#------------------------------------------------------------------------------ #$Date: 2024-11-21 01:07:15 +0200 (Thu, 21 Nov 2024) $ #$Revision: 296015 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/32/1573211.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_1573211 loop_ _publ_author_name 'Kumar, Nitin' 'Gastelu, Gabriela' 'Zabransky, Martin' 'Kukla, Jaroslav' 'Uranga, Jorge Gustavo' 'Hulla, Martin' _publ_section_title ; Aluminium porphyrins catalyse the hydrogenation of CO2 withH2 ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC03665D _journal_year 2024 _chemical_formula_moiety 'C52 H48 Al N4 O2' _chemical_formula_sum 'C52 H48 Al N4 O2' _chemical_formula_weight 787.92 _chemical_name_systematic 'bis(diethylether)-(meso-tetraphenylporphyrinato)aluminium(III) complex' _space_group_crystal_system tetragonal _space_group_IT_number 86 _space_group_name_Hall '-P 4bc' _space_group_name_H-M_alt 'P 42/n :2' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _audit_update_record ; 2024-09-24 deposited with the CCDC. 2024-11-17 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 14.4907(3) _cell_length_b 14.4907(3) _cell_length_c 9.9423(3) _cell_measurement_reflns_used 9936 _cell_measurement_temperature 120(2) _cell_measurement_theta_max 28.2673 _cell_measurement_theta_min 2.4840 _cell_volume 2087.69(9) _computing_cell_refinement 'SAINT V8.40B (Bruker AXS LLC, 2019)' _computing_data_collection 'Bruker Instrument Service v8.5.1.2 Release' _computing_data_reduction 'SAINT V8.40B (Bruker AXS LLC, 2019)' _computing_molecular_graphics 'PLATON (Spek, 2018)' _computing_publication_material 'PLATON (Spek, 2018)' _computing_structure_refinement 'SHELXL-2019/1 (Sheldrick, 2019)' _computing_structure_solution 'XT, VERSION 2018/2' _diffrn_ambient_temperature 120(2) _diffrn_detector_area_resol_mean 7.3910 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device 'Bruker D8 Venture' _diffrn_measurement_device_type 'Kappa goniometer' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator 'multilayer mirror' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0322 _diffrn_reflns_av_unetI/netI 0.0145 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 35401 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.482 _diffrn_reflns_theta_min 2.484 _diffrn_source 'INCOATEC microfocus sealed tube' _exptl_absorpt_coefficient_mu 0.096 _exptl_absorpt_correction_T_max 0.99 _exptl_absorpt_correction_T_min 0.92 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker, 2005)' _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.253 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 834 _exptl_crystal_size_max 0.283 _exptl_crystal_size_mid 0.182 _exptl_crystal_size_min 0.150 _exptl_transmission_factor_max 0.746 _exptl_transmission_factor_min 0.695 _refine_diff_density_max 0.308 _refine_diff_density_min -0.390 _refine_diff_density_rms 0.042 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.106 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 140 _refine_ls_number_reflns 2390 _refine_ls_number_restraints 14 _refine_ls_restrained_S_all 1.115 _refine_ls_R_factor_all 0.0406 _refine_ls_R_factor_gt 0.0390 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0374P)^2^+1.1782P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0967 _refine_ls_wR_factor_ref 0.0978 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2275 _reflns_number_total 2390 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc03665d2.cif _cod_data_source_block mo_mz_nk_alh7_hulla_a _cod_depositor_comments ; The following automatic conversions were performed: data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was changed to 'multi-scan' in accordance with the /home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 last updated on 2011-04-26. data item '_exptl_crystal_density_meas' value 'not measured' was changed to '?' -- the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas ; _cod_original_cell_volume 2087.69(11) _cod_original_sg_symbol_H-M 'P 42/n' _cod_database_code 1573211 _shelx_shelxl_version_number 2019/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.973 _shelx_estimated_absorpt_t_max 0.986 _shelx_res_file ; TITL mo_mz_nk_alh7_hulla_a.res in P4(2)/n mo_mz_nk_alh7_hulla_a.res created by SHELXL-2019/3 at 09:15:58 on 24-Sep-2024 REM Old TITL mo_mz_nk_alh7_hulla in P4(2)/n REM SHELXT solution in P4(2)/n: R1 0.134, Rweak 0.005, Alpha 0.029 REM 0.632 for 93 systematic absences, Orientation as input REM Formula found by SHELXT: C52 Al N4 O2 CELL 0.71073 14.4907 14.4907 9.9423 90.000 90.000 90.000 ZERR 2.000 0.0003 0.0003 0.0003 0.000 0.000 0.000 LATT 1 SYMM 1/2-X, 1/2-Y, Z SYMM -Y, 1/2+X, 1/2+Z SYMM 1/2+Y, -X, 1/2+Z SFAC C H Al N O UNIT 104 96 2 8 4 TEMP -153.150 SIZE 0.150 0.182 0.283 L.S. 10 BOND $H SADI O1 C12A O1 C12B SADI C12A C13 C12B C13 SIMU C12A C13 SIMU C12B C13 ACTA CONF HTAB LIST 4 MERG 2 FMAP 2 PLAN 20 WGHT 0.037400 1.178200 FVAR 0.38594 0.69861 AL1 3 0.250000 0.250000 0.750000 10.25000 0.00956 0.00956 = 0.01841 0.00000 0.00000 0.00000 O1 5 0.250000 0.250000 0.545008 10.50000 0.01730 0.01459 = 0.01914 0.00000 0.00000 0.00083 N1 4 0.306954 0.374904 0.751196 11.00000 0.01124 0.01110 = 0.01960 0.00023 -0.00084 0.00024 C1 1 0.400267 0.396325 0.746911 11.00000 0.01319 0.01391 = 0.01845 0.00067 -0.00101 -0.00135 C2 1 0.413656 0.492656 0.768901 11.00000 0.01479 0.01366 = 0.02707 -0.00061 -0.00096 -0.00263 AFIX 43 H2 2 0.471139 0.524137 0.771283 11.00000 -1.20000 AFIX 0 C3 1 0.328733 0.531093 0.785843 11.00000 0.01648 0.01152 = 0.02786 -0.00122 -0.00051 -0.00132 AFIX 43 H3 2 0.315907 0.594177 0.803924 11.00000 -1.20000 AFIX 0 C4 1 0.262589 0.458807 0.771335 11.00000 0.01515 0.01169 = 0.01953 0.00065 -0.00002 -0.00006 C5 1 0.167179 0.471895 0.770788 11.00000 0.01501 0.01175 = 0.02034 0.00020 0.00055 0.00091 C6 1 0.130369 0.567409 0.787817 11.00000 0.01213 0.01181 = 0.02589 -0.00143 -0.00113 -0.00011 C7 1 0.082593 0.590885 0.904285 11.00000 0.02105 0.01755 = 0.02524 -0.00118 0.00143 -0.00055 AFIX 43 H7 2 0.073553 0.545866 0.972484 11.00000 -1.20000 AFIX 0 C8 1 0.047981 0.679432 0.921892 11.00000 0.02428 0.02134 = 0.03285 -0.00906 0.00416 0.00217 AFIX 43 H8 2 0.014963 0.694503 1.001464 11.00000 -1.20000 AFIX 0 C9 1 0.061495 0.745638 0.823855 11.00000 0.02067 0.01333 = 0.04555 -0.00579 -0.00160 0.00277 AFIX 43 H9 2 0.038128 0.806298 0.836252 11.00000 -1.20000 AFIX 0 C10 1 0.109056 0.723532 0.707693 11.00000 0.02479 0.01537 = 0.04018 0.00580 0.00015 0.00189 AFIX 43 H10 2 0.118392 0.769019 0.640242 11.00000 -1.20000 AFIX 0 C11 1 0.143228 0.634725 0.689572 11.00000 0.02103 0.01790 = 0.02888 0.00230 0.00368 0.00258 AFIX 43 H11 2 0.175655 0.619822 0.609418 11.00000 -1.20000 AFIX 0 PART 1 C12A 1 0.283148 0.172757 0.468794 21.00000 0.02537 0.01687 = 0.02034 -0.00385 0.00165 0.00243 AFIX 23 H12A 2 0.237784 0.159021 0.397080 21.00000 -1.20000 H12B 2 0.285711 0.118354 0.528911 21.00000 -1.20000 AFIX 0 PART 2 C12B 1 0.332343 0.260128 0.455373 -21.00000 0.01970 AFIX 23 H12C 2 0.313447 0.298473 0.377699 -21.00000 -1.20000 H12D 2 0.379343 0.295755 0.505639 -21.00000 -1.20000 PART 0 AFIX 0 