 11 -29 7863.76 1252.65 4 -9 11 -29 11102.4 1404.29 5 -9 11 -30 963.95 592.619 5 -9 11 -30 1020.9 488.911 4 -9 11 -31 613.507 424.348 4 -9 11 -31 1571.89 600.601 5 -9 11 -32 3698.65 827.722 5 -9 11 -32 1450.76 492.665 4 -9 11 -33 2584.89 695.105 5 9 -10 -24 18209 1740 13 9 -10 -23 2502.66 694.597 13 9 -10 -22 23787.9 2118.49 13 9 -10 -21 1341.7 595.715 13 9 -10 -20 32302.9 2554.94 13 9 -10 -19 14290 1755.02 13 9 -10 -18 76085.7 3923.24 13 9 -10 -18 73012 3973.81 17 9 -10 -17 30644 2505.11 13 9 -10 -17 28110.2 2508.54 17 9 -10 -16 108973 4689.84 13 9 -10 -16 109985 4767.03 17 9 -10 -15 4161.47 904.319 17 9 -10 -15 5021.19 1077.14 13 9 -10 -14 1065.45 580.662 17 9 -10 -14 977.659 605.596 13 9 -10 -13 925.385 563.51 9 9 -10 -13 2943.74 856.655 13 9 -10 -13 1493.84 682.401 17 9 -10 -12 8902.86 1334.01 9 9 -10 -12 9823.42 1377.29 13 9 -10 -12 10323.4 1444.62 17 9 -10 -11 2421.61 727.568 13 9 -10 -11 1876.67 508.67 9 9 -10 -11 1869.59 717.705 17 9 -10 -10 4554.68 888.816 13 9 -10 -10 3032.02 714.639 9 9 -10 -9 31.3823 451.15 13 -9 10 9 34.357 274.262 6 9 -10 -9 711.136 388.831 9 9 -10 -8 2936.85 710.654 13 -9 10 8 3553.93 810.214 6 -9 10 8 3400.49 773.909 3 9 -10 -7 6633.45 1041.93 13 -9 10 7 6416.02 1015.14 6 -9 10 7 6942.43 1096.7 3 9 -10 -6 2741.38 765.824 13 -9 10 6 1163.07 537.312 6 -9 10 6 1650.76 487.145 3 9 -10 -5 61450.4 3048.8 13 -9 10 5 55797.4 3003.82 6 -9 10 5 58201.6 2962.19 3 9 -10 -4 12064.2 1391.48 13 -9 10 4 10012.6 1314.15 6 -9 10 4 10954.4 1308.55 3 9 -10 -3 40956.6 2458.72 13 -9 10 3 41134.4 2569.34 6 -9 10 3 40223.5 2399.35 3 9 -10 -2 727.379 415.835 13 -9 10 2 611.953 448.305 6 -9 10 2 175.61 376.083 3 9 -10 -1 25758 1970.09 13 -9 10 1 23633.3 1924.36 6 -9 10 1 23759.6 1794.01 3 9 -10 0 63359.9 3073.94 13 -9 10 0 60180.3 3015.16 6 -9 10 0 58886 2809.36 3 9 -10 1 12354.8 1372.91 13 -9 10 -1 12538.2 1385.04 6 -9 10 -1 13148.1 1330.62 3 9 -10 2 107540 3972.84 13 -9 10 -2 108503 4021.65 6 -9 10 -2 105991 3719.86 3 -9 10 -3 13469.5 1457.23 6 -9 10 -3 11768.4 1252.38 3 9 -10 3 13250.1 1415.62 13 9 -10 4 46051.7 2601.63 13 -9 10 -4 43998.4 2559.07 6 -9 10 -4 43267.8 2366.32 3 -9 10 -5 135789 4169.84 3 -9 10 -5 142155 4624.1 6 -9 10 -6 69777 3281.19 6 -9 10 -6 65814.6 2919.59 3 -9 10 -7 103731 4015.53 6 -9 10 -7 102710 3679.21 3 -9 10 -8 5369.62 991.691 6 -9 10 -8 4718.03 828.204 3 -9 10 -9 79110.7 3584.91 6 -9 10 -9 80425 3327.38 3 -9 10 -10 -238.667 413.14 6 -9 10 -10 113.351 342.252 3 -9 10 -11 567.128 375.179 6 -9 10 -11 273.568 303.225 3 -9 10 -12 764.907 526.947 6 -9 10 -12 267.718 340.044 3 -9 10 -13 -198.569 318.491 6 -9 10 -13 -129.112 392.115 3 -9 10 -14 2114.26 631.378 4 -9 10 -14 2504.41 737.464 6 -9 10 -14 1400.6 515.027 3 -9 10 -15 1260.59 493.363 4 -9 10 -15 1045.97 572.942 6 -9 10 -15 525.869 453.983 3 -9 10 -16 5765.91 1046.57 4 -9 10 -16 6253.13 1089.43 6 -9 10 -16 5137.41 908.472 5 -9 10 -16 5252.79 965.028 3 -9 10 -17 4325.26 960.045 4 -9 10 -17 2775.73 709.343 5 -9 10 -17 3006.98 776.74 3 -9 10 -18 8126.86 1192.85 5 -9 10 -18 5734.71 1047.11 3 -9 10 -18 8115.67 1298.76 4 -9 10 -19 7564.86 1205.82 5 -9 10 -19 7957.83 1260.59 4 -9 10 -20 1102.19 642.798 4 -9 10 -20 1430.41 679.696 5 -9 10 -21 5507.6 1088.75 4 -9 10 -21 6407.38 1134.59 5 -9 10 -22 6163.8 1187.03 4 -9 10 -22 5989.92 1123.49 5 -9 10 -23 413.202 504.655 4 -9 10 -23 635.551 594.08 5 -9 10 -24 732.059 454.129 4 -9 10 -24 2148.02 788.307 5 -9 10 -25 12113.8 1632.74 4 -9 10 -25 11914.2 1519.64 5 -9 10 -26 1365.22 667.261 4 -9 10 -26 1650.39 763.437 5 -9 10 -27 18219.5 2017.02 4 -9 10 -27 19042.2 1901.58 5 -9 10 -28 2480.75 819.532 5 -9 10 -28 952.658 531.821 4 -9 10 -29 17891.5 1887.78 4 -9 10 -29 21978.2 1969.9 5 -9 10 -30 1594.05 742.649 5 -9 10 -30 -346.821 324.077 4 -9 10 -31 26469 2053.81 5 -9 10 -31 21074.4 1903.73 4 -9 10 -32 6423.15 984.095 4 -9 10 -32 10067.2 1284.48 5 -9 10 -33 1473.81 607.725 5 -9 10 -34 7270.91 1006.79 5 9 -9 -26 1053.35 387.812 13 9 -9 -25 1697.91 587.62 13 9 -9 -24 16091.1 1710.02 13 9 -9 -23 3328.95 866.809 13 9 -9 -22 1380.37 651.423 13 9 -9 -21 -36.6527 422.778 13 9 -9 -20 290.912 492.331 13 9 -9 -19 25770.6 2351.12 13 9 -9 -18 53414.2 3321.02 13 9 -9 -18 49513.9 3262.62 17 9 -9 -17 9022.74 1473.11 17 9 -9 -17 11422.9 1559.91 13 9 -9 -17 6713.7 1189.15 2 9 -9 -16 6044.9 1131.07 13 9 -9 -16 5570.28 1066.09 17 9 -9 -16 3715.37 911.193 2 9 -9 -15 193.927 373.679 13 9 -9 -15 711.81 385.385 17 9 -9 -15 240.848 389.367 2 9 -9 -14 18873.4 1884.84 13 9 -9 -14 15030.4 1654.27 2 9 -9 -14 17531 1824.05 17 9 -9 -13 30346.3 2329.11 13 9 -9 -13 26803 2280.11 17 9 -9 -13 25915.5 2110.58 2 9 -9 -12 4392.77 879.253 13 9 -9 -12 2800.8 668.039 9 9 -9 -12 3183.16 