#------------------------------------------------------------------------------ #$Date: 2024-09-28 01:53:41 +0300 (Sat, 28 Sep 2024) $ #$Revision: 294930 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/27/1572713.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_1572713 _journal_paper_doi 10.1039/D4DT02179G _chemical_formula_moiety 'C49 H53 Dy N2 O6' _chemical_formula_sum 'C49 H53 Dy N2 O6' _chemical_formula_weight 928.43 _space_group_crystal_system hexagonal _space_group_IT_number 169 _space_group_name_Hall 'P 61' _space_group_name_H-M_alt 'P 61' _atom_sites_solution_hydrogens geom _audit_creation_date 2024-07-11 _audit_creation_method ; Olex2 1.3 (compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003) ; _audit_update_record ; 2024-07-11 deposited with the CCDC. 2024-09-27 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 12.3790(7) _cell_length_b 12.3790(7) _cell_length_c 51.501(4) _cell_measurement_reflns_used 9541 _cell_measurement_temperature 300(2) _cell_measurement_theta_max 26.31 _cell_measurement_theta_min 2.24 _cell_volume 6834.7(8) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 300.15 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0356 _diffrn_reflns_av_unetI/netI 0.0289 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 63 _diffrn_reflns_limit_l_min -64 _diffrn_reflns_number 59205 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.984 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.373 _diffrn_reflns_theta_min 1.900 _diffrn_source_current 1.4 _diffrn_source_power 0.07 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.688 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_correction_T_min 0.6650 _exptl_absorpt_correction_type none _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0877 before and 0.0637 after correction. The Ratio of minimum to maximum transmission is 0.8921. The \l/2 correction factor is Not present. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.353 _exptl_crystal_description block _exptl_crystal_F_000 2850 _refine_diff_density_max 0.204 _refine_diff_density_min -0.397 _refine_diff_density_rms 0.039 _refine_ls_abs_structure_details ; Flack x determined using 3952 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.003(3) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.058 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 592 _refine_ls_number_reflns 9181 _refine_ls_number_restraints 175 _refine_ls_restrained_S_all 1.067 _refine_ls_R_factor_all 0.0234 _refine_ls_R_factor_gt 0.0207 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0175P)^2^+0.5903P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0435 _refine_ls_wR_factor_ref 0.0445 _reflns_Friedel_coverage 0.954 _reflns_Friedel_fraction_full 0.996 _reflns_Friedel_fraction_max 0.972 _reflns_number_gt 8671 _reflns_number_total 9181 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4dt02179g2.cif _cod_data_source_block qyy_1_pl _cod_original_cell_volume 6834.7(9) _cod_database_code 1572713 _shelx_shelxl_version_number 2019/1 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Rigid bond restraints C10, C11, C12, C13, C11A, C12A, C13A with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02 C23, C24, C25, C26, C24A, C25A, C26A with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 3. Uiso/Uaniso restraints and constraints C10 \\sim C11 \\sim C12 \\sim C13 \\sim C11A \\sim C12A \\sim C13A: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A C23 \\sim C24 \\sim C25 \\sim C26 \\sim C24A \\sim C25A \\sim C26A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A 4. Same fragment restrains {C9, C10, C11A, C12A, C13A} sigma for 1-2: 0.02, 1-3: 0.04 as in {C9, C10, C11, C12, C13} {C22, C23, C24A, C25A, C26A} sigma for 1-2: 0.02, 1-3: 0.04 as in {C22, C23, C24, C25, C26} 5. Others Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C12A)=Sof(H12D)=Sof(H12E)= Sof(H12F)=Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=1-FVAR(1) Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)= Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=FVAR(1) Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25A)=Sof(H25D)=Sof(H25E)= Sof(H25F)=Sof(C26A)=Sof(H26D)=Sof(H26E)=Sof(H26F)=1-FVAR(2) Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)= Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=FVAR(2) 6.a Me refined with riding coordinates: C11(H11A,H11B,H11C), C24(H24A,H24B,H24C) 6.b Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C40(H40), C41(H41), C42(H42), C43(H43), C46(H46), C47(H47), C48(H48), C49(H49) 6.c Idealised Me refined as rotating group: C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C11A(H11D,H11E,H11F), C12A(H12D, H12E,H12F), C13A(H13D,H13E,H13F), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C24A(H24D,H24E,H24F), C25A(H25D,H25E,H25F), C26A(H26D,H26E,H26F), C37(H37A, H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C) ; _shelx_res_file ; TITL qyy_1 P61 qyy_1_pl.res created by SHELXL-2019/1 at 19:54:00 on 11-Jul-2024 CELL 0.71073 12.379 12.379 51.501 90 90 120 ZERR 6 0.0007 0.0007 0.004 0 0 0 LATT -1 SYMM -Y+X,+X,0.167+Z SYMM -Y,+X-Y,0.333+Z SYMM -X,-Y,0.5+Z SYMM +Y-X,-X,0.667+Z SYMM +Y,-X+Y,0.833+Z SFAC C H Dy N O UNIT 294 318 6 12 36 DELU 0.02 0.02 C10 C11 > C13A DELU C23 C24 > C26A SIMU 0.02 0.04 2 C10 C11 > C13A SIMU 0.01 0.02 2 C23 C24 > C26A L.S. 30 PLAN 11 TEMP 27 CONF LIST 4 MORE -1 BOND $H fmap 2 acta OMIT 0 1 2 REM REM REM WGHT 0.017500 0.590300 FVAR 0.18593 0.81830 0.53127 DY1 3 -1.122252 -0.225206 0.594400 11.00000 0.03591 0.04083 = 0.03472 -0.00403 -0.00146 0.01812 O1 5 -1.033492 -0.342191 0.579884 11.00000 0.04106 0.04303 = 0.05065 -0.00574 -0.00263 0.01894 O2 5 -1.256645 -0.430702 0.606009 11.00000 0.04686 0.04385 = 0.05706 0.00152 0.00709 0.01358 O3 5 -0.966578 -0.094422 0.565701 11.00000 0.04874 0.04513 = 0.04078 0.00170 0.00147 0.01801 O4 5 -1.071858 -0.020059 0.602887 11.00000 0.06136 0.04753 = 0.06595 -0.00424 0.00461 0.02934 O5 5 -1.227170 -0.299561 0.555641 11.00000 0.04188 0.05830 = 0.03801 -0.01234 -0.00653 0.02580 O6 5 -1.306103 -0.218754 0.597232 11.00000 0.04878 0.08408 = 0.04687 -0.01865 -0.00896 0.04170 N1 4 -1.159047 -0.226522 0.643397 11.00000 0.04699 0.05860 = 0.03857 -0.00156 0.00026 0.02408 N2 4 -0.930195 -0.138714 0.624332 11.00000 0.04445 0.04329 = 0.04470 -0.00284 -0.00523 0.02396 C1 1 -1.010533 -0.482069 0.552689 11.00000 0.06713 0.05452 = 0.04293 -0.00336 -0.00369 0.03654 C2 1 -0.885538 -0.401567 0.550661 11.00000 0.06252 0.08681 = 0.08107 -0.03340 -0.00330 0.03508 AFIX 43 H2 2 -0.848043 -0.331074 0.561172 11.00000 -1.20000 AFIX 0 C3 1 -0.812843 -0.423494 0.532988 11.00000 0.07949 0.13898 = 0.10274 -0.04594 0.00423 0.05805 AFIX 43 H3 2 -0.728008 -0.366682 0.531485 11.00000 -1.20000 AFIX 0 C4 1 -0.866572 -0.528498 0.517924 11.00000 0.12297 0.12742 = 0.08905 -0.02711 0.01805 0.07785 AFIX 43 H4 2 -0.817470 -0.545356 0.506854 11.00000 -1.20000 AFIX 0 C5 1 -0.991517 -0.608189 0.519106 11.00000 0.13204 0.08876 = 0.08549 -0.02943 0.01606 0.05259 AFIX 43 H5 2 -1.028820 -0.677868 0.508365 11.00000 -1.20000 AFIX 0 C6 1 -1.062788 -0.584897 0.536401 11.00000 0.09470 0.06971 = 0.07362 -0.02104 0.01277 0.02878 AFIX 43 H6 2 -1.148317 -0.639846 0.537127 11.00000 -1.20000 AFIX 0 C7 1 -1.085141 -0.452875 0.571597 11.00000 0.05394 0.04403 = 0.04387 -0.00092 -0.00558 0.02907 C8 1 -1.203530 -0.548126 0.578593 11.00000 0.05403 0.03661 = 0.06316 -0.00269 -0.00220 0.01581 AFIX 43 H8 2 -1.232043 -0.626516 0.571297 11.00000 -1.20000 AFIX 0 SAME 0.02 0.04 C9 C10 C11A > C13A C9 1 -1.282905 -0.533170 0.596049 11.00000 0.04995 0.04293 = 0.04755 0.00397 -0.00522 0.01437 C10 1 -1.409033 -0.645724 0.603728 11.00000 0.05705 0.05218 = 0.08128 0.00671 0.00687 0.00866 PART 1 C11 1 -1.507580 -0.610514 0.597987 21.00000 0.04283 0.10318 = 0.23047 -0.01618 -0.00028 0.01319 AFIX 33 H11A 2 -1.509518 -0.597263 0.579667 21.00000 -1.50000 H11B 2 -1.587635 -0.676621 0.603506 21.00000 -1.50000 H11C 2 -1.488003 -0.535356 0.607150 21.00000 -1.50000 AFIX 0 C12 1 -1.444476 -0.765350 0.587792 21.00000 0.08484 0.05568 = 0.13350 0.00254 0.00716 -0.00319 AFIX 137 H12A 2 -1.435133 -0.745701 0.569606 21.00000 -1.50000 H12B 2 -1.529517 -0.827129 0.591351 21.00000 -1.50000 H12C 2 -1.390699 -0.797209 0.592562 21.00000 -1.50000 AFIX 0 C13 1 -1.404828 -0.666697 0.632201 21.00000 0.11956 0.13048 = 0.07873 0.03598 0.02363 -0.02073 AFIX 137 H13A 2 -1.345539 -0.693516 0.635511 21.00000 -1.50000 H13B 2 -1.485886 -0.729672 0.638002 21.00000 -1.50000 H13C 2 -1.380357 -0.590374 0.641378 21.00000 -1.50000 AFIX 0 PART 0 PART 2 C11A 1 -1.483262 -0.702108 0.581554 -21.00000 0.03469 0.11631 = 0.15368 -0.01748 -0.02643 0.00976 AFIX 137 H11D 2 -1.507197 -0.646385 0.573943 -21.00000 -1.50000 H11E 2 -1.556612 -0.778243 0.586491 -21.00000 -1.50000 H11F 2 -1.436439 -0.720026 0.569153 -21.00000 -1.50000 AFIX 0 C12A 1 -1.371982 -0.740486 0.617142 -21.00000 0.05649 0.09453 = 0.13970 0.07365 0.01761 0.00023 AFIX 137 H12D 2 -1.349288 -0.780323 0.603959 -21.00000 -1.50000 H12E 2 -1.441910 -0.802557 0.626792 -21.00000 -1.50000 H12F 2 -1.302696 -0.694977 0.628658 -21.00000 -1.50000 AFIX 0 C13A 1 -1.470810 -0.608631 0.624652 -21.00000 0.06745 0.09937 = 0.13127 0.00018 0.04243 -0.00980 AFIX 137 H13D 2 -1.409175 -0.554981 0.637011 -21.00000 -1.50000 H13E 2 -1.533429 -0.682079 0.633311 -21.00000 -1.50000 H13F 2 -1.508861 -0.565395 0.616858 -21.00000 -1.50000 AFIX 0 PART 0 C14 1 -0.779569 0.056988 0.546322 11.00000 0.04997 0.07229 = 0.04860 0.00512 -0.00564 0.01746 C15 1 -0.705236 0.179619 0.537274 11.00000 0.07079 0.07828 = 0.06704 0.01525 0.00338 0.00324 AFIX 43 H15 2 -0.723289 0.240784 0.542500 11.00000 -1.20000 AFIX 0 C16 1 -0.607491 0.210732 0.521044 11.00000 0.07109 0.14272 = 0.08197 0.03299 0.01378 0.00525 AFIX 43 H16 2 -0.559766 0.292198 0.515070 11.00000 -1.20000 AFIX 0 C17 1 -0.579767 0.121201 0.513544 11.00000 0.06590 0.21184 = 0.07703 0.03220 0.02586 0.04357 AFIX 43 H17 2 -0.512003 0.142597 0.502676 11.00000 -1.20000 AFIX 0 C18 1 -0.650184 0.001466 0.521808 11.00000 0.09404 0.18513 = 0.07632 0.01731 0.02472 0.08102 AFIX 43 H18 2 -0.630365 -0.058479 0.516597 11.00000 -1.20000 AFIX 0 C19 1 -0.752689 -0.031956 0.538177 11.00000 0.07467 0.11449 = 0.05972 0.01167 0.01701 0.04812 AFIX 43 H19 2 -0.802157 -0.114352 0.543464 11.00000 -1.20000 AFIX 0 C20 1 -0.886379 0.021740 0.564724 11.00000 0.04351 0.05122 = 0.04379 0.00999 -0.00332 0.01588 C21 1 -0.890699 0.112161 0.579717 11.00000 0.06369 0.03728 = 0.07074 -0.00144 0.00017 0.01491 AFIX 43 H21 2 -0.827409 0.194407 0.577576 11.00000 -1.20000 AFIX 0 SAME 0.02 0.04 C22 C23 C24A > C26A C22 1 -0.984784 0.087763 0.598032 11.00000 0.06842 0.04674 = 0.05656 -0.00779 -0.01009 0.03177 C23 1 -0.988895 0.194962 0.611702 11.00000 0.09728 0.05631 = 0.08873 -0.01116 -0.00534 0.04607 PART 1 C24 1 -0.877310 0.317834 0.607500 31.00000 0.13575 0.05592 = 0.15560 -0.03822 0.01291 0.03606 AFIX 33 H24A 2 -0.886455 0.380403 0.616632 31.00000 -1.50000 H24B 2 -0.805057 0.316534 0.613850 31.00000 -1.50000 H24C 2 -0.867656 0.336686 0.589277 31.00000 -1.50000 AFIX 0 C25 1 -1.111240 0.190914 0.600533 31.00000 0.12741 0.10093 = 0.15674 -0.02709 -0.00167 0.08626 AFIX 137 H25A 2 -1.127623 0.247501 0.610197 31.00000 -1.50000 H25B 2 -1.180944 0.107822 0.602109 31.00000 -1.50000 H25C 2 -1.098685 0.214986 0.582579 31.00000 -1.50000 AFIX 0 C26 1 -1.061957 0.151408 0.637838 31.00000 0.13212 0.10115 = 0.11503 -0.02845 0.02393 0.06419 AFIX 137 H26A 2 -1.040267 0.096536 0.646646 31.00000 -1.50000 H26B 2 -1.149955 0.108133 0.634391 31.00000 -1.50000 H26C 2 -1.040615 0.222749 0.648565 31.00000 -1.50000 AFIX 0 PART 0 PART 2 C24A 1 -1.045200 0.246977 0.593616 -31.00000 0.15659 0.09814 = 0.13264 -0.01694 -0.02678 0.09609 AFIX 137 H24D 2 -1.055168 0.309840 0.602403 -31.00000 -1.50000 H24E 2 -1.125180 0.181396 0.587919 -31.00000 -1.50000 H24F 2 -0.991557 0.283232 0.578863 -31.00000 -1.50000 AFIX 0 C25A 1 -1.017777 0.157005 0.640295 -31.00000 0.14238 0.08155 = 0.09063 -0.02817 0.00914 0.06349 AFIX 137 H25D 2 -0.946164 0.160550 0.648363 -31.00000 -1.50000 H25E 2 -1.087252 0.073558 0.641406 -31.00000 -1.50000 H25F 2 -1.038008 0.213134 0.649024 -31.00000 -1.50000 AFIX 0 C26A 1 -0.852791 0.300518 0.620271 -31.00000 0.11320 0.08399 = 0.10227 -0.04261 -0.00868 0.02801 AFIX 137 H26D 2 -0.805660 0.344215 0.605178 -31.00000 -1.50000 H26E 2 -0.811489 0.262818 0.629036 -31.00000 -1.50000 H26F 2 -0.859228 0.358113 0.631760 -31.00000 -1.50000 AFIX 0 PART 0 C27 1 -1.365684 -0.390026 0.520771 11.00000 0.03846 0.04789 = 0.03980 -0.00448 -0.00074 0.01596 C28 1 -1.312685 -0.460831 0.513713 11.00000 0.05315 0.05498 = 0.04215 -0.00738 -0.00403 0.02437 AFIX 43 H28 2 -1.260143 -0.470035 0.525278 11.00000 -1.20000 AFIX 0 C29 1 -1.336558 -0.518238 0.489713 11.00000 0.06753 0.06246 = 0.04788 -0.00921 0.00608 0.03111 AFIX 43 H29 2 -1.301795 -0.567217 0.485320 11.00000 -1.20000 AFIX 0 C30 1 -1.412431 -0.502405 0.472276 11.00000 0.06564 0.06690 = 0.04082 -0.01439 -0.00190 0.01978 AFIX 43 H30 2 -1.428029 -0.539993 0.456020 11.00000 -1.20000 AFIX 0 C31 1 -1.464390 -0.431746 0.478894 11.00000 0.06799 0.08381 = 0.04771 -0.00824 -0.01942 0.03409 AFIX 43 H31 2 -1.514774 -0.420636 0.467064 11.00000 -1.20000 AFIX 0 C32 1 -1.442594 -0.376640 0.503056 11.00000 0.05782 0.06955 = 0.04584 -0.00878 -0.00972 0.03293 AFIX 43 H32 2 -1.479857 -0.330016 0.507516 11.00000 -1.20000 AFIX 0 C33 1 -1.333547 -0.326969 0.546650 11.00000 0.04361 0.04732 = 0.04153 -0.00460 -0.00372 0.02056 C34 1 -1.418771 -0.302709 0.559037 11.00000 0.04390 0.09356 = 0.04833 -0.02077 -0.00927 0.03772 AFIX 43 H34 2 -1.493612 -0.325458 0.550614 11.00000 -1.20000 AFIX 0 C35 1 -1.398745 -0.245798 0.583557 11.00000 0.04546 0.06872 = 0.05414 -0.01454 -0.00382 0.02984 C36 1 -1.496007 -0.213559 0.594095 11.00000 0.06316 0.12984 = 0.06201 -0.03128 -0.01386 0.06607 C37 1 -1.519964 -0.136121 0.574738 11.00000 0.16391 0.20089 = 0.10316 -0.01247 0.00122 0.15498 AFIX 137 H37A 2 -1.595456 -0.136696 0.579286 11.00000 -1.50000 H37B 2 -1.528194 -0.170553 0.557667 11.00000 -1.50000 H37C 2 -1.451455 -0.051936 0.574969 11.00000 -1.50000 AFIX 0 C38 1 -1.618118 -0.334635 0.598315 11.00000 0.07595 0.22455 = 0.14560 -0.03392 0.03046 0.06820 AFIX 137 H38A 2 -1.681725 -0.316112 0.603397 11.00000 -1.50000 H38B 2 -1.607334 -0.382293 0.611725 11.00000 -1.50000 H38C 2 -1.642376 -0.381926 0.582486 11.00000 -1.50000 AFIX 0 C39 1 -1.454202 -0.148092 0.619720 11.00000 0.12572 0.25149 = 0.09855 -0.09279 -0.03951 0.14531 AFIX 137 H39A 2 -1.379652 -0.069040 0.617310 11.00000 -1.50000 H39B 2 -1.437618 -0.198241 0.631477 11.00000 -1.50000 H39C 2 -1.518562 -0.135066 0.626785 11.00000 -1.50000 AFIX 0 C40 1 -1.275212 -0.281235 0.652758 11.00000 0.05472 0.08455 = 0.04889 0.00202 0.00354 0.03206 AFIX 43 H40 2 -1.340684 -0.328768 0.641458 11.00000 -1.20000 AFIX 0 C41 1 -1.303509 -0.271256 0.678180 11.00000 0.06844 0.10940 = 0.05475 0.00390 0.01597 0.04433 AFIX 43 H41 2 -1.385536 -0.312908 0.684054 11.00000 -1.20000 AFIX 0 C42 1 -1.206040 -0.197294 0.694709 11.00000 0.08813 0.11031 = 0.04017 -0.00479 0.01132 0.05371 AFIX 43 H42 2 -1.221757 -0.185766 0.711846 11.00000 -1.20000 AFIX 0 C43 1 -1.086141 -0.141226 0.685565 11.00000 0.07832 0.07964 = 0.04226 -0.01248 -0.01068 0.04198 AFIX 43 H43 2 -1.019738 -0.092498 0.696569 11.00000 -1.20000 AFIX 0 C44 1 -1.064041 -0.157372 0.659806 11.00000 0.05659 0.04652 = 0.03754 -0.00224 -0.00659 0.02873 C45 1 -0.937619 -0.107963 0.649121 11.00000 0.05239 0.04103 = 0.04500 -0.00274 -0.00854 0.02390 C46 1 -0.830408 -0.037640 0.664102 11.00000 0.06133 0.06006 = 0.05818 -0.01134 -0.01869 0.02370 AFIX 43 H46 2 -0.836962 -0.017521 0.681208 11.00000 -1.20000 AFIX 0 C47 1 -0.716103 0.001052 0.653295 11.00000 0.05875 0.06364 = 0.07821 -0.00876 -0.02301 0.01845 AFIX 43 H47 2 -0.643928 0.049463 0.662866 11.00000 -1.20000 AFIX 0 C48 1 -0.708429 -0.031830 0.628313 11.00000 0.04323 0.05766 = 0.08455 0.01147 -0.00138 0.02045 AFIX 43 H48 2 -0.631396 -0.008120 0.620811 11.00000 -1.20000 AFIX 0 C49 1 -0.816471 -0.100400 0.614552 11.00000 0.04975 0.05492 = 0.05750 0.00177 0.00179 0.02826 AFIX 43 H49 2 -0.810513 -0.121487 0.597491 11.00000 -1.20000 AFIX 0 HKLF 4 1 -1 0 0 0 -1 0 0 0 1 REM qyy_1 P61 REM wR2 = 0.0445, GooF = S = 1.058, Restrained GooF = 1.067 for all data REM R1 = 0.0207 for 8671 Fo > 4sig(Fo) and 0.0234 for all 9181 data REM 592 parameters refined using 175 restraints END WGHT 0.0175 0.5903 REM Highest difference peak 0.204, deepest hole -0.397, 1-sigma level 0.039 Q1 1 -1.1242 -0.1170 0.5931 11.00000 0.05 0.20 Q2 1 -1.2335 -0.2201 0.5952 11.00000 0.05 0.20 Q3 1 -1.1645 -0.5798 0.5965 11.00000 0.05 0.18 Q4 1 -1.3820 -0.0446 0.5942 11.00000 0.05 0.17 Q5 1 -1.7052 -0.7141 0.5948 11.00000 0.05 0.16 Q6 1 -1.2147 -0.2168 0.6487 11.00000 0.05 0.16 Q7 1 -1.1843 -0.2761 0.5676 11.00000 0.05 0.16 Q8 1 -1.1881 -0.2399 0.6213 11.00000 0.05 0.16 Q9 1 -1.3762 -0.0422 0.6076 11.00000 0.05 0.16 Q10 1 -1.0145 -0.2082 0.6117 11.00000 0.05 0.16 Q11 1 -0.9988 0.3185 0.5918 11.00000 0.05 0.15 ; _shelx_res_checksum 57032 _shelx_hkl_file ; 1 0 0 5221.98 219.88 1 -1 0 4974.70 220.08 1 1 0 0.60 0.60 1 -2 0 1.40 0.60 1 -2 0 1.20 0.50 1 1 0 1.20 0.60 -2 1 0 0.90 0.50 -1 -1 0 0.50 0.80 -1 -1 0 1.30 0.60 -1 2 0 0.70 0.50 2 -1 0 1.00 0.50 -2 2 0 106.39 5.20 0 -2 0 98.69 5.60 2 0 0 105.39 5.30 0 -2 0 106.59 5.40 2 -2 0 102.99 5.10 -2 0 0 108.09 5.30 -2 0 0 105.69 5.70 0 2 0 99.99 5.60 0 2 0 101.29 5.40 1 2 0 867.91 37.00 1 2 0 890.41 37.50 2 -3 0 851.61 36.80 2 -3 0 836.12 36.60 -3 1 0 879.31 36.70 -2 3 0 855.91 36.80 -2 3 0 874.51 36.60 -1 -2 0 902.01 37.00 -1 -2 0 905.71 37.60 3 -1 0 901.71 36.80 2 1 0 904.31 40.70 -3 2 0 1004.00 40.00 1 -3 0 976.90 40.30 1 -3 0 957.10 40.70 2 1 0 938.51 40.20 -2 -1 0 960.00 40.20 3 -2 0 979.70 39.90 -1 3 0 951.60 40.60 -1 3 0 923.31 40.20 -2 -1 0 992.70 40.90 3 0 0 286.37 13.90 -3 3 0 291.37 13.00 0 -3 0 286.97 13.80 3 0 0 279.67 13.20 0 -3 0 277.47 13.30 -3 0 0 288.97 13.20 -3 0 0 288.17 13.90 0 3 0 270.37 13.70 0 3 0 281.97 13.40 3 -3 0 289.57 12.90 -4 1 0 18.70 2.60 3 -4 0 24.40 2.50 3 -4 0 21.60 2.20 1 3 0 21.70 2.40 1 3 0 22.20 2.70 -3 4 0 24.80 2.30 4 -1 0 20.30 2.20 -1 -3 0 19.40 2.30 4 -1 0 18.00 2.60 -1 -3 0 22.70 2.80 -4 2 0 307.97 14.20 2 2 0 288.67 14.40 2 2 0 305.47 15.10 2 -4 0 320.57 14.20 2 -4 0 315.37 15.00 2 -4 0 329.47 14.50 -2 -2 0 296.57 14.40 4 -2 0 290.87 14.00 -2 -2 0 296.17 15.10 -2 4 0 305.47 14.40 1 -4 0 204.28 10.60 -4 3 0 186.28 9.60 3 1 0 196.58 10.70 1 -4 0 205.78 10.10 3 1 0 192.88 10.00 -3 -1 0 190.98 10.00 4 -3 0 180.28 9.50 -3 -1 0 193.58 10.60 -1 4 0 206.28 10.60 -1 4 0 206.18 10.20 4 0 0 299.97 15.60 -4 4 0 308.67 14.40 4 0 0 300.37 14.60 0 -4 0 323.37 15.60 0 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0 775.72 32.70 5 -6 0 748.23 33.00 1 5 0 730.93 34.10 1 5 0 694.93 33.20 -1 -5 0 719.83 34.20 6 -1 0 747.93 34.90 -1 -5 0 731.93 33.10 -5 6 0 754.72 32.50 4 -6 0 4.10 1.50 2 4 0 3.30 2.10 2 4 0 2.50 1.40 4 -6 0 2.10 1.50 -6 2 0 6.10 1.90 -2 -4 0 4.00 1.70 6 -2 0 11.70 3.50 -2 -4 0 3.70 2.60 6 -2 0 4.10 1.60 3 -6 0 1948.71 81.19 3 -6 0 1957.40 80.79 3 3 0 1958.80 82.59 3 -6 0 1842.92 81.89 -6 3 0 1908.61 80.79 6 -3 0 1924.61 80.69 -3 -3 0 2011.60 81.49 -3 -3 0 1962.80 82.59 -3 6 0 1923.61 81.29 2 -6 0 1869.71 79.79 4 2 0 1856.01 79.99 2 -6 0 1819.82 78.49 4 2 0 1833.72 78.79 -6 4 0 1944.61 78.29 -4 -2 0 1881.01 78.79 -4 -2 0 1882.51 80.19 6 -4 0 1891.71 78.09 -2 6 0 1873.51 78.89 1 -6 0 37.70 4.00 -6 5 0 31.00 3.40 1 -6 0 36.90 4.30 5 1 0 34.80 4.40 5 1 0 33.20 3.90 6 -5 0 31.40 3.30 -5 -1 0 31.80 3.70 -1 6 0 34.50 4.20 -5 -1 0 35.50 4.40 -1 6 0 35.20 3.90 6 0 0 281.57 15.30 6 0 0 288.57 16.70 -6 6 0 283.97 14.80 0 -6 0 343.77 19.80 0 -6 0 295.17 15.50 6 -6 0 308.67 15.50 0 6 0 309.47 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5.00 10 -9 0 23.10 4.20 0 -10 0 162.18 13.50 0 -10 0 153.88 11.50 10 0 0 137.19 13.10 -10 10 0 140.79 10.50 -10 0 0 140.59 11.10 0 10 0 151.48 12.10 10 -10 0 152.18 11.40 10 -10 0 144.39 10.30 10 -11 0 7.70 3.50 10 -11 0 8.00 3.20 -11 1 0 6.60 3.10 -1 -10 0 9.50 3.70 -10 11 0 11.10 3.30 11 -1 0 5.90 4.10 -1 -10 0 3.80 2.90 9 -11 0 6.10 2.80 -11 2 0 3.20 2.30 9 -11 0 0.50 2.40 11 -2 0 0.90 2.70 -2 -9 0 0.20 2.40 11 -2 0 3.10 3.10 -2 -9 0 1.20 2.40 -11 3 0 83.19 7.90 8 -11 0 78.29 7.40 8 -11 0 76.09 7.80 -3 -8 0 104.29 10.60 -3 -8 0 93.19 8.50 11 -3 0 86.49 8.00 11 -3 0 81.99 9.90 7 -11 0 67.89 8.10 7 -11 0 66.69 6.80 7 -11 0 63.49 6.50 -11 4 0 67.99 7.00 -4 -7 0 49.20 6.40 11 -4 0 70.99 8.50 11 -4 0 61.59 6.70 -4 -7 0 53.99 7.70 6 -11 0 104.89 8.70 6 -11 0 94.69 8.70 -11 5 0 104.59 8.90 5 6 0 93.59 10.20 6 -11 0 107.39 10.40 11 -5 0 105.99 8.60 -5 -6 0 114.29 9.60 -5 -6 0 111.29 10.60 11 -5 0 113.69 11.00 -11 6 0 377.46 20.10 5 -11 0 356.26 22.00 5 -11 0 367.36 20.10 5 -11 0 382.06 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36.90 6.60 1 -12 0 47.50 9.30 -12 11 0 34.40 5.80 12 -11 0 33.00 6.10 -11 -1 0 30.50 6.10 12 -11 0 25.70 5.00 -12 12 0 39.10 5.50 0 -12 0 49.90 9.60 0 -12 0 44.20 6.30 12 -12 0 32.60 5.70 12 -12 0 29.60 5.90 12 -13 0 14.30 4.70 -1 -12 0 15.30 5.50 11 -13 0 4.50 3.10 11 -13 0 6.10 3.60 -13 2 0 2.20 2.70 -2 -11 0 1.20 2.80 10 -13 0 0.30 2.40 -13 3 0 3.90 2.80 10 -13 0 0.10 2.50 10 -13 0 4.00 3.50 -3 -10 0 4.00 3.30 9 -13 0 28.80 6.90 9 -13 0 29.00 5.70 9 -13 0 33.80 5.80 -4 -9 0 34.80 6.30 -4 -9 0 38.10 8.30 -13 5 0 37.80 6.50 8 -13 0 39.40 6.00 8 -13 0 43.70 6.20 8 -13 0 39.30 7.90 13 -5 0 48.60 8.90 -5 -8 0 48.70 6.60 -5 -8 0 27.30 6.60 7 -13 0 4.20 3.00 -13 6 0 -1.70 2.20 7 -13 0 1.70 2.80 7 -13 0 0.30 2.80 -6 -7 0 4.10 3.20 13 -6 0 -1.20 2.70 -6 -7 0 2.70 3.40 6 -13 0 102.49 11.20 6 -13 0 84.39 10.50 6 -13 0 102.09 9.20 -13 7 0 85.09 8.60 -7 -6 0 103.79 10.00 -7 -6 0 95.39 11.00 13 -7 0 74.59 10.30 -13 8 0 3.20 2.70 5 -13 0 9.70 4.70 5 -13 0 9.80 3.60 -8 -5 0 8.50 3.60 13 -8 0 6.40 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33.70 7.90 14 -6 -4 27.10 7.00 -14 6 4 36.10 6.50 8 -14 4 35.20 8.20 8 -14 4 39.60 7.90 8 -14 4 41.80 6.00 -7 -8 -4 10.20 4.50 8 -15 4 9.90 4.80 8 -15 4 4.80 3.40 -9 -6 -4 10.30 4.60 6 -15 4 13.30 4.70 6 -15 4 11.80 5.20 -15 9 4 10.90 5.10 -9 -5 -4 22.00 6.40 5 -14 4 23.50 6.30 5 -14 4 32.30 7.30 -14 9 4 21.70 5.50 -9 -4 -4 138.09 13.00 -9 -4 -4 117.99 11.20 4 -13 4 122.89 10.50 4 -13 4 108.69 12.20 -13 9 4 111.39 10.00 12 -9 -4 17.70 4.30 -9 -3 -4 24.60 6.80 -3 12 -4 18.40 4.80 -9 -3 -4 20.00 4.80 3 -12 4 20.40 4.50 3 -12 4 22.40 5.30 -12 9 4 16.50 4.40 3 -12 4 28.80 6.90 11 -9 -4 48.30 8.00 -9 -2 -4 46.00 6.20 -9 -2 -4 39.00 7.00 -2 11 -4 51.69 6.60 -11 9 4 49.30 5.90 2 -11 4 53.99 8.00 2 -11 4 61.39 6.70 10 -9 -4 93.99 8.80 -1 10 -4 95.69 9.60 -9 -1 -4 88.79 8.10 10 -9 -4 87.99 7.80 -1 10 -4 87.09 8.40 9 1 4 93.69 8.50 9 1 4 97.49 10.20 -10 9 4 82.09 7.90 1 -10 4 95.39 8.40 1 -10 4 89.49 9.70 0 9 -4 10.70 3.40 -9 0 -4 21.90 4.50 9 -9 -4 17.40 5.20 0 9 -4 20.60 4.50 9 -9 -4 14.80 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91.79 9.80 -11 1 4 95.19 9.00 -2 -10 -4 182.58 13.70 -2 -10 -4 181.78 15.30 12 -2 -4 169.88 15.40 -12 2 4 179.88 13.40 10 -12 4 195.18 13.20 10 -12 4 187.18 12.20 -3 -10 -4 49.10 8.80 10 -13 4 69.39 9.40 10 -13 4 54.09 6.50 10 -13 4 53.19 6.70 -13 3 4 51.49 7.10 -4 -10 -4 9.10 4.70 10 -14 4 9.30 3.40 10 -14 4 5.50 3.30 10 -14 4 7.40 5.10 -5 -10 -4 16.60 6.00 10 -15 4 14.10 5.90 10 -15 4 7.80 4.10 3 -14 4 10.00 3.70 -14 11 4 5.80 3.40 3 -14 4 6.70 4.10 13 -11 -4 19.20 5.20 -13 11 4 17.60 4.60 2 -13 4 20.90 5.00 2 -13 4 14.70 4.90 12 -11 -4 79.19 8.80 -11 -1 -4 77.19 8.50 1 -12 