C13 1 0.374037 0.184574 0.406346 11.00000 0.02787 0.06828 = 0.02198 -0.00545 0.00272 0.01276 PART 1 AFIX 137 H13A 2 0.372366 0.237387 0.344824 21.00000 -1.50000 H13B 2 0.390150 0.128665 0.356105 21.00000 -1.50000 H13C 2 0.420349 0.195570 0.476367 21.00000 -1.50000 AFIX 137 PART 2 H13D 2 0.332043 0.152586 0.344734 -21.00000 -1.50000 H13E 2 0.390453 0.143295 0.480668 -21.00000 -1.50000 H13F 2 0.430059 0.202672 0.357838 -21.00000 -1.50000 PART 0 AFIX 0 HKLF 4 REM mo_mz_nk_alh7_hulla_a.res in P4(2)/n REM wR2 = 0.0978, GooF = S = 1.106, Restrained GooF = 1.115 for all data REM R1 = 0.0390 for 2275 Fo > 4sig(Fo) and 0.0406 for all 2390 data REM 140 parameters refined using 14 restraints END WGHT 0.0374 1.1782 REM Instructions for potential hydrogen bonds EQIV $2 -x+1/2, -y+1/2, z HTAB C12A N1_$2 REM Highest difference peak 0.308, deepest hole -0.390, 1-sigma level 0.042 Q1 1 0.1442 0.5203 0.7753 11.00000 0.05 0.31 Q2 1 0.1383 0.4372 0.7545 11.00000 0.05 0.30 Q3 1 0.2961 0.4949 0.7736 11.00000 0.05 0.29 Q4 1 0.1492 0.6041 0.7523 11.00000 0.05 0.26 Q5 1 0.4173 0.1605 0.3504 11.00000 0.05 0.26 Q6 1 0.0609 0.6327 0.9045 11.00000 0.05 0.25 Q7 1 0.2789 0.3200 0.7476 11.00000 0.05 0.25 Q8 1 0.2170 0.4598 0.7772 11.00000 0.05 0.24 Q9 1 0.1020 0.5760 0.8411 11.00000 0.05 0.22 Q10 1 0.4179 0.4401 0.7651 11.00000 0.05 0.22 Q11 1 0.3727 0.5207 0.7600 11.00000 0.05 0.20 Q12 1 0.2805 0.4159 0.7610 11.00000 0.05 0.20 Q13 1 0.0469 0.7033 0.8534 11.00000 0.05 0.20 Q14 1 0.1288 0.6797 0.7069 11.00000 0.05 0.18 Q15 1 0.0653 0.7306 0.7525 11.00000 0.05 0.17 Q16 1 0.3533 0.3804 0.7528 11.00000 0.05 0.16 Q17 1 0.1046 0.6716 0.6864 11.00000 0.05 0.16 Q18 1 0.3371 0.2143 0.4489 11.00000 0.05 0.13 Q19 1 0.2712 0.2150 0.5085 11.00000 0.05 0.12 Q20 1 0.3188 0.1065 0.3429 11.00000 0.05 0.12 ; _shelx_res_checksum 62431 _shelx_hkl_file ; 2 1 0 0.10 0.10 -2 -1 0 0.00 0.10 -2 -1 0 0.10 0.10 -2 -1 0 0.00 0.10 -2 -1 0 0.00 0.10 -1 2 0 0.30 0.20 -1 2 0 0.00 0.10 -1 2 0 -0.10 0.10 1 -2 0 -0.10 0.20 1 -2 0 0.10 0.10 1 -2 0 0.00 0.10 2 1 0 0.10 0.10 2 1 0 -0.10 0.10 2 1 0 0.00 0.10 0 2 0 370.76 32.60 -2 0 0 437.46 23.90 0 -2 0 454.85 35.30 2 0 0 470.05 24.60 1 2 0 0.10 0.10 -1 -2 0 0.00 0.10 -1 -2 0 0.10 0.10 -1 -2 0 0.20 0.10 2 -1 0 0.00 0.10 -2 1 0 0.00 0.10 -1 -2 0 -0.10 0.10 1 2 0 0.10 0.10 1 2 0 0.10 0.10 -2 -2 0 164.88 4.00 -2 -2 0 171.08 4.00 -2 -2 0 169.28 3.90 2 2 0 159.68 3.90 2 2 0 167.08 3.90 2 2 0 166.08 4.00 -2 2 0 161.88 4.10 -2 2 0 165.98 3.70 -2 2 0 165.58 3.80 -2 -2 0 165.98 4.10 3 2 0 -0.20 0.10 -3 -2 0 -0.10 0.10 3 2 0 0.00 0.10 3 2 0 0.10 0.20 3 2 0 -0.10 0.20 -3 -2 0 0.00 0.20 2 -3 0 0.00 0.10 2 -3 0 0.10 0.10 -2 3 0 0.10 0.20 -2 3 0 -0.10 0.20 -3 -2 0 0.00 0.20 -3 -2 0 0.10 0.20 -1 3 0 410.36 9.60 0 -3 0 0.00 0.20 -3 0 0 0.10 0.10 0 3 0 0.10 0.20 -3 0 0 0.00 0.10 0 3 0 -0.10 0.20 3 0 0 -0.20 0.10 0 -3 0 0.00 0.20 0 3 0 0.00 0.20 0 -3 0 0.30 0.20 3 -1 0 3501.75 98.39 -1 -3 0 3385.56 139.19 1 3 0 3497.15 140.19 -3 1 0 3391.66 99.29 -3 2 0 0.00 0.10 3 -2 0 -0.20 0.10 -3 2 0 0.00 0.10 2 3 0 0.30 0.20 -2 -3 0 0.30 0.30 2 3 0 -0.20 0.20 -2 -3 0 0.00 0.20 -2 -3 0 -0.20 0.20 2 3 0 -0.10 0.20 -3 -3 0 215.78 5.20 -3 -3 0 211.18 5.20 3 3 0 220.38 5.10 3 3 0 214.68 5.20 -3 3 0 212.68 5.40 -3 3 0 210.28 4.90 -3 3 0 216.28 4.90 -3 -3 0 218.58 5.30 3 3 0 214.58 5.20 3 -4 0 0.10 0.10 -4 -3 0 0.00 0.20 -4 -3 0 -0.20 0.10 -4 -3 0 0.00 0.20 -3 4 0 -0.10 0.10 4 3 0 0.10 0.20 3 -4 0 0.20 0.10 -3 4 0 -0.10 0.20 4 3 0 0.00 0.10 -4 -3 0 0.00 0.20 -3 4 0 0.00 0.20 2 -4 0 161.48 4.30 2 -4 0 156.58 3.70 2 -4 0 155.78 4.20 4 2 0 156.78 4.00 -2 4 0 157.58 4.20 -4 -2 0 158.48 4.00 -4 -2 0 155.88 3.80 -4 -2 0 158.58 3.90 -2 4 0 158.48 3.80 -4 -2 0 158.98 3.90 -4 -1 0 0.10 0.20 -1 4 0 -0.20 0.20 -1 4 0 0.20 0.20 -1 4 0 0.10 0.20 1 -4 0 0.00 0.20 -4 -1 0 0.10 0.10 1 -4 0 -0.10 0.10 1 -4 0 0.00 0.20 4 1 0 0.20 0.20 0 4 0 126.49 3.40 0 -4 0 127.39 3.40 0 -4 0 125.09 3.00 0 4 0 119.69 3.30 0 -4 0 119.39 3.30 -4 0 0 115.39 3.00 4 0 0 124.19 3.00 -4 0 0 123.59 2.90 0 4 0 126.19 3.10 -1 -4 0 0.10 0.20 1 4 0 0.20 0.20 1 4 0 -0.10 0.20 -4 1 0 0.30 0.20 1 4 0 -0.20 0.20 -1 -4 0 0.00 0.20 -1 -4 0 -0.10 0.20 4 -1 0 0.10 0.10 -1 -4 0 0.00 0.20 4 -2 0 87.29 2.10 -2 -4 0 89.69 2.50 2 4 0 87.29 2.50 -2 -4 0 88.29 2.30 2 4 0 88.39 2.50 -2 -4 0 87.39 2.60 -2 -4 0 87.29 2.50 2 4 0 84.59 2.30 3 4 0 -0.20 0.20 -3 -4 0 -0.10 0.20 -4 3 0 -0.10 0.10 -4 3 0 -0.10 0.10 -3 -4 0 0.00 0.20 -3 -4 0 0.10 0.20 3 4 0 -0.10 0.20 3 4 0 0.10 0.20 4 -3 0 0.00 0.10 -3 -4 0 0.00 0.30 -4 4 0 212.28 5.90 -4 -4 0 221.28 5.50 -4 -4 0 233.08 5.60 -4 4 0 226.98 5.90 4 4 0 229.28 5.60 4 4 0 220.88 5.50 -4 -4 0 225.48 5.80 -4 -4 0 230.58 5.60 -4 4 0 233.98 5.20 -4 5 0 0.00 0.30 -5 -4 0 -0.10 0.20 -5 -4 0 -0.20 0.20 5 4 0 0.40 0.30 -4 5 0 0.00 0.40 -5 -4 0 -0.10 0.30 5 4 0 -0.20 0.20 -4 5 0 0.20 0.20 -5 -4 0 -0.10 0.20 5 3 0 2.00 0.30 -3 5 0 2.50 0.30 -3 5 0 2.80 0.50 -5 -3 0 2.50 0.40 3 -5 0 3.60 0.30 -3 5 0 3.20 0.60 -5 -3 0 1.90 0.30 3 -5 0 2.90 0.30 -5 -3 0 3.00 0.40 5 3 0 3.90 0.50 -5 -3 0 2.40 0.40 -2 5 0 0.00 0.30 2 -5 0 0.30 0.30 2 -5 0 0.10 0.10 -5 -2 0 0.10 0.20 -5 -2 0 0.10 0.20 -5 -2 0 0.20 0.20 -2 5 0 -0.10 0.20 -2 5 0 0.00 0.30 -5 -2 0 0.20 0.20 5 2 0 0.10 0.20 2 -5 0 0.10 0.30 5 1 0 164.48 4.10 -1 5 0 165.88 4.50 -5 -1 0 163.88 3.90 -1 5 0 171.98 4.10 -5 -1 0 163.08 4.10 1 -5 0 167.38 4.50 -1 5 0 160.38 4.50 1 -5 0 166.78 4.00 1 -5 0 164.28 4.50 -5 0 0 0.80 0.20 0 -5 0 0.50 0.30 -5 0 0 0.50 0.10 0 5 0 0.70 0.30 0 -5 0 0.80 0.30 0 5 0 0.80 0.30 0 -5 0 0.60 0.20 0 5 0 0.50 0.20 5 0 0 0.30 0.20 0 -5 0 0.70 0.30 -1 -5 0 153.78 4.20 1 5 0 153.38 4.10 -1 -5 0 152.98 4.20 -1 -5 0 159.68 3.80 -5 1 0 152.18 3.50 -1 -5 0 159.08 4.20 5 -1 0 153.98 3.60 1 5 0 153.38 3.90 1 5 0 150.78 4.10 -5 1 0 148.39 3.70 -2 -5 0 0.10 0.20 2 5 0 0.20 0.30 2 5 0 0.30 0.30 -2 -5 0 0.00 0.20 -2 -5 0 0.10 0.30 5 -2 0 -0.10 0.10 -5 2 0 0.10 0.20 -2 -5 0 0.30 0.30 2 5 0 0.00 0.20 -5 3 0 454.15 10.20 5 -3 0 453.35 10.30 -3 -5 0 459.55 10.90 -3 -5 0 474.15 11.00 -3 -5 0 461.25 10.60 3 5 0 452.05 10.60 3 5 0 464.05 10.80 3 5 0 441.96 10.80 -3 -5 0 454.35 10.80 4 5 0 -0.10 0.20 -5 4 0 0.10 0.10 4 5 0 -0.40 0.20 -5 4 0 -0.10 0.20 5 -4 0 0.20 0.20 -4 -5 0 -0.20 0.30 -4 -5 0 -0.10 0.30 -4 -5 0 0.00 0.30 -5 4 0 0.40 0.40 -4 -5 0 -0.10 0.30 5 5 0 269.67 6.60 -5 -5 0 246.88 6.70 -5 5 0 253.57 7.00 -5 5 0 256.37 7.00 5 5 0 270.57 6.60 -5 5 0 271.47 6.20 -5 -5 0 278.67 6.70 -5 -5 0 270.17 6.70 -5 6 0 0.30 0.40 -6 -5 0 -0.20 0.40 -6 -5 0 -0.10 0.30 -5 6 0 0.30 0.40 6 5 0 -0.10 0.20 6 5 0 -0.20 0.20 -6 -5 0 -0.10 0.30 -6 -5 0 0.30 0.30 -6 -4 0 201.98 5.10 6 4 0 194.08 5.00 4 -6 0 198.08 4.50 -6 -4 0 188.48 5.20 -6 -4 0 193.28 4.90 -6 -4 0 197.58 5.00 -4 6 0 188.78 5.50 -4 6 0 196.68 4.80 6 4 0 198.08 5.00 3 -6 0 0.10 0.20 -6 -3 0 -0.10 0.40 -6 -3 0 0.00 0.20 -3 6 0 -0.10 0.40 -3 6 0 0.60 0.30 -6 -3 0 0.00 0.20 -3 6 0 0.00 0.40 -6 -3 0 0.00 0.20 2 -6 0 0.40 0.20 -6 -2 0 0.10 0.20 -6 -2 0 0.40 0.30 2 -6 0 0.00 0.40 2 -6 0 -0.10 0.20 6 2 0 0.30 0.30 -2 6 0 0.50 0.30 -2 6 0 0.80 0.40 -6 -2 0 0.70 0.30 -6 -2 0 1.00 0.30 -2 6 0 -0.10 0.30 1 -6 0 -0.50 0.30 1 -6 0 0.20 0.30 -6 -1 0 0.00 0.20 -6 -1 0 