741.366 2 9 -9 -12 3609.11 852.09 17 9 -9 -11 16472.9 1659.18 13 9 -9 -11 13121.3 1500.38 9 9 -9 -11 14806.9 1486.14 2 9 -9 -11 17445.7 1812.29 17 9 -9 -10 29944.7 2013.08 2 9 -9 -10 33354.2 2332.17 13 9 -9 -9 20664.1 1804.38 13 9 -9 -9 17343 1665.76 12 9 -9 -8 13760.7 1470.73 13 9 -9 -8 12325.2 1416.92 12 -9 9 8 12233.6 1335.61 3 9 -9 -7 3869.98 804.013 12 9 -9 -7 3935.94 786.176 13 -9 9 7 4430.44 799.131 3 9 -9 -6 19064 1679.09 13 9 -9 -6 18412.3 1708.36 12 -9 9 6 20757 1706.99 3 9 -9 -5 1696.82 598.334 13 9 -9 -5 1563.43 581.789 12 -9 9 5 831.776 371.667 3 9 -9 -4 766.124 390.734 13 9 -9 -4 15.6106 381.099 12 -9 9 4 706.449 352 3 9 -9 -3 43710.7 2487.28 13 9 -9 -3 40860.8 2445.5 12 -9 9 3 44980.4 2387.48 3 9 -9 -2 1967.65 548.249 13 9 -9 -2 1871.81 501.639 12 -9 9 2 1641.79 425.164 3 9 -9 -1 44296.7 2491.05 13 9 -9 -1 40140.7 2356.46 12 -9 9 1 43784.7 2311.35 3 9 -9 0 12534.3 1347.31 13 9 -9 0 11809.9 1286.97 12 -9 9 0 12172.7 1213.94 3 9 -9 1 -220.723 399.97 12 -9 9 -1 199.409 338.993 3 9 -9 2 32070.5 2110.68 12 -9 9 -2 29790.1 1880.27 3 9 -9 3 167.952 261.212 12 -9 9 -3 -92.7029 448.237 6 -9 9 -3 467.555 347.101 3 9 -9 4 4667.83 827.403 12 -9 9 -4 4947.08 825.179 6 -9 9 -4 5082.9 804.379 3 -9 9 -5 7149.59 1020.81 6 -9 9 -5 8368.43 1014.39 3 -9 9 -6 19340.4 1671.58 6 -9 9 -6 18896.5 1533.93 3 -9 9 -7 33697.8 2223.94 6 -9 9 -7 34157.7 2046.71 3 -9 9 -8 10450 1250.82 6 -9 9 -8 10401.9 1176.21 3 -9 9 -9 64783.5 3165.82 6 -9 9 -9 67053.2 2925.99 3 -9 9 -10 21430 1852.18 6 -9 9 -10 23011.4 1746.5 3 -9 9 -11 9788.42 1303.73 6 -9 9 -11 9981.7 1208.35 3 -9 9 -12 8631.95 1238.91 6 -9 9 -12 10185.3 1239.42 3 -9 9 -13 5050.92 948.515 6 -9 9 -13 6171.46 1001.82 3 -9 9 -14 100.453 464.174 6 -9 9 -14 1188.57 531.169 11 -9 9 -14 293.655 313.609 3 -9 9 -15 19294.6 1826.08 11 -9 9 -15 17211.9 1577.67 5 -9 9 -15 22131.3 1899.09 3 -9 9 -15 18964.6 1814.43 6 -9 9 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-9 9 -28 2047.39 627.771 4 -9 9 -29 14177.8 1636.07 5 -9 9 -29 14044.3 1661.72 4 -9 9 -30 496.079 409.197 4 -9 9 -30 2633.93 872.68 5 -9 9 -31 15994.9 1669.3 5 -9 9 -31 10938.2 1361.23 4 -9 9 -32 5954.21 1051.12 5 -9 9 -33 3853.17 874.849 5 -9 9 -34 2406.82 702.593 5 9 -8 -27 2640.49 659.257 13 9 -8 -26 3542.58 812.406 13 9 -8 -25 9002.92 1303.62 13 9 -8 -24 8708.21 1332.37 13 9 -8 -23 13754.8 1659.6 13 9 -8 -22 8955.81 1361.06 13 9 -8 -21 2869.14 768.106 13 9 -8 -20 6980.42 1247.5 13 9 -8 -19 23662.6 2189.76 13 9 -8 -19 18262.1 2143.45 2 9 -8 -18 265.927 425.671 17 9 -8 -18 -372.975 567.806 13 9 -8 -18 648.409 552.993 2 9 -8 -17 4170.41 996.478 13 9 -8 -17 3635.67 856.694 17 9 -8 -17 3107.25 829.656 2 9 -8 -16 19914.5 1962.14 13 9 -8 -16 16284.2 1832.02 2 9 -8 -16 20583.7 2055.27 17 9 -8 -15 4414.96 956.474 13 9 -8 -15 4901.06 996.526 17 9 -8 -15 3276.58 841.533 2 9 -8 -14 990.523 566.543 17 9 -8 -14 624.467 405.459 2 9 -8 -14 925.993 586.906 13 9 -8 -13 67263.5 3370.32 13 9 -8 -13 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67054.4 3542.94 16 -10 4 -17 17996 1878.38 1 -10 4 -17 17141.5 1874.51 11 -10 4 -17 19459.6 1828.38 5 -10 4 -17 18136.1 1907.08 16 -10 4 -18 8320.76 1278.97 1 -10 4 -18 9205.57 1419.14 11 -10 4 -18 8658.61 1242.41 5 -10 4 -18 11014.6 1501.81 16 -10 4 -19 5167.87 1106.03 11 -10 4 -19 6064.12 1070.36 5 -10 4 -19 4962.84 1011.56 1 -10 4 -19 5030.47 1079.32 16 -10 4 -20 1167.8 580.602 11 -10 4 -20 2347.48 793.087 5 -10 4 -20 1396.93 685.191 16 -10 4 -21 30728.1 2610.07 11 -10 4 -21 32677.3 2548.14 5 -10 4 -22 1497.04 461.831 11 -10 4 -22 1136.31 592.817 5 -10 4 -23 339.532 586.16 11 -10 4 -23 1126.4 609.492 5 -10 4 -24 4299.77 938.939 4 -10 4 -24 5098.62 1113.1 11 -10 4 -24 5813.17 1145.63 5 -10 4 -25 4362.96 973.537 4 -10 4 -25 4809.01 1092.58 11 -10 4 -25 5500.43 1097.05 5 -10 4 -26 43886.9 3081.11 11 -10 4 -26 39079.1 2848.08 5 -10 4 -27 2313.02 756.159 11 -10 4 -27 1801.87 647.901 5 -10 4 -28 41844.2 2842.76 5 -10 4 -29 17000 1788.11 5 -10 4 -30 25821.2 2137.63 5 -10 4 -31 2675.5 716.972 5 -10 4 -32 61440.3 2982.27 5 -10 4 -33 3071.9 649.578 5 10 -3 -32 785.353 310.089 13 10 -3 -31 1780.01 491.549 13 10 -3 -31 2013.74 594.784 14 10 -3 -30 1685.25 571.646 13 10 -3 -30 764.062 360.114 14 10 -3 -29 936.988 451.748 13 10 -3 -29 2923.33 786.349 14 10 -3 -28 2823.53 728.422 13 10 -3 -28 2762.04 824.237 14 10 -3 -27 526.575 363.14 13 10 -3 -27 617.31 494.088 14 10 -3 -26 23450 2120.88 13 10 -3 -26 25428.1 2233.04 14 10 -3 -25 12791.9 1604.87 13 10 -3 -25 14187.9 1690.6 14 10 -3 -24 14991.8 1768.92 13 10 -3 -24 14945.9 1738.32 14 10 -3 -23 1545.11 713.436 14 10 -3 -23 2156.73 757.061 7 10 -3 -22 7093.13 1193.81 14 10 -3 -22 5149.3 1027.07 7 