#------------------------------------------------------------------------------ #$Date: 2024-11-21 01:07:15 +0200 (Thu, 21 Nov 2024) $ #$Revision: 296015 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/32/1573212.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_1573212 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 'C44 H32 Al N4 O2, C8 H11 N, 2(C H2 Cl2), Cl' _chemical_formula_sum 'C54 H47 Al Cl5 N5 O2' _chemical_formula_weight 1002.19 _chemical_name_systematic 'diaqua-(meso-tetraphenylporphyrinaluminium(III) chloride-2,4,6-collidine-dichloromethane (1:1:2)' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2019/3 _audit_update_record ; 2024-05-24 deposited with the CCDC. 2024-11-17 downloaded from the CCDC. ; _cell_angle_alpha 65.6460(10) _cell_angle_beta 68.3900(10) _cell_angle_gamma 83.6570(10) _cell_formula_units_Z 2 _cell_length_a 13.4603(5) _cell_length_b 14.4286(5) _cell_length_c 14.8360(5) _cell_measurement_reflns_used 9619 _cell_measurement_temperature 120(2) _cell_measurement_theta_max 27.4455 _cell_measurement_theta_min 2.6704 _cell_volume 2437.53(15) _computing_cell_refinement 'SAINT V8.40B (Bruker AXS LLC, 2019)' _computing_data_collection 'Bruker Instrument Service v8.5.0.27 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-2019/2 (Sheldrick, 2019)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 120(2) _diffrn_detector_area_resol_mean 7.3910 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _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 0.0376 _diffrn_reflns_av_unetI/netI 0.0183 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_number 92637 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.461 _diffrn_reflns_theta_min 2.006 _diffrn_source 'INCOATEC microfocus sealed tube' _exptl_absorpt_coefficient_mu 0.364 _exptl_absorpt_correction_T_max 0.98 _exptl_absorpt_correction_T_min 0.94 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker, 2005)' _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.365 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate _exptl_crystal_F_000 1040 _exptl_crystal_size_max 0.355 _exptl_crystal_size_mid 0.092 _exptl_crystal_size_min 0.060 _exptl_transmission_factor_max 0.746 _exptl_transmission_factor_min 0.717 _refine_diff_density_max 0.691 _refine_diff_density_min -0.630 _refine_diff_density_rms 0.054 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 607 _refine_ls_number_reflns 11148 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.051 _refine_ls_R_factor_all 0.0464 _refine_ls_R_factor_gt 0.0424 _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^)+(0.0382P)^2^+2.4623P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1015 _refine_ls_wR_factor_ref 0.1039 _reflns_Friedel_coverage 0.000 _reflns_number_gt 10178 _reflns_number_total 11148 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc03665d2.cif _cod_data_source_block mo_mz_nkc_hulla_0m_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_database_code 1573212 _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 0.882 _shelx_estimated_absorpt_t_max 0.979 _shelx_res_file ; TITL mo_mz_nkc_hulla_0m_a.res in P-1 mo_mz_nkc_hulla_0m_a.res created by SHELXL-2019/3 at 14:45:41 on 22-May-2024 REM Old TITL mo_mz_nkc_hulla_0m in P-1 REM SHELXT solution in P-1: R1 0.149, Rweak 0.010, Alpha 0.047 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C54 Al Cl5 N7 CELL 0.71073 13.4603 14.4286 14.8360 65.646 68.390 83.657 ZERR 2.000 0.0005 0.0005 0.0005 0.001 0.001 0.001 LATT 1 SFAC C H AL CL N O UNIT 108 94 2 10 10 4 TEMP -153.150 L.S. 10 SIZE 0.060 0.092 0.355 BOND $H HTAB HTAB O1 N5 HTAB O2 Cl1 EQIV $1 -x+1, -y+1, -z+2 HTAB O1 N5_$1 EQIV $2 -x+1, -y+1, -z+1 HTAB O2 Cl1_$2 ACTA CONF LIST 4 MERG 2 FMAP 2 PLAN 20 WGHT 0.038200 2.462300 FVAR 0.40296 AL1 3 0.491759 0.498733 0.757708 11.00000 0.01019 0.00920 = 0.01094 -0.00358 -0.00334 0.00119 O1 6 0.493420 0.500161 0.888794 11.00000 0.01487 0.01972 = 0.01547 -0.00981 -0.00784 0.00741 AFIX 3 H1A 2 0.452093 0.533456 0.920396 11.00000 -1.50000 H1B 2 0.539194 0.478256 0.912396 11.00000 -1.50000 AFIX 0 O2 6 0.490930 0.495786 0.632297 11.00000 0.02352 0.01467 = 0.01488 -0.00720 -0.00974 