0.00 0.20 -1 6 0 0.20 0.40 6 1 0 0.10 0.20 1 -6 0 0.50 0.40 -1 6 0 0.30 0.20 1 -6 0 -0.40 0.20 0 -6 0 439.96 10.40 6 0 0 430.96 9.90 0 -6 0 422.36 10.50 0 -6 0 433.06 10.50 0 6 0 436.06 10.00 0 6 0 418.76 10.40 0 6 0 433.66 10.40 -6 0 0 416.06 9.90 0 -6 0 438.96 10.00 -6 0 0 441.26 9.70 -1 -6 0 0.10 0.30 -1 -6 0 0.10 0.30 1 6 0 0.00 0.30 -6 1 0 0.00 0.10 1 6 0 0.00 0.30 -6 1 0 0.00 0.20 -1 -6 0 -0.20 0.20 -1 -6 0 0.30 0.40 1 6 0 0.00 0.40 6 -1 0 0.10 0.20 2 6 0 582.34 13.60 6 -2 0 573.64 12.90 -2 -6 0 585.14 13.70 -6 2 0 549.05 13.00 -2 -6 0 596.84 13.30 2 6 0 571.94 13.60 -2 -6 0 582.44 13.70 -2 -6 0 578.44 13.70 2 6 0 587.94 13.40 -3 -6 0 0.10 0.40 -3 -6 0 0.30 0.30 6 -3 0 -0.10 0.20 3 6 0 -0.30 0.20 3 6 0 0.00 0.30 -3 -6 0 0.20 0.30 -6 3 0 0.20 0.10 -3 -6 0 -0.30 0.30 3 6 0 -0.40 0.30 4 6 0 972.60 22.40 -4 -6 0 990.30 22.50 -4 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118.19 3.90 3 -7 0 111.29 3.60 -7 -2 0 0.20 0.20 7 2 0 -0.30 0.30 -7 -2 0 0.00 0.20 2 -7 0 0.10 0.40 2 -7 0 0.20 0.20 -7 -2 0 0.30 0.30 2 -7 0 -0.20 0.30 -2 7 0 0.20 0.40 -7 -2 0 0.40 0.20 2 -7 0 0.50 0.40 -2 7 0 0.10 0.40 -2 7 0 0.10 0.30 -7 -1 0 186.28 4.90 7 1 0 196.58 4.90 -1 7 0 196.68 5.60 -7 -1 0 196.78 4.70 -1 7 0 194.18 5.00 -1 7 0 193.48 5.50 1 -7 0 196.48 5.30 1 -7 0 206.58 5.60 1 -7 0 202.18 4.80 7 0 0 1.00 0.30 -7 0 0 1.40 0.40 -7 0 0 1.20 0.20 0 -7 0 1.20 0.40 0 -7 0 1.00 0.40 0 7 0 0.60 0.40 0 -7 0 1.20 0.30 0 7 0 1.30 0.50 0 7 0 0.80 0.40 0 -7 0 0.90 0.40 -1 -7 0 1061.99 23.90 -1 -7 0 1078.99 23.90 -7 1 0 970.00 23.40 1 7 0 1027.70 23.90 2 7 0 -0.10 0.30 -2 -7 0 0.70 0.40 7 -2 0 0.10 0.20 -2 -7 0 0.40 0.30 -7 2 0 0.00 0.20 -2 -7 0 0.10 0.40 2 7 0 -0.40 0.30 -7 2 0 -0.10 0.10 -2 -7 0 -0.10 0.40 2 7 0 -0.20 0.30 -7 3 0 85.99 2.00 -3 -7 0 86.49 2.90 -3 -7 0 86.99 2.90 7 -3 0 84.39 2.10 -3 -7 0 88.39 3.00 3 7 0 87.09 2.90 3 7 0 83.29 2.60 3 7 0 81.39 2.80 7 -4 0 0.00 0.20 -4 -7 0 -0.10 0.30 -4 -7 0 0.10 0.30 -7 4 0 -0.10 0.10 -4 -7 0 -0.10 0.30 4 7 0 -0.20 0.30 4 7 0 -0.50 0.20 7 -5 0 5.40 0.50 5 7 0 4.30 0.60 -7 5 0 4.80 0.80 -5 -7 0 6.20 0.80 -5 -7 0 5.90 0.80 -5 -7 0 6.30 0.70 -5 -7 0 6.50 0.90 -7 5 0 5.80 0.40 -7 5 0 4.60 0.90 7 -6 0 -0.30 0.20 6 7 0 -0.20 0.20 -6 -7 0 0.40 0.30 -7 6 0 -0.20 0.30 -6 -7 0 -0.10 0.30 -6 -7 0 0.00 0.30 6 7 0 -0.10 0.20 -6 -7 0 0.30 0.40 -7 6 0 -0.10 0.30 -7 -7 0 50.99 2.10 -7 -7 0 51.29 2.10 -7 7 0 49.99 2.40 7 -7 0 50.89 1.80 -7 7 0 46.10 2.40 -7 -7 0 43.70 1.80 -7 -7 0 49.60 2.20 7 7 0 52.19 2.00 8 7 0 0.40 0.30 -8 -7 0 -0.20 0.30 7 -8 0 -0.40 0.30 -8 -7 0 -0.40 0.40 8 7 0 -0.30 0.20 -7 8 0 -0.30 0.40 -8 -7 0 -0.10 0.30 -7 8 0 0.00 0.40 -8 -7 0 -0.30 0.30 -8 -6 0 0.40 0.40 -8 -6 0 1.30 0.40 -6 8 0 0.40 0.50 -8 -6 0 1.70 0.50 6 -8 0 1.00 0.40 -6 8 0 0.80 0.60 8 6 0 1.10 0.40 8 6 0 1.00 0.30 -8 -6 0 0.70 0.40 -8 -5 0 -0.10 0.40 -5 8 0 -0.10 0.30 -8 -5 0 -0.20 0.20 -8 -5 0 0.00 0.30 -5 8 0 -0.10 0.30 5 -8 0 0.40 0.10 5 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-0.10 0.30 -8 1 0 0.00 0.10 -1 -8 0 0.10 0.50 8 -1 0 0.10 0.20 1 8 0 0.60 0.40 1 8 0 -0.20 0.20 -1 -8 0 0.40 0.30 -8 2 0 12.00 0.40 -2 -8 0 11.70 0.80 2 8 0 12.10 1.00 2 8 0 11.00 0.80 -2 -8 0 12.10 1.00 -2 -8 0 12.30 1.00 2 8 0 11.90 1.00 -8 2 0 11.50 0.70 -2 -8 0 13.30 1.10 8 -2 0 11.80 0.50 -3 -8 0 0.30 0.30 -3 -8 0 0.60 0.40 -8 3 0 0.00 0.10 8 -3 0 0.00 0.10 3 8 0 -0.30 0.30 -3 -8 0 -0.10 0.30 -3 -8 0 -0.20 0.30 3 8 0 -0.10 0.30 4 8 0 93.99 3.10 -4 -8 0 99.59 3.30 4 8 0 92.09 3.10 -4 -8 0 99.89 2.90 -4 -8 0 101.49 3.40 -4 -8 0 96.29 3.30 -8 4 0 94.09 2.40 8 -4 0 96.59 2.40 -5 -8 0 -0.10 0.30 -5 -8 0 -0.10 0.30 5 8 0 0.30 0.30 -8 5 0 0.00 0.40 -5 -8 0 0.10 0.30 -8 5 0 0.00 0.20 5 8 0 0.00 0.30 -8 5 0 -0.20 0.40 8 -5 0 0.20 0.20 -5 -8 0 -0.10 0.40 -8 6 0 364.76 8.50 -6 -8 0 374.16 9.40 -8 6 0 354.46 9.70 -6 -8 0 379.26 9.40 -6 -8 0 355.26 9.00 8 -6 0 370.26 8.50 6 8 0 363.36 9.20 6 8 0 367.76 9.60 -6 -8 0 364.76 9.60 -8 6 0 363.76 9.80 7 8 0 0.00 0.30 -8 7 0 -0.20 0.40 -7 -8 0 -0.60 0.40 -8 7 0 -0.20 0.30 -7 -8 0 -0.40 0.30 -7 -8 0 -0.40 0.30 8 -7 0 0.50 0.20 7 8 0 0.30 0.30 -7 -8 0 0.20 0.30 8 -7 0 -0.20 0.20 8 8 0 54.59 2.20 8 -8 0 55.89 2.00 -8 8 0 55.79 2.80 8 -8 0 58.09 1.90 -8 -8 0 56.09 2.10 8 8 0 61.09 2.30 -8 -8 0 57.69 2.40 -8 -8 0 61.59 2.40 -8 -8 0 59.19 2.60 -8 8 0 64.79 2.90 -9 -8 0 -0.30 0.50 9 8 0 0.20 0.30 -8 9 0 -0.20 0.50 -9 -8 0 -0.50 0.30 -9 -8 0 -0.20 0.30 9 8 0 0.20 0.30 8 -9 0 0.20 0.30 -8 9 0 -0.10 0.40 8 -9 0 0.10 0.30 -9 -8 0 0.50 0.40 7 -9 0 125.69 3.60 -7 9 0 131.59 4.60 -9 -7 0 130.19 3.90 -7 9 0 119.39 4.50 -9 -7 0 123.09 3.70 -9 -7 0 126.39 3.90 -9 -7 0 118.99 4.10 9 7 0 119.99 4.10 -6 9 0 0.50 0.50 -9 -6 0 0.00 0.30 -6 9 0 0.40 0.50 -9 -6 0 -0.30 0.40 -9 -6 0 0.00 0.30 -9 -6 0 -0.20 0.30 5 -9 0 534.55 11.90 -9 -5 0 534.15 12.60 -9 -5 0 525.35 12.50 5 -9 0 516.55 12.60 -9 -5 0 515.65 12.80 5 -9 0 524.65 11.80 -5 9 0 520.05 13.40 -9 -5 0 511.55 12.30 -5 9 0 526.65 13.40 -9 -4 0 0.40 0.30 -4 9 0 -0.20 0.40 -9 -4 0 0.20 0.40 4 -9 0 0.20 0.20 -4 9 0 -0.20 0.40 -9 -4 0 0.20 0.30 -9 -4 0 0.00 0.20 4 -9 0 0.20 0.20 -9 -3 0 659.03 15.30 -9 -3 0 684.63 15.60 3 -9 0 661.53 16.30 3 -9 0 677.43 15.90 -9 -3 0 691.53 15.70 -3 9 0 658.33 16.40 -9 -3 0 650.53 15.70 3 -9 0 667.03 15.20 -3 9 0 661.53 16.40 -9 -2 0 -0.30 0.20 2 -9 0 0.20 0.50 2 -9 0 -0.20 0.30 -2 9 0 0.10 0.40 -2 9 0 -0.10 0.30 -9 -2 0 0.30 0.20 2 -9 0 0.00 0.20 2 -9 0 0.10 0.40 -9 -2 0 -0.20 0.20 -9 -2 0 0.10 0.30 1 -9 0 197.38 5.60 -9 -1 0 185.68 5.10 1 -9 0 195.88 5.80 -1 9 0 194.38 5.70 -1 9 0 195.08 5.80 -9 -1 0 195.18 4.70 1 -9 0 191.48 4.90 1 -9 0 208.48 5.90 -9 0 0 0.10 0.20 0 -9 0 -0.10 0.40 0 -9 0 -0.30 0.30 0 9 0 0.20 0.40 0 -9 0 0.00 0.30 0 9 0 0.00 0.40 9 0 0 0.00 0.20 -9 0 0 0.00 0.30 0 -9 0 -0.10 0.20 1 9 0 44.70 2.10 -9 1 0 45.10 1.60 -1 -9 0 48.80 2.20 -1 -9 0 50.19 1.70 1 9 0 48.40 2.20 -9 1 0 48.70 1.40 -1 -9 0 50.79 2.20 -1 -9 0 49.20 2.20 9 -1 0 47.60 1.50 -2 -9 0 0.60 0.40 2 9 0 -0.40 0.30 -2 -9 0 0.00 0.30 2 9 0 -0.10 0.30 -9 2 0 0.00 0.10 -2 -9 0 -0.40 0.20 9 -2 0 0.10 0.20 -2 -9 0 0.10 0.40 -9 2 0 0.30 0.20 -3 -9 0 150.38 4.10 -9 3 0 146.19 3.50 3 9 0 146.29 4.50 9 -3 0 147.59 3.50 -3 -9 0 151.18 4.60 -3 -9 0 148.19 4.60 3 9 0 147.29 4.50 4 9 0 0.20 0.40 -4 -9 0 -0.40 0.40 -4 -9 0 0.30 0.30 4 9 0 -0.20 0.30 -4 -9 0 0.30 0.40 -4 -9 0 0.10 0.40 -9 4 0 0.00 0.10 -5 -9 0 311.07 8.20 5 9 0 306.57 8.00 -5 -9 0 302.57 7.70 -5 -9 0 315.67 8.20 -9 5 0 298.47 8.30 -5 -9 0 309.87 8.30 -9 5 0 300.87 7.10 5 9 0 301.17 8.00 -6 -9 0 0.50 0.60 -9 6 0 -0.10 0.20 -6 -9 0 -0.20 0.30 9 -6 0 0.10 0.20 -9 6 0 0.20 0.50 -6 -9 0 0.00 0.40 -9 6 0 0.90 0.50 -6 -9 0 -0.20 0.30 6 9 0 0.30 0.30 9 -6 0 -0.20 0.20 6 9 0 -0.20 0.30 7 9 0 -0.20 0.30 7 9 0 0.10 0.30 9 -7 0 0.30 0.30 -9 7 0 0.20 0.50 -7 -9 0 0.10 0.30 -7 -9 0 -0.40 0.40 -9 7 0 0.40 0.60 -7 -9 0 -0.40 0.40 -7 -9 0 -0.80 0.30 9 -7 0 0.00 0.20 8 9 0 0.70 0.40 -8 -9 0 0.20 0.40 -8 -9 0 0.30 0.50 -9 8 0 -0.40 0.40 -9 8 0 -0.10 0.50 8 9 0 0.30 0.30 9 -8 0 0.60 0.30 9 -8 0 0.30 0.30 -8 -9 0 0.20 0.40 -8 -9 0 0.20 0.50 -9 9 0 7.80 1.30 9 -9 0 5.30 0.70 9 9 0 5.90 0.90 -9 9 0 4.40 0.90 -9 -9 0 5.30 0.90 -9 -9 0 4.80 1.00 9 -9 0 5.30 0.60 -9 -9 0 