10 -3 -21 68572.7 3508.26 7 10 -3 -21 66251.6 3494.2 14 10 -3 -20 82126.6 3779.16 7 10 -3 -20 82623.5 3843.21 14 10 -3 -19 122181 4878.25 2 10 -3 -19 138682 4833.33 7 10 -3 -19 128049 4713.45 14 10 -3 -18 54551.4 3186.39 2 10 -3 -18 56359 3053.49 7 10 -3 -18 54947.2 3019 14 10 -3 -17 19054.9 1853.73 2 10 -3 -17 20673.8 1823.66 7 10 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432.211 335.27 16 -10 3 -16 2024.86 728.63 11 -10 3 -16 1641.68 612.931 1 -10 3 -16 2298.46 624.325 5 -10 3 -16 2547.6 739.605 16 -10 3 -17 24980.4 2259.04 16 -10 3 -17 21792.2 2081.03 1 -10 3 -17 22586.5 2134.36 11 -10 3 -17 23461.7 2056 5 -10 3 -18 6537.94 1179.92 16 -10 3 -18 5801.78 1105.07 11 -10 3 -18 5475.23 1029.92 5 -10 3 -18 5124.64 1047.38 1 -10 3 -19 -83.117 398.778 16 -10 3 -19 135.496 505.526 11 -10 3 -19 392.877 407.681 5 -10 3 -19 699.448 460.382 1 -10 3 -20 48150 3225.17 16 -10 3 -20 45174.4 3146.69 11 -10 3 -20 45150.6 3006.98 5 -10 3 -21 4765.58 1061.25 11 -10 3 -21 3155.98 852.728 16 -10 3 -21 4558.08 1019.75 5 -10 3 -22 559.538 539.794 11 -10 3 -22 9.90251 382.169 5 -10 3 -23 31011.8 2615.37 11 -10 3 -23 33691.2 2664.02 5 -10 3 -24 791.661 384.922 4 -10 3 -24 397.078 440.745 11 -10 3 -24 1259.14 586.405 5 -10 3 -25 16011 1872.53 11 -10 3 -25 17057.6 1909.26 5 -10 3 -26 23033.1 2210.05 11 -10 3 -26 23719.6 2226.39 5 -10 3 -27 898.491 537.408 11 -10 3 -27 282.493 396.706 5 -10 3 -28 18148.7 1871.33 5 -10 3 -29 1389.21 573.993 5 -10 3 -30 25254.7 2101.81 5 -10 3 -31 -1805.77 600.163 5 -10 3 -32 23004.3 1807.04 5 10 -2 -33 165.152 238.745 13 10 -2 -32 168.672 234.559 13 10 -2 -32 768.676 412.035 14 10 -2 -31 -42.5944 227.663 13 10 -2 -31 -576.894 489.846 14 10 -2 -30 -194.151 356.082 13 10 -2 -30 -12.9736 290.597 14 10 -2 -29 1455.69 493.821 13 10 -2 -29 4002.17 883.773 14 10 -2 -28 6658.97 1089.71 13 10 -2 -28 6600 1138.05 14 10 -2 -27 1767.21 650.899 13 10 -2 -27 1068.45 478.121 14 10 -2 -26 15109.5 1695.32 13 10 -2 -26 16012.6 1771.6 14 10 -2 -25 29446.7 2368.94 7 10 -2 -25 28100.4 2335.28 14 10 -2 -24 23771.4 2114.24 7 10 -2 -24 21845.6 2097.59 14 10 -2 -23 34220.9 2507.49 7 10 -2 -23 31806.7 2475.15 14 10 -2 -22 75809 3674.01 7 10 -2 -22 73418.8 3691.13 14 10 -2 -21 6093.95 1130.58 14 10 -2 -21 4500.89 984.589 2 10 -2 -21 5418.55 1050.77 7 10 -2 -20 139162 4842.18 7 10 -2 -20 128946 4772.84 14 10 -2 -19 93331.2 4214.17 2 10 -2 -19 105912 4191.84 7 10 -2 -19 96375.6 4034.97 14 10 -2 -18 70034 3508.08 2 10 -2 -18 75581.4 3483.63 7 10 -2 -18 64094.9 3243.65 14 10 -2 -17 58838.6 3143.62 2 10 -2 -17 54482.3 2952.4 12 10 -2 -17 53398.9 2886.62 14 10 -2 -16 25116.8 2006.14 2 10 -2 -16 23889.1 1949 12 10 -2 -16 27279.2 2033.2 7 10 -2 -16 22023.5 1850.79 14 10 -2 -15 6041.02 966.036 2 10 -2 -15 6214.7 1039.84 12 10 -2 -15 5475.56 955.009 7 10 -2 -14 51453.5 2721.55 2 10 -2 -14 51583.2 2686.38 7 10 -2 -13 1754.74 538.358 2 10 -2 -13 1603.17 456.842 7 10 -2 -12 9820.65 1132.44 2 10 -2 -12 7737.02 1054.71 7 10 -2 -11 28556.4 1989.61 8 10 -2 -11 25346.2 1782.68 7 10 -2 -10 29194.1 1841.93 2 10 -2 -10 27164.5 1958.3 8 10 -2 -9 5804 898.772 8 10 -2 -9 6938.55 891.702 2 10 -2 -8 2125.57 514.206 2 -10 2 8 2010.49 465.128 1 10 -2 -8 2161.33 557.868 8 10 -2 -7 22825.3 1489.52 2 -10 2 7 22931.7 1465.69 1 10 -2 -6 4714.23 688.624 2 -10 2 6 5201.68 717.259 1 -10 2 5 -224.753 484.591 3 -10 2 5 533.056 243.834 1 10 -2 -5 -124.453 358.093 2 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0 -11 13731.6 1292.16 2 10 0 -10 2013.07 542.785 2 10 0 -10 1963.77 516.649 7 10 0 -10 1533.76 519.997 8 10 0 -10 1861.26 583.02 15 10 0 -9 1576.04 466.008 2 10 0 -9 1307.77 360.528 7 10 0 -9 2380.48 654.649 8 10 0 -9 1908.71 595.615 15 10 0 -8 104511 3346.66 2 10 0 -8 102777 3735.83 8 -10 0 7 1548.88 414.488 1 10 0 -7 1411.24 521.73 8 10 0 -7 1570.51 470.214 2 -10 0 6 2400.25 514.032 1 10 0 -6 2966.65 669.793 8 -10 0 5 39890 2069.03 1 10 0 -5 35722.6 2186.68 8 -10 0 4 240.285 271.36 1 10 0 -4 564.742 342.856 8 -10 0 3 46367.9 2286.07 1 -10 0 2 222.717 334.436 1 -10 0 1 300585 5906.88 1 -10 0 0 39151.4 2184.79 1 -10 0 -1 5811.07 886.179 1 -10 0 -2 48394.6 2504.83 1 10 0 2 38959.5 2307.54 8 -10 0 -3 -154.473 344.516 1 10 0 3 242.617 266.284 8 -10 0 -4 6016.01 959.236 1 10 0 4 5417.23 906.841 8 -10 0 -5 56957.8 2857.1 1 10 0 5 41815.6 2452.98 8 -10 0 -6 97140.3 3770.95 1 10 0 6 75768.5 3300.73 8 -10 0 -7 101922 3929.48 1 10 0 7 73914.2 3305.18 8 -10 0 -8 9315.76 1244.93 1 10 0 8 6141.5 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1091.81 424.221 8 -10 -2 -7 1209.16 521.727 1 10 2 8 1648.44 654.274 8 -10 -2 -8 2010.53 631.375 1 -10 -2 -9 5410.2 1087.16 1 -10 -2 -9 5022.57 979.515 11 10 2 9 