0.00497 AFIX 3 H2A 2 0.474074 0.547053 0.579371 11.00000 -1.50000 H2B 2 0.513373 0.449352 0.606271 11.00000 -1.50000 AFIX 0 CL1 4 0.420936 0.652024 0.467621 11.00000 0.06678 0.02655 = 0.03245 -0.01890 -0.03458 0.02469 N1 5 0.462901 0.646658 0.707230 11.00000 0.01080 0.01087 = 0.01451 -0.00464 -0.00422 0.00102 N2 5 0.334065 0.464729 0.829548 11.00000 0.01238 0.01024 = 0.01422 -0.00370 -0.00476 0.00135 N3 5 0.520572 0.351198 0.809914 11.00000 0.01089 0.01088 = 0.01224 -0.00378 -0.00302 0.00101 N4 5 0.649675 0.532035 0.693906 11.00000 0.01202 0.00992 = 0.01253 -0.00428 -0.00329 0.00121 N5 5 0.348402 0.593233 1.016265 11.00000 0.01666 0.02077 = 0.01792 -0.00880 -0.00646 0.00399 C1 1 0.537223 0.727383 0.654348 11.00000 0.01468 0.01111 = 0.01532 -0.00499 -0.00509 0.00121 C2 1 0.485128 0.822095 0.625311 11.00000 0.01819 0.01062 = 0.02335 -0.00429 -0.00665 0.00159 AFIX 43 H2 2 0.518367 0.888554 0.590461 11.00000 -1.20000 AFIX 0 C3 1 0.379754 0.798486 0.657098 11.00000 0.01679 0.01262 = 0.02348 -0.00511 -0.00631 0.00394 AFIX 43 H3 2 0.325464 0.845198 0.646252 11.00000 -1.20000 AFIX 0 C4 1 0.365427 0.689489 0.710335 11.00000 0.01420 0.01268 = 0.01529 -0.00562 -0.00612 0.00328 C5 1 0.266578 0.636263 0.761814 11.00000 0.01370 0.01301 = 0.01556 -0.00627 -0.00631 0.00338 C6 1 0.252918 0.531030 0.821407 11.00000 0.01247 0.01472 = 0.01588 -0.00697 -0.00578 0.00238 C7 1 0.150825 0.477089 0.887150 11.00000 0.01129 0.01692 = 0.02135 -0.00601 -0.00479 0.00086 AFIX 43 H7 2 0.082583 0.505534 0.895402 11.00000 -1.20000 AFIX 0 C8 1 0.170451 0.377968 0.935099 11.00000 0.01372 0.01628 = 0.01957 -0.00519 -0.00344 -0.00072 AFIX 43 H8 2 0.118611 0.324005 0.984389 11.00000 -1.20000 AFIX 0 C9 1 0.284512 0.369945 0.897272 11.00000 0.01396 0.01365 = 0.01405 -0.00452 -0.00365 -0.00073 C10 1 0.336516 0.278594 0.922628 11.00000 0.01401 0.01257 = 0.01420 -0.00310 -0.00318 -0.00068 C11 1 0.446899 0.270818 0.878438 11.00000 0.01536 0.01101 = 0.01486 -0.00385 -0.00439 0.00032 C12 1 0.498967 0.176058 0.892654 11.00000 0.01770 0.01063 = 0.02012 -0.00320 -0.00270 0.00038 AFIX 43 H12 2 0.466181 0.109772 0.936906 11.00000 -1.20000 AFIX 0 C13 1 0.603437 0.199033 0.831162 11.00000 0.01809 0.01131 = 0.02022 -0.00541 -0.00452 0.00375 AFIX 43 H13 2 0.657737 0.151880 0.823557 11.00000 -1.20000 AFIX 0 C14 1 0.616914 0.308164 0.779469 11.00000 0.01468 0.01139 = 0.01399 -0.00565 -0.00530 0.00292 C15 1 0.715354 0.361219 0.711868 11.00000 0.01352 0.01258 = 0.01361 -0.00582 -0.00450 0.00251 C16 1 0.730198 0.466647 0.675936 11.00000 0.01211 0.01297 = 0.01227 -0.00501 -0.00325 0.00183 C17 1 0.831673 0.523006 0.614479 11.00000 0.01198 0.01551 = 0.01809 -0.00584 -0.00199 0.00114 AFIX 43 H17 2 0.899174 0.495929 0.590562 11.00000 -1.20000 AFIX 0 C18 1 0.812648 0.621771 0.597277 11.00000 0.01358 0.01422 = 0.01764 -0.00462 -0.00279 -0.00094 AFIX 43 H18 2 0.864578 0.676829 0.561133 11.00000 -1.20000 AFIX 0 C19 1 0.699293 0.627701 0.643893 11.00000 0.01342 0.01199 = 0.01249 -0.00410 -0.00354 -0.00044 C20 1 0.647678 0.719728 0.628298 11.00000 0.01406 0.01100 = 0.01444 -0.00400 -0.00435 0.00010 C21 1 0.715849 0.816311 0.572150 11.00000 0.01111 0.01022 = 0.01976 -0.00500 -0.00276 0.00101 C22 1 0.728697 0.879175 0.467306 11.00000 0.01781 0.01700 = 0.02051 -0.00520 -0.00625 0.00034 AFIX 43 H22 2 0.695134 0.859710 0.431109 11.00000 -1.20000 AFIX 0 C23 1 0.790072 0.969965 0.415264 11.00000 0.02032 0.01392 = 0.02189 -0.00222 -0.00282 0.00224 AFIX 43 H23 2 0.798229 1.012199 0.343852 11.00000 -1.20000 AFIX 0 C24 1 0.839360 0.999011 0.467254 11.00000 0.02023 0.01016 = 0.02878 -0.00729 0.00028 -0.00211 AFIX 43 H24 2 0.880110 1.061775 0.432108 11.00000 -1.20000 AFIX 0 C25 1 0.829070 0.936134 0.570950 11.00000 0.02347 0.01751 = 0.03007 -0.01167 -0.00801 -0.00243 AFIX 43 H25 2 0.864294 0.955100 0.606201 11.00000 -1.20000 AFIX 0 C26 1 0.767070 0.845151 0.623420 11.00000 0.02020 0.01495 = 0.02119 -0.00603 -0.00653 0.00020 AFIX 43 H26 2 0.759767 0.802637 0.694546 11.00000 -1.20000 AFIX 0 C27 1 0.168032 0.693771 0.755781 11.00000 0.01236 0.01130 = 0.01586 -0.00163 -0.00475 0.00158 C28 1 0.112149 0.681276 0.698754 11.00000 0.02020 0.01880 = 0.02797 -0.01053 -0.01114 0.00295 