6.20 1.00 -9 -9 0 6.50 0.90 9 9 0 5.80 0.90 9 -10 0 0.00 0.40 -9 10 0 -1.10 0.80 10 9 0 0.30 0.30 9 -10 0 -0.30 0.30 -10 -9 0 -0.60 0.30 -10 -9 0 0.90 0.70 -9 10 0 0.60 0.70 -10 -9 0 -0.30 0.40 -10 -9 0 0.00 0.40 10 9 0 0.50 0.40 -8 10 0 266.27 8.20 -8 10 0 273.47 8.20 -10 -8 0 261.77 7.30 -10 -8 0 275.87 7.10 -10 -8 0 267.27 7.70 8 -10 0 268.47 6.90 -10 -8 0 263.37 7.30 -10 -7 0 -0.30 0.30 -10 -7 0 0.00 0.40 -10 -7 0 0.70 0.50 7 -10 0 0.00 0.40 -7 10 0 0.20 0.50 -10 -7 0 -0.20 0.30 -7 10 0 -0.70 0.50 -10 -6 0 39.10 1.80 -10 -6 0 38.50 2.00 -10 -6 0 40.30 1.80 6 -10 0 41.00 1.80 -6 10 0 42.10 2.40 -6 10 0 40.30 2.40 -10 -6 0 40.20 1.70 5 -10 0 0.10 0.20 -10 -5 0 0.70 0.50 -10 -5 0 0.20 0.30 5 -10 0 0.50 0.20 -10 -5 0 -0.40 0.30 -5 10 0 0.00 0.50 5 -10 0 -0.20 0.40 -10 -5 0 0.10 0.30 -5 10 0 -0.20 0.40 4 -10 0 751.32 16.90 -4 10 0 736.53 18.50 -10 -4 0 743.63 17.50 -10 -4 0 757.12 17.50 4 -10 0 767.02 17.10 -10 -4 0 745.43 17.20 -4 10 0 736.33 18.50 -10 -4 0 750.52 17.70 -3 10 0 -0.30 0.40 -10 -3 0 0.50 0.40 -10 -3 0 -0.10 0.30 -10 -3 0 0.30 0.30 3 -10 0 0.10 0.40 -3 10 0 0.10 0.50 3 -10 0 0.00 0.50 -10 -3 0 -0.40 0.20 3 -10 0 0.00 0.20 -2 10 0 394.96 10.50 2 -10 0 402.56 9.60 -10 -2 0 397.26 9.70 -10 -2 0 380.16 10.10 2 -10 0 410.26 10.70 -2 10 0 406.06 10.60 2 -10 0 392.66 10.20 -10 -2 0 404.56 9.80 2 -10 0 419.46 11.70 -10 -2 0 382.46 9.80 -1 10 0 -0.40 0.30 1 -10 0 0.70 0.40 -10 -1 0 0.00 0.30 1 -10 0 0.30 0.40 -1 10 0 -0.10 0.40 -10 -1 0 -0.10 0.20 1 -10 0 0.00 0.40 1 -10 0 -0.10 0.20 -10 0 0 91.79 2.80 0 -10 0 99.39 3.40 0 -10 0 91.09 3.50 0 10 0 95.19 3.50 0 10 0 92.99 3.50 -10 0 0 92.99 2.50 0 -10 0 96.79 2.80 0 -10 0 92.39 3.50 -1 -10 0 0.50 0.50 -10 1 0 -0.20 0.20 -1 -10 0 0.20 0.30 1 10 0 0.40 0.40 -1 -10 0 0.00 0.30 1 10 0 0.30 0.50 -10 1 0 0.00 0.20 -10 2 0 195.48 5.10 -10 2 0 199.68 4.80 -2 -10 0 205.88 6.00 -2 -10 0 200.08 5.30 2 10 0 199.58 5.90 -2 -10 0 222.88 6.80 2 10 0 196.58 5.90 -2 -10 0 206.78 6.10 -3 -10 0 0.50 0.50 -3 -10 0 -0.20 0.30 3 10 0 0.30 0.40 -3 -10 0 0.30 0.40 -3 -10 0 0.00 0.30 -10 3 0 -0.20 0.10 3 10 0 -0.30 0.30 4 10 0 72.09 2.80 4 10 0 75.29 2.90 -4 -10 0 75.29 3.00 -4 -10 0 75.49 3.00 -10 4 0 72.69 1.90 -4 -10 0 72.29 2.50 -4 -10 0 75.39 3.00 -5 -10 0 0.00 0.30 5 10 0 0.10 0.30 5 10 0 0.00 0.40 -10 5 0 -0.40 0.40 -5 -10 0 -0.60 0.50 -5 -10 0 0.50 0.50 -5 -10 0 0.00 0.30 -10 5 0 0.30 0.20 -10 6 0 45.70 2.50 6 10 0 49.30 2.20 -6 -10 0 51.59 2.50 -10 6 0 45.90 1.50 -6 -10 0 50.59 2.30 -6 -10 0 50.49 2.00 6 10 0 48.70 2.20 -10 6 0 50.69 2.50 7 10 0 -0.20 0.40 -7 -10 0 -0.50 0.50 10 -7 0 0.10 0.20 7 10 0 0.00 0.40 -7 -10 0 -0.20 0.40 -10 7 0 0.30 0.50 -10 7 0 0.10 0.50 -7 -10 0 0.40 0.40 -10 7 0 -0.20 0.20 -7 -10 0 -0.20 0.40 8 10 0 75.59 2.90 10 -8 0 74.59 2.10 -8 -10 0 73.59 2.70 10 -8 0 75.49 2.10 -8 -10 0 79.29 3.30 8 10 0 74.49 2.90 -8 -10 0 76.29 3.00 -10 8 0 78.69 3.50 -10 8 0 80.59 3.50 -8 -10 0 76.29 3.00 9 10 0 -0.10 0.30 -9 -10 0 -0.50 0.50 10 -9 0 0.10 0.30 -10 9 0 0.60 0.50 10 -9 0 0.30 0.30 -10 9 0 -0.60 0.60 -9 -10 0 -0.20 0.30 9 10 0 0.10 0.40 -9 -10 0 -0.30 0.40 -10 -10 0 528.15 13.40 10 10 0 544.45 13.30 10 10 0 560.64 13.30 -10 -10 0 522.05 13.90 -10 10 0 538.15 14.40 10 -10 0 517.85 12.40 -10 -10 0 534.25 13.50 10 -10 0 529.95 12.50 -10 10 0 506.05 14.60 10 -11 0 0.90 0.40 -11 -10 0 0.50 0.50 -11 -10 0 0.20 0.40 -10 11 0 0.10 0.70 -10 11 0 0.10 0.60 10 -11 0 -0.10 0.30 -11 -10 0 -0.20 0.60 -11 -10 0 0.20 0.50 9 -11 0 64.69 2.40 -9 11 0 66.39 3.40 -11 -9 0 72.19 2.60 -11 -9 0 65.79 2.80 -9 11 0 66.49 3.40 -11 -9 0 67.89 3.20 9 -11 0 59.19 2.30 8 -11 0 0.00 0.40 -11 -8 0 -0.40 0.40 -11 -8 0 0.70 0.50 -11 -8 0 0.40 0.60 -11 -8 0 -0.30 0.40 -8 11 0 -0.30 0.60 -8 11 0 0.00 0.60 -11 -7 0 1.60 0.50 -7 11 0 1.70 0.80 -11 -7 0 1.70 0.60 7 -11 0 2.20 0.60 -11 -7 0 1.90 0.70 -11 -7 0 2.40 0.70 -7 11 0 1.40 0.80 -6 11 0 0.10 0.70 -11 -6 0 0.50 0.50 -11 -6 0 0.10 0.30 -6 11 0 -0.10 0.50 -11 -6 0 0.20 0.40 6 -11 0 0.10 0.40 -11 -6 0 -0.30 0.30 -5 11 0 485.75 12.80 -11 -5 0 481.75 11.70 -11 -5 0 479.15 11.50 5 -11 0 475.95 12.00 5 -11 0 482.15 11.00 -11 -5 0 477.55 11.80 -11 -5 0 476.45 12.00 -5 11 0 466.35 12.70 5 -11 0 486.75 11.10 -11 -4 0 0.30 0.30 -11 -4 0 0.60 0.30 4 -11 0 0.10 0.30 -4 11 0 -0.80 0.40 4 -11 0 0.00 0.40 -11 -4 0 0.30 0.40 -11 -4 0 -0.20 0.40 -4 11 0 -0.40 0.40 -11 -3 0 492.25 12.00 3 -11 0 487.15 12.30 -11 -3 0 493.55 11.90 -3 11 0 481.85 12.80 -3 11 0 502.35 12.90 -11 -3 0 479.75 11.50 -11 -3 0 501.05 11.90 3 -11 0 485.05 11.70 -2 11 0 -0.30 0.40 -11 -2 0 -0.20 0.30 2 -11 0 0.10 0.30 -11 -2 0 -0.40 0.20 2 -11 0 0.60 0.60 2 -11 0 0.00 0.40 2 -11 0 0.20 0.40 -2 11 0 0.10 0.40 -11 -2 0 -0.40 0.20 -11 -2 0 0.10 0.30 1 -11 0 35.80 2.10 1 -11 0 35.40 1.50 -1 11 0 35.50 2.10 -1 11 0 33.80 2.10 -11 -1 0 34.60 1.60 1 -11 0 39.90 2.00 -11 -1 0 34.50 1.40 1 -11 0 33.10 2.10 0 11 0 1.50 0.60 0 11 0 1.00 0.50 -11 0 0 0.70 0.20 0 -11 0 0.30 0.40 0 -11 0 0.80 0.40 0 -11 0 2.00 0.70 0 -11 0 0.70 0.50 -11 1 0 93.09 2.50 -1 -11 0 97.89 3.60 -1 -11 0 97.49 3.70 -1 -11 0 92.09 3.60 -11 1 0 91.19 2.80 1 11 0 90.39 3.50 1 11 0 95.29 3.60 -1 -11 0 89.69 2.90 2 11 0 0.00 0.50 -11 2 0 0.20 0.20 2 11 0 0.30 0.50 -2 -11 0 0.50 0.50 -2 -11 0 -0.10 0.30 -2 -11 0 0.40 0.50 -11 2 0 0.60 0.30 -2 -11 0 0.60 0.60 -3 -11 0 125.69 4.50 3 11 0 117.89 4.20 3 11 0 121.69 4.20 -3 -11 0 125.29 3.70 -11 3 0 122.99 3.10 -3 -11 0 131.29 4.40 -3 -11 0 127.09 4.40 -4 -11 0 -0.10 0.40 -11 4 0 -0.10 0.20 4 11 0 -0.30 0.40 -4 -11 0 0.20 0.30 4 11 0 0.60 0.50 -4 -11 0 -0.40 0.40 -4 -11 0 -0.20 0.50 -11 5 0 21.10 0.90 -5 -11 0 21.40 1.70 -5 -11 0 22.50 1.60 -5 -11 0 22.80 1.30 5 11 0 21.40 1.50 5 11 0 23.70 1.60 -5 -11 0 22.30 1.60 -11 5 0 22.90 1.60 6 11 0 0.10 0.40 -11 6 0 0.50 0.60 -6 -11 0 -0.10 0.50 -6 -11 0 -0.20 0.40 -6 -11 0 0.40 0.50 -11 6 0 1.00 0.60 6 11 0 0.00 0.40 -6 -11 0 -0.60 0.40 -11 6 0 0.10 0.20 7 11 0 0.10 0.40 7 11 0 0.20 0.40 -11 7 0 0.50 0.30 -11 7 0 0.90 0.60 -7 -11 0 0.50 0.40 -7 -11 0 0.30 0.40 -11 7 0 0.30 0.70 -7 -11 0 0.20 0.50 -7 -11 0 0.70 0.70 -11 8 0 0.90 0.70 -8 -11 0 -0.10 0.40 -8 -11 0 0.30 0.50 -8 -11 0 1.00 0.70 -11 8 0 0.30 0.50 8 11 0 0.10 0.40 8 11 0 -0.20 0.40 -8 -11 0 -0.20 0.40 -9 -11 0 97.49 4.00 -9 -11 0 98.59 3.80 -11 9 0 99.79 4.30 -9 -11 0 100.99 3.40 9 11 0 95.39 3.50 -11 9 0 103.09 4.30 9 11 0 101.19 3.60 -9 -11 0 98.89 3.80 -10 -11 0 0.00 0.50 -10 -11 0 -0.10 0.40 -11 10 0 0.60 0.70 -10 -11 0 -0.30 0.40 -10 -11 0 0.00 0.70 -11 10 0 -0.60 0.40 10 11 0 0.50 0.40 11 -10 0 0.50 0.30 10 11 0 0.00 0.50 -11 -11 0 32.90 2.00 11 -11 0 33.90 1.40 -11 -11 0 31.00 2.00 11 11 0 39.70 2.00 -11 -11 0 36.50 2.30 11 11 0 34.00 1.90 -11 11 0 31.70 2.40 -11 11 0 32.60 2.50 -11 -11 0 33.40 1.80 11 -12 0 0.40 0.30 -12 -11 0 -0.30 0.40 -12 -11 0 0.20 0.50 -11 12 0 0.60 0.60 -12 -11 0 -0.50 0.40 -11 12 0 0.20 0.70 -12 -11 0 -0.20 0.60 -10 12 0 59.79 3.40 -10 12 0 55.29 3.30 -12 -10 0 53.99 2.60 -12 -10 0 59.69 2.50 10 -12 0 54.19 2.20 -12 -10 0 59.39 3.00 -12 -10 0 54.79 2.60 10 -12 0 56.59 2.10 9 -12 0 -0.50 0.30 -9 12 0 0.20 0.60 -12 -9 0 -0.10 0.40 -9 12 0 -0.50 0.50 -12 -9 0 -0.50 0.40 -12 -9 0 -0.40 0.60 9 -12 0 0.60 