4603.08 971.092 8 -10 -2 -9 3922.47 837.566 5 -10 -2 -10 13744.6 1646.6 11 -10 -2 -10 14200 1694.42 1 10 2 10 11601.6 1459.26 8 -10 -2 -10 12703.6 1513.58 5 -10 -2 -11 5576.66 1146.77 1 -10 -2 -11 5131.33 1030.67 11 -10 -2 -11 4949.36 986.161 5 -10 -2 -12 1787.52 634.702 1 -10 -2 -12 1947.4 690.623 11 -10 -2 -12 1980.79 714.411 5 -10 -2 -13 2647.23 866.736 1 -10 -2 -13 2923.92 836.872 11 -10 -2 -13 2884.96 818.953 5 -10 -2 -14 19942 2028.49 11 -10 -2 -14 21737.9 2131.53 5 -10 -2 -14 21037.1 2280.65 1 -10 -2 -15 602.19 435.879 11 -10 -2 -15 830.334 498.04 1 -10 -2 -15 831.554 530.897 5 -10 -2 -16 984.675 567.458 11 -10 -2 -16 1391.83 654.552 1 -10 -2 -16 714.617 462.164 5 -10 -2 -16 1357.47 639.553 16 -10 -2 -17 5365.79 1128.61 11 -10 -2 -17 3964.38 996.177 1 -10 -2 -17 6325.97 1160.61 5 -10 -2 -17 7019.49 1337.58 16 -10 -2 -18 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2173.33 679.946 2 10 3 -14 2277.87 639.445 8 10 3 -14 1453.67 551.032 7 10 3 -14 1771.12 672.969 15 10 3 -13 69174 3273.66 8 10 3 -13 80407.6 3415.28 7 10 3 -13 74405.9 3614.53 15 10 3 -13 78415.5 3417.84 2 10 3 -12 73688.3 3241.43 7 10 3 -12 72317.3 3329.15 8 10 3 -12 66987.7 3372.05 15 10 3 -12 75117.4 3286.46 2 10 3 -11 439.751 336.026 2 10 3 -11 889.434 453.797 7 10 3 -11 422.971 358.947 8 10 3 -11 392.145 342.433 15 10 3 -10 232.49 281.941 2 10 3 -10 793.301 428.849 8 10 3 -10 408.306 342.243 15 10 3 -9 3215.47 783.158 8 10 3 -9 2569.14 643.022 15 10 3 -9 3008.63 614.18 2 10 3 -8 25504.8 2002.86 8 -10 -3 7 4248.7 800.756 1 10 3 -7 5930.19 997.35 8 10 3 -6 8582.3 1232.32 8 -10 -3 6 8931.79 1142.48 1 10 3 -5 35009.6 2326.4 8 -10 -3 5 32777.5 2122.93 1 10 3 -4 6398.57 1010.49 8 -10 -3 4 8023.19 1104.47 1 10 3 -3 21416.9 1835.39 8 -10 -3 3 21107.2 1735.71 1 10 3 -2 11446.4 1395.06 8 -10 -3 2 12695.1 1377.09 1 -10 -3 1 94339.5 3757.05 1 10 3 -1 91203 3803.86 8 -10 -3 0 18903.8 1719.21 1 10 3 0 17792.4 1747.95 8 -10 -3 -1 6608.75 1037.38 1 10 3 1 7431.2 1144.6 8 -10 -3 -2 18436.1 1758.16 1 10 3 2 17437.2 1730.66 8 -10 -3 -3 7833.32 1184.64 1 10 3 3 7156.49 1158.45 8 -10 -3 -4 3244.38 806.139 1 10 3 4 2426.62 725.538 8 -10 -3 -5 4906.36 984.218 1 10 3 5 4349.84 897.512 8 -10 -3 -6 2415.65 729.648 1 10 3 6 2020.32 661.682 8 -10 -3 -7 1661.36 628.375 1 -10 -3 -7 1861.08 695.031 11 10 3 7 2391.23 770.828 8 -10 -3 -8 61.2037 404.732 1 -10 -3 -8 454.757 477.796 11 10 3 8 608.422 532.421 8 -10 -3 -9 6844.23 1271.51 1 -10 -3 -9 7434.63 1246.68 11 10 3 9 5375.24 997.003 8 -10 -3 -10 2165.35 828.249 1 -10 -3 -10 628.116 494.543 11 10 3 10 1964.39 579.323 8 -10 -3 -10 1008.39 390.259 5 -10 -3 -11 6237.38 1181.04 11 10 3 11 7039.74 1187.95 8 -10 -3 -11 6218.88 1155.39 5 -10 -3 -11 8038.44 1383.04 1 -10 -3 -12 39313.6 2806.39 11 -10 -3 -12 42620.4 2963 5 -10 -3 -12 42113.1 3169.36 1 -10 -3 -13 6015.27 1125.67 11 -10 -3 -13 6341.46 1313.28 1 -10 -3 -13 5951.59 1174.57 5 -10 -3 -14 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219.468 14 10 4 -31 1326.28 441.453 7 10 4 -30 76.6007 301.48 14 10 4 -30 410.112 365.045 7 10 4 -29 897.653 482.428 14 10 4 -29 441.397 390.546 7 10 4 -28 2265.62 656.556 14 10 4 -28 1465.61 491.665 7 10 4 -27 348.584 325.479 14 10 4 -27 128.528 385.954 15 10 4 -27 445.273 423.416 7 10 4 -26 5044.25 957.991 14 10 4 -26 5790.47 987.784 7 10 4 -26 6880.91 1198.77 15 10 4 -25 -535.118 498.206 14 10 4 -25 -173.377 439.914 7 10 4 -25 -511.847 671.969 15 10 4 -24 -642.105 577.735 7 10 4 -24 -445.329 641.755 15 10 4 -23 2103.26 652.383 7 10 4 -23 2139.87 802.177 15 10 4 -22 7022.52 1180.81 7 10 4 -22 7945.59 1293.7 15 10 4 -21 3973.55 901.543 7 10 4 -21 3623.8 944.568 15 10 4 -20 11755.5 1610.03 2 10 4 -20 15491.7 1657.45 7 10 4 -20 16520 1884.58 15 10 4 -19 -429.426 612.695 2 10 4 -19 -1113.29 758.221 7 10 4 -19 -989.625 810.231 15 10 4 -18 2545.67 806.218 2 10 4 -18 1749.64 392.809 7 10 4 -18 2685.22 822.06 15 10 4 -17 233.728 378.201 7 10 4 -17 632.426 510.2 2 10 4 -17 167.112 513.695 15 10 4 -16 15190 1696.63 2 10 4 -16 15549.7 1594.62 7 10 4 -16 16740.8 1818.9 15 10 4 -15 2672.41 765.04 2 10 4 -15 3739.39 826.029 7 10 4 -15 2909.29 655.864 8 10 4 -15 1678.12 506.512 15 10 4 -14 4721.43 885.611 7 10 4 -14 3996.7 851.163 2 10 4 -14 4357.98 861.98 8 10 4 -14 4096.18 903.009 15 10 4 -13 10171 1259.41 7 10 4 -13 9550.68 1248.96 8 10 4 -13 7315.19 1182.18 15 10 4 -13 8809.13 1206.01 2 10 4 -12 262.402 280.639 2 10 4 -12 -12.4697 341.937 8 10 4 -12 -82.0798 369.133 7 10 4 -12 92.5822 437.161 15 10 4 -11 5823.37 973.84 8 10 4 -11 6198.55 1020.43 2 10 4 -11 4040.72 849.04 15 10 4 -10 756.155 392.554 2 10 4 -10 1238.05 525.515 8 10 4 -10 555.684 283.986 15 10 4 -9 403.954 355.937 8 10 