4 75.79 8.50 1 -12 4 84.59 10.40 -12 11 4 75.19 7.80 11 -11 -4 70.59 7.90 11 -11 -4 61.79 7.00 0 -11 4 69.09 7.40 0 -11 4 62.79 9.10 -11 11 4 55.39 6.80 -11 1 -4 91.39 8.60 10 -11 -4 75.39 7.60 10 -11 -4 70.79 8.10 -1 -10 4 86.69 8.40 -10 11 4 78.69 7.80 -1 -10 4 84.29 10.00 9 -11 -4 162.48 12.30 -11 2 -4 198.28 12.80 11 -2 4 155.38 14.00 -2 -9 4 152.78 13.90 11 -2 4 163.48 11.90 -2 -9 4 154.68 11.90 8 -11 -4 131.39 10.30 3 8 -4 131.69 12.20 8 -11 -4 124.89 10.40 -11 3 -4 131.89 10.30 11 -3 4 126.89 12.10 -3 -8 4 130.49 12.30 -3 -8 4 141.59 10.80 11 -3 4 141.49 10.30 7 -11 -4 180.18 13.80 7 -11 -4 177.98 12.60 4 7 -4 168.98 18.40 4 7 -4 159.88 13.60 7 -11 -4 191.48 12.50 -11 4 -4 191.28 12.40 -4 -7 4 185.08 14.50 11 -4 4 179.78 12.00 11 -4 4 182.68 14.60 -4 -7 4 178.18 12.50 5 6 -4 26.70 6.00 6 -11 -4 26.70 5.20 -11 5 -4 34.90 4.90 6 -11 -4 24.20 5.10 6 -11 -4 26.80 6.10 5 6 -4 31.30 6.80 11 -5 4 44.30 5.20 -5 -6 4 46.30 9.60 11 -5 4 41.80 7.70 -5 -6 4 40.00 5.50 6 5 -4 17.80 4.80 -11 6 -4 21.80 4.20 5 -11 -4 32.70 5.70 5 -11 -4 37.20 7.10 11 -6 4 19.90 4.00 -6 -5 4 23.30 4.90 -5 11 4 24.00 7.80 -6 -5 4 18.50 5.00 -11 7 -4 91.39 9.30 4 -11 -4 94.89 8.70 4 -11 -4 98.99 9.90 4 -11 -4 89.79 8.30 7 4 -4 96.79 9.90 -7 -4 4 95.69 10.20 11 -7 4 88.29 7.50 -7 -4 4 93.79 8.70 -4 11 4 92.89 9.10 3 -11 -4 202.68 13.80 3 -11 -4 203.28 13.90 8 3 -4 203.08 15.70 -3 11 4 201.48 14.50 -8 -3 4 185.28 13.60 11 -8 4 203.98 12.40 -8 -3 4 206.18 15.80 2 -11 -4 47.90 6.40 9 2 -4 48.40 8.70 2 -11 -4 54.29 7.60 -11 9 -4 41.30 6.10 -9 -2 4 52.99 6.50 -9 -2 4 54.79 7.80 11 -9 4 46.20 5.50 -11 10 -4 94.19 8.00 10 1 -4 100.39 11.00 1 -11 -4 95.19 10.30 1 -11 -4 99.99 9.40 11 -10 4 85.89 7.50 11 -10 4 88.69 8.60 0 -11 -4 65.39 7.50 -11 11 -4 74.29 6.90 0 -11 -4 65.39 8.90 11 0 -4 54.59 9.40 11 -11 4 66.59 6.60 -11 0 4 60.29 7.50 11 -11 4 64.99 7.30 -1 -11 -4 11.80 4.00 -1 -11 -4 16.20 5.40 -12 1 4 8.50 3.30 11 -12 4 9.80 3.60 11 -12 4 11.80 3.80 -2 -11 -4 25.10 6.60 11 -13 4 31.70 5.90 11 -13 4 29.50 5.50 -3 -11 -4 5.60 4.20 11 -14 4 5.20 3.40 11 -14 4 9.80 3.70 11 -14 4 6.70 5.00 14 -12 -4 0.00 3.30 -14 12 4 -2.80 2.20 2 -14 4 0.30 3.60 13 -12 -4 19.60 5.40 1 -13 4 25.80 7.60 -12 0 -4 22.70 5.50 12 -12 -4 32.90 6.60 0 -12 4 13.40 4.10 -12 12 4 21.30 4.90 0 -12 4 23.10 6.60 11 -12 -4 3.30 3.60 -12 1 -4 9.20 3.50 11 -12 -4 7.10 3.50 -1 -11 4 8.80 4.50 -1 -11 4 14.40 4.10 10 -12 -4 175.98 13.00 -12 2 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44.20 5.60 0 9 -23 50.49 5.70 9 -9 -23 63.89 7.60 0 9 -23 36.30 6.60 9 0 23 32.60 5.70 0 -9 23 40.50 5.20 -9 9 23 41.60 6.30 -9 1 -23 76.09 6.80 8 -9 -23 68.49 8.40 1 8 -23 82.59 9.10 1 8 -23 78.89 7.40 9 -1 23 79.49 7.30 -1 -8 23 93.59 10.00 -8 9 23 85.29 8.20 -1 -8 23 84.89 7.40 -9 2 -23 147.79 9.70 2 7 -23 150.78 10.80 7 -9 -23 155.78 12.60 7 -9 -23 154.18 11.60 -2 -7 23 145.29 12.80 -2 -7 23 146.99 10.50 -7 9 23 161.58 11.70 9 -2 23 157.08 10.30 3 6 -23 117.69 9.10 6 -9 -23 117.89 9.10 6 -9 -23 116.39 10.40 6 -9 -23 110.39 9.50 -9 3 -23 106.29 7.60 -3 -6 23 108.69 10.60 9 -3 23 106.79 7.80 -3 -6 23 105.29 8.80 5 -9 -23 4.00 2.30 5 -9 -23 5.20 3.10 4 5 -23 1.00 2.20 5 -9 -23 4.50 2.90 -9 4 -23 2.30 1.70 4 5 -23 -2.00 2.60 -4 -5 23 8.30 3.10 -4 -5 23 4.00 2.70 9 -4 23 11.30 2.50 4 -9 -23 11.80 3.30 5 4 -23 9.50 3.70 4 -9 -23 12.50 3.90 5 4 -23 12.50 3.60 -9 5 -23 10.20 2.10 4 -9 -23 8.50 3.70 -5 -4 23 6.70 2.90 9 -5 23 12.60 2.40 -5 -4 23 9.40 3.50 3 -9 -23 13.00 3.90 6 3 -23 12.90 3.80 3 -9 -23 10.70 3.10 -9 6 -23 14.00 2.00 3 -9 -23 8.80 3.30 6 3 -23 12.50 3.50 -6 -3 23 16.90 4.90 -6 -3 23 17.30 4.20 -3 9 23 14.80 4.60 9 -6 23 15.50 2.10 2 -9 -23 43.00 6.00 7 2 -23 52.09 7.20 2 -9 -23 36.70 5.00 -9 7 -23 37.10 2.80 7 2 -23 44.40 5.60 2 -9 -23 41.00 7.60 9 -7 23 38.50 2.90 -7 -2 23 49.80 6.00 -7 -2 23 54.89 7.30 9 -7 23 39.40 2.80 1 -9 -23 165.08 11.50 8 1 -23 153.78 13.10 1 -9 -23 177.58 12.60 -8 -1 23 148.99 12.90 -8 -1 23 150.18 11.60 0 -9 -23 44.00 5.90 9 0 -23 50.69 7.30 0 -9 -23 47.30 6.60 -9 0 23 38.60 6.90 -1 -9 -23 82.79 9.20 10 -1 -23 88.59 10.10 -1 -9 -23 88.49 8.70 -10 1 23 93.59 9.40 -2 -9 -23 103.59 9.70 -2 -9 -23 98.99 9.90 11 -2 -23 94.79 11.00 9 -11 23 121.29 12.00 -11 2 23 96.89 9.90 9 -11 23 105.39 5.20 -3 -9 -23 -1.70 1.40 12 -3 -23 -3.00 2.10 9 -12 23 0.60 2.70 9 -12 23 0.40 1.10 9 -12 23 3.20 1.20 -4 -9 -23 13.40 4.50 9 -13 23 17.50 2.60 9 -13 23 26.40 7.70 9 -13 23 14.10 2.70 9 -14 23 17.90 7.10 4 -14 23 3.90 7.70 4 -14 23 0.70 3.20 4 -14 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9.00 6 -10 -23 100.69 10.10 -10 4 -23 97.59 7.20 10 -4 23 99.19 7.40 -4 -6 23 107.29 9.00 -4 -6 23 117.19 11.30 5 5 -23 194.08 13.30 5 5 -23 202.78 15.40 5 -10 -23 198.88 14.40 5 -10 -23 198.08 13.20 -10 5 -23 196.98 11.00 10 -5 23 195.58 11.00 -5 -5 23 197.28 13.30 -5 -5 23 192.78 15.30 4 -10 -23 210.28 15.40 6 4 -23 218.58 16.30 -10 6 -23 227.18 11.60 4 -10 -23 219.78 14.30 10 -6 23 216.58 11.40 -6 -4 23 224.58 14.70 -6 -4 23 243.18 16.80 7 3 -23 51.79 7.90 3 -10 -23 53.29 7.30 3 -10 -23 57.09 6.70 -7 -3 23 67.19 7.40 -7 -3 23 56.59 8.10 10 -7 23 76.29 4.70 2 -10 -23 22.40 5.50 2 -10 -23 21.90 4.70 8 2 -23 33.10 6.90 -8 -2 23 25.80 5.70 -8 -2 23 21.00 4.80 10 -8 23 20.50 2.10 10 -8 23 19.10 2.30 1 -10 -23 119.39 10.90 1 -10 -23 124.39 10.40 9 1 -23 138.39 12.70 -9 -1 23 118.69 10.70 -9 -1 23 126.19 12.20 0 -10 -23 133.89 11.80 10 0 -23 128.29 12.90 0 -10 -23 137.79 11.40 -10 0 23 142.19 11.80 11 -1 -23 90.79 10.60 -1 -10 -23 85.79 9.10 12 -2 -23 4.20 4.00 -2 -10 -23 11.10 4.60 10 -12 23 3.20 1.10 10 -12 23 2.50 2.90 -3 -10 -23 46.00 7.00 10 -13 23 40.60 9.10 10 -14 23 26.50 7.20 2 -13 23 46.00 10.10 2 -13 23 36.10 6.10 -11 -1 -23 17.60 4.70 1 -12 23 14.50 5.90 1 -12 23 16.20 4.40 -11 0 -23 26.50 5.50 0 11 -23 30.40 7.60 11 -11 -23 22.50 7.50 0 -11 23 26.70 5.50 0 -11 23 26.60 7.50 10 -11 -23 80.09 9.90 1 10 -23 81.59 10.40 -11 1 -23 80.09 7.90 11 -1 23 75.89 8.20 -1 -10 23 80.49 10.70 -1 -10 23 84.19 8.20 -10 11 23 84.69 9.10 -11 2 -23 99.69 8.50 2 9 -23 122.59 12.10 9 -11 -23 112.19 11.40 -2 -9 23 135.49 13.50 -9 11 23 104.19 10.10 11 -2 23 101.89 9.20 -2 -9 23 111.69 9.50 3 8 -23 39.30 7.20 8 -11 -23 66.19 8.30 8 -11 -23 50.69 6.60 -11 3 -23 57.59 6.00 11 -3 23 59.29 6.30 -3 -8 23 48.00 6.40 -3 -8 23 48.70 8.70 4 7 -23 32.90 6.80 7 -11 -23 23.80 7.70 7 -11 -23 34.20 6.20 -11 4 -23 27.90 4.50 -4 -7 23 28.70 6.30 11 -4 23 25.90 4.40 -4 -7 23 43.00 5.90 -11 5 -23 112.89 8.10 6 -11 -23 123.09 10.20 5 6 -23 133.09 12.30 -5 -6 23 115.39 9.90 -5 -6 23 127.79 12.60 11 -5 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314.77 17.40 8 -3 27 317.77 16.00 -3 -5 27 333.97 20.40 4 -8 -27 16.90 3.70 4 4 -27 12.20 3.20 4 -8 -27 18.90 4.40 4 4 -27 20.50 5.20 4 -8 -27 16.20 4.30 -4 -4 27 11.30 3.30 8 -4 27 15.80 2.50 -4 -4 27 12.20 3.80 3 -8 -27 127.89 8.60 5 3 -27 124.89 9.80 3 -8 -27 117.79 9.80 -8 5 -27 119.29 6.10 5 3 -27 129.29 10.60 3 -8 -27 128.89 10.50 8 -5 27 114.59 6.10 -5 -3 27 120.59 9.50 -5 -3 27 123.39 10.50 2 -8 -27 294.27 17.80 6 2 -27 292.17 18.60 6 2 -27 284.27 17.00 2 -8 -27 288.37 18.10 2 -8 -27 293.17 15.90 -6 -2 27 308.47 17.70 -6 -2 27 301.77 18.70 -2 8 27 289.77 18.60 1 -8 -27 16.80 3.40 1 -8 -27 14.00 4.10 1 -8 -27 9.70 3.60 7 1 -27 15.90 4.10 7 1 -27 20.70 5.40 -7 -1 27 20.30 4.70 -1 8 27 22.50 5.40 -7 -1 27 23.60 4.80 0 -8 -27 15.90 4.30 8 0 -27 15.50 4.10 0 -8 -27 19.60 3.90 -8 0 27 15.40 4.20 -8 0 27 16.00 4.30 -1 -8 -27 6.40 2.50 -1 -8 -27 5.10 3.00 9 -1 -27 7.40 3.40 -9 1 27 3.60 2.80 -2 -8 -27 13.10 4.10 10 -2 -27 27.60 6.20 -2 -8 -27 16.60 4.10 8 -10 27 12.20 4.20 -10 2 27 17.20 4.50 -3 -8 -27 142.79 11.50 -3 -8 -27 139.99 11.80 11 -3 -27 139.59 13.30 -11 3 27 148.79 12.40 8 -11 27 147.99 13.80 -4 -8 -27 152.38 17.70 12 -4 -27 143.09 13.50 8 -12 27 140.79 13.70 -5 -8 -27 9.50 3.80 8 -13 27 9.80 2.60 8 -13 27 11.40 5.30 -4 13 -27 3.40 2.90 4 -13 27 1.60 2.50 4 -13 27 1.80 4.40 4 -13 27 7.60 3.10 12 -9 -27 102.99 11.10 -3 12 -27 107.59 9.30 -9 -3 -27 112.09 10.30 3 -12 27 136.29 13.90 3 -12 27 133.59 9.40 -9 -2 -27 127.79 10.40 -2 11 -27 131.29 10.00 11 -9 -27 121.49 11.30 -11 9 27 120.49 11.30 2 -11 27 123.49 13.20 2 -11 27 113.89 9.00 10 -9 -27 8.90 4.00 -9 -1 -27 3.90 2.80 -1 10 -27 5.10 2.70 9 1 27 7.10 3.40 1 -10 27 5.50 2.60 1 -10 27 2.10 3.70 -10 9 27 -0.20 2.10 0 9 -27 5.80 3.50 -9 0 -27 1.70 2.10 0 9 -27 3.80 2.40 0 -9 27 6.50 2.70 -9 9 27 5.90 3.50 0 -9 27 7.10 4.00 9 0 27 0.80 3.70 1 8 -27 2.70 2.60 1 8 -27 4.10 2.20 -9 1 -27 7.10 2.40 8 -9 -27 7.60 3.50 -1 -8 27 4.90 2.50 -8 9 27 8.20 3.10 9 -1 27 3.70 2.60 -1 -8 27 0.70 2.90 2 7 -27 63.29 8.00 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4.00 3 7 -27 43.50 5.80 -10 3 -27 28.80 4.20 7 -10 -27 45.40 5.80 3 7 -27 40.40 7.20 10 -3 27 33.10 4.70 -3 -7 27 47.30 5.80 -3 -7 27 36.70 7.30 4 6 -27 162.88 15.60 6 -10 -27 165.98 11.50 -10 4 -27 158.78 9.60 6 -10 -27 158.38 13.10 4 6 -27 159.78 11.70 -4 -6 27 151.68 11.30 -4 -6 27 150.88 13.70 10 -4 27 150.98 9.60 5 5 -27 9.10 4.10 5 5 -27 8.40 6.30 5 -10 -27 7.50 4.20 -10 5 -27 14.60 2.70 5 -10 -27 13.70 3.70 -5 -5 27 16.90 4.50 10 -5 27 23.20 3.10 -5 -5 27 10.00 3.80 4 -10 -27 34.20 4.80 6 4 -27 37.90 7.10 4 -10 -27 31.30 6.60 -6 -4 27 24.60 5.70 10 -6 27 25.60 2.90 -6 -4 27 29.80 5.60 7 3 -27 56.99 9.30 -10 7 -27 47.50 2.90 3 -10 -27 51.39 6.00 3 -10 -27 50.49 9.40 -7 -3 27 47.60 8.10 -7 -3 27 46.50 6.30 2 -10 -27 3.60 2.70 2 -10 -27 2.60 2.30 8 2 -27 2.50 3.00 -8 -2 27 6.00 3.40 -8 -2 27 0.30 2.80 1 -10 -27 4.00 2.50 1 -10 -27 2.20 2.70 9 1 -27 6.80 3.70 -9 -1 27 2.50 3.10 -9 -1 27 1.80 3.00 0 -10 -27 4.50 2.50 10 0 -27 5.50 3.50 0 -10 -27 4.30 3.20 -10 0 27 7.70 3.90 11 -1 -27 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27.30 5.60 6 -12 -27 1.80 2.10 6 6 -27 1.30 2.90 -6 -6 27 1.10 2.80 12 -6 27 0.80 1.90 -6 -6 27 4.40 3.50 5 -12 -27 2.00 2.50 7 5 -27 3.00 3.10 -12 7 -27 -0.20 1.20 -7 -5 27 1.40 3.60 -7 -5 27 -2.00 2.20 12 -7 27 1.30 1.60 8 4 -27 24.10 6.40 -8 -4 27 20.70 6.70 12 -8 27 16.00 2.90 12 -8 27 12.90 2.20 9 3 -27 133.69 13.80 3 -12 -27 110.69 10.50 -9 -3 27 135.99 16.30 2 -12 -27 87.49 9.30 -10 -2 27 94.79 12.30 1 -12 -27 -0.40 2.40 -13 2 -27 34.50 5.90 -2 -11 27 37.50 9.30 10 -13 -27 3.40 3.30 -13 3 -27 7.10 3.40 -3 -10 27 6.60 5.60 -13 4 -27 49.99 6.20 9 -13 -27 60.39 7.90 13 -4 27 57.89 6.70 -4 -9 27 42.90 8.90 -13 5 -27 6.50 3.00 8 -13 -27 7.40 3.50 -5 -8 27 8.50 5.00 13 -5 27 8.00 3.20 7 -13 -27 4.50 3.10 -13 6 -27 6.40 2.70 -6 -7 27 1.30 3.60 13 -6 27 7.10 2.70 -13 7 -27 -0.30 1.60 6 -13 -27 -2.10 1.80 -7 -6 27 -5.10 2.90 13 -7 27 0.90 2.20 -13 8 -27 13.30 2.60 5 -13 -27 14.30 4.40 -8 -5 27 11.60 5.30 4 -13 -27 3.70 2.90 -9 -4 27 5.80 4.40 -10 -3 27 12.00 5.30 -14 6 -27 47.10 5.80 -7 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28 249.38 13.10 -2 2 28 284.57 14.70 -2 1 -28 348.07 16.50 1 -2 -28 366.06 18.40 1 1 -28 363.36 17.10 -2 1 -28 352.26 16.30 1 1 -28 342.97 16.80 2 -1 28 361.86 16.30 -1 -1 28 353.16 17.10 -1 2 28 355.66 17.60 -1 -1 28 342.57 16.90 -2 2 -28 281.67 12.40 -2 2 -28 263.87 12.60 0 -2 -28 265.67 14.10 0 -2 -28 270.67 14.70 2 0 -28 264.97 14.00 2 0 -28 262.07 13.30 -2 0 28 257.47 14.00 2 -2 28 269.37 13.40 -2 0 28 271.77 13.50 -1 -2 -28 463.85 22.80 3 -1 -28 501.85 23.00 -2 3 -28 457.15 20.60 -2 3 -28 469.85 20.30 3 -1 -28 504.65 22.10 2 -3 28 449.56 20.30 -3 1 28 488.95 22.00 -3 1 28 478.95 22.90 2 -3 28 460.85 22.40 -2 -2 -28 234.68 12.80 -2 -2 -28 234.08 13.00 4 -2 -28 226.28 13.10 -2 4 -28 237.78 10.50 4 -2 -28 225.08 12.20 2 -4 28 237.38 10.60 -4 2 28 229.58 13.30 2 2 28 215.78 10.70 2 -4 28 234.88 13.10 2 2 28 219.78 13.10 5 -3 -28 15.70 3.50 5 -3 -28 10.80 2.60 -3 -2 -28 11.20 2.80 -2 5 -28 14.50 1.80 2 -5 28 14.80 1.80 3 2 28 15.20 2.50 -5 3 28 13.70 3.30 2 -5 28 15.20 4.20 3 