0.40 -12 -9 0 -0.60 0.40 -12 -8 0 87.49 3.60 8 -12 0 84.79 3.00 -12 -8 0 85.49 3.20 -12 -8 0 86.49 3.00 -8 12 0 90.09 4.10 -8 12 0 85.69 4.00 -12 -8 0 84.59 3.20 -12 -7 0 0.00 0.40 -7 12 0 0.30 0.60 -12 -7 0 0.10 0.40 -12 -7 0 0.00 0.40 -7 12 0 -0.80 0.50 7 -12 0 0.40 0.50 6 -12 0 54.79 1.50 -6 12 0 52.29 2.90 -12 -6 0 55.59 2.60 -6 12 0 62.19 3.10 -12 -6 0 54.79 2.30 -12 -6 0 58.29 2.30 6 -12 0 53.99 2.40 -12 -6 0 59.19 2.20 5 -12 0 -0.20 0.20 -12 -5 0 -0.40 0.30 -5 12 0 -0.70 0.40 -5 12 0 0.00 0.60 -12 -5 0 0.00 0.40 5 -12 0 -0.50 0.20 -12 -5 0 0.20 0.40 -12 -5 0 -0.20 0.30 -4 12 0 569.14 14.50 4 -12 0 546.55 13.70 -12 -4 0 556.94 13.50 -12 -4 0 534.85 13.20 4 -12 0 544.95 12.60 -12 -4 0 543.35 12.90 4 -12 0 547.65 12.80 -12 -4 0 533.35 13.20 -4 12 0 545.65 14.40 -3 12 0 0.20 0.60 -3 12 0 -0.30 0.50 -12 -3 0 0.10 0.40 -12 -3 0 -0.10 0.30 -12 -3 0 -0.40 0.30 -12 -3 0 0.20 0.30 3 -12 0 -0.10 0.50 3 -12 0 0.10 0.30 -12 -2 0 24.10 1.40 -12 -2 0 26.80 1.40 -12 -2 0 23.90 1.30 2 -12 0 23.90 1.20 -12 -2 0 22.20 1.10 2 -12 0 24.50 1.90 2 -12 0 21.90 1.60 2 -12 0 24.50 1.80 -2 12 0 22.90 1.80 -2 12 0 23.40 1.80 1 -12 0 0.30 0.50 1 -12 0 0.00 0.30 -12 -1 0 -0.10 0.30 -1 12 0 -0.30 0.50 -12 -1 0 0.20 0.40 -1 12 0 0.00 0.50 1 -12 0 0.20 0.60 1 -12 0 -0.10 0.50 -12 -1 0 0.00 0.20 -12 0 0 78.29 2.60 -12 0 0 71.99 2.30 0 -12 0 85.49 3.30 0 -12 0 77.29 2.60 0 -12 0 77.19 3.30 0 -12 0 73.19 3.40 0 12 0 77.79 3.30 0 12 0 78.99 3.40 -1 -12 0 0.80 0.40 -1 -12 0 0.00 0.60 -1 -12 0 -0.10 0.40 1 12 0 -0.40 0.50 -12 1 0 -0.10 0.30 1 12 0 0.10 0.50 -1 -12 0 0.90 0.70 -12 1 0 -0.30 0.20 -2 -12 0 344.87 9.60 -12 2 0 337.07 8.00 2 12 0 341.57 9.50 -2 -12 0 343.67 9.50 -2 -12 0 357.96 9.70 -12 2 0 350.56 8.30 -2 -12 0 340.57 8.70 2 12 0 352.46 9.50 -3 -12 0 -0.10 0.40 3 12 0 0.40 0.50 -3 -12 0 0.40 0.40 3 12 0 0.10 0.50 -12 3 0 0.00 0.20 -3 -12 0 0.70 0.60 -3 -12 0 0.40 0.60 -4 -12 0 3.90 0.90 -12 4 0 5.20 0.40 -4 -12 0 5.20 1.10 4 12 0 4.00 0.90 -4 -12 0 4.20 0.90 -4 -12 0 3.70 0.70 4 12 0 6.40 1.10 -5 -12 0 0.10 0.40 5 12 0 0.10 0.50 -5 -12 0 0.10 0.50 -12 5 0 0.40 0.50 5 12 0 0.20 0.50 -5 -12 0 -0.30 0.50 -12 5 0 0.10 0.20 -5 -12 0 0.20 0.50 -12 6 0 518.15 13.70 -12 6 0 508.85 11.90 -6 -12 0 527.75 13.50 -6 -12 0 521.05 13.70 6 12 0 524.55 13.20 -6 -12 0 515.45 12.70 -12 6 0 518.55 13.60 -6 -12 0 506.15 13.40 6 12 0 522.65 13.20 -12 7 0 0.00 0.30 -12 7 0 0.20 0.60 -7 -12 0 -0.40 0.50 7 12 0 0.40 0.50 -7 -12 0 -0.30 0.40 -12 7 0 -0.40 0.50 -7 -12 0 -0.40 0.50 7 12 0 0.40 0.40 -7 -12 0 -0.10 0.50 -8 -12 0 101.39 3.90 8 12 0 94.59 3.60 -12 8 0 95.99 4.20 8 12 0 104.99 3.80 -8 -12 0 96.29 4.10 -12 8 0 104.89 4.60 -8 -12 0 98.79 3.40 -8 -12 0 95.89 3.80 -9 -12 0 0.10 0.40 9 12 0 -0.20 0.40 -12 9 0 -0.30 0.60 9 12 0 0.10 0.40 -12 9 0 -0.20 0.70 -9 -12 0 0.50 0.50 -9 -12 0 0.60 0.80 -9 -12 0 -0.10 0.40 -10 -12 0 0.60 0.60 -10 -12 0 0.60 0.60 -10 -12 0 1.70 0.60 -12 10 0 1.10 0.70 10 12 0 0.30 0.50 -12 10 0 1.40 0.80 10 12 0 1.30 0.60 -10 -12 0 0.80 0.80 11 12 0 -0.20 0.40 11 12 0 0.70 0.40 -11 -12 0 -0.30 0.50 -11 -12 0 0.60 0.60 -12 11 0 0.10 0.60 -12 11 0 0.40 0.50 -11 -12 0 0.30 0.50 -11 -12 0 0.00 0.40 -12 -12 0 8.00 1.30 -12 -12 0 7.00 1.40 -12 -12 0 7.70 1.10 -12 -12 0 9.10 1.30 -12 12 0 4.50 1.20 -12 12 0 9.90 1.80 -13 -12 0 1.40 0.60 -13 -12 0 0.60 0.50 -13 -12 0 0.90 0.90 -12 13 0 1.30 0.80 -13 -11 0 14.70 1.90 -11 13 0 16.10 2.20 -13 -11 0 13.30 1.40 -13 -11 0 12.80 1.30 -13 -11 0 13.30 1.30 -11 13 0 11.30 1.80 11 -13 0 12.00 1.00 -13 -10 0 0.20 0.50 -13 -10 0 0.60 0.80 -13 -10 0 0.00 0.40 10 -13 0 -0.20 0.40 -13 -10 0 -0.30 0.40 -10 13 0 -0.20 0.60 10 -13 0 0.00 0.40 -10 13 0 0.90 0.70 9 -13 0 119.19 4.00 9 -13 0 127.79 3.90 -13 -9 0 126.99 4.30 -9 13 0 117.39 5.10 -13 -9 0 123.59 4.30 -9 13 0 125.79 5.30 -13 -9 0 122.99 4.00 -13 -9 0 121.19 4.70 -8 13 0 -0.60 0.60 8 -13 0 0.20 0.40 -8 13 0 -0.10 0.60 -13 -8 0 0.30 0.50 -13 -8 0 -0.20 0.50 -13 -8 0 0.60 0.60 -13 -8 0 -0.50 0.40 -13 -7 0 115.49 3.60 -13 -7 0 108.79 3.80 -13 -7 0 106.29 4.10 -7 13 0 118.69 4.80 -7 13 0 109.49 4.70 -13 -7 0 108.99 3.70 7 -13 0 106.89 3.70 6 -13 0 0.10 0.40 -6 13 0 -0.80 0.50 -13 -6 0 0.10 0.40 -13 -6 0 0.40 0.40 -6 13 0 0.10 0.60 6 -13 0 0.20 0.20 6 -13 0 0.20 0.20 -13 -6 0 0.10 0.40 -13 -5 0 22.80 1.60 -13 -5 0 22.60 1.30 -5 13 0 25.30 2.10 -13 -5 0 22.50 1.40 -13 -5 0 22.50 1.40 5 -13 0 21.20 1.00 -5 13 0 21.10 1.90 -13 -4 0 0.00 0.30 4 -13 0 -0.10 0.50 -4 13 0 -0.90 0.40 -13 -4 0 0.00 0.30 -13 -4 0 -0.20 0.30 4 -13 0 0.10 0.30 -4 13 0 -0.30 0.50 -13 -4 0 -0.10 0.40 4 -13 0 0.20 0.30 -3 13 0 8.00 1.70 3 -13 0 7.20 1.10 -13 -3 0 6.80 0.70 -13 -3 0 7.40 1.00 -13 -3 0 6.20 0.90 -13 -3 0 6.50 0.90 -3 13 0 6.30 1.20 3 -13 0 6.90 0.70 2 -13 0 -0.20 0.50 -13 -2 0 -0.50 0.30 -13 -2 0 0.00 0.30 -2 13 0 0.70 0.60 2 -13 0 0.70 0.50 -2 13 0 0.40 0.70 -13 -2 0 -0.20 0.30 -13 -2 0 0.30 0.40 2 -13 0 0.20 0.30 1 -13 0 135.39 5.10 -13 -1 0 125.09 4.10 -13 -1 0 137.29 4.20 -13 -1 0 130.49 3.60 -1 13 0 134.39 4.90 1 -13 0 131.19 4.90 1 -13 0 136.49 4.70 -1 13 0 132.19 4.90 -13 -1 0 137.79 4.10 1 -13 0 139.29 3.90 -13 0 0 0.00 0.30 0 -13 0 -0.10 0.40 -13 0 0 0.60 0.40 0 -13 0 0.60 0.50 0 -13 0 0.00 0.60 0 13 0 0.10 0.60 0 13 0 -0.20 0.50 0 -13 0 0.40 0.60 -1 -13 0 228.78 6.10 1 13 0 220.18 7.00 -13 1 0 225.68 5.90 1 13 0 231.08 7.00 -1 -13 0 228.58 7.20 -1 -13 0 226.58 7.00 -13 1 0 226.18 5.90 -1 -13 0 223.58 7.10 2 13 0 0.30 0.60 -2 -13 0 0.50 0.60 -2 -13 0 -0.20 0.30 -13 2 0 0.20 0.20 -13 2 0 -0.20 0.30 2 13 0 -0.40 0.50 -2 -13 0 -0.10 0.40 -13 3 0 13.10 0.70 3 13 0 11.50 1.40 -3 -13 0 14.70 1.70 -3 -13 0 14.30 1.50 -3 -13 0 14.00 1.50 -3 -13 0 15.10 1.10 3 13 0 13.10 1.60 -4 -13 0 -0.40 0.40 -4 -13 0 0.90 0.70 -4 -13 0 0.80 0.60 4 13 0 0.00 0.40 -4 -13 0 0.00 0.60 -13 4 0 -0.10 0.20 4 13 0 0.00 0.40 -5 -13 0 120.39 4.60 -5 -13 0 123.49 4.50 5 13 0 120.49 4.30 5 13 0 114.59 4.20 -13 5 0 114.59 4.30 -5 -13 0 110.89 4.40 -13 5 0 112.79 3.10 -6 -13 0 0.50 0.50 -13 6 0 0.20 0.60 -13 6 0 0.00 0.40 6 13 0 0.20 0.40 -6 -13 0 -0.40 0.40 -13 6 0 0.00 0.30 6 13 0 0.20 0.50 -6 -13 0 -0.20 0.50 -6 -13 0 0.90 0.70 7 13 0 358.06 9.80 -7 -13 0 353.66 10.00 -7 -13 0 358.26 10.00 -13 7 0 365.46 10.40 -13 7 0 347.97 8.50 -13 7 0 349.67 11.30 7 13 0 360.46 9.70 -7 -13 0 351.56 9.30 -7 -13 0 360.16 10.30 8 13 0 0.20 0.40 -8 -13 0 0.20 0.40 8 13 0 0.10 0.40 -13 8 0 0.40 0.70 -13 8 0 0.30 0.50 -8 -13 0 0.00 0.50 -8 -13 0 -0.60 0.40 -8 -13 0 0.60 0.60 -9 -13 0 160.08 5.50 -13 9 0 149.79 5.80 -13 9 0 150.78 5.80 -9 -13 0 163.88 5.90 9 13 0 158.98 5.20 9 13 0 154.58 5.10 -9 -13 0 157.78 4.90 -9 -13 0 148.39 5.30 -10 -13 0 1.40 0.90 10 13 0 0.40 0.40 -10 -13 0 -0.50 0.40 -13 10 0 -0.10 0.60 10 13 0 -0.10 0.40 -10 -13 0 0.90 0.50 -10 -13 0 0.30 0.60 -13 10 0 -0.20 0.60 -13 11 0 12.40 2.00 -11 -13 0 14.00 1.90 11 13 0 12.80 1.30 -13 11 0 10.90 1.70 -11 -13 0 11.60 1.50 -11 -13 0 10.50 1.50 -11 -13 0 12.40 1.20 -13 12 0 -1.20 0.60 12 13 0 0.30 0.50 -12 -13 0 -0.20 0.60 -13 12 0 0.90 0.70 -12 -13 0 0.30 0.40 -12 -13 0 -0.20 0.70 -12 -13 0 0.10 0.50 -13 -13 0 35.80 2.10 -13 -13 0 31.40 2.20 -13 -13 0 37.10 2.70 -13 -13 0 34.60 2.20 -13 13 0 41.60 3.00 -14 -12 0 9.40 1.40 -12 14 0 11.30 2.00 -14 -12 0 8.30 1.50 -14 -12 0 11.00 1.50 -14 -12 0 9.50 1.30 12 -14 0 9.50 0.80 -12 14 0 9.70 1.60 -14 -11 0 0.30 0.50 -14 -11 0 0.40 0.50 11 -14 0 -0.60 0.40 -11 14 0 0.40 0.80 -14 -11 0 0.40 0.60 -11 14 0 0.30 0.70 -14 -11 0 0.40 0.60 -14 -10 0 42.50 2.10 -14 -10 0 46.50 2.40 -10 14 0 49.99 3.20 -10 14 0 45.20 3.10 -14 -10 0 43.60 2.40 -14 -10 0 45.70 2.70 10 -14 0 42.50 2.00 -9 14 0 0.50 0.70 -14 -9 0 -0.70 0.40 -14 -9 0 0.70 0.40 9 -14 0 -0.50 0.40 -9 14 0 0.90 0.80 -14 -9 0 0.00 0.40 -14 -9 0 -0.20 0.50 -8 14 0 5.30 1.30 -14 -8 0 5.10 1.00 -14 -8 0 6.40 1.00 -8 14 0 7.10 1.50 -14 -8 0 6.30 1.00 -14 -8 0 5.50 0.80 8 -14 0 5.00 0.90 7 -14 0 0.00 0.40 -7 14 0 -0.10 0.80 -14 -7 0 -0.10 0.40 -7 14 0 -0.50 0.50 -14 -7 0 0.10 0.50 -14 -7 0 0.40 0.40 -14 -6 0 13.80 1.10 -14 -6 0 15.30 1.20 -14 -6 0 12.90 1.40 6 -14 0 14.90 0.70 -6 14 0 18.30 1.90 6 -14 0 15.90 0.60 6 -14 0 15.60 1.30 -6 14 0 13.30 1.70 -5 14 0 1.50 0.80 5 -14 0 0.10 0.30 -5 14 0 1.20 0.70 -14 -5 0 0.00 0.50 -14 -5 0 0.00 0.40 -14 -5 0 0.40 0.40 5 -14 0 0.60 0.30 5 -14 0 0.10 0.30 -14 -5 0 -0.10 0.30 -4 14 0 27.50 2.20 -14 -4 0 27.20 1.30 4 -14 0 22.70 1.30 4 -14 0 22.90 1.10 -14 -4 0 21.90 1.60 -14 -4 0 23.40 1.40 -14 -4 0 22.30 1.40 -4 14 0 22.70 2.00 4 -14 0 24.70 1.70 -14 -3 0 0.30 0.30 -14 -3 0 -0.30 0.40 3 -14 0 0.00 0.30 3 -14 0 0.10 0.50 -3 14 0 -0.20 0.60 -14 -3 0 -0.10 0.30 -3 14 0 0.60 0.60 -14 -3 0 0.30 0.30 2 -14 0 61.49 2.20 -2 14 0 65.49 3.30 2 -14 0 60.89 2.90 -14 -2 0 59.89 2.50 -14 -2 0 63.09 2.50 2 -14 0 61.19 3.20 -14 -2 0 63.19 2.10 -2 14 0 60.09 3.20 -1 14 0 -0.50 0.60 1 -14 0 0.00 0.60 -14 -1 0 -0.10 0.30 1 -14 0 0.30 0.50 1 -14 0 -0.20 0.50 -1 14 0 -0.80 0.60 -14 -1 0 0.40 0.30 1 -14 0 -0.10 0.30 -14 -1 0 -0.20 0.40 0 -14 0 251.67 6.50 0 -14 0 247.88 7.50 0 14 0 242.78 7.60 -14 0 0 247.08 6.10 0 -14 0 239.48 7.70 -14 0 0 253.17 6.60 0 -14 0 243.38 7.90 0 14 0 246.68 7.70 -1 -14 0 0.70 0.60 1 14 0 0.50 0.60 -1 -14 0 -0.30 0.50 -14 1 0 0.30 0.40 1 14 0 0.60 0.60 -1 -14 0 0.50 0.60 -14 1 0 0.20 0.30 -1 -14 0 0.40 0.40 -14 2 0 36.70 1.90 -2 -14 0 40.20 1.80 -14 2 0 38.50 1.50 -2 -14 0 37.80 2.30 -2 -14 0 33.20 2.30 2 14 0 34.80 2.30 2 14 0 36.90 2.90 -2 -14 0 39.40 2.50 -3 -14 0 -0.40 0.50 3 14 0 -0.10 0.50 -3 -14 0 -0.10 0.50 -3 -14 0 -0.30 0.40 -14 3 0 -0.30 0.20 -3 -14 0 -0.90 0.40 -4 -14 0 499.85 13.50 4 14 0 497.55 13.20 -14 4 0 492.35 11.60 -4 -14 0 518.45 13.60 -4 -14 0 510.85 12.50 -4 -14 0 493.25 13.50 -14 5 0 0.10 0.50 -5 -14 0 0.80 0.60 5 14 0 0.20 0.40 -5 -14 0 -0.40 0.60 -14 5 0 -0.20 0.30 -14 5 0 0.00 0.50 -5 -14 0 0.30 0.50 -5 -14 0 -0.30 0.50 -14 6 0 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0 -0.40 0.40 -16 -5 0 -0.30 0.50 5 -16 0 0.00 0.30 -5 16 0 0.10 0.60 -16 -5 0 0.50 0.30 -16 -5 0 1.00 0.50 -5 16 0 1.00 0.80 -4 16 0 1.90 1.00 -16 -4 0 2.20 0.70 -4 16 0 2.10 0.90 4 -16 0 1.50 0.60 -16 -4 0 1.80 0.50 4 -16 0 0.60 0.50 -16 -4 0 0.90 0.50 4 -16 0 1.30 0.40 -16 -4 0 1.60 0.50 3 -16 0 0.20 0.30 3 -16 0 -0.60 0.50 -3 16 0 -0.10 0.60 -16 -3 0 -0.30 0.30 -3 16 0 -0.30 0.60 -16 -3 0 0.10 0.30 -16 -3 0 1.00 0.50 -16 -3 0 0.40 0.50 2 -16 0 72.09 3.50 -2 16 0 74.99 3.80 -16 -2 0 76.79 3.00 2 -16 0 72.79 2.60 -2 16 0 75.49 3.80 -16 -2 0 76.99 2.60 -16 -2 0 75.69 3.00 -16 -2 0 74.09 3.00 1 -16 0 -0.20 0.30 1 -16 0 -0.30 0.60 -16 -1 0 0.00 0.40 -1 16 0 -0.30 0.60 -1 16 0 0.10 0.60 -16 -1 0 -0.10 0.40 -16 -1 0 0.00 0.30 -16 -1 0 -0.30 0.30 0 -16 0 54.99 2.90 0 16 0 55.39 3.10 -16 0 0 48.00 2.40 -16 0 0 51.59 1.90 -16 0 0 53.89 2.40 0 -16 0 47.30 3.10 0 16 0 53.29 3.10 -16 0 0 48.60 2.10 0 -16 0 54.19 3.10 -16 1 0 0.70 0.30 -16 1 0 0.50 0.30 -1 -16 0 -0.40 0.60 1 16 0 -0.90 0.50 1 16 0 0.40 0.70 -1 -16 0 0.30 0.40 -1 -16 0 1.50 0.60 -1 -16 0 0.80 0.70 -16 2 0 13.70 0.90 -2 -16 0 10.80 1.60 -2 -16 0 15.10 1.20 -2 -16 0 15.70 1.70 2 16 0 17.60 1.80 2 16 0 18.10 2.30 -2 -16 0 17.30 2.10 -3 -16 0 0.80 0.70 -16 3 0 0.40 0.30 3 16 0 0.50 0.60 -3 -16 0 -0.40 0.50 -3 -16 0 0.40 0.60 3 16 0 0.70 0.70 -3 -16 0 0.10 0.40 -16 4 0 139.39 5.10 -4 -16 0 136.99 5.50 -4 -16 0 141.49 4.50 4 16 0 135.69 5.20 -16 4 0 134.29 3.90 4 16 0 130.59 5.10 -4 -16 0 144.39 5.50 -4 -16 0 140.89 5.50 -16 5 0 -0.50 0.20 5 16 0 0.80 0.50 -16 5 0 0.00 0.50 -16 5 0 0.10 0.60 -5 -16 0 0.20 0.40 -5 -16 0 -0.40 0.70 -5 -16 0 0.00 0.60 5 16 0 0.40 0.60 -5 -16 0 -0.40 0.70 -6 -16 0 57.19 3.20 6 16 0 62.09 3.10 -16 6 0 60.39 3.30 -6 -16 0 57.79 3.30 -6 -16 0 55.69 3.20 -6 -16 0 60.39 2.70 6 16 0 60.09 3.10 -16 6 0 59.79 3.20 -16 6 0 58.79 2.00 -7 -16 0 -0.20 0.70 -7 -16 0 0.20 0.70 7 16 0 0.10 0.40 -7 -16 0 0.40 0.60 -16 7 0 0.70 0.70 -7 -16 0 0.20 0.40 -16 7 0 0.60 0.70 7 16 0 0.50 0.50 -8 -16 0 21.50 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3.10 -9 -2 -11 53.49 3.20 2 -9 11 50.79 3.20 -9 -2 11 54.29 3.70 -1 9 -11 8.40 1.40 -9 -1 -11 9.30 1.50 -1 9 -11 8.00 1.50 -1 9 -11 9.50 1.50 1 -9 -11 12.40 2.10 -9 -1 11 8.90 1.80 1 -9 11 7.60 1.60 -9 -1 11 7.50 2.00 -1 9 11 9.20 1.30 0 -9 -11 -0.20 0.90 0 9 -11 -1.00 0.70 0 9 -11 0.40 0.60 0 9 -11 -0.10 0.50 -9 0 -11 0.10 0.60 0 -9 11 0.60 0.50 0 9 11 1.00 0.50 -9 0 11 -1.30 1.00 -9 0 11 0.20 0.90 0 9 11 0.70 0.50 -9 1 -11 1.00 0.70 1 9 -11 2.60 1.00 -1 -9 -11 3.50 1.30 1 9 11 2.30 0.60 -9 1 11 3.40 1.30 1 9 11 2.00 0.80 -9 1 11 3.20 1.30 1 9 11 1.30 0.60 -1 -9 11 0.90 0.70 -1 -9 11 1.80 1.10 1 9 11 2.60 0.90 2 9 -11 1.00 0.90 -9 2 -11 0.10 0.50 2 9 -11 -0.20 0.60 -2 -9 -11 0.90 0.90 -2 -9 11 0.40 0.50 2 9 11 1.40 0.70 2 9 11 0.60 0.60 -2 -9 11 0.50 0.70 2 9 11 0.80 0.50 2 9 11 1.00 0.60 -3 -9 -11 3.80 1.40 3 9 -11 5.30 1.30 -9 3 -11 4.20 0.90 3 9 11 4.70 0.90 9 -3 11 3.40 0.70 -9 3 11 3.80 1.20 -3 -9 11 3.30 1.30 9 -3 11 3.60 0.80 3 9 11 2.70 0.60 -3 -9 11 1.20 0.70 3 9 11 2.70 0.70 3 9 11 4.30 0.80 -4 -9 -11 16.20 2.40 -9 4 -11 13.30 1.40 4 9 -11 12.40 2.00 4 9 11 11.00 1.00 -4 -9 11 12.00 2.10 4 9 11 11.10 1.10 4 9 11 12.40 1.10 9 -4 11 11.80 1.20 -4 -9 11 15.70 1.50 9 -4 11 10.00 1.40 4 9 11 11.60 1.00 0 0 -12 24.80 2.30 0 0 12 19.00 1.80 0 0 12 23.50 1.70 0 -1 -12 15.30 2.20 0 1 -12 16.30 2.00 -1 0 -12 15.00 3.10 1 0 -12 16.80 2.20 0 -1 12 17.60 1.60 0 1 12 15.90 1.40 -1 0 12 18.70 2.00 1 0 12 16.80 1.50 0 -1 12 17.00 1.50 -1 0 12 16.20 1.50 1 0 12 17.40 1.60 0 1 12 18.90 1.50 -1 -1 -12 14.50 2.10 -1 1 -12 15.70 2.20 1 -1 -12 12.70 2.10 1 1 -12 11.90 1.90 1 1 12 14.20 1.30 -1 1 12 14.70 1.30 -1 -1 12 15.20 1.50 1 -1 12 11.50 1.50 1 -1 12 15.50 1.50 1 1 12 14.00 1.30 -1 1 12 16.10 1.50 -1 -1 12 12.20 1.70 1 -2 -12 4.90 1.40 -1 2 -12 4.20 1.10 2 1 -12 6.90 1.50 -2 -1 -12 5.90 1.40 1 -2 12 7.20 1.30 2 1 12 5.60 1.00 -1 2 12 5.90 1.10 2 1 12 6.70 1.10 -2 -1 12 5.80 0.90 -1 2 12 6.60 1.10 -2 -1 12 5.20 1.20 0 -2 -12 1.40 1.00 0 2 -12 0.60 0.90 -2 0 -12 -0.10 0.80 2 0 -12 2.70 1.10 -2 0 12 2.60 0.80 -2 0 12 0.90 0.40 0 2 12 1.50 0.60 2 0 12 1.30 0.60 0 -2 12 1.90 0.80 2 0 12 2.00 0.70 0 2 12 2.20 0.60 -1 -2 -12 14.80 2.20 1 2 -12 18.70 2.30 2 -1 -12 15.40 2.10 -2 1 -12 17.80 2.20 -1 -2 12 14.80 2.10 2 -1 12 14.50 1.50 -2 1 12 15.40 1.60 2 -1 12 15.60 1.50 1 2 12 17.70 1.40 -2 1 12 16.20 1.50 1 2 12 19.50 1.50 -1 -2 