4 -9 55.5013 303.919 15 10 4 -9 662.683 294.59 2 10 4 -8 3840.79 869.807 8 10 4 -7 49366.8 2920.68 8 10 4 -6 7730.5 1182.92 8 -10 -4 6 6917.85 1052.94 1 10 4 -5 4878.46 955.647 8 -10 -4 5 5921.23 962.036 1 10 4 -4 7257.52 1099.14 8 -10 -4 4 7336.67 1101.24 1 10 4 -3 6414.66 1070.96 8 -10 -4 3 7086.72 1056.38 1 10 4 -2 7089.29 1102.39 8 -10 -4 2 7493.91 1134.14 1 -10 -4 1 2132.89 655.687 1 10 4 -1 2424.28 673.661 8 -10 -4 0 85.626 371.253 1 10 4 0 377.686 433.07 8 10 4 1 32424.2 2405.49 8 -10 -4 -1 29650.8 2300.11 1 10 4 2 56602.6 3224.88 8 -10 -4 -2 58849 3254.54 1 -10 -4 -3 704.42 478.523 1 10 4 3 862.421 560.262 8 -10 -4 -4 69.1723 387.814 1 10 4 4 507.623 397.292 8 -10 -4 -5 4651.16 1016.55 1 10 4 5 3797.51 894.994 8 -10 -4 -6 27601.9 2287.99 11 10 4 6 32015.1 2516.88 8 -10 -4 -6 32703.8 2604.49 1 -10 -4 -7 9411.92 1346.48 11 10 4 7 9980.43 1406.29 8 -10 -4 -7 10837.5 1494.87 1 -10 -4 -8 4994.68 1051.39 11 -10 -4 -8 3487.84 945.227 1 10 4 8 3463.11 777.767 8 -10 -4 -9 3936.22 912.215 11 -10 -4 -9 2381.6 824.592 1 10 4 9 3324.21 875.249 8 -10 -4 -10 2641.69 800.041 11 -10 -4 -10 3150.05 944.272 1 10 4 10 3185.57 813.377 8 -10 -4 -10 2517.04 781.113 5 -10 -4 -11 9053.22 1401.87 11 10 4 11 8569.98 1342.78 8 -10 -4 -11 9824.27 1477.16 5 -10 -4 -11 10733.1 1650.98 1 -10 -4 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10 5 -14 24959.4 2131.19 2 10 5 -14 32254.6 2290.86 7 10 5 -14 26945.9 2141 8 10 5 -14 25989.7 2236.94 15 10 5 -13 3692.45 860.614 2 10 5 -13 3596.64 816.673 7 10 5 -13 3406.03 827.023 8 10 5 -13 3573.73 870.805 15 10 5 -12 18446.9 1808.19 8 10 5 -12 15634.8 1680.5 15 10 5 -12 16850.1 1698.63 2 10 5 -11 453.739 457.216 2 10 5 -11 86.1324 441.13 8 10 5 -11 225.26 316.73 15 10 5 -10 35560 2575.76 8 10 5 -10 32317 2290.77 2 10 5 -9 236.687 445.83 8 10 5 -9 358.517 373.404 2 10 5 -8 63453.6 3397.25 8 10 5 -7 32016.6 2430.36 8 -10 -5 6 1080.28 505.5 1 10 5 -6 899.564 493.33 8 -10 -5 5 169.231 328.613 1 10 5 -5 -165.521 506.973 8 10 5 -4 2006.1 605.899 8 -10 -5 4 1246.37 549.939 1 -10 -5 3 20312 1876.65 1 10 5 -3 19467.6 1926.98 8 -10 -5 2 21407 1954.93 1 10 5 -2 23332.9 2079.24 8 -10 -5 1 16243.1 1763.55 1 10 5 -1 15630.2 1722.67 8 -10 -5 0 1592.72 616.897 1 10 5 0 1635.12 619.534 8 10 5 1 47812.7 3030.75 8 -10 -5 -1 48984.8 3032.61 1 -10 -5 -2 4756.77 1062.87 1 10 5 2 5050.6 1031.99 8 10 5 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-16 5625.78 1163.53 16 -12 -4 -17 -501.228 470.93 11 -12 -4 -17 -110.776 318.035 5 -12 -4 -17 -208.704 551.767 16 -12 -4 -18 7394.05 1189.78 11 -12 -4 -18 8557.04 1388.31 5 -12 -4 -18 7973.47 1278.36 16 -12 -4 -19 -229.912 287.361 11 -12 -4 -19 450.806 371.917 5 -12 -4 -19 371.65 334.215 16 -12 -4 -20 602.712 493.922 11 -12 -4 -20 -438.6 498.282 5 -12 -4 -20 128.509 324.668 16 -12 -4 -21 1630.26 579.616 5 -12 -4 -22 1024.22 351.336 5 -12 -4 -23 7336.13 1080.64 5 -12 -4 -24 12828.6 1349.27 5 12 5 -31 187.065 196.856 7 12 5 -30 1319.27 455.247 7 12 5 -29 2738.61 637.205 7 12 5 -28 10217.8 1207.15 7 12 5 -27 1273.13 512.653 7 12 5 -26 11378 1372.95 7 12 5 -25 5846.91 1008.11 7 12 5 -24 1831.74 542.903 7 12 5 -23 11807.2 1472.27 7 12 5 -23 12738.3 1715.51 15 12 5 -22 5999.22 1054.32 7 12 5 -22 6865.94 1257.47 15 12 5 -21 112.215 366.27 7 12 5 -21 120.883 466.964 15 12 5 -20 59622.4 3303.81 7 12 5 -20 57543 3560.81 15 12 5 -19 1200.24 516.29 7 12 5 -19 1883.66 714.802 15 12 5 -18 65612.6 3511.2 7 12 5 -18 64202 3689.43 15 12 5 -17 568.47 407.558 7 12 5 -17 1893.44 707.93 15 12 5 -16 43371.4 2757.07 8 12 5 -16 50875.1 3113.48 7 12 5 -16 49464.5 3198.32 15 12 5 -15 28764.5 2313.91 8 12 5 -15 28430 2326.21 7 12 5 -15 27497.8 2391.66 15 12 5 -14 14340.7 1669.64 8 12 5 -14 12738.6 1536.91 7 12 5 -14 11530 1530.01 15 12 5 -13 3676.18 952.491 2 12 5 -13 4801.08 1051.51 8 12 5 -13 4423.71 968.926 7 12 5 -13 4612.28 1027.55 15 12 5 -12 33131.1 2559.8 8 12 5 -12 32124.8 2453.87 7 12 5 -11 -164.687 497.801 2 12 5 -11 1660.25 666.522 8 12 5 -11 1530.05 697.755 7 12 5 -10 1331.68 686.505 2 12 5 -10 2564.69 835.583 8 12 5 -9 1610.74 708.847 2 12 5 -9 704.742 467.338 8 12 5 -8 43516.3 3046.12 8 12 5 -8 35861 2675.39 2 12 5 -7 448.407 540.346 8 12 5 -6 10082.5 1517.55 8 12 5 -5 13523.5 1702.48 8 -12 -5 4 654.668 585.526 1 12 5 -4 216.88 653.097 8 12 5 -3 367.731 513.12 8 -12 -5 3 -52.8017 451.995 1 -12 -5 2 14296.2 1798.91 1 12 5 -2 18553.3 2021.82 8 12 5 -1 3500.54 911.61 8 -12 -5 1 1485.19 643.279 1 12 5 0 1224.31 812.657 8 -12 -5 0 860.689 470.535 1 -12 -5 -1 61877.7 3801.52 1 12 5 1 73060.9 4035.85 8 -12 -5 -2 21206.1 2266.93 1 12 5 2 28139.3 2544.33 8 -12 -5 -3 15025.6 1953.74 1 12 5 3 17627.7 2045.75 8 -12 -5 -4 35036.4 