2 28 12.80 3.20 4 -3 -28 292.17 13.80 -3 -1 -28 286.37 14.20 -1 4 -28 276.37 12.80 -3 -1 -28 298.77 14.30 4 -3 -28 299.37 15.50 -4 3 28 264.27 15.00 1 -4 28 254.07 12.70 3 1 28 249.97 14.30 3 1 28 227.18 13.00 1 -4 28 245.28 14.70 -3 0 -28 40.20 3.70 0 3 -28 31.40 3.20 -3 0 -28 45.60 3.90 3 -3 -28 45.20 4.80 3 -3 -28 41.10 3.20 3 -3 -28 45.90 5.20 0 3 -28 34.90 4.00 3 0 28 37.90 3.90 0 -3 28 30.40 3.90 3 0 28 32.40 3.10 -3 3 28 36.00 4.30 -3 1 -28 465.85 21.40 1 2 -28 482.85 22.10 1 2 -28 500.15 23.10 -3 1 -28 450.65 21.40 2 -3 -28 503.15 23.60 2 -3 -28 486.55 24.00 -1 -2 28 487.95 22.30 -2 3 28 483.85 23.30 -1 -2 28 470.45 23.00 2 1 -28 644.24 29.60 2 1 -28 649.14 29.40 1 -3 -28 645.54 30.70 -3 2 -28 675.03 27.70 1 -3 -28 651.43 30.20 -3 2 -28 666.93 27.70 -2 -1 28 622.14 29.40 -2 -1 28 642.04 29.70 -1 3 28 649.83 30.10 0 -3 -28 38.60 4.30 0 -3 -28 41.80 4.70 -3 3 -28 40.50 2.30 3 0 -28 33.90 3.90 3 0 -28 33.80 3.80 0 3 28 32.70 4.20 -3 0 28 37.10 3.90 -3 0 28 34.80 4.10 3 -3 28 30.10 3.60 4 -1 -28 279.37 15.30 4 -1 -28 271.97 14.70 -1 -3 -28 250.47 14.70 -1 -3 -28 284.17 15.50 1 3 28 299.67 16.20 3 -4 28 259.37 14.90 -4 1 28 293.27 15.50 -4 1 28 290.37 14.80 -2 -3 -28 13.20 3.00 -2 -3 -28 17.10 3.50 5 -2 -28 19.90 3.90 5 -2 -28 14.20 3.00 2 3 28 17.50 3.70 3 -5 28 13.70 3.20 2 3 28 17.10 2.10 -5 2 28 19.80 3.80 -3 6 -28 8.40 1.30 -3 -3 -28 10.40 3.10 6 -3 -28 7.00 2.30 6 -3 -28 8.70 2.70 3 -6 28 7.60 2.60 3 3 28 8.50 2.00 3 -6 28 7.90 1.10 3 3 28 10.40 3.10 -6 3 28 8.90 3.10 -4 -3 -28 54.29 6.70 -3 7 -28 51.39 3.80 7 -4 -28 59.79 6.00 4 3 28 51.89 5.90 3 -7 28 53.09 3.70 3 -7 28 57.79 6.60 -7 4 28 59.99 6.40 6 -4 -28 9.00 2.80 -2 6 -28 7.00 1.60 6 -4 -28 11.90 2.90 -4 -2 -28 7.80 2.40 2 -6 28 8.90 3.20 -6 4 28 6.10 2.60 4 2 28 7.80 2.20 2 -6 28 6.90 1.60 4 2 28 6.70 2.50 5 -4 -28 267.27 15.80 -4 -1 -28 269.67 14.80 -1 5 -28 293.97 13.70 5 -4 -28 262.67 14.50 1 -5 28 312.77 13.90 4 1 28 286.07 14.50 4 1 28 288.77 15.50 -4 0 -28 794.52 34.40 4 -4 -28 790.82 36.10 0 4 -28 767.02 33.90 4 -4 -28 811.72 37.30 4 -4 -28 774.52 34.00 0 4 -28 708.23 37.40 -4 4 28 782.02 36.30 4 0 28 769.22 34.40 0 -4 28 783.92 34.10 0 -4 28 758.92 36.20 4 0 28 807.82 35.00 3 -4 -28 278.47 12.90 1 3 -28 268.47 15.10 -4 1 -28 260.07 13.20 3 -4 -28 295.27 15.70 -4 1 -28 264.37 13.30 3 -4 -28 278.07 16.20 1 3 -28 278.97 14.10 4 -1 28 275.37 13.80 -1 -3 28 275.57 14.10 -1 -3 28 266.37 15.30 -3 4 28 304.97 15.70 -4 2 -28 222.28 11.00 2 -4 -28 226.98 10.50 2 -4 -28 225.48 14.00 2 -4 -28 238.78 10.60 -4 2 -28 236.88 11.00 2 2 -28 246.58 14.10 2 2 -28 239.78 13.50 2 -4 -28 241.08 13.60 -2 -2 28 250.17 13.00 -2 -2 28 233.58 13.50 -2 4 28 235.88 13.50 -4 3 -28 289.77 12.20 3 1 -28 289.37 15.60 3 1 -28 291.07 15.30 -4 3 -28 283.67 12.10 1 -4 -28 307.47 16.00 1 -4 -28 300.87 16.40 -3 -1 28 276.07 15.50 -3 -1 28 261.37 15.00 4 0 -28 794.92 36.00 4 0 -28 759.12 35.60 0 -4 -28 763.72 36.30 0 -4 -28 785.42 36.10 0 4 28 796.72 37.00 -4 0 28 785.72 35.90 -4 0 28 789.12 35.90 -1 -4 -28 379.76 20.10 5 -1 -28 358.86 19.50 -1 -4 -28 370.06 19.70 -1 -4 -28 355.76 17.00 5 -1 -28 374.06 19.70 1 4 28 381.76 20.70 -5 1 28 409.46 20.00 4 -5 28 381.36 20.10 -5 1 28 397.36 20.00 1 4 28 386.86 17.20 6 -2 -28 92.59 7.80 6 -2 -28 102.79 8.10 -2 -4 -28 88.49 8.00 -2 -4 -28 91.69 6.30 -2 -4 -28 93.09 7.70 2 4 28 107.89 8.80 -6 2 28 114.89 8.50 2 4 28 112.59 6.70 -3 -4 -28 70.69 5.70 7 -3 -28 59.19 6.40 7 -3 -28 76.49 13.00 -3 -4 -28 64.19 6.70 -7 3 28 75.49 7.20 4 -7 28 78.29 7.70 3 4 28 80.09 7.40 8 -4 -28 265.97 15.80 -4 8 -28 255.17 11.50 8 -4 -28 232.08 15.30 -4 -4 -28 244.88 15.00 4 -8 28 232.98 11.20 -8 4 28 248.38 15.60 4 -8 28 242.08 11.30 4 -8 28 243.58 16.40 4 4 28 246.98 15.70 -4 9 -28 307.77 14.40 9 -5 -28 283.87 17.90 -5 -4 -28 290.37 17.50 5 4 28 293.07 18.20 4 -9 28 284.77 14.00 -9 5 28 293.97 18.20 4 -9 28 296.37 19.30 -3 8 -28 71.29 5.00 8 -5 -28 54.39 6.60 8 -5 -28 61.09 6.60 -5 -3 -28 63.09 6.60 3 -8 28 70.59 4.70 -8 5 28 68.29 7.30 5 3 28 66.59 7.00 3 -8 28 72.59 8.10 7 -5 -28 103.49 8.30 7 -5 -28 98.89 8.70 -5 -2 -28 113.29 8.40 -2 7 -28 98.49 6.60 2 -7 28 107.09 6.60 -7 5 28 118.89 9.30 5 2 28 132.49 9.40 2 -7 28 106.09 9.40 6 -5 -28 155.78 10.00 6 -5 -28 148.09 10.70 -1 6 -28 153.98 8.80 -5 -1 -28 159.38 9.90 5 1 28 167.98 10.60 1 -6 28 150.78 11.30 1 -6 28 151.18 8.70 -6 5 28 151.08 10.80 5 -5 -28 351.46 17.90 0 5 -28 389.46 20.20 5 -5 -28 350.06 20.30 5 -5 -28 344.77 19.50 0 5 -28 363.46 17.40 -5 0 -28 353.36 17.70 0 -5 28 374.06 17.60 5 0 28 351.16 18.50 5 0 28 339.87 18.10 -5 5 28 380.96 19.90 0 -5 28 365.86 20.70 4 -5 -28 380.96 20.10 1 4 -28 363.06 18.60 4 -5 -28 377.86 23.30 -5 1 -28 390.76 17.80 1 4 -28 371.16 20.10 5 -1 28 381.26 19.10 -1 -4 28 361.46 18.20 5 -1 28 384.76 18.30 -5 2 -28 13.70 2.20 3 -5 -28 16.80 2.10 -5 2 -28 15.00 2.00 3 -5 -28 21.90 4.30 3 -5 -28 19.70 3.80 2 3 -28 14.80 2.90 5 -2 28 19.90 2.50 -2 -3 28 18.40 3.30 -2 -3 28 18.30 3.80 2 -5 -28 11.60 1.60 3 2 -28 10.00 2.60 3 2 -28 14.50 3.00 -5 3 -28 10.90 1.30 2 -5 -28 14.40 3.30 -5 3 -28 12.00 1.30 -3 -2 28 14.50 3.30 -3 -2 28 14.20 3.10 1 -5 -28 279.57 13.30 1 -5 -28 291.97 16.30 4 1 -28 282.67 15.70 4 1 -28 294.57 16.40 1 -5 -28 245.08 16.60 -4 -1 28 295.67 15.80 -1 5 28 313.37 17.40 -4 -1 28 297.07 16.40 0 -5 -28 344.87 16.50 5 0 -28 337.77 19.30 5 0 -28 359.26 19.10 0 -5 -28 359.96 21.70 0 -5 -28 353.86 19.20 -5 0 28 353.46 20.60 -5 0 28 376.26 19.50 0 5 28 381.06 20.40 6 -1 -28 72.19 6.80 -1 -5 -28 73.69 7.20 -1 -5 -28 66.39 6.50 -1 -5 -28 66.29 5.10 6 -1 -28 72.99 6.80 1 5 28 61.29 4.90 1 5 28 56.99 6.70 -6 1 28 76.59 7.20 -2 -5 -28 298.07 16.10 7 -2 -28 285.07 19.70 -2 -5 -28 318.77 18.20 -2 -5 -28 300.27 17.80 7 -2 -28 315.87 18.40 -7 2 28 346.27 18.60 2 5 28 351.86 19.30 5 -7 28 334.57 19.10 8 -3 -28 134.79 10.80 -3 -5 -28 148.09 11.20 -3 -5 -28 133.29 9.50 8 -3 -28 150.28 11.60 3 5 28 157.98 11.90 -8 3 28 165.28 11.60 5 -8 28 166.48 12.50 -4 -5 -28 163.18 10.80 9 -4 -28 135.79 16.30 -4 -5 -28 164.48 11.60 5 -9 28 138.69 6.90 -9 4 28 136.59 11.30 4 5 28 159.48 12.10 5 -9 28 144.19 6.90 5 -9 28 143.09 12.40 -5 -5 -28 115.89 9.70 10 -5 -28 114.69 10.40 -5 -5 -28 108.69 9.00 5 -10 28 101.29 6.10 5 -10 28 103.79 10.80 5 -10 28 96.09 5.90 -6 -5 -28 21.00 4.90 11 -6 -28 10.10 3.70 -5 11 -28 18.00 3.00 5 -11 28 19.90 6.20 -11 6 28 16.50 4.50 5 -11 28 15.00 2.60 5 -11 28 19.90 3.10 10 -6 -28 45.70 6.40 -4 10 -28 41.30 4.40 -6 -4 -28 53.39 6.60 4 -10 28 45.50 4.30 4 -10 28 38.10 6.90 4 -10 28 50.19 4.30 9 -6 -28 77.69 7.90 -3 9 -28 64.59 5.60 -6 -3 -28 69.59 6.90 -9 6 28 63.79 7.40 6 3 28 71.89 7.50 3 -9 28 71.69 5.40 3 -9 28 71.29 8.50 -6 -2 -28 258.57 15.20 8 -6 -28 245.28 15.80 -2 8 -28 277.57 13.90 8 -6 -28 264.27 16.30 2 -8 28 264.37 13.50 -8 6 28 249.88 16.20 2 -8 28 264.77 17.50 6 2 28 259.47 15.90 -1 7 -28 397.16 20.60 7 -6 -28 407.96 23.10 7 -6 -28 422.26 22.30 -6 -1 -28 426.86 21.70 1 -7 28 449.46 20.80 1 -7 28 453.55 24.70 -7 6 28 445.66 23.60 6 1 28 465.15 22.80 0 6 -28 94.49 7.00 -6 0 -28 104.39 7.30 0 6 -28 87.49 8.60 6 -6 -28 96.49 9.20 0 -6 28 99.19 9.10 0 -6 28 100.89 7.00 6 0 28 117.89 8.20 -6 6 28 103.79 8.80 1 5 -28 75.29 7.20 1 5 -28 81.49 6.00 5 -6 -28 60.79 6.60 -6 1 -28 62.49 5.10 5 -6 -28 70.09 7.50 -5 6 28 65.79 6.80 -1 -5 28 67.99 7.10 6 -1 28 57.59 5.40 -1 -5 28 66.49 5.70 -6 2 -28 95.39 5.90 2 4 -28 90.39 6.90 4 -6 -28 90.99 8.00 2 4 -28 84.49 7.80 4 -6 -28 94.09 8.60 -2 -4 28 85.09 10.10 -2 -4 28 118.39 7.70 -4 6 28 104.09 8.30 6 -2 28 107.29 6.60 3 -6 -28 12.50 2.40 3 3 -28 6.20 2.30 -6 3 -28 10.20 1.60 3 3 -28 7.60 2.50 3 -6 -28 10.20 3.50 3 -6 -28 13.20 3.30 6 -3 28 11.00 1.80 -3 -3 28 10.60 2.90 4 2 -28 8.20 2.60 2 -6 -28 7.20 1.90 2 -6 -28 8.20 2.80 2 -6 -28 9.80 3.30 4 2 -28 10.50 3.10 -4 -2 28 4.40 2.20 5 1 -28 158.18 10.50 1 -6 -28 153.88 11.30 1 -6 -28 153.48 8.80 5 1 -28 159.08 11.30 1 -6 -28 152.18 10.90 -5 -1 28 159.28 10.70 -1 6 28 153.58 11.70 6 0 -28 84.39 8.10 6 0 -28 82.79 7.60 0 -6 -28 104.59 9.00 0 -6 -28 93.79 8.30 0 -6 -28 96.39 6.60 -6 0 28 111.79 8.70 0 6 28 111.39 9.40 -1 -6 -28 82.49 7.90 7 -1 -28 80.59 7.60 -1 -6 -28 87.99 8.10 -1 -6 -28 85.19 6.50 7 -1 -28 77.99 7.80 -7 1 28 98.69 8.40 1 6 28 91.59 9.00 6 -7 28 82.69 8.00 8 -2 -28 254.67 16.20 -2 -6 -28 260.97 14.80 -2 -6 -28 263.57 16.50 8 -2 -28 245.78 16.60 6 -8 28 278.87 17.70 -8 2 28 278.97 16.80 2 6 28 290.47 17.90 -3 -6 -28 10.40 3.00 -3 -6 -28 10.20 3.30 9 -3 -28 9.00 3.60 6 -9 28 15.60 4.70 -9 3 28 8.10 3.40 3 6 28 6.50 4.00 -4 -6 -28 55.29 6.80 -4 -6 -28 48.80 5.90 10 -4 -28 45.70 6.50 6 -10 28 33.40 7.20 -10 4 28 32.60 7.60 -5 -6 -28 15.90 4.30 -5 -6 -28 20.00 4.60 11 -5 -28 26.10 6.10 6 -11 28 18.80 2.30 6 -11 28 16.20 2.10 6 -11 28 24.90 6.60 -11 5 28 21.70 5.30 -6 -6 -28 4.20 3.20 -6 -6 -28 0.60 2.30 12 -6 -28 0.00 2.20 6 -12 28 -1.50 1.40 6 -12 28 0.80 1.40 6 -12 28 2.00 3.80 6 -13 28 22.70 7.10 6 -13 28 11.70 2.80 6 -13 28 10.60 3.40 -5 12 -28 -0.30 1.40 12 -7 -28 5.90 3.50 -7 -5 -28 3.20 2.50 5 -12 28 0.30 1.60 5 -12 28 7.30 4.70 5 -12 28 -0.10 1.60 -7 -4 -28 16.10 6.60 -4 11 -28 16.00 3.30 4 -11 28 17.90 3.30 4 -11 28 21.30 3.50 4 -11 28 19.70 7.30 -11 7 28 13.20 4.30 -3 10 -28 149.49 10.10 10 -7 -28 172.28 13.10 -7 -3 -28 161.58 11.80 7 3 28 180.38 13.50 -10 7 28 170.78 13.10 3 -10 28 162.38 14.40 3 -10 28 159.68 9.90 9 -7 -28 19.80 4.90 -2 9 -28 18.20 3.50 -7 -2 -28 16.40 3.90 2 -9 28 10.50 4.10 7 2 28 27.30 5.40 -9 7 28 24.30 5.50 2 -9 28 18.70 3.40 -7 -1 -28 199.28 12.60 8 -7 -28 200.08 13.50 -1 8 -28 215.18 12.40 7 1 28 198.88 13.40 1 -8 28 220.58 12.10 -8 7 28 202.28 14.20 1 -8 28 210.68 15.30 -7 0 -28 108.09 7.80 7 -7 -28 114.29 9.90 0 7 -28 100.99 7.60 7 -7 -28 108.89 9.30 0 7 -28 89.19 9.20 7 0 28 105.69 8.30 -7 7 28 105.49 9.20 0 -7 28 112.89 10.30 0 -7 28 99.09 7.50 6 -7 -28 68.49 8.10 -7 1 -28 78.49 6.30 6 -7 -28 80.89 7.70 1 6 -28 76.19 6.60 1 6 -28 78.09 8.20 -6 7 28 88.19 8.10 7 -1 28 92.39 7.10 -1 -6 28 87.49 8.80 -1 -6 28 95.99 7.10 2 5 -28 332.87 19.50 2 5 -28 326.47 17.40 -7 2 -28 298.07 15.90 5 -7 -28 294.67 19.00 5 -7 -28 296.47 18.40 7 -2 28 333.37 16.60 -2 -5 28 336.87 19.70 -2 -5 28 363.36 17.90 -5 7 28 378.96 19.50 3 4 -28 64.29 6.20 4 -7 -28 71.49 7.60 4 -7 -28 73.59 5.80 -7 3 -28 63.09 4.80 3 4 -28 66.89 7.30 -3 -4 28 83.49 8.10 -3 -4 28 81.49 6.80 7 -3 28 84.79 5.40 4 3 -28 56.39 5.70 -7 4 -28 58.99 3.50 3 -7 -28 54.49 6.60 3 -7 -28 56.49 4.80 4 3 -28 51.39 6.20 -4 -3 28 60.29 6.70 -4 -3 28 59.99 6.00 7 -4 28 49.90 3.50 2 -7 -28 97.29 8.90 2 -7 -28 110.69 7.30 2 -7 -28 98.79 9.10 5 2 -28 105.09 9.30 5 2 -28 104.89 8.50 -5 -2 28 118.99 9.00 -2 7 28 120.89 10.10 -5 -2 28 98.99 9.50 6 1 -28 422.36 24.30 1 -7 -28 439.06 24.30 1 -7 -28 408.46 21.30 1 -7 -28 416.06 23.60 -6 -1 28 517.35 29.70 -6 -1 28 487.75 23.90 -1 7 28 467.05 25.20 7 0 -28 103.79 9.60 0 -7 -28 103.59 7.50 0 -7 -28 101.19 9.00 7 0 -28 96.39 8.70 0 -7 -28 98.59 8.90 -7 0 28 114.49 9.20 0 7 28 119.29 10.30 8 -1 -28 56.99 8.80 8 -1 -28 77.69 8.50 -1 -7 -28 81.59 8.00 -1 -7 -28 88.19 8.20 -1 -7 -28 82.69 6.80 -8 1 28 64.59 7.30 1 7 28 69.29 8.10 -2 -7 -28 55.99 6.00 9 -2 -28 65.79 7.90 -2 -7 -28 59.79 7.20 -9 2 28 57.89 7.10 7 -9 28 58.39 7.80 -3 -7 -28 162.58 11.50 10 -3 -28 164.88 13.60 -3 -7 -28 165.88 14.30 -10 3 28 165.48 12.90 7 -10 28 147.09 13.50 -4 -7 -28 139.09 11.70 11 -4 -28 144.29 13.10 -4 -7 -28 127.29 10.70 7 -11 28 164.58 14.00 -11 4 28 129.99 11.50 12 -5 -28 39.90 8.10 7 -12 28 25.90 2.40 7 -12 28 21.60 2.30 7 -12 28 17.40 5.80 -6 -7 -28 10.60 4.00 7 -13 28 15.60 6.70 7 -13 28 14.00 2.90 -5 13 -28 24.20 5.50 5 -13 28 16.40 5.90 5 -13 28 18.80 3.70 5 -13 28 19.50 4.10 -8 -4 -28 17.20 4.60 12 -8 -28 31.60 7.10 -4 12 -28 19.80 3.90 4 -12 28 20.60 3.90 4 -12 28 20.00 3.60 4 -12 28 22.20 6.40 -3 11 -28 82.39 7.30 -8 -3 -28 71.99 7.70 11 -8 -28 78.99 8.90 3 -11 28 85.79 10.80 -11 8 28 80.59 9.20 3 -11 28 85.99 6.90 10 -8 -28 110.59 10.30 -8 -2 -28 106.99 9.20 -2 10 -28 98.39 8.10 -10 8 28 125.69 10.60 2 -10 28 101.99 11.10 8 2 28 108.89 9.90 2 -10 28 105.69 8.00 9 -8 -28 11.30 4.50 -1 9 -28 7.50 2.70 -8 -1 -28 4.00 2.50 1 -9 28 8.60 2.70 1 -9 28 12.40 4.80 -9 8 28 6.30 3.50 8 1 28 7.30 3.90 -8 0 -28 34.80 4.70 0 8 -28 32.90 6.20 8 -8 -28 39.60 7.40 0 8 -28 38.60 4.80 0 -8 28 32.80 6.30 -8 8 28 50.09 6.40 0 -8 28 37.20 4.60 8 0 28 35.20 5.10 1 7 -28 79.19 6.70 7 -8 -28 68.49 9.20 -8 1 -28 77.79 6.40 1 7 -28 84.89 8.70 7 -8 -28 87.19 8.90 8 -1 28 58.39 6.00 -1 -7 28 58.59 7.80 -7 8 28 57.19 6.90 -1 -7 28 64.99 6.30 -8 2 -28 248.88 13.80 2 6 -28 271.67 17.50 6 -8 -28 248.18 16.30 6 -8 -28 254.07 17.30 2 6 -28 278.47 15.40 -2 -6 28 265.87 16.70 8 -2 28 261.47 14.40 -2 -6 28 293.17 18.20 -6 8 28 261.87 16.50 5 -8 -28 150.88 11.70 -8 3 -28 136.19 8.60 5 -8 -28 151.08 10.10 5 -8 -28 151.78 12.30 3 5 -28 159.98 10.80 3 5 -28 154.78 12.30 -3 -5 28 187.38 13.60 8 -3 28 156.68 9.30 -3 -5 28 170.78 11.10 4 -8 -28 243.68 13.80 -8 4 -28 246.08 12.50 4 4 -28 250.27 16.50 4 4 -28 258.07 14.90 4 -8 -28 258.77 16.50 4 -8 -28 247.58 15.70 -4 -4 28 243.68 14.80 8 -4 28 232.38 12.10 -4 -4 28 243.98 16.50 3 -8 -28 52.59 7.10 5 3 -28 56.99 7.20 3 -8 -28 48.50 6.50 -8 5 -28 68.19 3.60 3 -8 -28 56.39 5.60 8 -5 28 73.89 3.80 -5 -3 28 68.79 7.80 -5 -3 28 65.19 6.70 6 2 -28 284.97 16.70 2 -8 -28 284.37 17.50 2 -8 -28 272.07 17.50 6 2 -28 282.27 18.00 2 -8 -28 279.97 15.30 -2 8 28 270.27 18.00 -6 -2 28 277.47 16.70 -6 -2 28 284.67 18.00 7 1 -28 195.68 14.80 7 1 -28 198.68 13.60 1 -8 -28 205.88 12.40 1 -8 -28 210.48 16.20 1 -8 -28 219.58 14.70 -1 8 28 182.08 17.00 -7 -1 28 212.48 13.90 -7 -1 28 210.98 14.90 8 0 -28 37.90 7.20 0 -8 -28 37.90 4.80 0 -8 -28 34.90 6.40 -8 0 28 40.20 5.60 -8 0 28 37.20 6.90 9 -1 -28 6.20 2.90 -1 -8 -28 6.50 3.30 -1 -8 -28 6.50 2.70 -9 1 28 4.60 2.90 -2 -8 -28 41.40 5.30 -2 -8 -28 31.60 6.50 10 -2 -28 28.70 6.00 8 -10 28 37.10 7.10 -10 2 28 46.50 6.50 -3 -8 -28 45.50 6.10 -3 -8 -28 46.30 7.00 11 -3 -28 37.10 7.40 -11 3 28 42.50 7.60 8 -11 28 40.60 7.60 -4 -8 -28 7.50 3.10 12 -4 -28 6.90 4.40 8 -12 28 2.40 3.50 -5 -8 -28 65.09 8.10 8 -13 28 50.39 9.60 -4 13 -28 64.79 7.50 4 -13 28 80.59 11.50 4 -13 28 70.49 6.70 4 -13 28 73.39 7.00 -3 12 -28 20.50 4.50 -9 -3 -28 33.90 6.30 12 -9 -28 33.60 7.70 3 -12 28 32.10 4.80 3 -12 28 26.60 7.50 -9 -2 -28 38.40 5.70 -2 11 -28 44.10 5.70 11 -9 -28 35.50 7.10 2 -11 28 47.20 5.60 2 -11 28 59.69 10.90 -1 10 -28 41.10 5.60 -9 -1 -28 60.09 6.60 10 -9 -28 43.10 8.00 1 -10 28 47.70 5.60 -10 9 28 49.20 6.80 9 1 28 48.80 6.60 1 -10 28 53.79 12.60 0 9 -28 13.50 4.70 0 9 -28 14.30 3.50 -9 0 -28 11.50 3.20 9 -9 -28 11.30 4.30 0 -9 28 12.70 3.40 0 -9 28 4.50 3.90 -9 9 28 9.40 3.60 1 8 -28 6.20 3.50 -9 1 -28 9.40 2.80 1 8 -28 6.80 2.80 -1 -8 28 4.90 3.30 9 -1 28 1.20 2.10 -8 9 28 0.10 2.20 -1 -8 28 5.20 2.70 -9 2 -28 61.99 5.70 2 7 -28 53.99 6.20 7 -9 -28 61.49 7.80 2 7 -28 55.59 7.80 -2 -7 28 70.29 6.80 9 -2 28 70.19 6.30 -2 -7 28 66.99 8.50 -7 9 28 62.69 7.70 3 6 -28 10.00 4.00 6 -9 -28 9.00 4.00 3 6 -28 5.40 5.10 6 -9 -28 14.70 3.30 -9 3 -28 14.30 2.80 -3 -6 28 6.60 3.00 9 -3 28 11.70 3.00 -3 -6 28 9.90 4.20 5 -9 -28 144.39 10.10 5 -9 -28 139.29 12.20 -9 4 -28 136.69 8.30 4 5 -28 154.88 11.00 4 5 -28 164.58 12.90 -4 -5 28 151.28 12.80 9 -4 28 141.39 8.70 -4 -5 28 145.59 10.70 4 -9 -28 289.27 16.10 5 4 -28 293.47 19.10 -9 5 -28 289.17 13.70 4 -9 -28 291.57 18.80 5 4 -28 294.47 17.20 -5 -4 28 268.57 18.80 9 -5 28 297.57 13.90 -5 -4 28 298.87 17.60 6 3 -28 71.19 8.20 6 3 -28 65.99 7.00 3 -9 -28 72.49 8.10 3 -9 -28 68.99 6.50 -6 -3 28 69.19 8.30 -6 -3 28 70.19 7.70 2 -9 -28 23.60 4.60 7 2 -28 19.50 5.50 2 -9 -28 16.40 4.90 -7 -2 28 22.90 5.00 -7 -2 28 25.80 5.60 8 1 -28 9.50 3.40 1 -9 -28 7.60 2.90 1 -9 -28 -0.60 3.40 -8 -1 28 10.50 4.20 -8 -1 28 7.20 3.30 9 0 -28 12.90 4.20 0 -9 -28 14.40 3.60 0 -9 -28 12.00 3.90 -9 0 28 7.30 3.50 -1 -9 -28 3.80 2.50 10 -1 -28 12.00 4.30 -1 -9 -28 2.70 2.70 -10 1 28 3.60 3.00 -2 -9 -28 74.79 7.90 11 -2 -28 68.69 9.30 9 -11 28 72.99 9.70 -3 -9 -28 32.40 6.00 9 -12 28 47.00 9.60 -4 -9 -28 18.80 5.10 9 -13 28 12.80 6.10 -3 13 -28 33.30 6.00 3 -13 28 35.50 9.00 3 -13 28 44.10 5.80 -10 -2 -28 17.10 4.40 -2 12 -28 5.40 3.10 2 -12 28 14.10 3.80 2 -12 28 8.40 5.50 -10 -1 -28 58.99 7.20 -1 11 -28 69.59 7.50 1 -11 28 66.99 6.90 1 -11 28 63.99 11.00 0 10 -28 32.80 5.70 -10 0 -28 25.50 4.90 10 -10 -28 26.60 6.60 0 10 -28 31.00 6.40 0 -10 28 37.80 8.20 -10 10 28 22.00 5.60 0 -10 28 27.40 5.00 10 0 28 22.90 5.30 1 9 -28 3.70 3.20 -10 1 -28 9.40 3.20 9 -10 -28 7.40 4.10 1 9 -28 0.70 2.80 -1 -9 28 2.40 3.40 -1 -9 28 6.40 2.90 -9 10 28 8.60 3.70 2 8 -28 38.40 5.60 8 -10 -28 24.50 6.00 -10 2 -28 33.40 5.20 2 8 -28 27.10 5.70 -2 -8 28 40.00 7.40 -2 -8 28 56.99 6.30 -8 10 28 39.00 6.90 10 -2 28 45.30 5.50 3 7 -28 146.89 11.50 7 -10 -28 175.28 12.00 -10 3 -28 153.28 10.20 7 -10 -28 166.48 14.20 3 7 -28 179.38 14.60 -3 -7 28 166.48 11.90 -3 -7 28 170.68 14.70 10 -3 28 176.28 10.90 4 6 -28 49.00 6.30 4 6 -28 61.69 11.00 -10 4 -28 42.10 4.40 6 -10 -28 55.29 6.20 10 -4 28 44.60 4.60 -4 -6 28 29.30 6.50 -4 -6 28 39.50 5.60 -10 5 -28 113.79 7.00 5 5 -28 131.49 11.70 5 -10 -28 114.99 9.10 -5 -5 28 103.69 9.20 10 -5 28 97.39 6.90 -5 -5 28 100.79 10.80 6 4 -28 62.49 9.90 4 -10 -28 57.69 6.30 -10 6 -28 58.19 4.20 -6 -4 28 55.09 7.10 -6 -4 28 51.49 7.90 10 -6 28 61.09 4.30 7 3 -28 163.18 14.10 3 -10 -28 159.88 13.30 3 -10 -28 165.28 11.70 -7 -3 28 176.98 14.40 -7 -3 28 187.68 13.20 2 -10 -28 107.99 9.10 8 2 -28 85.29 10.20 2 -10 -28 108.99 10.50 -8 -2 28 117.49 10.30 -8 -2 28 108.59 11.00 9 1 -28 54.39 8.10 1 -10 -28 49.10 6.00 1 -10 -28 38.30 7.00 -9 -1 28 38.30 7.20 -9 -1 28 55.49 7.10 0 -10 -28 22.80 4.80 10 0 -28 21.50 5.30 11 -1 -28 29.60 7.00 -1 -10 -28 40.90 6.10 10 -11 28 31.50 6.90 -2 -10 -28 76.79 8.80 10 -12 28 91.09 11.60 10 -13 28 31.50 7.90 -11 -1 -28 53.09 7.00 1 -12 28 52.09 9.80 1 -12 28 79.19 7.80 -11 0 -28 49.20 6.60 0 -11 28 45.50 9.00 0 -11 28 69.79 7.40 1 10 -28 56.39 9.60 -11 1 -28 39.60 5.70 -1 -10 28 33.70 8.40 11 -1 28 39.40 6.70 -1 -10 28 35.70 6.20 2 9 -28 66.19 9.50 9 -11 -28 66.39 12.00 -11 2 -28 76.49 7.10 11 -2 28 84.29 8.10 -2 -9 28 76.19 7.80 -2 -9 28 75.19 10.50 8 -11 -28 51.29 6.60 -11 3 -28 49.00 5.50 3 8 -28 40.40 7.40 8 -11 -28 39.90 8.00 -3 -8 28 53.69 10.50 -3 -8 28 48.10 6.40 11 -3 28 44.30 5.60 7 -11 -28 152.38 11.60 4 7 -28 140.69 13.50 -11 4 -28 138.89 9.40 7 -11 -28 140.49 13.00 -4 -7 28 140.59 13.70 -4 -7 28 155.48 11.70 11 -4 28 136.09 9.70 6 -11 -28 24.10 6.00 -11 5 -28 18.00 3.30 5 6 -28 12.80 4.60 6 -11 -28 23.20 5.00 11 -5 28 27.40 3.70 -5 -6 28 25.10 5.30 -5 -6 28 19.20 5.60 6 5 -28 13.60 4.20 5 -11 -28 14.60 4.80 5 -11 -28 18.70 4.30 -11 6 -28 14.80 2.50 -6 -5 28 19.40 5.90 11 -6 28 14.90 2.70 -6 -5 28 13.60 5.00 4 -11 -28 16.70 4.00 -11 7 -28 13.90 2.20 4 -11 -28 13.30 4.70 7 4 -28 15.60 4.80 -7 -4 28 22.10 6.40 11 -7 28 14.80 2.30 -7 -4 28 18.40 5.10 8 3 -28 84.29 10.30 3 -11 -28 72.39 7.70 3 -11 -28 75.29 9.20 -8 -3 28 88.99 10.80 -8 -3 28 84.59 8.90 2 -11 -28 42.20 5.90 9 2 -28 38.20 8.10 -9 -2 28 49.70 9.00 10 1 -28 66.09 9.50 1 -11 -28 58.89 7.30 -10 -1 28 50.49 9.40 0 -11 -28 45.20 6.70 -1 -11 -28 1.80 2.70 11 -12 28 -2.40 3.20 -12 0 -28 22.20 5.20 0 -12 28 22.80 5.30 0 -12 28 22.20 7.40 -1 -11 28 6.10 3.60 -1 -11 28 5.50 5.40 -12 2 -28 78.59 8.00 -2 -10 28 81.99 8.50 -2 -10 28 87.79 11.60 -12 3 -28 44.10 5.60 9 -12 -28 33.20 6.50 3 9 -28 29.50 6.80 12 -3 28 37.70 6.10 -3 -9 28 27.90 5.70 -3 -9 28 36.50 8.30 -12 4 -28 4.40 2.40 8 -12 -28 13.10 4.40 4 8 -28 9.40 4.80 12 -4 28 5.30 2.70 -4 -8 28 10.60 3.70 -4 -8 28 0.70 4.20 -12 5 -28 27.80 4.00 5 7 -28 29.30 7.10 -5 -7 28 22.40 5.20 12 -5 28 21.60 4.10 -5 -7 28 15.80 5.40 6 6 -28 -0.20 2.90 -12 6 -28 0.30 1.60 12 -6 28 1.50 1.90 -6 -6 28 4.40 2.90 -6 -6 28 -2.90 2.40 7 5 -28 6.80 4.00 -12 7 -28 0.20 1.20 -7 -5 28 1.60 3.10 12 -7 28 0.40 1.50 8 4 -28 20.20 6.30 4 -12 -28 14.10 4.10 -12 8 -28 23.00 2.40 12 -8 28 22.00 2.60 12 -8 28 21.60 2.40 -8 -4 28 12.40 6.00 3 -12 -28 27.40 5.70 -9 -3 28 22.30 6.80 2 -12 -28 13.60 4.00 -10 -2 28 14.00 6.30 1 -12 -28 63.19 8.00 -13 3 -28 24.10 4.90 -3 -10 28 30.30 8.80 9 -13 -28 24.70 5.90 -13 4 -28 18.50 4.20 13 -4 28 26.50 5.00 -4 -9 28 18.80 7.30 -13 5 -28 62.69 6.40 8 -13 -28 76.99 8.70 -5 -8 28 69.59 10.60 13 -5 28 57.69 6.60 7 -13 -28 13.80 4.30 -13 6 -28 14.40 3.40 -6 -7 28 21.80 7.20 13 -6 28 12.90 3.70 6 -13 -28 9.90 3.80 -13 7 -28 15.10 3.10 -7 -6 28 10.80 5.10 13 -7 28 8.80 3.20 -13 8 -28 22.50 3.90 5 -13 -28 20.70 5.00 -8 -5 28 19.30 6.60 4 -13 -28 69.19 8.50 -9 -4 28 74.19 12.20 -10 -3 28 51.29 9.90 0 0 -29 7.60 1.90 0 0 29 8.30 1.20 -1 0 -29 723.23 32.10 1 -1 -29 749.33 33.40 1 -1 -29 755.72 32.80 -1 0 -29 732.23 32.40 0 1 -29 741.63 31.90 0 -1 29 707.23 31.70 -1 1 29 720.13 32.60 1 0 29 712.93 30.40 0 -1 29 716.13 31.90 -1 1 -29 720.53 31.90 -1 1 -29 723.43 32.40 0 -1 -29 782.62 33.10 0 -1 -29 739.73 33.40 1 0 -29 764.62 32.80 1 0 -29 761.42 31.60 -1 0 29 719.73 32.80 0 1 29 702.03 32.70 1 -1 29 726.93 32.00 2 -1 -29 700.63 31.10 -1 -1 -29 658.13 30.80 -1 -1 -29 694.73 30.60 -1 2 -29 727.83 29.50 2 -1 -29 708.13 29.30 1 -2 29 664.93 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-30 177.18 9.40 -2 -1 -30 182.98 10.80 3 -2 -30 194.68 9.90 3 -2 -30 197.38 11.50 -2 -1 -30 194.88 10.70 1 -3 30 188.08 9.60 1 -3 30 190.38 11.10 -3 2 30 199.48 11.60 2 1 30 186.08 8.80 2 1 30 191.08 11.20 0 2 -30 123.19 7.80 0 2 -30 124.29 7.30 2 -2 -30 127.29 9.00 2 -2 -30 134.69 8.60 -2 0 -30 131.99 7.70 2 -2 -30 139.69 7.10 -2 0 -30 135.79 7.90 0 -2 30 113.09 7.80 0 -2 30 105.29 7.10 -2 2 30 124.49 8.50 2 0 30 128.69 6.50 1 1 -30 166.48 9.20 1 -2 -30 160.88 9.70 1 -2 -30 153.08 10.00 -2 1 -30 152.58 8.30 1 1 -30 151.98 8.80 2 -1 30 141.89 8.20 -1 -1 30 166.38 9.10 -1 -1 30 152.28 9.00 -1 2 30 166.68 9.80 2 0 -30 135.49 7.80 0 -2 -30 144.09 8.70 -2 2 -30 129.39 6.90 0 -2 -30 144.89 9.20 2 0 -30 146.19 8.80 -2 2 -30 126.49 7.20 -2 0 30 125.09 8.40 -2 0 30 128.99 7.80 2 -2 30 110.39 7.50 3 -1 -30 216.58 12.10 -1 -2 -30 223.08 12.00 3 -1 -30 217.58 11.20 -2 3 -30 217.88 9.80 -1 -2 -30 221.28 12.30 -2 3 -30 212.48 10.10 -3 1 30 205.68 11.00 1 2 30 185.38 12.00 2 -3 30 189.38 11.40 -3 1 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205.28 12.20 -1 -2 30 198.98 11.20 -1 -2 30 176.58 11.40 -3 2 -30 178.08 9.10 2 1 -30 204.78 11.10 1 -3 -30 183.88 11.30 1 -3 -30 176.28 11.70 2 1 -30 195.08 10.90 -3 2 -30 179.98 9.20 -1 3 30 196.18 11.50 -2 -1 30 196.08 11.00 -2 -1 30 200.58 11.00 3 0 -30 372.26 18.30 0 -3 -30 384.66 19.60 -3 3 -30 355.56 15.80 3 0 -30 390.26 19.00 0 -3 -30 351.96 18.70 -3 3 -30 351.06 15.90 3 -3 30 379.96 18.50 -3 0 30 366.96 18.30 -3 0 30 389.76 19.10 -1 -3 -30 113.59 8.10 4 -1 -30 108.49 8.10 4 -1 -30 116.89 7.90 -1 -3 -30 123.89 8.60 -4 1 30 103.59 7.60 3 -4 30 122.79 8.30 1 3 30 99.09 8.30 -4 1 30 113.09 8.40 5 -2 -30 243.38 14.00 -2 -3 -30 251.77 14.30 -2 -3 -30 236.48 14.20 5 -2 -30 259.77 14.80 2 3 30 265.57 15.20 3 -5 30 233.78 14.60 2 3 30 255.67 11.90 -3 -3 -30 806.12 36.10 6 -3 -30 794.62 36.50 -3 -3 -30 787.82 35.90 6 -3 -30 778.72 35.90 -3 6 -30 774.32 32.00 3 -6 30 748.43 31.80 -6 3 30 769.52 36.40 3 3 30 750.12 36.40 3 3 30 701.43 34.60 7 -4 -30 221.08 14.10 -3 7 -30 231.58 10.70 -4 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93.79 6.70 0 6 -32 82.89 8.30 6 -6 -32 91.99 8.60 -6 0 -32 84.89 6.70 6 -6 -32 93.49 9.20 6 -6 -32 82.89 6.70 6 0 32 74.69 7.10 -6 6 32 82.79 8.20 0 -6 32 86.19 6.60 5 -6 -32 132.09 9.50 1 5 -32 131.69 10.40 5 -6 -32 130.19 10.80 1 5 -32 117.19 8.40 -6 1 -32 134.09 8.20 5 -6 -32 129.09 10.10 6 -1 32 140.49 