AFIX 43 H28 2 0.139659 0.640182 0.659636 11.00000 -1.20000 AFIX 0 C29 1 0.016354 0.728523 0.698653 11.00000 0.01929 0.02358 = 0.03089 -0.00530 -0.01504 -0.00008 AFIX 43 H29 2 -0.021779 0.718844 0.660330 11.00000 -1.20000 AFIX 0 C30 1 -0.023390 0.789391 0.754068 11.00000 0.01190 0.02416 = 0.02291 -0.00091 -0.00407 0.00468 AFIX 43 H30 2 -0.089671 0.820331 0.755242 11.00000 -1.20000 AFIX 0 C31 1 0.033149 0.805392 0.807879 11.00000 0.02207 0.02479 = 0.01986 -0.00923 -0.00352 0.01018 AFIX 43 H31 2 0.006883 0.849114 0.844121 11.00000 -1.20000 AFIX 0 C32 1 0.128625 0.757490 0.809055 11.00000 0.01986 0.02165 = 0.01809 -0.00820 -0.00770 0.00578 AFIX 43 H32 2 0.167063 0.768410 0.846477 11.00000 -1.20000 AFIX 0 C33 1 0.271139 0.181320 0.996091 11.00000 0.01261 0.01135 = 0.02000 -0.00380 0.00075 0.00086 C34 1 0.204791 0.143279 0.964870 11.00000 0.02109 0.01794 = 0.02894 -0.00762 -0.00545 -0.00131 AFIX 43 H34 2 0.197552 0.181206 0.898099 11.00000 -1.20000 AFIX 0 C35 1 0.148911 0.049617 1.031375 11.00000 0.02518 0.02119 = 0.04347 -0.01347 -0.00362 -0.00598 AFIX 43 H35 2 0.104023 0.023699 1.009605 11.00000 -1.20000 AFIX 0 C36 1 0.158639 -0.005766 1.129092 11.00000 0.02995 0.01293 = 0.03386 -0.00430 0.00719 -0.00435 AFIX 43 H36 2 0.120561 -0.069618 1.174188 11.00000 -1.20000 AFIX 0 C37 1 0.223545 0.031789 1.160837 11.00000 0.03140 0.01699 = 0.02148 -0.00179 0.00280 0.00298 AFIX 43 H37 2 0.229682 -0.006007 1.228122 11.00000 -1.20000 AFIX 0 C38 1 0.280087 0.124753 1.094815 11.00000 0.02238 0.01714 = 0.01977 -0.00377 -0.00198 0.00171 AFIX 43 H38 2 0.325111 0.149967 1.117007 11.00000 -1.20000 AFIX 0 C39 1 0.806946 0.301693 0.674585 11.00000 0.01399 0.01075 = 0.01331 -0.00318 -0.00069 0.00074 C40 1 0.797752 0.247200 0.618658 11.00000 0.02007 0.01516 = 0.01927 -0.00708 -0.00453 0.00001 AFIX 43 H40 2 0.733709 0.248392 0.605296 11.00000 -1.20000 AFIX 0 C41 1 0.881943 0.191441 0.582681 11.00000 0.03009 0.01461 = 0.01955 -0.00923 0.00100 -0.00144 AFIX 43 H41 2 0.875105 0.154515 0.544865 11.00000 -1.20000 AFIX 0 C42 1 0.975462 0.189102 0.601283 11.00000 0.02008 0.01341 = 0.02576 -0.00632 0.00526 0.00345 AFIX 43 H42 2 1.032520 0.150285 0.576825 11.00000 -1.20000 AFIX 0 C43 1 0.986096 0.243468 0.655717 11.00000 0.01410 0.01665 = 0.02604 -0.00350 -0.00196 0.00169 AFIX 43 H43 2 1.050780 0.242613 0.667893 11.00000 -1.20000 AFIX 0 C44 1 0.902139 0.299175 0.692434 11.00000 0.01670 0.01432 = 0.01840 -0.00543 -0.00422 0.00135 AFIX 43 H44 2 0.909604 0.335972 0.730116 11.00000 -1.20000 AFIX 0 C45 1 0.355998 0.695924 0.976160 11.00000 0.02300 0.02121 = 0.01805 -0.00867 -0.01017 0.00377 C46 1 0.266043 0.752787 0.993574 11.00000 0.03257 0.02362 = 0.02514 -0.01321 -0.01713 0.01108 AFIX 43 H46 2 0.273672 0.824921 0.965903 11.00000 -1.20000 AFIX 0 C47 1 0.165147 0.704490 1.051253 11.00000 0.02503 0.03882 = 0.02579 -0.02140 -0.01593 0.01600 C48 1 0.158349 0.599220 1.091633 11.00000 0.01592 0.03972 = 0.02228 -0.01772 -0.00712 0.00467 AFIX 43 H48 2 0.090493 0.563688 1.131606 11.00000 -1.20000 AFIX 0 C49 1 0.250904 0.545256 1.073742 11.00000 0.01835 0.02664 = 0.01593 -0.01096 -0.00632 0.00222 C50 1 0.466287 0.745043 0.911818 11.00000 0.02764 0.02312 = 0.02657 -0.00692 -0.00894 -0.00173 AFIX 137 H50A 2 0.463099 0.818652 0.892614 11.00000 -1.50000 H50B 2 0.495078 0.731991 0.847329 11.00000 -1.50000 H50C 2 0.512771 0.716590 0.953456 11.00000 -1.50000 AFIX 0 C51 1 0.066023 0.764829 1.068115 11.00000 0.03330 0.05424 = 0.03888 -0.02935 -0.02093 0.02674 AFIX 137 H51A 2 0.074675 0.813325 1.095720 11.00000 -1.50000 H51B 2 0.003891 0.718346 1.118987 11.00000 -1.50000 H51C 2 0.055138 0.801996 1.000587 11.00000 -1.50000 AFIX 0 C52 1 0.247586 0.431329 1.117899 11.00000 0.02574 0.02629 = 0.02275 -0.00905 -0.00615 -0.00344 AFIX 137 H52A 2 0.173283 0.405148 1.146965 11.00000 -1.50000 H52B 2 0.277761 0.405413 1.174167 11.00000 -1.50000 H52C 2 0.289540 0.408826 1.061481 11.00000 -1.50000 AFIX 0 C53 1 0.522025 0.889683 0.318365 11.00000 0.04143 0.03685 = 0.05542 -0.02355 -0.02457 0.01108 AFIX 23 H53A 2 0.514218 0.843307 0.287155 11.00000 -1.20000 H53B 2 0.528923 0.847453 0.387748 11.00000 -1.20000 AFIX 0 CL2 4 0.639298 0.969201 0.233989 11.00000 