2998.53 1 12 5 4 42501.9 3139.96 8 12 5 5 12100.3 1729.68 8 -12 -5 -5 8581.8 1564.34 1 12 5 6 1038.06 661.981 8 12 5 7 36103.5 2910.1 8 12 5 8 -341.525 598.338 8 -12 -5 -8 190.442 439.698 5 -12 -5 -9 1703.75 690.024 11 12 5 9 1265.39 742.098 8 -12 -5 -9 436.746 438.23 5 -12 -5 -10 579.965 445.532 11 12 5 10 1895.36 757.382 8 -12 -5 -10 1596.14 660.022 5 -12 -5 -11 14197.5 1723.93 11 12 5 11 14939.4 1854.19 8 -12 -5 -11 13465.9 1663.78 5 -12 -5 -12 2911.14 869.367 11 -12 -5 -12 3614.26 857.97 5 -12 -5 -13 766.727 446.915 11 -12 -5 -13 -72.7722 434.481 5 -12 -5 -14 1096.22 503.939 11 -12 -5 -14 1972.24 691.222 5 -12 -5 -15 5300.98 982.73 11 -12 -5 -15 5981.96 1126.77 5 -12 -5 -15 6038.64 1188.42 16 -12 -5 -16 890.092 437.319 11 -12 -5 -16 1707.11 615.128 5 -12 -5 -16 239.35 387.807 16 -12 -5 -17 -1189.75 506.834 11 -12 -5 -17 -443.462 495.453 5 -12 -5 -17 62.3054 386.419 16 -12 -5 -18 81.4539 273.804 11 -12 -5 -18 859.038 507.293 5 -12 -5 -18 615.284 397.154 16 -12 -5 -19 -1277.69 560.04 5 -12 -5 -19 -87.0046 249.326 16 -12 -5 -20 2526.33 713.853 5 -12 -5 -21 -458.703 491.009 5 -12 -5 -22 497.399 262.804 5 -12 -5 -23 6.38283 283.451 5 12 6 -30 863.513 409.048 7 12 6 -29 -417.577 314.754 7 12 6 -28 -293.636 369.627 7 12 6 -27 4960.37 863.054 7 12 6 -26 2516.04 637.866 7 12 6 -25 2705.57 735.755 7 12 6 -24 -119.961 414.845 7 12 6 -23 5781.4 1049.36 7 12 6 -23 5048.22 1067.45 15 12 6 -22 17241.9 1775.58 7 12 6 -22 16057.8 1872.44 15 12 6 -21 1016.8 531.868 7 12 6 -21 1932.81 763.546 15 12 6 -20 29025.4 2323.99 7 12 6 -20 28222.1 2469.42 15 12 6 -19 13137 1574.36 7 12 6 -19 12839 1649.62 15 12 6 -18 19196.7 1918.96 7 12 6 -18 17884.3 1958.16 15 12 6 -17 -430.158 501.789 7 12 6 -17 229.674 355.853 15 12 6 -16 12803.2 1550.26 8 12 6 -16 15123.8 1778.81 7 12 6 -16 12864.7 1647.59 15 12 6 -15 12451.1 1595.63 8 12 6 -15 13131.7 1628.62 7 12 6 -15 11885.1 1585.62 15 12 6 -14 5610.39 1091.06 8 12 6 -14 7144.56 1200.94 7 12 6 -14 5019.87 1032.11 15 12 6 -13 11696 1577.96 8 12 6 -13 11353.5 1451.92 7 12 6 -12 12917.9 1706.34 8 12 6 -12 13287.9 1628.6 7 12 6 -11 512.727 394.074 7 12 6 -11 974.178 614.274 8 12 6 -10 2535.23 679.395 2 12 6 -10 2969.63 870.666 8 12 6 -9 -741.943 561.244 2 12 6 -9 -1412.79 684.539 8 12 6 -8 11813.9 1661.75 8 12 6 -8 8934.13 1383.25 2 12 6 -7 21553.7 2151.35 2 12 6 -7 26504.4 2456.32 8 12 6 -6 3475.52 877.283 8 12 6 -5 2751.03 873.118 8 12 6 -4 8641.78 1439.41 8 -12 -6 3 -167.81 410.546 1 12 6 -3 -483.99 745.366 8 -12 -6 2 7692.23 1368.42 1 12 6 -2 8649.85 1483.65 8 -12 -6 1 11126.4 1635.84 1 12 6 -1 14361.7 1892.59 8 -12 -6 0 44.0088 579.32 1 12 6 0 189.345 579.374 8 -12 -6 -1 3807.23 1029.46 1 12 6 1 4268.11 1077.92 8 -12 -6 -2 -297.946 639.426 1 12 6 2 -321.345 612.64 8 12 6 3 9133.97 1506.2 8 12 6 4 684.28 581.631 8 12 6 5 12421.6 1756.18 8 12 6 6 243.619 492.155 8 12 6 7 24898.5 2434.51 8 12 6 8 875.28 552.97 8 -12 -6 -8 2122.78 769.326 5 12 6 9 1579.06 765.839 8 -12 -6 -9 1598.9 587.909 5 12 6 10 15302.3 1871.29 8 -12 -6 -10 15863.4 1812.3 5 12 6 11 -491.533 620.132 8 -12 -6 -11 1235.08 488.2 5 -12 -6 -12 780.729 379.781 5 -12 -6 -13 533.397 403.269 5 -12 -6 -14 973.67 560.126 5 -12 -6 -15 685.678 451.349 5 -12 -6 -15 959.643 452.049 16 -12 -6 -16 447.206 315.795 5 -12 -6 -16 -54.5199 395.993 16 -12 -6 -17 -1013.85 511.252 5 -12 -6 -17 294.593 277.469 16 -12 -6 -18 10017.9 1231.71 16 -12 -6 -18 13840.1 1573.8 5 -12 -6 -19 11762.5 1386.21 5 -12 -6 -20 643.301 362.287 5 -12 -6 -21 -517.611 508.657 5 12 7 -29 -315.564 354.782 7 12 7 -28 5903.13 889.436 7 12 7 -27 282.719 282.901 7 12 7 -26 -434.378 491.238 7 12 7 -25 2617.41 701.894 7 12 7 -24 -183.905 358.026 7 12 7 -24 -845.202 589.749 15 12 7 -23 16210.5 1681.11 7 12 7 -23 16895 1867.65 15 12 7 -22 167.847 326.031 7 12 7 -22 -177.28 512.07 15 12 7 -21 10936.6 1426.21 7 12 7 -21 10260 1503.23 15 12 7 -20 3358.3 836.169 7 12 7 -20 2823.36 831.915 15 12 7 -19 6859.49 1154.27 7 12 7 -19 6565.1 1179.85 15 12 7 -18 1929.35 680.963 7 12 7 -18 2775.72 764.965 15 12 7 -17 -385.742 618.298 7 12 7 -17 386.018 417.323 15 12 7 -16 53154.1 3264.06 7 12 7 -16 39340.8 2805.12 15 12 7 -15 981.584 590.404 8 12 7 -15 749.046 502.141 7 12 7 -14 4629.19 983.452 8 12 7 -14 4110.64 971.556 7 12 7 -13 -81.5558 512.954 8 12 7 -13 -800.977 671.713 7 12 7 -12 1437.91 623.94 8 12 7 -12 1269.49 530.532 7 12 7 -11 5671.65 1093.83 8 12 7 -10 8260.76 1465 8 12 7 -9 1522 684.51 8 12 7 -8 9673.26 1508.25 8 12 7 -7 5227.1 1148.87 8 12 7 -6 25014.2 2461.51 8 12 7 -5 589.54 549.946 8 12 7 -4 32366 2793.54 8 12 7 -3 23117.4 2367.8 8 12 7 -2 26988.7 2568.66 8 12 7 -1 9050.39 1517.94 8 12 7 0 385.155 659.056 8 12 7 1 10862.2 1710.17 8 