12 18.10 1.60 -1 -2 12 19.10 1.70 -2 2 -12 -0.30 0.80 -2 -2 -12 0.30 0.80 2 2 -12 0.80 0.90 2 -2 -12 0.30 0.80 -2 2 12 1.50 0.60 2 -2 12 -0.20 0.50 -2 2 12 2.70 0.70 -2 -2 12 2.00 0.60 2 2 12 0.60 0.40 2 -2 12 0.50 0.70 -2 -2 12 0.70 0.90 -2 3 -12 0.70 0.70 -3 -2 -12 1.70 0.90 2 -3 -12 0.20 0.80 3 2 -12 0.90 0.90 3 2 12 0.60 0.50 -3 -2 12 1.40 0.90 -2 3 12 1.00 0.50 2 -3 12 1.20 0.60 -3 -2 12 2.80 1.00 -2 3 12 0.60 0.50 3 2 12 -0.10 0.40 1 -3 -12 24.60 2.40 -1 3 -12 24.00 2.20 3 1 -12 22.30 2.20 -3 -1 -12 23.90 2.20 -1 3 12 23.60 1.90 -3 -1 12 24.20 1.90 -3 -1 12 22.10 2.20 3 1 12 22.90 1.70 3 1 12 21.60 1.60 -1 3 12 23.60 1.80 1 -3 12 22.90 2.30 1 -3 12 22.70 1.90 3 0 -12 3.30 1.00 0 -3 -12 6.10 1.50 0 3 -12 3.80 1.40 -3 0 -12 1.70 0.90 0 -3 12 4.60 1.00 3 0 12 5.90 1.10 3 0 12 5.00 1.00 0 -3 12 4.50 1.30 0 3 12 5.00 0.90 0 -3 12 5.50 1.20 -3 0 12 4.90 1.00 0 3 12 5.30 0.90 -3 1 -12 0.70 0.70 -1 -3 -12 1.60 1.00 3 -1 -12 3.80 1.20 1 3 -12 2.50 1.20 3 -1 12 2.50 0.90 3 -1 12 1.40 0.70 -3 1 12 1.60 0.70 1 3 12 2.90 0.60 1 3 12 3.00 0.70 -1 -3 12 2.40 1.00 -1 -3 12 1.60 0.70 -1 -3 12 2.10 0.70 2 3 -12 2.80 1.00 -2 -3 -12 4.40 1.20 3 -2 -12 5.20 1.30 -3 2 -12 3.00 1.00 -3 2 12 2.60 0.80 -2 -3 12 2.40 0.70 3 -2 12 2.90 0.90 -3 2 12 2.90 0.80 3 -2 12 3.50 0.90 2 3 12 3.10 0.60 -2 -3 12 1.60 1.00 2 3 12 3.80 0.80 -3 3 -12 1.70 0.90 3 3 -12 3.80 1.20 -3 -3 -12 0.60 1.00 -3 3 12 2.00 0.70 -3 -3 12 2.40 1.10 3 -3 12 1.90 0.80 3 3 12 2.40 0.60 3 -3 12 2.10 0.90 -3 -3 12 2.70 0.80 -3 3 12 4.30 1.50 3 3 12 3.90 0.70 -3 4 -12 16.40 2.10 -4 -3 -12 17.50 2.20 4 3 -12 18.20 2.40 3 -4 -12 18.00 2.40 3 -4 12 15.20 1.70 4 3 12 15.60 1.30 4 3 12 18.70 1.40 -3 4 12 18.90 1.70 -4 -3 12 17.80 2.50 -4 -3 12 17.60 1.70 3 -4 12 16.10 2.20 2 -4 -12 4.80 1.40 4 2 -12 3.40 1.10 -2 4 -12 5.80 1.30 -4 -2 -12 6.30 1.40 -2 4 12 5.90 1.10 2 -4 12 3.40 1.00 -4 -2 12 3.60 1.30 4 2 12 4.30 1.40 -4 -2 12 2.90 1.00 -2 4 12 5.20 1.00 4 2 12 4.40 0.90 1 -4 -12 2.10 1.00 -4 -1 -12 0.80 0.80 4 1 -12 0.50 0.80 -1 4 -12 1.70 0.80 4 1 12 0.70 0.60 1 -4 12 0.90 0.90 -1 4 12 2.00 0.70 1 -4 12 0.90 0.70 1 -4 12 0.00 0.70 4 1 12 0.80 0.60 -1 4 12 1.70 0.60 -4 -1 12 0.90 0.90 0 -4 -12 9.50 1.70 -4 0 -12 11.90 1.80 4 0 -12 12.90 1.90 0 -4 12 10.50 1.70 0 4 12 12.40 1.20 4 0 12 12.30 1.50 4 0 12 10.00 1.30 0 -4 12 10.20 1.50 0 -4 12 9.80 1.80 0 4 12 10.90 1.20 -4 1 -12 0.30 0.70 1 4 -12 0.40 0.90 -1 -4 -12 0.40 0.90 4 -1 12 0.10 0.50 -1 -4 12 0.50 0.70 4 -1 12 -0.40 0.60 -1 -4 12 0.10 0.90 1 4 12 0.50 0.40 1 4 12 0.20 0.30 -2 -4 -12 2.30 1.10 2 4 -12 0.60 0.80 4 -2 -12 0.30 0.80 -4 2 -12 -0.80 0.60 4 -2 12 -0.40 0.50 -4 2 12 2.10 1.20 -2 -4 12 1.20 0.80 4 -2 12 -0.30 0.60 2 4 12 1.50 0.50 2 4 12 2.00 0.50 -4 3 -12 7.50 1.40 -3 -4 -12 7.20 1.60 4 -3 -12 5.10 1.30 3 4 -12 5.10 1.20 -3 -4 12 5.00 1.40 3 4 12 6.70 1.00 4 -3 12 5.50 1.20 4 -3 12 5.80 1.20 3 4 12 6.90 1.00 -3 -4 12 3.90 1.00 4 -4 -12 16.30 2.30 -4 -4 -12 16.60 2.20 4 4 -12 12.70 1.90 -4 4 -12 13.50 1.80 4 4 12 16.70 1.30 -4 -4 12 16.20 1.60 4 -4 12 14.80 1.60 -4 -4 12 14.00 2.20 4 -4 12 14.20 1.70 -4 5 -12 1.80 0.90 -5 -4 -12 0.50 0.90 5 4 -12 1.60 1.10 5 4 12 0.10 0.40 5 4 12 0.00 0.50 4 -5 12 -0.80 0.60 -5 -4 12 0.30 0.70 4 -5 12 0.30 0.60 -5 -3 -12 7.70 1.60 5 3 -12 6.80 1.50 3 -5 -12 7.90 1.70 -3 5 -12 8.10 1.50 5 3 12 4.60 0.80 -3 5 12 5.90 1.20 3 -5 12 5.80 1.40 5 3 12 6.50 1.00 3 -5 12 6.70 1.30 -5 -3 12 9.50 1.50 5 2 -12 6.80 1.60 2 -5 -12 10.50 1.80 -2 5 -12 6.70 1.40 -5 -2 -12 7.60 1.60 2 -5 12 8.80 1.70 -5 -2 12 9.30 1.50 5 2 12 8.40 1.10 -2 5 12 10.40 1.50 2 -5 12 9.10 1.60 -2 5 12 7.90 1.20 -5 -2 12 6.10 1.60 2 -5 12 11.50 1.70 5 2 12 7.50 1.00 -1 5 -12 18.60 2.20 5 1 -12 16.20 2.30 -5 -1 -12 17.00 2.10 1 -5 -12 13.80 2.00 5 1 12 17.00 1.40 -5 -1 12 17.60 2.50 -1 5 12 13.40 1.40 -1 5 12 15.30 1.50 -5 -1 12 14.30 1.70 1 -5 12 17.60 2.10 0 -5 -12 31.50 2.80 0 5 -12 33.90 2.70 5 0 -12 36.00 2.70 -5 0 -12 32.30 2.50 0 5 12 33.50 2.00 5 0 12 30.90 2.10 0 -5 12 31.30 2.70 -5 0 12 33.00 2.80 0 5 12 31.40 2.00 0 -5 12 26.30 2.20 5 0 12 28.30 1.80 5 -1 -12 0.60 0.80 -1 -5 -12 0.90 1.00 -5 1 -12 1.50 0.90 1 5 -12 3.20 1.10 5 -1 12 1.10 0.70 -1 -5 12 -0.10 0.80 1 5 12 2.00 0.60 5 -1 12 0.70 0.60 1 5 12 1.00 0.50 -2 -5 -12 1.00 1.10 -5 2 -12 1.00 0.70 2 5 -12 -0.90 0.70 5 -2 -12 1.40 0.80 5 -2 12 -0.40 0.60 -2 -5 12 0.00 0.80 -2 -5 12 0.50 0.60 2 5 12 1.70 0.50 5 -2 12 1.30 0.60 2 5 12 1.70 0.60 -5 3 -12 26.70 2.20 3 5 -12 23.40 2.20 -3 -5 -12 24.30 2.90 5 -3 -12 23.70 4.20 5 -3 12 24.40 1.80 5 -3 12 22.60 1.80 3 5 12 25.10 1.50 -3 -5 12 22.60 2.40 3 5 12 23.80 1.50 -3 -5 12 26.50 1.90 -5 4 -12 0.00 0.70 -4 -5 -12 0.20 0.80 4 5 -12 0.00 0.70 -4 -5 12 0.10 0.90 4 5 12 0.80 0.50 -4 -5 12 -0.10 0.60 5 -4 12 0.70 0.60 5 -4 12 -0.20 0.60 4 5 12 0.80 0.40 -3 6 -12 5.80 1.40 -6 -3 -12 7.10 1.50 3 -6 -12 4.80 2.50 6 3 -12 6.60 1.50 3 -6 12 4.50 1.40 -6 -3 12 6.30 1.40 3 -6 12 7.50 1.30 -3 6 12 5.60 1.20 -6 -3 12 8.30 1.80 3 -6 12 3.90 1.20 6 3 12 6.00 0.70 6 2 -12 34.80 2.70 -2 6 -12 37.70 2.70 -6 -2 -12 32.50 2.70 2 -6 -12 38.10 3.00 2 -6 12 32.10 2.60 -2 6 12 34.10 2.20 6 2 12 31.30 1.50 6 2 12 32.60 1.60 2 -6 12 37.10 2.70 -6 -2 12 35.90 2.40 -2 6 12 39.30 2.40 -6 -2 12 37.50 3.10 1 -6 -12 0.70 1.30 6 1 -12 2.10 1.00 -1 6 -12 1.40 0.90 -6 -1 -12 0.90 0.70 6 1 12 0.70 0.40 -6 -1 12 0.20 0.60 1 -6 12 1.40 1.00 6 1 12 -0.30 0.40 -1 6 12 0.50 0.60 -1 6 12 -0.20 0.50 -6 -1 12 0.10 0.90 0 -6 -12 10.90 2.00 0 6 -12 7.60 1.60 -6 0 -12 10.20 1.70 6 0 -12 11.00 2.50 6 0 12 8.30 1.10 6 0 12 8.50 1.10 -6 0 12 5.60 1.60 0 6 12 10.30 1.30 -6 0 12 8.30 1.40 0 6 12 8.80 1.20 -1 -6 -12 9.70 1.70 -6 1 -12 11.70 1.70 1 6 -12 8.60 1.60 6 -1 12 8.90 1.10 1 6 12 13.40 1.20 1 6 12 11.00 1.40 -1 -6 12 11.20 2.00 -6 2 -12 25.40 2.20 -2 -6 -12 23.50 2.40 2 6 -12 21.80 2.20 -2 -6 12 26.60 1.90 6 -2 12 21.60 1.70 -2 -6 12 28.00 2.60 2 6 12 27.20 1.70 6 -2 12 24.90 1.80 2 6 12 26.30 1.70 -6 3 -12 33.10 2.40 3 6 -12 33.90 2.60 -3 -6 -12 29.30 2.80 6 -3 12 29.00 2.00 -3 -6 12 28.60 2.60 3 6 12 30.80 1.70 -3 -6 12 26.00 2.00 3 6 12 31.30 1.70 6 -3 12 32.00 2.