0.04783 0.05235 = 0.04730 -0.00473 -0.01228 0.00737 CL3 4 0.407584 0.960490 0.337422 11.00000 0.04161 0.05492 = 0.10442 -0.04876 -0.03506 0.01905 C54 1 0.253412 0.424797 0.615479 11.00000 0.03683 0.04962 = 0.05383 -0.01462 -0.01465 -0.01203 AFIX 23 H54A 2 0.289968 0.450848 0.537690 11.00000 -1.20000 H54B 2 0.289515 0.457467 0.642979 11.00000 -1.20000 AFIX 0 CL4 4 0.118537 0.457672 0.645066 11.00000 0.04534 0.03767 = 0.05523 -0.02858 -0.01818 0.00083 CL5 4 0.264360 0.292223 0.671457 11.00000 0.05356 0.05707 = 0.06235 -0.02600 -0.02500 0.01622 HKLF 4 REM mo_mz_nkc_hulla_0m_a.res in P-1 REM wR2 = 0.1039, GooF = S = 1.051, Restrained GooF = 1.051 for all data REM R1 = 0.0424 for 10178 Fo > 4sig(Fo) and 0.0464 for all 11148 data REM 607 parameters refined using 0 restraints END WGHT 0.0382 2.4624 REM Instructions for potential hydrogen bonds HTAB O1 N5 HTAB O1 N5_$1 HTAB O2 Cl1 HTAB O2 Cl1_$2 REM Highest difference peak 0.691, deepest hole -0.630, 1-sigma level 0.054 Q1 1 0.6160 0.9703 0.1868 11.00000 0.05 0.69 Q2 1 0.4356 0.9684 0.2673 11.00000 0.05 0.67 Q3 1 0.2843 0.3369 0.6095 11.00000 0.05 0.49 Q4 1 0.4966 0.6651 0.4375 11.00000 0.05 0.44 Q5 1 0.2265 0.3694 0.9228 11.00000 0.05 0.40 Q6 1 0.2171 0.6628 0.7584 11.00000 0.05 0.40 Q7 1 0.7555 0.6318 0.6162 11.00000 0.05 0.38 Q8 1 0.2008 0.5094 0.8536 11.00000 0.05 0.37 Q9 1 0.7817 0.4914 0.6490 11.00000 0.05 0.36 Q10 1 0.2599 0.5859 0.7964 11.00000 0.05 0.35 Q11 1 0.6083 0.2521 0.8064 11.00000 0.05 0.35 Q12 1 0.3024 0.2322 0.9644 11.00000 0.05 0.34 Q13 1 0.5918 0.7185 0.6359 11.00000 0.05 0.34 Q14 1 0.6815 0.7667 0.6017 11.00000 0.05 0.34 Q15 1 0.3161 0.6608 0.7294 11.00000 0.05 0.33 Q16 1 0.4669 0.2226 0.8866 11.00000 0.05 0.33 Q17 1 0.3065 0.3228 0.8977 11.00000 0.05 0.32 Q18 1 0.8584 0.3106 0.6688 11.00000 0.05 0.31 Q19 1 0.7224 0.4125 0.7004 11.00000 0.05 0.31 Q20 1 0.6724 0.6734 0.6328 11.00000 0.05 0.31 ; _shelx_res_checksum 51245 _shelx_hkl_file ; -2 0 0 782.42 18.60 -2 0 0 796.72 18.60 -2 0 0 804.02 18.70 -2 0 0 761.62 19.30 -2 0 0 791.02 18.80 2 0 0 810.72 18.50 2 0 0 776.32 18.60 2 0 0 798.52 19.30 2 0 0 794.62 18.70 2 0 0 810.82 18.60 -3 0 0 1507.55 34.40 -3 0 0 1478.75 35.50 -3 0 0 1482.45 34.40 3 0 0 1512.85 35.40 3 0 0 1498.65 34.20 3 0 0 1460.15 34.40 3 0 0 1463.25 34.50 3 0 0 1467.25 34.50 -4 0 0 444.26 12.90 -4 0 0 424.26 11.90 -4 0 0 420.76 11.70 -4 0 0 436.56 11.20 -4 0 0 427.36 11.40 -4 0 0 428.86 11.50 4 0 0 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412.26 12.30 -5 -2 0 390.16 10.10 -5 -2 0 411.56 11.10 5 2 0 381.16 11.30 5 2 0 397.16 12.10 5 2 0 397.36 12.00 5 2 0 395.36 10.40 5 2 0 399.96 11.40 5 2 0 388.26 11.60 -6 -2 0 202.08 6.90 -6 -2 0 195.58 6.00 -6 -2 0 211.28 8.20 -6 -2 0 202.68 6.90 6 2 0 202.58 6.30 6 2 0 220.38 8.10 6 2 0 202.48 7.90 6 2 0 193.18 8.80 6 2 0 198.48 7.40 6 2 0 193.08 7.10 6 2 0 195.88 7.20 -7 -2 0 202.98 7.80 -7 -2 0 198.38 7.10 -7 -2 0 199.68 6.20 -7 -2 0 190.28 8.40 -7 -2 0 206.58 7.20 7 2 0 197.38 7.70 7 2 0 193.08 7.50 7 2 0 194.68 9.00 7 2 0 194.68 7.50 7 2 0 197.68 8.10 7 2 0 195.28 8.10 -8 -2 0 196.18 7.40 -8 -2 0 199.78 7.50 -8 -2 0 206.98 9.30 -8 -2 0 194.38 6.50 -8 -2 0 197.48 8.10 8 2 0 199.48 8.00 8 2 0 212.68 9.70 8 2 0 204.08 8.70 8 2 0 194.18 7.90 8 2 0 209.88 8.20 8 2 0 202.88 8.70 -9 -2 0 159.08 5.70 -9 -2 0 140.09 8.00 -9 -2 0 154.78 6.60 -9 -2 0 151.48 6.50 -9 -2 0 156.18 7.40 9 2 0 162.08 7.80 9 2 0 160.78 8.60 9 2 0 141.99 6.90 9 2 0 150.08 7.10 9 2 0 152.48 7.70 9 2 0 140.49 7.00 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563.84 17.90 11 -3 0 571.84 17.20 -11 3 0 556.64 17.60 -11 3 0 553.34 18.10 -11 3 0 602.84 19.20 -11 3 0 567.14 17.70 -11 3 0 576.64 18.60 -11 3 0 547.35 22.00 10 -3 0 122.79 6.60 10 -3 0 122.09 6.30 10 -3 0 120.09 4.50 10 -3 0 115.29 5.70 10 -3 0 123.69 7.90 -10 3 0 123.79 6.60 -10 3 0 128.29 8.90 -10 3 0 120.79 6.20 -10 3 0 121.19 6.20 -10 3 0 121.39 6.80 -10 3 0 123.59 6.70 9 -3 0 76.19 3.10 9 -3 0 71.39 4.10 9 -3 0 73.39 4.10 9 -3 0 86.09 5.10 9 -3 0 72.29 4.50 9 -3 0 63.49 5.40 -9 3 0 69.59 4.70 -9 3 0 77.49 4.70 -9 3 0 67.69 4.70 -9 3 0 74.09 4.60 -9 3 0 76.39 6.50 -9 3 0 73.09 4.70 8 -3 0 531.05 15.50 8 -3 0 530.05 13.10 8 -3 0 