12 7 2 5623.45 1256.35 8 12 7 3 1098.94 668.796 8 12 7 4 -558.191 801.015 8 12 7 5 4358.97 1085.65 8 12 7 6 -160.196 616.923 8 12 7 7 9019.53 1474.55 8 -12 -7 -7 7129.64 1201.14 5 12 7 8 646.835 558.451 8 -12 -7 -8 582.007 504.222 5 12 7 9 2298.63 739.962 8 -12 -7 -9 2417.3 688.388 5 12 7 10 264.318 563.47 8 -12 -7 -10 578.789 335.216 5 12 7 11 -922.002 605.75 8 -12 -7 -11 -470.905 490.374 5 -12 -7 -12 -89.8582 333.115 5 -12 -7 -13 5925.83 1081.87 5 -12 -7 -14 846.726 492.646 5 -12 -7 -14 172.68 354.674 16 -12 -7 -15 -450.549 407.922 5 -12 -7 -15 755.676 383.916 16 -12 -7 -16 -1.66005 336.489 5 -12 -7 -16 -49.8737 216.009 16 -12 -7 -17 1582.4 535.195 5 -12 -7 -17 1828.77 528.11 16 -12 -7 -18 5024.68 910.044 5 -12 -7 -19 -192.691 337.603 5 -12 -7 -20 1585.69 460.655 5 12 8 -28 -279.43 338.797 7 12 8 -27 -595.729 363.196 7 12 8 -26 4995.19 857.368 7 12 8 -25 1859.96 610.982 7 12 8 -24 2791.49 698.181 7 12 8 -23 6787.53 1070.7 7 12 8 -23 6067.86 1085.4 15 12 8 -22 -491.965 535.312 7 12 8 -22 -588.5 505.429 15 12 8 -21 57.5346 367.95 7 12 8 -21 -234.848 488.038 15 12 8 -20 4818.28 980.226 7 12 8 -20 3898.73 894.322 15 12 8 -19 6880.05 1163.51 7 12 8 -19 6910.75 1173.56 15 12 8 -18 6563.21 1214.18 7 12 8 -18 6408.39 1138.18 15 12 8 -17 21116.4 2046.23 7 12 8 -17 16010.4 1752.47 15 12 8 -16 23594.8 2188.01 7 12 8 -15 5368.44 1028.84 8 12 8 -15 4177.36 960.965 7 12 8 -14 5527.13 1060.16 8 12 8 -14 6018.48 1044.19 7 12 8 -13 369.041 338.341 8 12 8 -13 218.701 466.901 7 12 8 -12 1849.4 646.148 8 12 8 -12 1011.66 421.993 7 12 8 -11 -472.521 473.367 8 12 8 -10 239.078 479.707 8 12 8 -9 618.393 451.328 8 12 8 -8 1101.22 557.488 8 12 8 -7 14147.3 1869.79 8 12 8 -6 1537.16 716.342 8 12 8 -5 1773.4 696.96 8 12 8 -4 4205.66 1047.87 8 12 8 -3 -1206.27 870.363 8 12 8 -2 16828.8 2058.99 8 12 8 -1 7015.24 1345.32 8 12 8 0 9098.43 1546.6 8 12 8 1 3226.31 1036.39 8 12 8 2 5820.36 1208.34 8 12 8 3 -837.543 796.882 8 12 8 4 6309.78 1245.07 8 12 8 5 -154.011 571.211 8 12 8 6 3268.69 958.723 8 12 8 7 4288.39 1047.98 8 -12 -8 -7 3002.19 792.957 5 12 8 8 1982.96 745.68 8 -12 -8 -8 1695.56 622.736 5 12 8 9 6.29091 358.039 8 -12 -8 -9 -345.783 393.07 5 12 8 10 -52.3318 409.118 8 -12 -8 -10 -339.221 489.225 5 12 8 11 2604.15 775.168 8 -12 -8 -11 3231.27 857.839 5 -12 -8 -12 6965.55 1144.09 5 -12 -8 -13 23030.9 2027.19 5 -12 -8 -14 4900.95 933.723 5 -12 -8 -14 4165.53 869.05 16 -12 -8 -15 5499 996.216 5 -12 -8 -15 3506.53 721.856 16 -12 -8 -16 4543.33 847.753 5 -12 -8 -17 2394.32 656.652 5 -12 -8 -18 9379.23 1125.38 5 12 9 -27 4345.77 742.791 7 12 9 -26 -36.9457 293.942 7 12 9 -25 170.263 303.349 7 12 9 -24 2463.87 594.471 7 12 9 -23 2013.56 605.009 7 12 9 -23 2323.32 669.897 15 12 9 -22 494.24 277.407 7 12 9 -22 130.093 259.92 15 12 9 -21 -224.45 349.35 7 12 9 -21 -122.435 232.427 15 12 9 -20 7673.16 1174.15 7 12 9 -20 6724.52 1119.83 15 12 9 -19 7223.7 1192.64 7 12 9 -19 4636.67 916.087 15 12 9 -18 1476.66 566.274 7 12 9 -17 13180.5 1601.19 7 12 9 -16 205.689 491.959 7 12 9 -15 -532.521 615.922 7 12 9 -15 135.911 338.181 8 12 9 -14 -525.099 460.239 8 12 9 -14 19.2706 522.013 7 12 9 -13 1455.13 556.672 8 12 9 -13 1814.99 615.93 7 12 9 -12 -1249.54 619.981 7 12 9 -12 -539.425 753.027 8 12 9 -11 152.449 417.293 8 12 9 -10 -193.043 563.428 8 12 9 -9 -147.36 595.407 8 12 9 -8 5781.65 1242.54 8 12 9 -7 168.678 496.453 8 12 9 -6 8773.28 1487.94 8 12 9 -5 160.444 477.733 8 12 9 -4 5938.96 1237.52 8 12 9 -3 -107.042 619.697 8 12 9 -2 1077.78 665.354 8 12 9 -1 4912.27 1101.84 8 12 9 0 2931.52 843.732 8 12 9 1 344.45 469.387 8 12 9 2 3505.39 954.136 8 12 9 3 4028.83 1097.62 8 12 9 4 1135.55 599.758 8 12 9 5 10513.6 1593.73 8 12 9 6 4842.99 1099.61 8 -12 -9 -6 3885.19 880.73 5 12 9 7 7456.94 1349.14 8 -12 -9 -7 6841.89 1143.37 5 12 9 8 166.778 468.117 8 -12 -9 -8 -546.026 406.002 5 12 9 9 4364.1 1015.91 8 -12 -9 -9 4911.23 914.328 5 12 9 10 933.785 504.549 8 -12 -9 -10 1428.46 539.162 5 12 9 11 3211.39 807.324 8 -12 -9 -11 3876.41 834.555 5 -12 -9 -12 30498.1 2204.84 5 -12 -9 -13 565.764 410.833 5 -12 -9 -13 -942.092 415.911 16 -12 -9 -14 23269.2 1841.78 5 -12 -9 -14 14628 1390.57 16 -12 -9 -15 7405.29 996.881 5 -12 -9 -16 7238.02 977.779 5 12 10 -26 3619.47 659.3 7 12 10 -25 7571.87 1012.14 7 12 10 -24 5215.32 839.094 7 12 10 -23 421.875 339.757 7 12 10 -22 -202.934 307.651 7 12 10 -21 4694.85 902.206 7 12 10 -20 1666.13 581.229 7 12 10 -19 963.727 452.378 7 12 10 -18 205.19 371.413 7 12 10 -17 229.054 354.472 7 12 10 -16 3616.88 913.715 7 12 10 -15 6044.71 1036.05 8 12 10 -15 9400.12 1367.53 7 12 10 -14 692.866 463.512 8 12 10 -14 1665.31 650.093 7 12 10 -13 4392.02 993.192 8 12 10 -13 5213.62 1057.13 