8.90 -5 6 32 141.09 10.70 -1 -5 32 125.69 8.70 -6 2 -32 63.69 4.40 -6 2 -32 59.89 4.50 4 -6 -32 63.39 4.60 4 -6 -32 64.09 7.10 2 4 -32 54.89 5.20 2 4 -32 50.79 6.10 6 -2 32 49.10 4.50 -4 6 32 50.39 6.20 -2 -4 32 40.60 4.80 3 3 -32 13.90 3.50 3 -6 -32 12.70 3.60 -6 3 -32 11.80 1.60 -6 3 -32 9.30 1.60 3 3 -32 13.80 3.10 3 -6 -32 14.90 2.30 3 -6 -32 7.70 3.10 6 -3 32 9.60 1.90 -3 -3 32 8.00 2.80 -3 -3 32 16.40 3.50 4 2 -32 6.50 2.30 2 -6 -32 1.30 2.10 2 -6 -32 5.60 2.50 4 2 -32 3.60 1.90 2 -6 -32 5.20 1.40 -4 -2 32 2.40 2.00 -4 -2 32 5.00 2.40 5 1 -32 55.09 6.20 5 1 -32 43.20 5.40 1 -6 -32 50.19 6.20 1 -6 -32 49.10 3.90 -5 -1 32 64.49 6.70 -5 -1 32 62.89 6.40 0 -6 -32 94.59 5.90 0 -6 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4 -32 25.80 4.40 4 -7 -32 31.20 6.20 7 -3 32 24.00 2.80 -3 -4 32 19.30 4.60 -3 -4 32 23.70 5.30 -7 4 -32 20.60 2.10 3 -7 -32 18.60 4.20 -7 4 -32 20.50 1.60 3 -7 -32 19.90 4.60 4 3 -32 19.80 3.90 4 3 -32 19.40 4.30 3 -7 -32 18.10 3.30 -4 -3 32 16.10 3.90 5 2 -32 184.68 12.60 5 2 -32 180.78 12.90 2 -7 -32 176.78 13.20 2 -7 -32 201.18 13.30 -5 -2 32 170.88 12.10 1 -7 -32 372.36 18.40 6 1 -32 382.46 22.10 1 -7 -32 375.16 21.30 6 1 -32 396.56 21.20 1 -7 -32 372.66 21.90 -6 -1 32 399.86 21.40 -1 7 32 375.86 22.50 0 -7 -32 113.09 7.60 7 0 -32 117.39 10.00 0 -7 -32 104.99 9.50 0 -7 -32 113.69 10.10 7 0 -32 117.59 10.20 0 7 32 102.29 10.40 -7 0 32 87.39 13.60 -7 0 32 119.79 10.00 -1 -7 -32 45.00 4.80 8 -1 -32 38.40 6.70 -1 -7 -32 43.70 6.00 7 -8 32 38.10 7.10 -8 1 32 40.90 6.00 9 -2 -32 25.20 5.20 -2 -7 -32 34.20 4.40 -2 -7 -32 36.00 6.30 7 -9 32 40.00 7.60 -9 2 32 38.70 7.80 -3 -7 -32 131.99 11.40 10 -3 -32 129.09 11.60 -3 -7 -32 115.59 9.30 -10 3 32 119.39 10.80 7 -10 32 135.19 12.50 -4 -7 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-59 12.00 4.10 1 2 -59 4.40 2.80 -1 -2 59 4.60 3.20 -3 2 -59 3.80 2.10 2 1 -59 1.20 3.10 -3 2 -59 1.90 2.00 2 1 -59 3.10 2.80 1 -3 -59 5.70 3.60 -2 -1 59 0.60 2.60 -3 3 -59 2.10 1.60 3 0 -59 -0.70 3.00 -3 0 59 0.10 2.80 4 -1 -59 40.60 7.60 -4 1 59 24.20 5.70 -2 -3 -59 48.10 8.90 -3 -3 -59 0.90 2.70 -4 -2 -59 28.60 5.20 -4 -1 -59 38.20 5.40 -4 -1 -59 45.40 7.60 0 4 -59 7.20 3.30 -4 0 -59 9.30 3.10 -4 0 -59 9.10 3.00 1 3 -59 30.50 5.60 -4 1 -59 19.90 3.80 3 -4 -59 32.70 7.80 -1 -3 59 28.20 5.20 2 2 -59 82.99 8.70 -4 2 -59 79.59 6.20 2 -4 -59 75.49 9.70 2 2 -59 73.79 7.70 -2 -2 59 71.89 8.20 3 1 -59 61.79 8.00 1 -4 -59 48.80 7.30 -3 -1 59 45.50 7.80 4 0 -59 3.80 3.30 0 -4 -59 3.70 3.20 -4 0 59 7.80 4.00 -1 -4 -59 13.90 4.80 -2 -4 -59 51.19 7.20 6 -2 -59 41.20 4.80 -5 0 -59 4.90 2.50 0 -5 59 7.00 3.70 1 4 -59 20.40 4.50 -5 1 -59 15.60 3.50 -1 -4 59 22.70 5.30 2 3 -59 51.69 6.60 -2 -3 59 55.29 7.30 -3 -2 59 51.89 7.50 -4 -1 59 42.30 7.20 5 0 -59 5.00 2.50 -2 -4 59 46.40 7.40 -3 -3 59 6.90 4.20 4 2 -59 29.10 6.00 -4 -2 59 28.70 7.30 0 0 -60 207.28 14.40 0 0 -60 209.18 15.20 0 1 -60 74.79 9.50 1 -1 -60 76.99 8.80 0 1 -60 89.09 8.80 -1 0 -60 84.39 8.20 -1 1 -60 91.39 8.40 0 -1 -60 78.99 8.50 0 -1 -60 67.99 8.70 1 0 -60 84.79 9.20 -1 1 -60 81.69 7.50 1 0 -60 87.79 8.80 -1 0 60 98.89 8.60 -1 2 -60 4.30 2.30 2 -1 -60 -0.80 2.50 -1 -1 -60 0.20 2.70 -1 -1 -60 4.90 2.70 -2 1 60 5.60 3.10 -1 3 -60 28.40 5.20 -2 -1 -60 40.60 6.70 3 -2 -60 33.40 7.00 -1 3 -60 33.30 5.50 -2 -1 -60 25.00 5.00 -3 2 60 28.90 6.30 -2 0 -60 21.80 5.20 -2 0 -60 24.20 4.90 2 -2 -60 26.40 6.10 0 2 -60 9.50 4.00 0 2 -60 16.50 4.10 0 -2 60 21.40 4.80 -2 1 -60 -2.20 2.00 1 1 -60 2.10 2.40 -2 1 -60 4.20 2.40 1 -2 -60 -2.00 2.70 1 1 -60 1.70 2.50 -1 -1 60 5.00 2.70 -2 2 -60 17.70 3.80 0 -2 -60 24.30 5.90 -2 2 -60 22.10 4.30 2 0 -60 18.40 5.40 -2 0 60 20.30 5.10 -2 3 -60 34.60 4.80 3 -1 -60 47.60 7.90 -1 -2 -60 32.60 6.60 -3 1 60 36.30 7.10 4 -2 -60 2.60 3.20 -2 -2 -60 -0.70 2.20 -4 2 60 3.60 3.50 -3 -2 -60 85.79 8.60 -1 4 -60 4.10 2.50 -3 -1 -60 4.90 2.90 -3 -1 -60 3.50 3.10 3 -3 -60 51.09 8.90 -3 0 -60 58.39 6.50 -3 0 -60 48.20 6.40 0 3 -60 47.10 6.50 0 3 -60 52.29 5.80 -3 3 60 55.49 7.90 0 -3 60 46.80 6.10 -3 1 -60 39.90 4.90 -3 1 -60 33.60 5.00 1 2 -60 39.00 6.20 2 -3 -60 28.10 6.10 1 2 -60 39.00 7.00 -1 -2 60 40.40 6.80 2 1 -60 32.70 7.00 -3 2 -60 29.30 4.10 1 -3 -60 30.10 6.10 -2 -1 60 28.40 6.40 -3 3 -60 51.79 6.60 0 -3 -60 50.49 7.20 -3 0 60 45.00 8.70 4 -1 -60 4.50 4.00 -1 -3 -60 14.80 4.70 -4 1 60 19.70 5.00 -2 -3 -60 38.70 7.20 -4 -1 -60 2.80 2.50 0 4 -60 14.90 4.10 -4 0 -60 13.90 3.50 1 3 -60 11.30 3.40 1 3 -60 11.10 4.40 -4 1 -60 12.90 3.20 -1 -3 60 14.30 4.40 2 2 -60 5.50 3.00 -4 2 -60 1.70 2.70 2 -4 -60 -3.30 2.50 2 2 -60 1.10 2.70 -2 -2 60 9.70 3.80 3 1 -60 1.40 3.60 1 -4 -60 1.10 3.00 -3 -1 60 6.50 3.80 0 -4 -60 12.50 4.70 4 0 -60 12.20 4.30 -4 0 60 14.70 4.80 -1 -4 -60 -1.10 2.90 1 4 -60 3.30 3.10 -1 -4 60 3.60 3.10 2 3 -60 37.60 7.10 2 3 -60 49.00 8.30 -2 -3 60 37.10 6.60 -3 -2 60 73.79 8.80 -4 -1 60 2.90 3.30 0 0 -61 8.70 3.70 0 0 -61 1.70 2.80 0 1 -61 69.59 7.70 0 1 -61 66.59 8.10 -1 0 -61 72.19 7.90 -1 0 -61 71.39 8.10 1 -1 -61 77.89 9.30 0 -1 -61 71.69 8.00 1 0 -61 66.99 7.80 -1 1 -61 67.79 7.90 0 -1 -61 74.29 9.40 -1 1 -61 60.29 7.30 1 0 -61 71.49 8.30 -1 -1 -61 42.10 6.00 2 -1 -61 60.29 10.20 -1 2 -61 53.69 6.00 -1 2 -61 47.90 6.40 -1 -1 -61 51.89 6.90 -2 1 61 58.59 7.70 -2 -1 -61 5.00 2.90 3 -2 -61 6.40 4.30 -1 3 -61 11.70 3.50 -2 -1 -61 5.20 3.60 -3 2 61 6.80 4.00 0 2 -61 43.90 6.70 -2 0 -61 37.40 7.30 -2 0 -61 37.80 6.40 2 -2 -61 43.20 8.10 0 2 -61 48.00 5.90 1 1 -61 50.89 7.10 1 1 -61 64.79 6.90 -2 1 -61 49.20 6.40 -2 1 -61 56.79 6.40 -1 -1 61 53.19 6.70 2 0 -61 41.90 7.30 0 -2 -61 38.00 6.60 -2 2 -61 45.60 5.60 -2 0 61 45.30 7.70 -1 -2 -61 6.70 3.70 -2 3 -61 2.70 2.20 3 -1 -61 4.80 3.50 -3 1 61 -4.10 2.50 -2 -2 -61 30.10 5.60 -4 2 61 30.00 6.60 -3 -1 -61 46.80 6.00 -3 -1 -61 30.40 6.60 3 -3 -61 3.90 3.40 -3 0 -61 5.00 3.00 0 3 -61 5.60 3.30 -3 3 61 6.30 4.00 0 -3 61 5.70 2.90 1 2 -61 4.10 3.00 2 -3 -61 4.00 3.50 1 2 -61 2.80 2.70 -1 -2 61 3.00 3.20 -3 2 -61 4.60 2.30 1 -3 -61 11.70 3.80 2 1 -61 3.60 3.30 -2 -1 61 9.50 4.00 0 -3 -61 11.80 3.90 3 0 -61 6.20 3.00 -3 0 61 -2.70 3.80 4 -1 -61 31.10 6.80 -1 -3 -61 23.40 5.70 -4 1 61 22.10 5.90 -4 0 -61 5.70 2.80 0 4 -61 4.00 3.00 0 -4 61 3.20 3.40 1 3 -61 26.30 5.30 -4 1 -61 25.40 4.40 -1 -3 61 19.40 5.60 2 2 -61 26.20 5.90 -2 -2 61 38.70 6.70 1 -4 -61 36.30 8.40 3 1 -61 43.70 7.70 4 0 -61 4.30 3.80 0 -4 -61 1.70 3.30 -4 0 61 7.30 3.80 0 0 -62 -0.50 2.60 0 0 -62 -0.20 2.60 1 -1 -62 4.70 3.60 0 1 -62 6.30 3.40 -1 0 -62 7.50 3.60 -1 0 -62 13.60 3.90 0 1 -62 2.70 3.00 1 0 -62 8.50 4.20 -1 1 -62 11.30 3.50 0 -1 -62 11.00 3.90 -1 1 -62 13.80 3.90 2 -1 -62 49.80 9.40 -1 2 -62 50.59 6.20 -1 -1 -62 49.10 6.90 -1 -1 -62 52.19 7.00 -2 -1 -62 52.39 6.60 3 -2 -62 59.89 8.30 -1 3 -62 53.89 6.50 -2 -1 -62 60.79 7.60 -3 2 62 52.69 7.70 0 2 -62 23.50 6.70 0 2 -62 23.70 5.40 2 -2 -62 21.10 6.10 -2 0 -62 29.10 5.30 1 1 -62 42.40 6.10 -2 1 -62 41.80 5.90 1 1 -62 46.30 6.80 1 -2 -62 51.39 7.50 -1 -1 62 42.80 7.00 0 -2 -62 26.20 6.70 2 0 -62 24.10 7.00 -2 2 -62 21.70 4.70 -2 0 62 33.70 6.60 -1 -2 -62 50.49 7.70 3 -1 -62 54.39 8.20 -3 1 62 55.49 7.60 -2 -2 -62 46.30 6.40 -3 -1 -62 16.90 4.20 0 3 -62 6.20 3.70 -3 0 -62 1.70 2.60 0 -3 62 2.20 3.10 1 2 -62 41.60 6.80 2 -3 -62 47.60 8.50 1 2 -62 53.79 7.10 -1 -2 62 51.49 6.80 2 1 -62 54.89 7.50 1 -3 -62 64.19 8.60 -2 -1 62 58.39 8.00 3 0 -62 5.90 3.90 0 -3 -62 -0.10 2.90 -3 0 62 4.70 3.70 -1 -3 -62 23.00 5.30 1 3 -62 13.80 5.30 2 2 -62 45.30 8.00 -2 -2 62 56.19 7.80 3 1 -62 14.70 5.00 0 0 -63 2.20 2.60 0 0 -63 -1.60 2.40 -1 0 -63 5.80 3.00 -1 0 -63 2.30 2.60 0 1 -63 2.30 2.70 0 1 -63 1.50 2.50 1 -1 -63 2.00 2.70 1 0 -63 0.90 3.00 -1 1 -63 -2.10 2.20 0 -1 -63 -1.80 2.60 -1 2 -63 0.40 2.40 2 -1 -63 -2.00 2.30 -1 -1 -63 -0.30 2.70 -2 1 63 -3.40 3.00 -2 -1 -63 26.10 5.10 3 -2 -63 31.80 6.90 -3 2 63 30.40 6.70 -2 0 -63 54.69 6.60 2 -2 -63 48.50 8.20 0 2 -63 43.20 7.90 1 -2 -63 0.00 2.80 -2 1 -63 7.70 3.20 1 1 -63 -2.00 2.60 1 1 -63 1.90 2.90 -1 -1 63 5.60 3.40 0 -2 -63 32.70 7.70 -2 0 63 51.59 7.00 -1 -2 -63 48.10 8.60 3 -1 -63 33.30 7.10 -3 1 63 44.70 8.10 1 2 -63 44.10 7.50 2 -3 -63 48.00 9.70 -1 -2 63 41.00 7.10 1 -3 -63 23.70 5.80 -2 -1 63 30.30 6.20 0 0 -64 1.90 2.90 0 0 -64 0.80 2.70 0 1 -64 3.40 3.40 -1 0 -64 7.60 3.60 1 0 -64 12.80 4.30 0 -1 -64 9.90 3.80 -1 1 -64 9.20 3.50 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 59685 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' 'x-y, x, z+1/6' '-y, x-y, z+1/3' '-x, -y, z+1/2' '-x+y, -x, z+2/3' 'y, -x+y, z+5/6' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Dy1 Dy -1.12225(2) -0.22521(2) 0.59440(2) 0.03762(5) Uani 1 1 d . . . . . O1 O -1.0335(2) -0.3422(3) 0.57988(5) 0.0458(6) Uani 1 1 d . . . . . O2 O -1.2566(3) -0.4307(3) 0.60601(6) 0.0533(7) Uani 1 1 d . . . . . O3 O -0.9666(3) -0.0944(3) 0.56570(5) 0.0473(6) Uani 1 1 d . . . . . O4 O -1.0719(3) -0.0201(3) 0.60289(6) 0.0573(8) Uani 1 1 d . . . . . O5 O -1.2272(3) -0.2996(3) 0.55564(5) 0.0457(6) Uani 1 1 d . . . . . O6 O -1.3061(3) -0.2188(3) 0.59723(6) 0.0561(7) Uani 1 1 d . . . . . N1 N -1.1590(3) -0.2265(3) 0.64340(7) 0.0491(8) Uani 1 1 d . . . . . N2 N -0.9302(3) -0.1387(3) 0.62433(6) 0.0432(8) Uani 1 1 d . . . . . C1 C -1.0105(5) -0.4821(4) 0.55269(8) 0.0521(11) Uani 1 1 d . . . . . C2 C -0.8855(5) -0.4016(6) 0.55066(11) 0.0778(16) Uani 1 1 d . . . . . H2 H -0.848043 -0.331074 0.561172 0.093 Uiso 1 1 calc R U . . . C3 C -0.8128(6) -0.4235(7) 0.53299(13) 0.106(2) Uani 1 1 d . . . . . H3 H -0.728008 -0.366682 0.531485 0.127 Uiso 1 1 calc R U . . . C4 C -0.8666(8) -0.5285(8) 0.51792(13) 0.106(2) Uani 1 1 d . . . . . H4 H -0.817470 -0.545356 0.506854 0.128 Uiso 1 1 calc R U . . . C5 C -0.9915(8) -0.6082(6) 0.51911(13) 0.103(2) Uani 1 1 d . . . . . H5 H -1.028820 -0.677868 0.508365 0.124 Uiso 1 1 calc R U . . . C6 C -1.0628(6) -0.5849(5) 0.53640(11) 0.0848(17) Uani 1 1 d . . . . . H6 H -1.148317 -0.639846 0.537127 0.102 Uiso 1 1 calc R U . . . C7 C -1.0851(4) -0.4529(4) 0.57160(8) 0.0452(9) Uani 1 1 d . . . . . C8 C -1.2035(4) -0.5481(4) 0.57859(9) 0.0543(11) Uani 1 1 d . . . . . H8 H -1.232043 -0.626516 0.571297 0.065 Uiso 1 1 calc R U . . . C9 C -1.2829(4) -0.5332(4) 0.59605(9) 0.0507(10) Uani 1 1 d D . . . . C10 C -1.4090(5) -0.6457(5) 0.60373(11) 0.0718(14) Uani 1 1 d D U . . . C11 C -1.5076(7) -0.6105(8) 0.5980(3) 0.136(4) Uani 0.818(12) 1 d D U P A 1 H11A H -1.509518 -0.597263 0.579667 0.204 Uiso 0.818(12) 1 calc R U P A 1 H11B H -1.587635 -0.676621 0.603506 0.204 Uiso 0.818(12) 1 calc R U P A 1 H11C H -1.488003 -0.535356 0.607150 0.204 Uiso 0.818(12) 1 calc R U P A 1 C12 C -1.4445(9) -0.7654(7) 0.5878(2) 0.108(3) Uani 0.818(12) 1 d D U P A 1 H12A H -1.435133 -0.745701 0.569606 0.163 Uiso 0.818(12) 1 calc R U P A 1 H12B H -1.529517 -0.827129 0.591351 0.163 Uiso 0.818(12) 1 calc R U P A 1 H12C H -1.390699 -0.797209 0.592562 0.163 Uiso 0.818(12) 1 calc R U P A 1 C13 C -1.4048(11) -0.6667(12) 0.63220(17) 0.147(6) Uani 0.818(12) 1 d D U P A 1 H13A H -1.345539 -0.693516 0.635511 0.220 Uiso 0.818(12) 1 calc R U P A 1 H13B H -1.485886 -0.729672 0.638002 0.220 Uiso 0.818(12) 1 calc R U P A 1 H13C H -1.380357 -0.590374 0.641378 0.220 Uiso 0.818(12) 1 calc R U P A 1 C11A C -1.483(3) -0.702(4) 0.5816(6) 0.114(12) Uani 0.182(12) 1 d D U P A 2 H11D H -1.507197 -0.646385 0.573943 0.171 Uiso 0.182(12) 1 calc R U P A 2 H11E H -1.556612 -0.778243 0.586491 0.171 Uiso 0.182(12) 1 calc R U P A 2 H11F H -1.436439 -0.720026 0.569153 0.171 Uiso 0.182(12) 1 calc R U P A 2 C12A C -1.372(3) -0.740(3) 0.6171(10) 0.114(12) Uani 0.182(12) 1 d D U P A 2 H12D H -1.349288 -0.780323 0.603959 0.170 Uiso 0.182(12) 1 calc R U P A 2 H12E H -1.441910 -0.802557 0.626792 0.170 Uiso 0.182(12) 1 calc R U P A 2 H12F H -1.302696 -0.694977 0.628658 0.170 Uiso 0.182(12) 1 calc R U P A 2 C13A C -1.471(4) -0.609(4) 