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 56989 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y+1/2, z' '-y, x+1/2, z+1/2' 'y+1/2, -x, z+1/2' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'y, -x-1/2, -z-1/2' '-y-1/2, x, -z-1/2' 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 Al1 Al 0.250000 0.250000 0.750000 0.01251(16) Uani 1 4 d S T P A . O1 O 0.250000 0.250000 0.54501(12) 0.0170(3) Uani 1 2 d DS T P . . N1 N 0.30695(6) 0.37490(7) 0.75120(10) 0.0140(2) Uani 1 1 d . . . . . C1 C 0.40027(8) 0.39633(8) 0.74691(12) 0.0152(2) Uani 1 1 d . . . . . C2 C 0.41366(8) 0.49266(8) 0.76890(13) 0.0185(3) Uani 1 1 d . . . . . H2 H 0.471139 0.524137 0.771283 0.022 Uiso 1 1 calc R U . . . C3 C 0.32873(8) 0.53109(8) 0.78584(13) 0.0186(3) Uani 1 1 d . . . . . H3 H 0.315907 0.594177 0.803924 0.022 Uiso 1 1 calc R U . . . C4 C 0.26259(8) 0.45881(8) 0.77134(12) 0.0155(2) Uani 1 1 d . . . . . C5 C 0.16718(8) 0.47189(8) 0.77079(12) 0.0157(2) Uani 1 1 d . . . . . C6 C 0.13037(8) 0.56741(8) 0.78782(13) 0.0166(2) Uani 1 1 d . . . . . C7 C 0.08259(9) 0.59089(8) 0.90429(13) 0.0213(3) Uani 1 1 d . . . . . H7 H 0.073553 0.545866 0.972484 0.026 Uiso 1 1 calc R U . . . C8 C 0.04798(9) 0.67943(9) 0.92189(15) 0.0262(3) Uani 1 1 d . . . . . H8 H 0.014963 0.694503 1.001464 0.031 Uiso 1 1 calc R U . . . C9 C 0.06150(9) 0.74564(9) 0.82385(16) 0.0265(3) Uani 1 1 d . . . . . H9 H 0.038128 0.806298 0.836252 0.032 Uiso 1 1 calc R U . . . C10 C 0.10906(9) 0.72353(9) 0.70769(16) 0.0268(3) Uani 1 1 d . . . . . H10 H 0.118392 0.769019 0.640242 0.032 Uiso 1 1 calc R U . . . C11 C 0.14323(9) 0.63473(9) 0.68957(14) 0.0226(3) Uani 1 1 d . . . . . H11 H 0.175655 0.619822 0.609418 0.027 Uiso 1 1 calc R U . . . C12A C 0.28315(12) 0.17276(12) 0.46879(18) 0.0209(5) Uani 0.699(4) 1 d D U P A 1 H12A H 0.237784 0.159021 0.397080 0.025 Uiso 0.699(4) 1 calc R U P A 1 H12B H 0.285711 0.118354 0.528911 0.025 Uiso 0.699(4) 1 calc R U P A 1 C12B C 0.3323(3) 0.2601(3) 0.4554(4) 0.0197(10) Uiso 0.301(4) 1 d D U P A 2 H12C H 0.313447 0.298473 0.377699 0.024 Uiso 0.301(4) 1 calc R U P A 2 H12D H 0.379343 0.295755 0.505639 0.024 Uiso 0.301(4) 1 calc R U P A 2 C13 C 0.37404(11) 0.18457(13) 0.40635(16) 0.0394(4) Uani 1 1 d D U . . . H13A H 0.372366 0.237387 0.344824 0.059 Uiso 0.699(4) 1 calc R U P A 1 H13B H 0.390150 0.128665 0.356105 0.059 Uiso 0.699(4) 1 calc R U P A 1 H13C H 0.420349 0.195570 0.476367 0.059 Uiso 0.699(4) 1 calc R U P A 1 H13D H 0.332043 0.152586 0.344734 0.059 Uiso 0.301(4) 1 calc R U P A 2 H13E H 0.390453 0.143295 0.480668 0.059 Uiso 0.301(4) 1 calc R U P A 2 H13F H 0.430059 0.202672 0.357838 0.059 Uiso 0.301(4) 1 calc R U P A 2 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 Al1 0.0096(2) 0.0096(2) 0.0184(3) 0.000 0.000 0.000 O1 0.0173(6) 0.0146(5) 0.0191(6) 0.000 0.000 0.0008(4) N1 0.0112(4) 0.0111(4) 0.0196(5) 0.0002(3) -0.0008(3) 0.0002(3) C1 0.0132(5) 0.0139(5) 0.0185(6) 0.0007(4) -0.0010(4) -0.0013(4) C2 0.0148(5) 0.0137(5) 0.0271(6) -0.0006(4) -0.0010(4) -0.0026(4) C3 0.0165(5) 0.0115(5) 0.0279(6) -0.0012(4) -0.0005(5) -0.0013(4) C4 0.0151(5) 0.0117(5) 0.0195(6) 0.0006(4) 0.0000(4) -0.0001(4) C5 0.0150(5) 0.0117(5) 0.0203(6) 0.0002(4) 0.0006(4) 0.0009(4) C6 0.0121(5) 0.0118(5) 0.0259(6) -0.0014(4) -0.0011(4) -0.0001(4) C7 0.0210(6) 0.0176(6) 0.0252(6) -0.0012(5) 0.0014(5) -0.0006(4) C8 0.0243(6) 0.0213(6) 0.0328(7) -0.0091(5) 0.0042(5) 0.0022(5) C9 0.0207(6) 0.0133(5) 0.0456(8) -0.0058(5) -0.0016(6) 0.0028(5) C10 0.0248(6) 0.0154(6) 0.0402(8) 0.0058(5) 0.0002(6) 0.0019(5) C11 0.0210(6) 0.0179(6) 0.0289(7) 0.0023(5) 0.0037(5) 0.0026(5) C12A 0.0254(9) 0.0169(8) 0.0203(9) -0.0038(7) 0.0017(7) 0.0024(6) C13 0.0279(7) 0.0683(11) 0.0220(7) -0.0054(7) 0.0027(6) 0.0128(7) 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' Al Al 0.0645 0.0514 '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 N1 Al1 N1 90.002(1) 2 8_657 ? N1 Al1 N1 90.0 2 7_567 ? N1 Al1 N1 179.31(6) 8_657 7_567 ? N1 Al1 N1 179.31(6) 2 . ? N1 Al1 N1 90.002(1) 8_657 . ? N1 Al1 N1 90.002(1) 7_567 . ? N1 Al1 O1 90.34(3) 2 . ? N1 Al1 O1 89.66(3) 8_657 . ? N1 Al1 O1 89.66(3) 7_567 . ? N1 Al1 O1 90.34(3) . . ? N1 Al1 O1 89.66(3) 2 7_567 ? N1 Al1 O1 90.34(3) 8_657 7_567 ? N1 Al1 O1 90.34(3) 7_567 7_567 ? N1 Al1 O1 89.66(3) . 7_567 ? O1 Al1 O1 180.0 . 7_567 ? C12A O1 C12A 116.23(17) 2 . ? C12A O1 C12B 59.67(17) 2 2 ? C12A O1 C12B 82.87(18) . 2 ? C12B O1 C12B 106.9(3) 2 . ? C12A O1 Al1 121.89(9) 2 . ? C12A O1 Al1 121.89(9) . . ? C12B O1 Al1 126.55(16) 2 . ? C12B O1 Al1 126.55(16) . . ? C1 N1 C4 105.04(9) . . ? C1 N1 Al1 127.41(8) . . ? C4 N1 Al1 127.22(8) . . ? N1 C1 C5 125.44(10) . 7_567 ? N1 C1 C2 110.29(10) . . ? C5 C1 C2 124.23(11) 7_567 . ? C3 C2 C1 107.25(10) . . ? C3 C2 H2 126.4 . . ? C1 C2 H2 126.4 . . ? C2 C3 C4 107.12(10) . . ? C2 C3 H3 126.4 . . ? C4 C3 H3 126.4 . . ? N1 C4 C5 125.21(10) . . ? N1 C4 C3 110.24(10) . . ? C5 C4 C3 124.47(11) . . ? C4 C5 C1 123.48(11) . 8_657 ? C4 C5 C6 118.65(10) . . ? C1 C5 C6 117.86(10) 8_657 . ? C7 C6 C11 118.62(11) . . ? C7 C6 C5 119.92(11) . . ? C11 C6 C5 121.46(11) . . ? C8 C7 C6 120.70(12) . . ? C8 C7 H7 119.7 . . ? C6 C7 H7 119.7 . . ? C9 C8 C7 120.10(13) . . ? C9 C8 H8 120.0 . . ? C7 C8 H8 120.0 . . ? C8 C9 C10 119.94(12) . . ? C8 C9 H9 120.0 . . ? C10 C9 H9 120.0 . . ? C9 C10 C11 120.01(13) . . ? C9 C10 H10 120.0 . . ? C11 C10 H10 120.0 . . ? C10 C11 C6 120.63(12) . . ? C10 C11 H11 119.7 . . ? C6 C11 H11 119.7 . . ? O1 C12A C13 115.68(14) . . ? O1 C12A H12A 108.4 . . ? C13 C12A H12A 108.4 . . ? O1 C12A H12B 108.4 . . ? C13 C12A H12B 108.4 . . ? H12A C12A H12B 107.4 . . ? C13 C12B O1 119.7(3) . . ? C13 C12B H12C 107.4 . . ? O1 C12B H12C 107.4 . . ? C13 C12B H12D 107.4 . . ? O1 C12B H12D 107.4 . . ? H12C C12B H12D 106.9 . . ? C12A C13 H13A 109.5 . . ? C12A C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C12A C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C12B C13 H13D 109.5 . . ? C12B C13 H13E 109.5 . . ? H13D C13 H13E 109.5 . . ? C12B C13 H13F 109.5 . . ? H13D C13 H13F 109.5 . . ? H13E C13 H13F 109.5 . . ? 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 Al1 N1 1.9892(10) 2 ? Al1 N1 1.9892(10) 8_657 ? Al1 N1 1.9892(10) 7_567 ? Al1 N1 1.9893(10) . ? Al1 O1 2.0381(12) . ? Al1 O1 2.0381(12) 7_567 ? O1 C12A 1.4345(18) 2 ? O1 C12A 1.4345(18) . ? O1 C12B 1.496(4) 2 ? O1 C12B 1.496(4) . ? N1 C1 1.3880(14) . ? N1 C4 1.3898(14) . ? C1 C5 1.3982(16) 7_567 ? C1 C2 1.4262(16) . ? C2 C3 1.3612(17) . ? C2 H2 0.9500 . ? C3 C4 1.4271(15) . ? C3 H3 0.9500 . ? C4 C5 1.3955(16) . ? C5 C6 1.4929(15) . ? C6 C7 1.3914(17) . ? C6 C11 1.3930(17) . ? C7 C8 1.3887(17) . ? C7 H7 0.9500 . ? C8 C9 1.382(2) . ? C8 H8 0.9500 . ? C9 C10 1.383(2) . ? C9 H9 0.9500 . ? C10 C11 1.3906(17) . ? C10 H10 0.9500 . ? C11 H11 0.9500 . ? C12A C13 1.466(2) . ? C12A H12A 0.9900 . ? C12A H12B 0.9900 . ? C12B C13 1.342(4) . ? C12B H12C 0.9900 . ? C12B H12D 0.9900 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C13 H13D 0.9800 . ? C13 H13E 0.9800 . ? C13 H13F 0.9800 . ? 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 C4 N1 C1 C5 179.52(11) . . . 7_567 ? Al1 N1 C1 C5 5.85(17) . . . 7_567 ? C4 N1 C1 C2 1.97(13) . . . . ? Al1 N1 C1 C2 -171.71(8) . . . . ? N1 C1 C2 C3 -0.43(14) . . . . ? C5 C1 C2 C3 -178.02(12) 7_567 . . . ? C1 C2 C3 C4 -1.27(14) . . . . ? C1 N1 C4 C5 174.23(11) . . . . ? Al1 N1 C4 C5 -12.09(17) . . . . ? C1 N1 C4 C3 -2.76(13) . . . . ? Al1 N1 C4 C3 170.93(8) . . . . ? C2 C3 C4 N1 2.58(14) . . . . ? C2 C3 C4 C5 -174.44(12) . . . . ? N1 C4 C5 C1 1.79(19) . . . 8_657 ? C3 C4 C5 C1 178.36(12) . . . 8_657 ? N1 C4 C5 C6 -177.23(11) . . . . ? C3 C4 C5 C6 -0.66(18) . . . . ? C4 C5 C6 C7 -111.91(13) . . . . ? C1 C5 C6 C7 69.02(15) 8_657 . . . ? C4 C5 C6 C11 67.63(16) . . . . ? C1 C5 C6 C11 -111.45(13) 8_657 . . . ? C11 C6 C7 C8 0.37(19) . . . . ? C5 C6 C7 C8 179.92(11) . . . . ? C6 C7 C8 C9 -0.6(2) . . . . ? C7 C8 C9 C10 0.4(2) . . . . ? C8 C9 C10 C11 0.0(2) . . . . ? C9 C10 C11 C6 -0.2(2) . . . . ? C7 C6 C11 C10 0.05(19) . . . . ? C5 C6 C11 C10 -179.49(12) . . . . ? C12A O1 C12A C13 75.27(14) 2 . . . ? Al1 O1 C12A C13 -104.73(14) . . . . ? C12B O1 C12B C13 -84.4(3) 2 . . . ? Al1 O1 C12B C13 95.6(3) . . . . ?