7 12 10 -12 452.939 415.712 7 12 10 -12 1244.9 679.841 8 12 10 -11 -979.686 572.952 8 12 10 -10 -497.273 604.045 8 12 10 -9 306.612 380.487 8 12 10 -8 -227.35 481.576 8 12 10 -7 -626.204 543.116 8 12 10 -6 -1102.83 739.599 8 12 10 -5 1067.42 661.48 8 12 10 -4 3254.81 993.076 8 12 10 -3 872.994 615.686 8 12 10 -2 1031.38 608.043 8 12 10 -1 4678.55 1108.92 8 12 10 0 1939.53 801.513 8 12 10 1 6377.28 1261.47 8 12 10 2 2996.35 975.393 8 12 10 3 4568.33 1097.32 8 12 10 4 834.836 402.802 8 12 10 5 1906.22 727.933 8 12 10 6 -360.212 456.407 8 -12 -10 -6 -16.1038 339.553 5 12 10 7 203.88 310.606 8 -12 -10 -7 -203.887 367.655 5 12 10 8 -902.639 500.739 8 -12 -10 -8 699.117 415.751 5 12 10 9 307.434 294.293 8 -12 -10 -9 -533.368 499.135 5 12 10 10 -613.682 398.172 8 -12 -10 -10 783.864 440.594 5 -12 -10 -11 5909.08 953.614 5 -12 -10 -12 3219.93 703.132 5 -12 -10 -12 2168.26 550.742 16 -12 -10 -13 7836.74 1013.22 5 -12 -10 -14 1806.17 502.972 5 12 11 -24 17952.8 1459.57 7 12 11 -23 482.289 295.163 7 12 11 -22 3463.18 725.053 7 12 11 -21 330.083 364.533 7 12 11 -20 648.257 349.349 7 12 11 -19 1868.47 616.47 7 12 11 -18 90.2191 358.709 7 12 11 -17 1556.85 547.233 7 12 11 -16 16528.2 1714.35 7 12 11 -15 839.759 659.246 7 12 11 -14 8901 1251.51 8 12 11 -14 13867.8 1632.3 7 12 11 -13 2980.38 772.498 8 12 11 -13 3321.74 914.702 7 12 11 -12 915.294 446.742 8 12 11 -12 -520.168 470.145 7 12 11 -11 575.666 423.327 8 12 11 -11 1756.42 652.614 7 12 11 -10 -192.184 357.604 8 12 11 -9 -177.805 516.17 8 12 11 -8 -287.491 463.464 8 12 11 -7 15916.6 1878.05 8 12 11 -6 301.268 557.514 8 12 11 -5 2190.62 746.4 8 12 11 -4 2553.99 786.471 8 12 11 -3 4396.4 1005.35 8 12 11 -2 -460.274 642.355 8 12 11 -1 2655.82 920.877 8 12 11 0 8913.99 1460.13 8 12 11 1 3321.06 920.738 8 12 11 2 23457.7 2197.73 8 12 11 3 1175.27 498.034 8 12 11 4 6036.31 1115.45 8 12 11 5 1114.71 522.021 8 -12 -11 -5 309.94 229.143 5 12 11 6 307.938 362.94 8 -12 -11 -6 -2.84165 354.398 5 12 11 7 -826.305 454.808 8 -12 -11 -7 -172.48 352.962 5 12 11 8 332.683 265.273 8 -12 -11 -8 514.481 244.505 5 12 11 9 1350.77 485.153 8 -12 -11 -9 1560.15 488.099 5 -12 -11 -10 2009.69 550.474 5 -12 -11 -11 1954.56 512.552 5 12 12 -22 -588.329 357.989 7 12 12 -21 3151.91 670.038 7 12 12 -20 126.465 244.14 7 12 12 -19 568.236 346.363 7 12 12 -18 1503.87 510.32 7 12 12 -17 -411.005 364.874 7 12 12 -16 152.149 255.803 7 12 12 -15 998.84 496.061 7 12 12 -14 86.7604 255.795 8 12 12 -14 973.673 452.652 7 12 12 -13 373.774 323.024 8 12 12 -13 -50.9788 378.925 7 12 12 -12 -53.2771 334.559 8 12 12 -12 -418.224 455.592 7 12 12 -11 1284.12 513.539 7 12 12 -11 986.418 417.939 8 12 12 -10 -614.242 455.344 8 12 12 -10 141.53 332.634 7 12 12 -9 3975.18 868.062 8 12 12 -8 -22.3652 367.624 8 12 12 -7 -425.373 564.321 8 12 12 -6 740.749 421.103 8 12 12 -5 1215.74 642.09 8 12 12 -4 1577.41 607.925 8 12 12 -3 16668.3 1836.85 8 12 12 -2 1974.22 610.346 8 12 12 -1 5232.37 1024.1 8 12 12 0 6817.13 1113.32 8 12 12 1 936.512 524.565 8 12 12 2 763.658 438.388 8 12 12 3 -37.9976 289.258 8 -12 -12 -3 -309.686 318.282 5 12 12 4 3495.11 796.11 8 -12 -12 -4 2361.96 560.691 5 12 12 5 -671.514 425.583 8 -12 -12 -5 -784.375 374.309 5 -12 -12 -6 -516.861 309.732 5 12 12 7 667.788 306.416 8 -12 -12 -7 -10.3671 160.675 5 -12 -12 -8 621.147 307.871 5 12 13 -19 1093.18 401.8 7 12 13 -18 2623.54 605.344 7 12 13 -17 1032.28 403.932 7 12 13 -16 789.827 395.52 7 12 13 -15 604.054 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466.996 6 -22 9 -1 2730.92 692.679 6 -22 9 -2 499.821 384.996 6 -22 9 -3 851.527 441.496 6 -22 9 -4 -327.162 307.451 6 -22 9 -5 3324.39 760.318 6 -22 9 -5 4663.58 918.657 11 -22 9 -6 854.469 554.619 11 -22 9 -7 -346.095 394.166 11 -22 9 -8 3235.4 743.938 11 -22 9 -9 339.778 319.905 11 -22 9 -10 8173.62 1115.35 11 -22 8 10 3736.64 788.849 6 -22 8 9 2902.85 710.536 6 22 -8 -8 634.722 435.134 12 -22 8 8 231.775 304.661 6 22 -8 -7 4788.87 899.286 12 -22 8 7 5835.84 976.622 6 22 -8 -6 200.401 259.915 12 -22 8 6 1365.94 495.605 6 22 -8 -5 1078.08 501.608 12 -22 8 5 1699.98 568.592 6 22 -8 -4 -276.668 311.688 12 -22 8 4 -357.474 431.859 6 22 -8 -3 765.703 461.503 12 -22 8 3 586.644 456.983 6 -22 8 2 769.675 409.463 6 -22 8 1 826.304 427.227 6 -22 8 0 14.7296 336.774 6 -22 8 -1 1125.52 499.181 6 -22 8 -2 789.724 439.03 6 -22 8 -3 326.27 327.699 6 -22 8 -4 123.956 252.837 6 -22 8 -4 738.975 433.154 11 -22 8 -5 1311.13 494.486 6 -22 8 -5 985.381 467.688 11 -22 8 -6 7577.98 1104.83 11 -22 8 -7 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497.812 11 22 -2 -7 5241.64 878.166 12 22 -2 -6 905.82 440.523 12 22 -2 -5 6589.04 981.414 12 22 -2 -4 622.498 419.602 12