0.6247(9) 0.122(14) Uani 0.182(12) 1 d D U P A 2 H13D H -1.409175 -0.554981 0.637011 0.183 Uiso 0.182(12) 1 calc R U P A 2 H13E H -1.533429 -0.682079 0.633311 0.183 Uiso 0.182(12) 1 calc R U P A 2 H13F H -1.508861 -0.565395 0.616858 0.183 Uiso 0.182(12) 1 calc R U P A 2 C14 C -0.7796(4) 0.0570(6) 0.54632(10) 0.0628(13) Uani 1 1 d . . . . . C15 C -0.7052(5) 0.1796(6) 0.53727(11) 0.0872(18) Uani 1 1 d . . . . . H15 H -0.723289 0.240784 0.542500 0.105 Uiso 1 1 calc R U . . . C16 C -0.6075(7) 0.2107(9) 0.52104(14) 0.120(3) Uani 1 1 d . . . . . H16 H -0.559766 0.292198 0.515070 0.144 Uiso 1 1 calc R U . . . C17 C -0.5798(7) 0.1212(12) 0.51354(15) 0.130(4) Uani 1 1 d . . . . . H17 H -0.512003 0.142597 0.502676 0.156 Uiso 1 1 calc R U . . . C18 C -0.6502(7) 0.0015(9) 0.52181(13) 0.114(3) Uani 1 1 d . . . . . H18 H -0.630365 -0.058479 0.516597 0.136 Uiso 1 1 calc R U . . . C19 C -0.7527(6) -0.0320(7) 0.53818(11) 0.0826(17) Uani 1 1 d . . . . . H19 H -0.802157 -0.114352 0.543464 0.099 Uiso 1 1 calc R U . . . C20 C -0.8864(4) 0.0217(4) 0.56472(8) 0.0496(10) Uani 1 1 d . . . . . C21 C -0.8907(5) 0.1122(4) 0.57972(10) 0.0618(12) Uani 1 1 d . . . . . H21 H -0.827409 0.194407 0.577576 0.074 Uiso 1 1 calc R U . . . C22 C -0.9848(4) 0.0878(4) 0.59803(9) 0.0559(11) Uani 1 1 d D . . . . C23 C -0.9889(6) 0.1950(5) 0.61170(11) 0.0774(15) Uani 1 1 d D U . . . C24 C -0.8773(19) 0.3178(15) 0.6075(5) 0.121(6) Uani 0.53(2) 1 d D U P B 1 H24A H -0.886455 0.380403 0.616632 0.182 Uiso 0.53(2) 1 calc R U P B 1 H24B H -0.805057 0.316534 0.613850 0.182 Uiso 0.53(2) 1 calc R U P B 1 H24C H -0.867656 0.336686 0.589277 0.182 Uiso 0.53(2) 1 calc R U P B 1 C25 C -1.1112(19) 0.191(2) 0.6005(4) 0.115(5) Uani 0.53(2) 1 d D U P B 1 H25A H -1.127623 0.247501 0.610197 0.173 Uiso 0.53(2) 1 calc R U P B 1 H25B H -1.180944 0.107822 0.602109 0.173 Uiso 0.53(2) 1 calc R U P B 1 H25C H -1.098685 0.214986 0.582579 0.173 Uiso 0.53(2) 1 calc R U P B 1 C26 C -1.062(3) 0.151(3) 0.6378(5) 0.113(7) Uani 0.53(2) 1 d D U P B 1 H26A H -1.040267 0.096536 0.646646 0.170 Uiso 0.53(2) 1 calc R U P B 1 H26B H -1.149955 0.108133 0.634391 0.170 Uiso 0.53(2) 1 calc R U P B 1 H26C H -1.040615 0.222749 0.648565 0.170 Uiso 0.53(2) 1 calc R U P B 1 C24A C -1.045(3) 0.247(2) 0.5936(4) 0.115(5) Uani 0.47(2) 1 d D U P B 2 H24D H -1.055168 0.309840 0.602403 0.172 Uiso 0.47(2) 1 calc R U P B 2 H24E H -1.125180 0.181396 0.587919 0.172 Uiso 0.47(2) 1 calc R U P B 2 H24F H -0.991557 0.283232 0.578863 0.172 Uiso 0.47(2) 1 calc R U P B 2 C25A C -1.018(3) 0.157(3) 0.6403(4) 0.102(7) Uani 0.47(2) 1 d D U P B 2 H25D H -0.946164 0.160550 0.648363 0.152 Uiso 0.47(2) 1 calc R U P B 2 H25E H -1.087252 0.073558 0.641406 0.152 Uiso 0.47(2) 1 calc R U P B 2 H25F H -1.038008 0.213134 0.649024 0.152 Uiso 0.47(2) 1 calc R U P B 2 C26A C -0.8528(18) 0.301(2) 0.6203(5) 0.109(6) Uani 0.47(2) 1 d D U P B 2 H26D H -0.805660 0.344215 0.605178 0.164 Uiso 0.47(2) 1 calc R U P B 2 H26E H -0.811489 0.262818 0.629036 0.164 Uiso 0.47(2) 1 calc R U P B 2 H26F H -0.859228 0.358113 0.631760 0.164 Uiso 0.47(2) 1 calc R U P B 2 C27 C -1.3657(4) -0.3900(4) 0.52077(7) 0.0446(9) Uani 1 1 d . . . . . C28 C -1.3127(4) -0.4608(4) 0.51371(8) 0.0513(10) Uani 1 1 d . . . . . H28 H -1.260143 -0.470035 0.525278 0.062 Uiso 1 1 calc R U . . . C29 C -1.3366(5) -0.5182(5) 0.48971(8) 0.0599(12) Uani 1 1 d . . . . . H29 H -1.301795 -0.567217 0.485320 0.072 Uiso 1 1 calc R U . . . C30 C -1.4124(5) -0.5024(5) 0.47228(9) 0.0637(13) Uani 1 1 d . . . . . H30 H -1.428029 -0.539993 0.456020 0.076 Uiso 1 1 calc R U . . . C31 C -1.4644(5) -0.4317(5) 0.47889(9) 0.0682(14) Uani 1 1 d . . . . . H31 H -1.514774 -0.420636 0.467064 0.082 Uiso 1 1 calc R U . . . C32 C -1.4426(4) -0.3766(5) 0.50306(8) 0.0573(11) Uani 1 1 d . . . . . H32 H -1.479857 -0.330016 0.507516 0.069 Uiso 1 1 calc R U . . . C33 C -1.3335(4) -0.3270(4) 0.54665(8) 0.0451(9) Uani 1 1 d . . . . . C34 C -1.4188(4) -0.3027(5) 0.55904(8) 0.0604(12) Uani 1 1 d . . . . . H34 H -1.493612 -0.325458 0.550614 0.073 Uiso 1 1 calc R U . . . C35 C -1.3987(4) -0.2458(5) 0.58356(9) 0.0555(11) Uani 1 1 d . . . . . C36 C -1.4960(5) -0.2136(6) 0.59409(11) 0.0771(15) Uani 1 1 d . . . . . C37 C -1.5200(8) -0.1361(8) 0.57474(15) 0.128(3) Uani 1 1 d . . . . . H37A H -1.595456 -0.136696 0.579286 0.191 Uiso 1 1 calc R U . . . H37B H -1.528194 -0.170553 0.557667 0.191 Uiso 1 1 calc R U . . . H37C H -1.451455 -0.051936 0.574969 0.191 Uiso 1 1 calc R U . . . C38 C -1.6181(6) -0.3346(9) 0.59831(19) 0.152(4) Uani 1 1 d . . . . . H38A H -1.681725 -0.316112 0.603397 0.228 Uiso 1 1 calc R U . . . H38B H -1.607334 -0.382293 0.611725 0.228 Uiso 1 1 calc R U . . . H38C H -1.642376 -0.381926 0.582486 0.228 Uiso 1 1 calc R U . . . C39 C -1.4542(7) -0.1481(9) 0.61972(14) 0.136(4) Uani 1 1 d . . . . . H39A H -1.379652 -0.069040 0.617310 0.204 Uiso 1 1 calc R U . . . H39B H -1.437618 -0.198241 0.631477 0.204 Uiso 1 1 calc R U . . . H39C H -1.518562 -0.135066 0.626785 0.204 Uiso 1 1 calc R U . . . C40 C -1.2752(5) -0.2812(5) 0.65276(9) 0.0639(13) Uani 1 1 d . . . . . H40 H -1.340684 -0.328768 0.641458 0.077 Uiso 1 1 calc R U . . . C41 C -1.3035(5) -0.2713(6) 0.67818(10) 0.0776(15) Uani 1 1 d . . . . . H41 H -1.385536 -0.312908 0.684054 0.093 Uiso 1 1 calc R U . . . C42 C -1.2060(5) -0.1973(6) 0.69471(10) 0.0777(16) Uani 1 1 d . . . . . H42 H -1.221757 -0.185766 0.711846 0.093 Uiso 1 1 calc R U . . . C43 C -1.0861(5) -0.1412(5) 0.68556(9) 0.0656(13) Uani 1 1 d . . . . . H43 H -1.019738 -0.092498 0.696569 0.079 Uiso 1 1 calc R U . . . C44 C -1.0640(4) -0.1574(4) 0.65981(7) 0.0456(9) Uani 1 1 d . . . . . C45 C -0.9376(4) -0.1080(4) 0.64912(8) 0.0459(9) Uani 1 1 d . . . . . C46 C -0.8304(5) -0.0376(5) 0.66410(10) 0.0628(13) Uani 1 1 d . . . . . H46 H -0.836962 -0.017521 0.681208 0.075 Uiso 1 1 calc R U . . . C47 C -0.7161(5) 0.0011(5) 0.65330(11) 0.0723(15) Uani 1 1 d . . . . . H47 H -0.643928 0.049463 0.662866 0.087 Uiso 1 1 calc R U . . . C48 C -0.7084(4) -0.0318(4) 0.62831(11) 0.0639(13) Uani 1 1 d . . . . . H48 H -0.631396 -0.008120 0.620811 0.077 Uiso 1 1 calc R U . . . C49 C -0.8165(4) -0.1004(4) 0.61455(9) 0.0531(10) Uani 1 1 d . . . . . H49 H -0.810513 -0.121487 0.597491 0.064 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Dy1 0.03591(9) 0.04083(10) 0.03472(8) -0.00403(8) -0.00146(8) 0.01812(8) O1 0.0411(15) 0.0430(16) 0.0506(15) -0.0057(13) -0.0026(12) 0.0189(13) O2 0.0469(16) 0.0439(17) 0.0571(16) 0.0015(13) 0.0071(13) 0.0136(14) O3 0.0487(16) 0.0451(16) 0.0408(14) 0.0017(12) 0.0015(12) 0.0180(14) O4 0.0614(19) 0.0475(18) 0.066(2) -0.0042(14) 0.0046(15) 0.0293(16) O5 0.0419(16) 0.0583(17) 0.0380(13) -0.0123(12) -0.0065(12) 0.0258(14) O6 0.0488(16) 0.084(2) 0.0469(16) -0.0187(16) -0.0090(14) 0.0417(16) N1 0.047(2) 0.059(2) 0.0386(18) -0.0016(16) 0.0003(16) 0.0241(18) N2 0.0444(19) 0.0433(19) 0.0447(19) -0.0028(14) -0.0052(15) 0.0240(16) C1 0.067(3) 0.055(3) 0.043(2) -0.0034(19) -0.004(2) 0.037(2) C2 0.063(3) 0.087(4) 0.081(4) -0.033(3) -0.003(3) 0.035(3) C3 0.079(4) 0.139(6) 0.103(5) -0.046(5) 0.004(4) 0.058(4) C4 0.123(6) 0.127(6) 0.089(5) -0.027(4) 0.018(4) 0.078(5) C5 0.132(6) 0.089(5) 0.085(4) -0.029(4) 0.016(4) 0.053(5) C6 0.095(4) 0.070(4) 0.074(4) -0.021(3) 0.013(3) 0.029(3) C7 0.054(2) 0.044(2) 0.044(2) -0.0009(18) -0.0056(18) 0.029(2) C8 0.054(3) 0.037(2) 0.063(3) -0.003(2) -0.002(2) 0.016(2) C9 0.050(2) 0.043(2) 0.048(2) 0.004(2) -0.005(2) 0.0144(19) C10 0.057(3) 0.052(3) 0.081(4) 0.007(2) 0.007(2) 0.009(2) C11 0.043(4) 0.103(6) 0.230(13) -0.016(9) 0.000(6) 0.013(4) C12 0.085(6) 0.056(4) 0.133(8) 0.003(5) 0.007(5) -0.003(4) C13 0.120(9) 0.130(10) 0.079(6) 0.036(6) 0.024(5) -0.021(7) C11A 0.035(15) 0.12(3) 0.15(2) -0.02(2) -0.026(15) 0.010(16) C12A 0.056(17) 0.09(2) 0.14(3) 0.074(19) 0.018(17) 0.000(14) C13A 0.07(2) 0.10(2) 0.13(2) 0.00(2) 0.042(19) -0.010(16) C14 0.050(3) 0.072(3) 0.049(3) 0.005(3) -0.006(2) 0.017(3) C15 0.071(4) 0.078(4) 0.067(3) 0.015(3) 0.003(3) 0.003(3) C16 0.071(5) 0.143(7) 0.082(5) 0.033(5) 0.014(4) 0.005(5) C17 0.066(4) 0.212(11) 0.077(5) 0.032(6) 0.026(3) 0.044(6) C18 0.094(5) 0.185(9) 0.076(4) 0.017(5) 0.025(4) 0.081(6) C19 0.075(4) 0.114(5) 0.060(3) 0.012(3) 0.017(3) 0.048(4) C20 0.044(2) 0.051(3) 0.044(2) 0.0100(19) -0.0033(18) 0.016(2) C21 0.064(3) 0.037(2) 0.071(3) -0.001(2) 0.000(2) 0.015(2) C22 0.068(3) 0.047(3) 0.057(3) -0.008(2) -0.010(2) 0.032(2) C23 0.097(4) 0.056(3) 0.089(4) -0.011(3) -0.005(3) 0.046(3) C24 0.136(10) 0.056(7) 0.156(14) -0.038(9) 0.013(10) 0.036(7) C25 0.127(10) 0.101(11) 0.157(12) -0.027(10) -0.002(10) 0.086(9) C26 0.132(16) 0.101(10) 0.115(10) -0.028(9) 0.024(9) 0.064(12) C24A 0.157(13) 0.098(11) 0.133(11) -0.017(9) -0.027(11) 0.096(10) C25A 0.142(17) 0.082(10) 0.091(8) -0.028(7) 0.009(10) 0.063(12) C26A 0.113(10) 0.084(11) 0.102(13) -0.043(9) -0.009(8) 0.028(8) C27 0.038(2) 0.048(2) 0.0398(19) -0.0045(17) -0.0007(17) 0.0160(18) C28 0.053(2) 0.055(3) 0.042(2) -0.0074(19) -0.0040(18) 0.024(2) C29 0.068(3) 0.062(3) 0.048(2) -0.009(2) 0.006(2) 0.031(2) C30 0.066(3) 0.067(3) 0.041(2) -0.014(2) -0.002(2) 0.020(3) C31 0.068(3) 0.084(4) 0.048(3) -0.008(2) -0.019(2) 0.034(3) C32 0.058(3) 0.070(3) 0.046(2) -0.009(2) -0.010(2) 0.033(2) C33 0.044(2) 0.047(2) 0.042(2) -0.0046(18) -0.0037(18) 0.0206(19) C34 0.044(2) 0.094(4) 0.048(2) -0.021(2) -0.0093(19) 0.038(3) C35 0.045(2) 0.069(3) 0.054(2) -0.015(2) -0.004(2) 0.030(2) C36 0.063(3) 0.130(5) 0.062(3) -0.031(4) -0.014(3) 0.066(3) C37 0.164(8) 0.201(9) 0.103(5) -0.012(5) 0.001(5) 0.155(8) C38 0.076(5) 0.225(9) 0.146(7) -0.034(7) 0.030(5) 0.068(6) C39 0.126(6) 0.251(10) 0.099(5) -0.093(6) -0.040(4) 0.145(7) C40 0.055(3) 0.085(4) 0.049(3) 0.002(2) 0.004(2) 0.032(3) C41 0.068(3) 0.109(5) 0.055(3) 0.004(3) 0.016(3) 0.044(3) C42 0.088(4) 0.110(5) 0.040(3) -0.005(3) 0.011(3) 0.054(4) C43 0.078(4) 0.080(3) 0.042(2) -0.012(2) -0.011(2) 0.042(3) C44 0.057(3) 0.047(2) 0.038(2) -0.0022(17) -0.0066(18) 0.029(2) C45 0.052(2) 0.041(2) 0.045(2) -0.0027(17) -0.0085(18) 0.024(2) C46 0.061(3) 0.060(3) 0.058(3) -0.011(2) -0.019(2) 0.024(2) C47 0.059(3) 0.064(3) 0.078(4) -0.009(3) -0.023(3) 0.018(3) C48 0.043(3) 0.058(3) 0.085(4) 0.011(3) -0.001(2) 0.020(2) C49 0.050(3) 0.055(3) 0.058(3) 0.002(2) 0.002(2) 0.028(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Dy1 N1 116.64(11) . . ? O1 Dy1 N2 80.02(10) . . ? O2 Dy1 O1 72.77(10) . . ? O2 Dy1 O3 145.03(10) . . ? O2 Dy1 O4 143.26(11) . . ? O2 Dy1 O6 80.99(11) . . ? O2 Dy1 N1 73.21(11) . . ? O2 Dy1 N2 108.00(10) . . ? O3 Dy1 O1 75.23(10) . . ? O3 Dy1 O4 71.55(10) . . ? O3 Dy1 N1 135.53(11) . . ? O3 Dy1 N2 79.60(10) . . ? O4 Dy1 O1 141.46(10) . . ? O4 Dy1 N1 76.85(11) . . ? O4 Dy1 N2 75.31(10) . . ? O5 Dy1 O1 79.70(9) . . ? O5 Dy1 O2 80.40(10) . . ? O5 Dy1 O3 80.38(10) . . ? O5 Dy1 O4 112.77(11) . . ? O5 Dy1 O6 72.67(10) . . ? O5 Dy1 N1 141.86(11) . . ? O5 Dy1 N2 154.48(10) . . ? O6 Dy1 O1 144.56(10) . . ? O6 Dy1 O3 120.12(11) . . ? O6 Dy1 O4 71.58(11) . . ? O6 Dy1 N1 76.36(11) . . ? O6 Dy1 N2 131.71(10) . . ? N1 Dy1 N2 62.44(11) . . ? C7 O1 Dy1 129.9(3) . . ? C9 O2 Dy1 133.4(3) . . ? C20 O3 Dy1 135.8(3) . . ? C22 O4 Dy1 137.9(3) . . ? C33 O5 Dy1 136.3(3) . . ? C35 O6 Dy1 138.1(3) . . ? C40 N1 Dy1 120.1(3) . . ? C40 N1 C44 118.1(4) . . ? C44 N1 Dy1 121.1(3) . . ? C45 N2 Dy1 120.3(3) . . ? C49 N2 Dy1 120.7(3) . . ? C49 N2 C45 117.7(4) . . ? C2 C1 C6 117.6(5) . . ? C2 C1 C7 118.9(4) . . ? C6 C1 C7 123.5(5) . . ? C1 C2 H2 119.5 . . ? C1 C2 C3 120.9(5) . . ? C3 C2 H2 119.5 . . ? C2 C3 H3 120.0 . . ? C4 C3 C2 120.0(7) . . ? C4 C3 H3 120.0 . . ? C3 C4 H4 120.0 . . ? C5 C4 C3 120.1(6) . . ? C5 C4 H4 120.0 . . ? C4 C5 H5 120.3 . . ? C4 C5 C6 119.4(6) . . ? C6 C5 H5 120.3 . . ? C1 C6 H6 119.0 . . ? C5 C6 C1 121.9(6) . . ? C5 C6 H6 119.0 . . ? O1 C7 C1 116.2(4) . . ? O1 C7 C8 125.4(4) . . ? C8 C7 C1 118.4(4) . . ? C7 C8 H8 117.9 . . ? C7 C8 C9 124.1(4) . . ? C9 C8 H8 117.9 . . ? O2 C9 C8 123.3(4) . . ? O2 C9 C10 116.4(4) . . ? C8 C9 C10 120.2(4) . . ? C9 C10 C12 113.8(5) . . ? C9 C10 C12A 103.9(11) . . ? C11 C10 C9 106.7(5) . . ? C11 C10 C12 106.7(7) . . ? C13 C10 C9 107.6(5) . . ? C13 C10 C11 110.1(9) . . ? C13 C10 C12 111.8(8) . . ? C11A C10 C9 110.8(17) . . ? C11A C10 C12A 110(2) . . ? C11A C10 C13A 115(2) . . ? C13A C10 C9 110.2(14) . . ? C13A C10 C12A 107(2) . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11B 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12B 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C10 C13 H13A 109.5 . . ? C10 C13 H13B 109.5 . . ? C10 C13 H13C 109.5 . . ? H13A C13 H13B 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C10 C11A H11D 109.5 . . ? C10 C11A H11E 109.5 . . ? C10 C11A H11F 109.5 . . ? H11D C11A H11E 109.5 . . ? H11D C11A H11F 109.5 . . ? H11E C11A H11F 109.5 . . ? C10 C12A H12D 109.5 . . ? C10 C12A H12E 109.5 . . ? C10 C12A H12F 109.5 . . ? H12D C12A H12E 109.5 . . ? H12D C12A H12F 109.5 . . ? H12E C12A H12F 109.5 . . ? C10 C13A H13D 109.5 . . ? C10 C13A H13E 109.5 . . ? C10 C13A H13F 109.5 . . ? H13D C13A H13E 109.5 . . ? H13D C13A H13F 109.5 . . ? H13E C13A H13F 109.5 . . ? C15 C14 C20 121.9(6) . . ? C19 C14 C15 118.5(6) . . ? C19 C14 C20 119.5(5) . . ? C14 C15 H15 119.3 . . ? C16 C15 C14 121.3(8) . . ? C16 C15 H15 119.3 . . ? C15 C16 H16 120.3 . . ? C15 C16 C17 119.5(8) . . ? C17 C16 H16 120.3 . . ? C16 C17 H17 119.6 . . ? C18 C17 C16 120.7(7) . . ? C18 C17 H17 119.6 . . ? C17 C18 H18 119.9 . . ? C17 C18 C19 120.2(8) . . ? C19 C18 H18 119.9 . . ? C14 C19 C18 119.7(7) . . ? C14 C19 H19 120.1 . . ? C18 C19 H19 120.1 . . ? O3 C20 C14 115.3(4) . . ? O3 C20 C21 124.5(4) . . ? C21 C20 C14 120.1(5) . . ? C20 C21 H21 117.9 . . ? C20 C21 C22 124.2(4) . . ? C22 C21 H21 117.9 . . ? O4 C22 C21 122.8(4) . . ? O4 C22 C23 116.7(5) . . ? C21 C22 C23 120.4(4) . . ? C22 C23 C25 104.5(8) . . ? C22 C23 C26 111.3(14) . . ? C22 C23 C25A 106.3(14) . . ? C22 C23 C26A 111.1(10) . . ? C24 C23 C22 114.1(9) . . ? C24 C23 C25 111.4(11) . . ? C24 C23 C26 124.5(17) . . ? C26 C23 C25 85.6(16) . . ? C24A C23 C22 108.3(9) . . ? C24A C23 C25A 130.2(19) . . ? C24A C23 C26A 110.5(12) . . ? C25A C23 C26A 88.5(16) . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24B 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.5 . . ? C23 C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25B 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C23 C26 H26A 109.5 . . ? C23 C26 H26B 109.5 . . ? C23 C26 H26C 109.5 . . ? H26A C26 H26B 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C23 C24A H24D 109.5 . . ? C23 C24A H24E 109.5 . . ? C23 C24A H24F 109.5 . . ? H24D C24A H24E 109.5 . . ? H24D C24A H24F 109.5 . . ? H24E C24A H24F 109.5 . . ? C23 C25A H25D 109.5 . . ? C23 C25A H25E 109.5 . . ? C23 C25A H25F 109.5 . . ? H25D C25A H25E 109.5 . . ? H25D C25A H25F 109.5 . . ? H25E C25A H25F 109.5 . . ? C23 C26A H26D 109.5 . . ? C23 C26A H26E 109.5 . . ? C23 C26A H26F 109.5 . . ? H26D C26A H26E 109.5 . . ? H26D C26A H26F 109.5 . . ? H26E C26A H26F 109.5 . . ? C28 C27 C32 118.4(4) . . ? C28 C27 C33 118.7(4) . . ? C32 C27 C33 122.9(4) . . ? C27 C28 H28 119.5 . . ? C27 C28 C29 121.0(4) . . ? C29 C28 H28 119.5 . . ? C28 C29 H29 120.2 . . ? C28 C29 C30 119.6(5) . . ? C30 C29 H29 120.2 . . ? C29 C30 H30 120.0 . . ? C31 C30 C29 120.0(4) . . ? C31 C30 H30 120.0 . . ? C30 C31 H31 119.8 . . ? C30 C31 C32 120.3(5) . . ? C32 C31 H31 119.8 . . ? C27 C32 H32 119.7 . . ? C31 C32 C27 120.7(5) . . ? C31 C32 H32 119.7 . . ? O5 C33 C27 115.7(4) . . ? O5 C33 C34 124.9(4) . . ? C34 C33 C27 119.4(4) . . ? C33 C34 H34 118.0 . . ? C33 C34 C35 123.9(4) . . ? C35 C34 H34 118.0 . . ? O6 C35 C34 123.5(4) . . ? O6 C35 C36 117.8(4) . . ? C34 C35 C36 118.7(4) . . ? C37 C36 C35 111.0(5) . . ? C37 C36 C38 107.8(6) . . ? C38 C36 C35 108.3(5) . . ? C39 C36 C35 110.3(4) . . ? C39 C36 C37 111.2(6) . . ? C39 C36 C38 108.1(6) . . ? C36 C37 H37A 109.5 . . ? C36 C37 H37B 109.5 . . ? C36 C37 H37C 109.5 . . ? H37A C37 H37B 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C36 C38 H38A 109.5 . . ? C36 C38 H38B 109.5 . . ? C36 C38 H38C 109.5 . . ? H38A C38 H38B 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C36 C39 H39A 109.5 . . ? C36 C39 H39B 109.5 . . ? C36 C39 H39C 109.5 . . ? H39A C39 H39B 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? N1 C40 H40 118.1 . . ? N1 C40 C41 123.7(5) . . ? C41 C40 H40 118.1 . . ? C40 C41 H41 121.1 . . ? C40 C41 C42 117.9(5) . . ? C42 C41 H41 121.1 . . ? C41 C42 H42 120.4 . . ? C43 C42 C41 119.3(5) . . ? C43 C42 H42 120.4 . . ? C42 C43 H43 120.1 . . ? C42 C43 C44 119.8(5) . . ? C44 C43 H43 120.1 . . ? N1 C44 C43 121.1(4) . . ? N1 C44 C45 115.9(4) . . ? C43 C44 C45 122.8(4) . . ? N2 C45 C44 116.4(4) . . ? N2 C45 C46 121.3(4) . . ? C46 C45 C44 122.2(4) . . ? C45 C46 H46 120.4 . . ? C47 C46 C45 119.2(5) . . ? C47 C46 H46 120.4 . . ? C46 C47 H47 120.2 . . ? C46 C47 C48 119.6(5) . . ? C48 C47 H47 120.2 . . ? C47 C48 H48 120.7 . . ? C47 C48 C49 118.7(5) . . ? C49 C48 H48 120.7 . . ? N2 C49 C48 123.6(4) . . ? N2 C49 H49 118.2 . . ? C48 C49 H49 118.2 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Dy1 O1 2.335(3) . ? Dy1 O2 2.316(3) . ? Dy1 O3 2.324(3) . ? Dy1 O4 2.333(3) . ? Dy1 O5 2.307(3) . ? Dy1 O6 2.321(3) . ? Dy1 N1 2.563(3) . ? Dy1 N2 2.575(3) . ? O1 C7 1.262(5) . ? O2 C9 1.251(5) . ? O3 C20 1.276(5) . ? O4 C22 1.252(5) . ? O5 C33 1.272(5) . ? O6 C35 1.241(5) . ? N1 C40 1.336(6) . ? N1 C44 1.350(5) . ? N2 C45 1.348(5) . ? N2 C49 1.339(6) . ? C1 C2 1.362(7) . ? C1 C6 1.385(7) . ? C1 C7 1.505(6) . ? C2 H2 0.9300 . ? C2 C3 1.399(7) . ? C3 H3 0.9300 . ? C3 C4 1.367(9) . ? C4 H4 0.9300 . ? C4 C5 1.358(10) . ? C5 H5 0.9300 . ? C5 C6 1.382(8) . ? C6 H6 0.9300 . ? C7 C8 1.393(6) . ? C8 H8 0.9300 . ? C8 C9 1.411(6) . ? C9 C10 1.536(6) . ? C10 C11 1.516(10) . ? C10 C12 1.552(10) . ? C10 C13 1.495(10) . ? C10 C11A 1.41(2) . ? C10 C12A 1.61(2) . ? C10 C13A 1.52(2) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C11A H11D 0.9600 . ? C11A H11E 0.9600 . ? C11A H11F 0.9600 . ? C12A H12D 0.9600 . ? C12A H12E 0.9600 . ? C12A H12F 0.9600 . ? C13A H13D 0.9600 . ? C13A H13E 0.9600 . ? C13A H13F 0.9600 . ? C14 C15 1.404(8) . ? C14 C19 1.366(9) . ? C14 C20 1.503(7) . ? C15 H15 0.9300 . ? C15 C16 1.358(10) . ? C16 H16 0.9300 . ? C16 C17 1.370(12) . ? C17 H17 0.9300 . ? C17 C18 1.359(13) . ? C18 H18 0.9300 . ? C18 C19 1.403(8) . ? C19 H19 0.9300 . ? C20 C21 1.383(6) . ? C21 H21 0.9300 . ? C21 C22 1.409(7) . ? C22 C23 1.525(6) . ? C23 C24 1.472(17) . ? C23 C25 1.597(17) . ? C23 C26 1.56(2) . ? C23 C24A 1.489(17) . ? C23 C25A 1.53(2) . ? C23 C26A 1.594(18) . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C24A H24D 0.9600 . ? C24A H24E 0.9600 . ? C24A H24F 0.9600 . ? C25A H25D 0.9600 . ? C25A H25E 0.9600 . ? C25A H25F 0.9600 . ? C26A H26D 0.9600 . ? C26A H26E 0.9600 . ? C26A H26F 0.9600 . ? C27 C28 1.381(6) . ? C27 C32 1.387(6) . ? C27 C33 1.494(5) . ? C28 H28 0.9300 . ? C28 C29 1.382(6) . ? C29 H29 0.9300 . ? C29 C30 1.382(7) . ? C30 H30 0.9300 . ? C30 C31 1.363(7) . ? C31 H31 0.9300 . ? C31 C32 1.379(6) . ? C32 H32 0.9300 . ? C33 C34 1.388(6) . ? C34 H34 0.9300 . ? C34 C35 1.406(6) . ? C35 C36 1.544(6) . ? C36 C37 1.512(9) . ? C36 C38 1.521(10) . ? C36 C39 1.499(8) . ? C37 H37A 0.9600 . ? C37 H37B 0.9600 . ? C37 H37C 0.9600 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 H40 0.9300 . ? C40 C41 1.377(6) . ? C41 H41 0.9300 . ? C41 C42 1.384(8) . ? C42 H42 0.9300 . ? C42 C43 1.370(7) . ? C43 H43 0.9300 . ? C43 C44 1.389(6) . ? C44 C45 1.473(6) . ? C45 C46 1.400(6) . ? C46 H46 0.9300 . ? C46 C47 1.365(7) . ? C47 H47 0.9300 . ? C47 C48 1.367(8) . ? C48 H48 0.9300 . ? C48 C49 1.370(6) . ? C49 H49 0.9300 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Dy1 O1 C7 C1 152.1(3) . . . . ? Dy1 O1 C7 C8 -28.1(6) . . . . ? Dy1 O2 C9 C8 21.9(7) . . . . ? Dy1 O2 C9 C10 -158.0(3) . . . . ? Dy1 O3 C20 C14 162.0(3) . . . . ? Dy1 O3 C20 C21 -15.9(6) . . . . ? Dy1 O4 C22 C21 12.2(7) . . . . ? Dy1 O4 C22 C23 -171.7(3) . . . . ? Dy1 O5 C33 C27 -171.7(3) . . . . ? Dy1 O5 C33 C34 8.2(7) . . . . ? Dy1 O6 C35 C34 3.8(8) . . . . ? Dy1 O6 C35 C36 -175.6(4) . . . . ? Dy1 N1 C40 C41 -170.5(4) . . . . ? Dy1 N1 C44 C43 169.0(3) . . . . ? Dy1 N1 C44 C45 -14.7(5) . . . . ? Dy1 N2 C45 C44 16.2(5) . . . . ? Dy1 N2 C45 C46 -166.6(3) . . . . ? Dy1 N2 C49 C48 166.8(3) . . . . ? O1 C7 C8 C9 0.3(7) . . . . ? O2 C9 C10 C11 54.2(8) . . . . ? O2 C9 C10 C12 171.6(6) . . . . ? O2 C9 C10 C13 -64.0(9) . . . . ? O2 C9 C10 C11A 122(2) . . . . ? O2 C9 C10 C12A -120(2) . . . . ? O2 C9 C10 C13A -6(3) . . . . ? O3 C20 C21 C22 -0.2(7) . . . . ? O4 C22 C23 C24 173.6(14) . . . . ? O4 C22 C23 C25 -64.6(11) . . . . ? O4 C22 C23 C26 26.3(14) . . . . ? O4 C22 C23 C24A -97.1(14) . . . . ? O4 C22 C23 C25A 46.5(14) . . . . ? O4 C22 C23 C26A 141.4(11) . . . . ? O5 C33 C34 C35 -1.0(8) . . . . ? O6 C35 C36 C37 125.9(6) . . . . ? O6 C35 C36 C38 -115.9(6) . . . . ? O6 C35 C36 C39 2.2(8) . . . . ? N1 C40 C41 C42 2.0(9) . . . . ? N1 C44 C45 N2 -1.1(5) . . . . ? N1 C44 C45 C46 -178.2(4) . . . . ? N2 C45 C46 C47 0.4(7) . . . . ? C1 C2 C3 C4 -1.7(11) . . . . ? C1 C7 C8 C9 -179.9(4) . . . . ? C2 C1 C6 C5 1.7(9) . . . . ? C2 C1 C7 O1 16.2(6) . . . . ? C2 C1 C7 C8 -163.6(5) . . . . ? C2 C3 C4 C5 3.5(12) . . . . ? C3 C4 C5 C6 -2.7(12) . . . . ? C4 C5 C6 C1 0.0(11) . . . . ? C6 C1 C2 C3 -0.9(9) . . . . ? C6 C1 C7 O1 -161.4(5) . . . . ? C6 C1 C7 C8 18.8(7) . . . . ? C7 C1 C2 C3 -178.7(6) . . . . ? C7 C1 C6 C5 179.4(6) . . . . ? C7 C8 C9 O2 3.6(7) . . . . ? C7 C8 C9 C10 -176.6(4) . . . . ? C8 C9 C10 C11 -125.6(7) . . . . ? C8 C9 C10 C12 -8.2(8) . . . . ? C8 C9 C10 C13 116.2(9) . . . . ? C8 C9 C10 C11A -57(2) . . . . ? C8 C9 C10 C12A 60(2) . . . . ? C8 C9 C10 C13A 174(3) . . . . ? C14 C15 C16 C17 -0.7(11) . . . . ? C14 C20 C21 C22 -178.0(4) . . . . ? C15 C14 C19 C18 2.0(9) . . . . ? C15 C14 C20 O3 161.0(4) . . . . ? C15 C14 C20 C21 -21.0(7) . . . . ? C15 C16 C17 C18 1.1(13) . . . . ? C16 C17 C18 C19 0.1(12) . . . . ? C17 C18 C19 C14 -1.7(10) . . . . ? C19 C14 C15 C16 -0.8(9) . . . . ? C19 C14 C20 O3 -19.5(6) . . . . ? C19 C14 C20 C21 158.5(5) . . . . ? C20 C14 C15 C16 178.7(6) . . . . ? C20 C14 C19 C18 -177.5(5) . . . . ? C20 C21 C22 O4 2.2(8) . . . . ? C20 C21 C22 C23 -173.8(5) . . . . ? C21 C22 C23 C24 -10.2(14) . . . . ? C21 C22 C23 C25 111.7(11) . . . . ? C21 C22 C23 C26 -157.5(13) . . . . ? C21 C22 C23 C24A 79.1(14) . . . . ? C21 C22 C23 C25A -137.2(13) . . . . ? C21 C22 C23 C26A -42.4(12) . . . . ? C27 C28 C29 C30 1.4(7) . . . . ? C27 C33 C34 C35 178.9(5) . . . . ? C28 C27 C32 C31 -0.7(7) . . . . ? C28 C27 C33 O5 27.7(6) . . . . ? C28 C27 C33 C34 -152.3(4) . . . . ? C28 C29 C30 C31 -0.8(7) . . . . ? C29 C30 C31 C32 -0.6(8) . . . . ? C30 C31 C32 C27 1.3(8) . . . . ? C32 C27 C28 C29 -0.7(6) . . . . ? C32 C27 C33 O5 -149.7(4) . . . . ? C32 C27 C33 C34 30.4(6) . . . . ? C33 C27 C28 C29 -178.2(4) . . . . ? C33 C27 C32 C31 176.7(4) . . . . ? C33 C34 C35 O6 -4.7(9) . . . . ? C33 C34 C35 C36 174.7(5) . . . . ? C34 C35 C36 C37 -53.5(7) . . . . ? C34 C35 C36 C38 64.7(7) . . . . ? C34 C35 C36 C39 -177.1(6) . . . . ? C40 N1 C44 C43 -1.3(6) . . . . ? C40 N1 C44 C45 175.0(4) . . . . ? C40 C41 C42 C43 -2.4(9) . . . . ? C41 C42 C43 C44 1.1(9) . . . . ? C42 C43 C44 N1 0.8(8) . . . . ? C42 C43 C44 C45 -175.3(5) . . . . ? C43 C44 C45 N2 175.1(4) . . . . ? C43 C44 C45 C46 -2.0(7) . . . . ? C44 N1 C40 C41 -0.1(8) . . . . ? C44 C45 C46 C47 177.4(5) . . . . ? C45 N2 C49 C48 -0.3(6) . . . . ? C45 C46 C47 C48 -1.5(8) . . . . ? C46 C47 C48 C49 1.7(8) . . . . ? C47 C48 C49 N2 -0.9(7) . . . . ? C49 N2 C45 C44 -176.7(4) . . . . ? C49 N2 C45 C46 0.5(6) . . . . ?