541.55 14.90 8 -3 0 533.15 16.00 8 -3 0 520.35 17.80 8 -3 0 521.05 14.80 -8 3 0 495.75 15.90 -8 3 0 506.55 18.70 -8 3 0 549.65 16.10 -8 3 0 500.05 15.70 -8 3 0 530.75 15.40 -8 3 0 546.35 15.80 7 -3 0 417.76 14.80 7 -3 0 431.46 12.20 7 -3 0 417.06 13.10 7 -3 0 433.96 12.70 7 -3 0 424.56 12.10 -7 3 0 415.36 12.90 -7 3 0 428.06 15.70 -7 3 0 425.56 12.60 -7 3 0 448.46 13.20 -7 3 0 430.66 13.20 6 -3 0 8.60 1.40 6 -3 0 10.10 1.80 6 -3 0 9.20 2.10 6 -3 0 7.10 1.30 6 -3 0 11.20 1.50 -6 3 0 7.90 1.60 -6 3 0 9.20 1.50 -6 3 0 8.80 2.30 -6 3 0 12.00 1.90 -6 3 0 6.20 1.40 -6 3 0 9.80 1.80 5 -3 0 361.46 10.50 5 -3 0 346.87 9.50 5 -3 0 342.37 9.50 5 -3 0 360.86 10.00 5 -3 0 350.86 12.00 -5 3 0 328.57 12.20 -5 3 0 343.17 10.50 -5 3 0 349.57 10.40 -5 3 0 347.17 10.20 -5 3 0 376.16 10.70 -5 3 0 347.87 9.90 4 -3 0 2135.49 51.19 4 -3 0 2187.98 48.40 4 -3 0 2082.79 48.40 -4 3 0 2144.59 51.79 -4 3 0 2130.09 49.70 -4 3 0 2113.29 49.00 -4 3 0 2077.89 49.60 3 -3 0 54.89 2.60 3 -3 0 49.60 1.80 3 -3 0 52.79 3.20 3 -3 0 48.70 2.10 3 -3 0 52.79 1.70 -3 3 0 54.39 2.70 -3 3 0 53.29 2.20 -3 3 0 50.59 2.70 -3 3 0 51.79 3.50 -3 3 0 49.50 2.30 2 -3 0 118.79 4.70 2 -3 0 129.09 3.50 2 -3 0 128.09 4.00 -2 3 0 123.89 3.20 -2 3 0 126.89 3.60 -2 3 0 123.29 5.00 -2 3 0 126.29 4.10 -2 3 0 122.19 4.30 -2 3 0 119.49 3.30 -1 3 0 1341.27 31.70 -1 3 0 1343.57 31.00 0 -3 0 88.39 2.60 0 3 0 84.39 2.50 0 3 0 91.29 3.00 -1 -3 0 2510.95 62.89 -1 -3 0 2498.55 56.39 -1 -3 0 2176.58 62.89 -1 -3 0 2451.65 55.59 1 3 0 2457.55 63.99 1 3 0 2532.25 59.49 1 3 0 2490.95 57.09 1 3 0 2612.14 63.19 -2 -3 0 3809.32 98.29 -2 -3 0 3870.01 91.69 -2 -3 0 3747.23 88.19 -2 -3 0 3822.82 98.49 2 3 0 3927.91 93.79 2 3 0 3699.83 99.39 2 3 0 3708.93 90.39 2 3 0 3857.71 97.79 -3 -3 0 23.30 1.70 -3 -3 0 23.00 0.80 -3 -3 0 24.20 1.50 -3 -3 0 23.30 1.30 3 3 0 23.30 1.50 3 3 0 22.90 1.60 3 3 0 21.80 0.90 3 3 0 21.30 1.70 3 3 0 23.30 1.60 -4 -3 0 1657.23 37.80 -4 -3 0 1609.74 37.10 -4 -3 0 1566.64 35.90 -4 -3 0 1595.64 37.80 4 3 0 1587.04 38.70 4 3 0 1548.65 37.40 4 3 0 1625.94 38.00 4 3 0 1605.34 36.30 4 3 0 1541.85 37.60 4 3 0 1629.84 38.10 -5 -3 0 2663.03 61.29 -5 -3 0 2708.13 62.29 -5 -3 0 2671.93 63.49 5 3 0 2577.14 61.79 5 3 0 2645.44 62.99 5 3 0 2694.03 62.29 5 3 0 2614.64 60.29 5 3 0 2744.93 62.29 -6 -3 0 308.37 8.90 -6 -3 0 271.37 10.40 -6 -3 0 298.67 8.80 -6 -3 0 284.27 7.60 -6 -3 0 283.47 9.80 6 3 0 269.67 9.20 6 3 0 278.77 10.20 6 3 0 279.97 9.50 6 3 0 279.87 10.10 6 3 0 290.67 11.90 6 3 0 294.37 9.70 -7 -3 0 80.29 3.90 -7 -3 0 77.39 4.40 -7 -3 0 78.79 3.90 -7 -3 0 84.49 5.80 -7 -3 0 77.59 3.00 7 3 0 71.09 4.20 7 3 0 79.89 4.50 7 3 0 72.79 5.60 7 3 0 82.09 5.00 7 3 0 76.29 4.30 7 3 0 82.79 4.70 -8 -3 0 378.26 11.40 -8 -3 0 391.86 11.60 -8 -3 0 363.16 12.30 -8 -3 0 376.96 13.20 -8 -3 0 368.86 10.10 8 3 0 339.87 14.20 8 3 0 365.06 12.20 8 3 0 373.06 12.70 8 3 0 354.86 15.70 8 3 0 363.96 12.10 -9 -3 0 23.50 2.40 -9 -3 0 21.80 3.40 9 3 0 22.10 3.20 9 3 0 24.10 3.90 -10 -3 0 50.09 3.60 -10 -3 0 45.90 3.50 -10 -3 0 50.39 4.70 -10 -3 0 41.10 2.60 -10 -3 0 51.49 4.30 10 3 0 52.29 5.30 10 3 0 44.00 4.00 10 3 0 48.50 4.40 10 3 0 39.20 3.80 10 3 0 49.40 4.10 10 3 0 39.10 3.80 -11 -3 0 18.40 2.80 -11 -3 0 19.70 3.30 -11 -3 0 29.90 4.70 -11 -3 0 23.40 3.00 -11 -3 0 20.50 2.00 11 3 0 20.80 3.40 11 3 0 17.10 3.50 11 3 0 28.20 4.80 11 3 0 22.70 3.50 11 3 0 20.90 3.60 11 3 0 17.10 3.10 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4.90 -13 4 0 56.39 8.40 -13 4 0 44.80 4.60 -13 4 0 45.40 4.30 -13 4 0 42.90 5.40 12 -4 0 41.10 3.70 12 -4 0 44.90 3.70 12 -4 0 42.50 3.40 12 -4 0 41.60 4.30 12 -4 0 42.90 5.70 -12 4 0 42.40 4.30 -12 4 0 49.80 4.30 -12 4 0 51.89 7.60 -12 4 0 47.40 4.30 -12 4 0 46.40 4.60 -12 4 0 50.29 4.70 11 -4 0 79.89 4.60 11 -4 0 75.19 4.30 11 -4 0 69.19 6.20 11 -4 0 77.69 4.90 -11 4 0 76.59 5.50 -11 4 0 70.19 5.30 -11 4 0 76.29 5.10 -11 4 0 59.39 10.00 -11 4 0 72.29 4.90 -11 4 0 64.39 5.10 10 -4 0 48.60 4.20 10 -4 0 61.69 3.80 10 -4 0 53.59 3.50 10 -4 0 51.19 3.80 10 -4 0 49.00 5.00 -10 4 0 48.80 4.20 -10 4 0 54.09 6.00 -10 4 0 54.39 4.10 -10 4 0 53.09 4.30 -10 4 0 57.59 4.20 -10 4 0 49.30 4.30 9 -4 0 132.69 5.60 9 -4 0 137.49 8.10 9 -4 0 124.69 6.40 9 -4 0 128.69 5.40 9 -4 0 133.09 6.10 -9 4 0 136.09 6.80 -9 4 0 140.99 9.00 -9 4 0 127.59 6.60 -9 4 0 130.39 6.50 -9 4 0 122.59 6.30 -9 4 0 129.99 7.10 8 -4 0 299.17 9.30 8 -4 0 308.17 10.00 8 -4 0 289.37 10.50 -8 4 0 326.47 14.40 -8 4 0 298.57 10.80 -8 4 0 309.87 10.80 -8 4 0 282.27 10.30 -8 4 0 302.27 13.40 -8 4 0 298.57 10.10 7 -4 0 126.99 5.10 7 -4 0 120.29 4.60 7 -4 0 115.09 6.70 7 -4 0 120.79 5.60 -7 4 0 117.29 5.10 -7 4 0 130.09 5.80 -7 4 0 101.69 5.20 -7 4 0 121.69 5.80 6 -4 0 573.84 14.50 6 -4 0 581.44 18.00 6 -4 0 580.74 16.00 6 -4 0 586.64 14.50 6 -4 0 581.84 15.20 -6 4 0 555.64 17.00 -6 4 0 506.55 18.20 -6 4 0 574.94 16.20 -6 4 0 576.14 16.20 -6 4 0 568.34 15.30 -6 4 0 558.74 15.60 5 -4 0 73.49 3.70 5 -4 0 72.59 3.20 5 -4 0 75.79 4.70 5 -4 0 71.19 2.70 -5 4 0 73.49 3.90 -5 4 0 77.09 3.60 -5 4 0 71.69 3.80 -5 4 0 70.29 3.30 -5 4 0 65.69 3.30 4 -4 0 12.00 0.80 4 -4 0 11.30 0.80 4 -4 0 11.10 1.10 4 -4 0 9.80 1.50 -4 4 0 12.10 1.70 -4 4 0 19.00 3.60 -4 4 0 11.60 1.70 -4 4 0 12.10 1.20 -4 4 0 13.10 1.40 -4 4 0 11.60 1.40 3 -4 0 596.64 16.00 3 -4 0 561.54 13.60 3 -4 0 581.94 14.40 -3 4 0 582.14 14.70 -3 4 0 545.45 16.30 -3 4 0 563.24 13.50 -3 4 0 541.35 13.90 -3 4 0 553.44 13.60 -3 4 0 547.05 14.90 2 -4 0 336.77 9.90 2 -4 0 335.07 8.70 -2 4 0 339.37 9.00 -2 4 0 323.27 7.70 -2 4 0 328.17 7.60 -2 4 0 339.17 8.40 -2 4 0 338.47 10.40 -2 4 0 327.47 9.40 1 -4 0 55.29 2.70 -1 4 0 61.79 2.10 -1 4 0 60.59 2.30 -1 4 0 58.99 2.30 -1 4 0 59.09 2.60 -1 4 0 59.59 3.00 0 -4 0 2884.71 67.89 0 -4 0 2818.02 66.09 0 4 0 2832.32 68.49 0 4 0 2940.91 66.59 -1 -4 0 249.78 6.60 1 4 0 257.47 6.40 1 4 0 267.27 6.20 1 4 0 262.47 6.60 -2 -4 0 696.33 16.90 -2 -4 0 699.13 16.10 -2 -4 0 712.13 16.60 2 4 0 732.23 16.60 2 4 0 699.23 16.70 2 4 0 710.73 17.20 -3 -4 0 0.20 0.30 -3 -4 0 0.50 0.60 -3 -4 0 0.20 0.40 3 4 0 1.00 0.70 3 4 0 0.40 0.20 3 4 0 0.40 0.50 3 4 0 0.50 0.60 -4 -4 0 285.27 8.30 -4 -4 0 283.07 7.60 -4 -4 0 286.47 7.90 4 4 0 267.47 8.00 4 4 0 264.47 8.20 4 4 0 281.57 8.10 4 4 0 282.37 6.80 4 4 0 265.87 8.50 -5 -4 0 6.60 1.30 -5 -4 0 6.80 1.10 -5 -4 0 5.20 0.50 -5 -4 0 4.40 1.40 5 4 0 4.50 0.70 5 4 0 5.90 1.30 5 4 0 9.00 1.90 5 4 0 6.90 1.30 5 4 0 5.60 1.40 5 4 0 8.10 1.40 -6 -4 0 138.29 3.90 -6 -4 0 136.19 5.00 -6 -4 0 138.19 5.80 -6 -4 0 132.49 6.60 6 4 0 129.39 5.60 6 4 0 133.89 5.90 6 4 0 145.49 6.60 6 4 0 127.69 7.60 6 4 0 123.49 5.50 6 4 0 146.29 5.90 -7 -4 0 360.16 11.80 -7 -4 0 361.56 12.00 -7 -4 0 377.66 9.40 -7 -4 0 363.96 10.80 7 4 0 358.66 11.70 7 4 0 388.76 12.00 7 4 0 389.56 13.10 7 4 0 366.66 14.70 7 4 0 366.06 11.60 7 4 0 346.87 11.90 -8 -4 0 423.36 13.50 -8 -4 0 408.36 12.30 -8 -4 0 409.16 13.70 -8 -4 0 412.86 10.60 8 4 0 397.26 16.10 8 4 0 416.86 14.50 8 4 0 413.96 13.20 8 4 0 404.96 13.50 8 4 0 411.26 13.40 8 4 0 429.16 13.60 -9 -4 0 75.49 3.10 -9 -4 0 74.69 4.20 -9 -4 0 74.79 5.20 -9 -4 0 68.69 4.80 9 4 0 72.79 4.90 9 4 0 71.79 4.80 9 4 0 78.19 6.60 9 4 0 78.19 5.50 9 4 0 74.29 4.80 9 4 0 75.09 4.90 -10 -4 0 2.50 1.60 -10 -4 0 0.70 1.10 -10 -4 0 -0.20 0.50 -10 -4 0 1.70 1.20 10 4 0 -0.60 0.90 10 4 0 1.90 1.00 10 4 0 0.00 1.30 10 4 0 -0.30 1.10 10 4 0 1.60 1.10 10 4 0 -0.70 1.60 -11 -4 0 7.80 2.40 -11 -4 0 6.80 2.10 -11 -4 0 4.20 1.60 -11 -4 0 5.90 1.10 11 4 0 8.20 3.10 11 4 0 6.60 2.00 11 4 0 7.30 1.90 11 4 0 6.60 2.00 11 4 0 7.20 2.20 11 4 0 3.00 1.90 -12 -4 0 97.89 6.50 -12 -4 0 81.49 3.80 -12 -4 0 81.89 5.10 -12 -4 0 83.09 6.60 12 4 0 85.79 6.10 12 4 0 90.99 6.20 12 4 0 84.79 6.00 12 4 0 86.29 7.50 -13 -4 0 2.50 1.50 -13 -4 0 0.10 0.70 -13 -4 0 0.40 1.30 -13 -4 0 2.20 1.90 13 4 0 -0.90 1.70 13 4 0 -0.20 1.00 13 4 0 -2.20 1.60 13 4 0 -2.70 1.50 13 4 0 0.60 1.80 13 4 0 -2.10 1.10 -14 -4 0 2.40 1.00 -14 -4 0 2.80 2.50 14 4 0 0.00 1.60 14 4 0 1.20 1.50 14 4 0 4.40 2.50 14 4 0 2.60 2.00 -15 -4 0 0.80 1.60 -15 -4 0 -1.20 1.40 -15 -4 0 0.30 1.00 15 4 0 0.50 1.70 15 4 0 3.40 1.70 15 4 0 -1.20 2.00 15 4 0 2.00 1.90 15 -5 0 2.00 1.60 15 -5 0 3.20 1.60 15 -5 0 5.60 1.80 -15 5 0 1.80 3.30 -15 5 0 2.80 2.30 14 -5 0 0.80 1.80 14 -5 0 2.10 1.40 14 -5 0 1.80 1.30 14 -5 0 2.90 2.50 -14 5 0 1.90 1.60 -14 5 0 4.60 3.00 -14 5 0 1.40 1.80 13 -5 0 38.40 3.70 13 -5 0 31.80 3.70 13 -5 0 32.20 5.40 13 -5 0 28.30 4.40 13 -5 0 25.60 2.60 -13 5 0 30.50 4.20 -13 5 0 20.20 3.60 -13 5 0 22.20 5.00 -13 5 0 31.00 4.40 -13 5 0 34.80 4.70 12 -5 0 35.80 3.30 12 -5 0 30.20 2.80 12 -5 0 31.70 4.40 12 -5 0 32.00 3.10 12 -5 0 40.40 5.80 -12 5 0 30.60 4.30 -12 5 0 32.80 4.40 -12 5 0 39.40 4.70 -12 5 0 38.20 4.50 -12 5 0 33.60 6.40 -12 5 0 36.00 4.80 11 -5 0 58.99 5.70 11 -5 0 55.29 3.70 11 -5 0 54.79 4.00 11 -5 0 56.89 3.60 11 -5 0 54.79 4.60 -11 5 0 56.89 4.40 -11 5 0 49.10 4.40 -11 5 0 64.49 4.70 -11 5 0 60.09 4.80 -11 5 0 57.29 8.00 -11 5 0 57.39 4.70 10 -5 0 6.10 2.00 10 -5 0 4.60 2.10 10 -5 0 9.70 1.70 10 -5 0 12.60 2.30 10 -5 0 12.70 2.00 -10 5 0 9.00 2.00 -10 5 0 6.90 2.30 -10 5 0 8.90 2.30 -10 5 0 7.80 2.00 -10 5 0 8.10 2.20 -10 5 0 9.40 2.40 9 -5 0 176.18 7.10 9 -5 0 178.28 6.40 9 -5 0 186.48 9.70 9 -5 0 183.88 6.60 9 -5 0 178.48 8.00 -9 5 0 183.68 8.20 -9 5 0 185.18 10.60 -9 5 0 185.18 8.10 -9 5 0 182.38 7.90 -9 5 0 191.78 11.00 -9 5 0 182.18 8.10 8 -5 0 601.34 17.80 8 -5 0 609.44 15.90 8 -5 0 610.44 15.90 8 -5 0 599.74 20.10 8 -5 0 615.84 16.80 -8 5 0 625.44 21.80 -8 5 0 615.34 18.20 -8 5 0 591.84 17.80 -8 5 0 622.84 17.70 -8 5 0 613.34 17.30 -8 5 0 595.14 18.00 7 -5 0 305.67 12.10 7 -5 0 289.37 10.10 7 -5 0 307.67 8.50 7 -5 0 310.17 9.30 -7 5 0 290.27 10.40 -7 5 0 319.97 10.80 -7 5 0 314.07 9.80 -7 5 0 286.07 9.90 -7 5 0 297.57 13.10 6 -5 0 257.27 6.60 6 -5 0 252.67 7.60 6 -5 0 252.87 6.80 6 -5 0 249.18 8.60 6 -5 0 258.17 10.30 -6 5 0 254.57 9.00 -6 5 0 250.87 8.90 -6 5 0 231.28 8.10 -6 5 0 257.77 8.00 -6 5 0 231.28 10.80 -6 5 0 227.18 9.10 5 -5 0 15.10 2.60 5 -5 0 16.70 0.80 5 -5 0 15.90 0.90 5 -5 0 15.30 1.40 -5 5 0 15.10 2.20 -5 5 0 18.80 2.30 -5 5 0 10.90 2.10 -5 5 0 15.90 1.70 -5 5 0 13.50 1.70 -5 5 0 15.90 1.50 4 -5 0 172.48 6.00 4 -5 0 171.88 7.30 4 -5 0 179.38 5.30 -4 5 0 173.28 8.00 -4 5 0 175.28 5.30 -4 5 0 183.28 5.60 -4 5 0 174.98 6.60 -4 5 0 180.68 6.40 -4 5 0 186.38 5.20 -4 5 0 177.18 5.70 3 -5 0 2196.48 52.29 -3 5 0 2187.78 49.50 -3 5 0 2197.38 51.39 -3 5 0 2121.59 52.99 -3 5 0 2236.78 50.99 2 -5 0 397.86 11.30 2 -5 0 386.46 9.90 -2 5 0 390.16 10.30 -2 5 0 377.96 10.80 -2 5 0 380.66 11.80 -2 5 0 381.96 9.60 -2 5 0 374.36 10.50 -1 5 0 1130.09 27.00 -1 5 0 1156.08 26.10 -1 5 0 1123.09 26.30 -1 5 0 1073.69 27.70 -1 5 0 1140.79 26.40 0 -5 0 157.68 4.60 0 5 0 153.88 4.90 0 5 0 154.88 4.40 0 5 0 159.98 5.30 -1 -5 0 126.19 3.80 1 5 0 127.19 3.20 1 5 0 128.29 3.70 1 5 0 126.79 3.60 1 5 0 125.89 4.00 -2 -5 0 16.50 1.10 -2 -5 0 15.50 0.70 -2 -5 0 15.50 0.60 2 5 0 15.70 1.00 2 5 0 13.50 1.30 2 5 0 16.40 1.00 -3 -5 0 73.79 2.70 -3 -5 0 75.39 2.90 -3 -5 0 74.79 2.30 3 5 0 76.89 1.90 3 5 0 75.49 2.70 3 5 0 69.99 2.90 3 5 0 73.79 3.30 -4 -5 0 2.70 0.80 -4 -5 0 2.50 0.70 -4 -5 0 4.40 0.70 4 5 0 4.40 1.10 4 5 0 4.50 1.20 4 5 0 4.30 0.90 4 5 0 4.10 0.90 -5 -5 0 1454.85 34.50 -5 -5 0 1476.05 34.40 -5 -5 0 1460.65 34.10 5 5 0 1420.06 35.10 5 5 0 1441.56 36.80 5 5 0 1466.95 35.90 5 5 0 1501.65 34.90 -6 -5 0 12.60 1.70 -6 -5 0 11.50 1.50 6 5 0 10.60 2.00 6 5 0 9.40 1.80 6 5 0 10.40 1.70 6 5 0 9.50 1.60 6 5 0 13.20 2.20 6 5 0 5.90 1.90 -7 -5 0 30.00 2.60 -7 -5 0 35.10 2.40 -7 -5 0 35.90 3.00 -7 -5 0 36.00 1.50 7 5 0 29.50 4.30 7 5 0 32.40 3.40 7 5 0 38.20 2.90 7 5 0 34.20 2.90 7 5 0 32.40 2.80 7 5 0 32.20 3.00 -8 -5 0 25.10 1.40 -8 -5 0 25.60 2.20 -8 -5 0 22.80 3.00 8 5 0 32.30 3.50 8 5 0 28.30 2.90 8 5 0 24.50 3.20 8 5 0 27.30 4.90 8 5 0 30.10 3.10 8 5 0 32.90 2.90 -9 -5 0 124.79 7.50 -9 -5 0 123.79 3.90 -9 -5 0 110.99 6.10 -9 -5 0 119.29 5.30 9 5 0 120.29 7.10 9 5 0 119.39 6.10 9 5 0 120.49 6.40 9 5 0 122.19 6.30 9 5 0 118.49 6.40 9 5 0 105.39 8.20 -10 -5 0 19.50 2.60 -10 -5 0 14.30 2.80 -10 -5 0 13.80 1.20 -10 -5 0 15.50 2.90 10 5 0 17.90 3.10 10 5 0 16.40 2.70 10 5 0 16.10 2.90 10 5 0 19.00 3.80 10 5 0 26.00 3.70 10 5 0 11.10 3.30 -11 -5 0 2.90 0.70 -11 -5 0 3.70 1.70 -11 -5 0 0.30 1.10 -11 -5 0 2.60 1.30 11 5 0 3.40 1.90 11 5 0 4.40 2.00 11 5 0 2.30 1.50 11 5 0 3.20 2.60 11 5 0 1.80 1.70 11 5 0 6.90 2.00 -12 -5 0 54.39 2.70 -12 -5 0 45.40 4.50 -12 -5 0 54.19 4.00 -12 -5 0 51.29 4.80 12 5 0 56.69 6.60 12 5 0 59.79 4.80 12 5 0 57.19 4.90 12 5 0 63.09 5.50 12 5 0 58.19 5.60 12 5 0 54.29 5.00 -13 -5 0 31.40 4.60 -13 -5 0 32.00 3.30 -13 -5 0 32.50 4.60 -13 -5 0 38.40 2.40 13 5 0 36.40 6.00 13 5 0 42.20 7.40 13 5 0 44.10 5.40 13 5 0 39.50 5.20 13 5 0 37.30 4.60 -14 -5 0 2.30 0.90 -14 -5 0 3.90 2.40 -14 -5 0 4.30 2.30 14 5 0 6.10 2.70 14 5 0 7.90 2.30 14 5 0 4.50 2.10 14 5 0 3.00 2.20 -15 -5 0 3.90 2.00 -15 -5 0 3.70 2.20 -15 -5 0 -2.30 1.10 15 5 0 1.30 2.60 15 5 0 -1.40 1.90 15 5 0 -1.50 1.40 15 5 0 -1.10 1.90 15 -6 0 150.08 6.80 15 -6 0 162.88 8.30 15 -6 0 166.48 9.70 -15 6 0 158.78 13.30 -15 6 0 175.28 10.40 14 -6 0 359.66 18.00 14 -6 0 321.47 11.00 14 -6 0 342.77 14.30 -14 6 0 330.37 18.80 -14 6 0 358.66 14.90 13 -6 0 130.59 6.90 13 -6 0 135.89 5.90 13 -6 0 142.29 9.70 13 -6 0 140.09 8.10 -13 6 0 139.69 7.80 -13 6 0 145.29 11.60 -13 6 0 132.89 7.80 -13 6 0 153.08 8.50 -13 6 0 125.59 7.90 -13 6 0 144.79 8.40 12 -6 0 88.49 6.30 12 -6 0 90.89 7.60 12 -6 0 93.79 6.50 12 -6 0 99.39 5.50 -12 6 0 96.69 9.10 -12 6 0 99.69 6.80 -12 6 0 99.99 6.60 -12 6 0 92.29 6.40 -12 6 0 95.89 6.00 11 -6 0 66.09 3.40 11 -6 0 65.69 5.20 11 -6 0 61.89 5.90 11 -6 0 66.49 3.50 11 -6 0 70.39 4.40 -11 6 0 63.29 4.50 -11 6 0 64.59 5.00 -11 6 0 60.99 5.00 -11 6 0 67.69 8.70 -11 6 0 57.79 4.70 -11 6 0 57.39 4.80 10 -6 0 20.60 3.20 10 -6 0 23.80 2.40 10 -6 0 22.10 1.90 10 -6 0 21.90 1.90 10 -6 0 23.70 4.20 -10 6 0 31.20 3.60 -10 6 0 22.90 3.50 -10 6 0 25.40 3.50 -10 6 0 20.80 3.30 -10 6 0 16.80 4.10 -10 6 0 27.00 3.70 9 -6 0 330.17 10.70 9 -6 0 341.37 9.40 9 -6 0 351.06 12.10 9 -6 0 339.17 9.60 9 -6 0 335.37 14.10 -9 6 0 334.27 15.60 -9 6 0 327.57 11.80 -9 6 0 357.26 12.60 -9 6 0 336.87 12.30 -9 6 0 334.27 12.00 8 -6 0 68.59 5.40 8 -6 0 61.39 2.70 8 -6 0 73.19 3.70 8 -6 0 62.29 2.60 8 -6 0 60.39 4.20 -8 6 0 64.49 4.10 -8 6 0 68.39 4.50 -8 6 0 65.39 3.90 -8 6 0 59.09 5.80 -8 6 0 51.69 3.90 -8 6 0 62.89 4.40 7 -6 0 7.00 1.70 7 -6 0 6.40 0.80 7 -6 0 4.50 1.90 7 -6 0 7.20 0.80 7 -6 0 7.30 1.40 -7 6 0 6.40 1.40 -7 6 0 7.30 1.90 -7 6 0 6.10 1.50 -7 6 0 5.30 2.00 -7 6 0 6.20 1.60 6 -6 0 610.74 14.10 6 -6 0 638.84 19.50 6 -6 0 624.74 15.90 6 -6 0 619.74 14.00 6 -6 0 613.34 17.10 -6 6 0 643.84 16.50 -6 6 0 635.04 17.80 -6 6 0 598.14 16.80 -6 6 0 630.04 18.00 -6 6 0 600.04 16.60 -6 6 0 603.44 20.60 5 -6 0 656.53 16.00 5 -6 0 628.84 17.10 5 -6 0 644.04 19.20 -5 6 0 621.44 16.70 -5 6 0 674.33 17.80 -5 6 0 653.93 18.10 -5 6 0 637.84 16.50 -5 6 0 584.84 20.00 -5 6 0 655.53 16.30 4 -6 0 44.60 2.10 4 -6 0 41.00 3.30 4 -6 0 46.20 2.70 -4 6 0 45.00 3.10 -4 6 0 44.70 2.40 -4 6 0 43.10 2.20 -4 6 0 44.70 2.10 -4 6 0 41.10 2.40 -4 6 0 43.00 2.90 3 -6 0 1722.53 38.90 3 -6 0 1703.83 41.30 -3 6 0 1744.73 38.30 -3 6 0 1707.03 37.90 -3 6 0 1692.43 40.00 -3 6 0 1664.43 38.90 -3 6 0 1598.14 40.30 -3 6 0 1657.73 40.40 -3 6 0 1629.44 42.30 -3 6 0 1715.33 40.60 -2 6 0 962.80 23.20 -2 6 0 933.91 25.10 -2 6 0 965.00 22.40 -2 6 0 939.51 23.20 -2 6 0 956.80 23.90 -1 6 0 1403.06 32.10 -1 6 0 1354.26 33.80 -1 6 0 1382.16 32.00 -1 6 0 1372.66 32.20 -1 6 0 1380.66 32.90 0 6 0 1904.11 44.70 0 6 0 1903.11 44.10 1 6 0 253.67 6.70 1 6 0 259.37 7.10 1 6 0 256.97 6.20 1 6 0 263.67 7.40 1 6 0 255.77 6.60 -2 -6 0 28.10 1.50 2 6 0 28.90 1.40 2 6 0 28.60 1.80 2 6 0 23.80 1.30 -3 -6 0 4.70 0.80 3 6 0 7.40 1.20 -4 -6 0 36.60 2.10 -4 -6 0 37.60 1.60 -4 -6 0 41.30 2.10 4 6 0 37.00 2.40 4 6 0 37.80 2.60 4 6 0 38.60 1.90 -5 -6 0 1.70 0.70 -5 -6 0 -0.90 0.60 -5 -6 0 0.60 0.50 5 6 0 1.10 0.90 5 6 0 2.20 1.00 5 6 0 0.00 0.80 5 6 0 1.90 0.70 -6 -6 0 43.60 2.30 -6 -6 0 42.90 2.60 -6 -6 0 44.70 2.40 -6 -6 0 39.60 2.90 6 6 0 47.90 3.40 6 6 0 41.80 2.60 6 6 0 28.10 4.20 6 6 0 37.80 2.80 6 6 0 41.90 3.60 6 6 0 41.10 3.00 -7 -6 0 190.18 7.50 -7 -6 0 205.98 6.90 -7 -6 0 203.18 6.50 -7 -6 0 190.88 6.90 7 6 0 200.78 9.00 7 6 0 195.58 11.00 7 6 0 191.58 7.80 7 6 0 193.18 7.60 7 6 0 200.18 7.10 7 6 0 197.68 8.10 -8 -6 0 105.09 4.40 -8 -6 0 100.49 4.80 -8 -6 0 95.29 5.20 -8 -6 0 96.89 4.80 8 6 0 85.19 5.00 8 6 0 96.69 5.40 8 6 0 103.39 5.70 8 6 0 102.59 5.00 8 6 0 94.59 6.20 8 6 0 103.09 8.00 -9 -6 0 64.09 4.00 -9 -6 0 66.19 3.70 -9 -6 0 70.49 4.30 -9 -6 0 63.79 4.50 9 6 0 63.59 4.60 9 6 0 68.79 6.80 9 6 0 69.79 4.80 9 6 0 67.59 4.20 9 6 0 76.89 5.70 9 6 0 60.89 4.50 -10 -6 0 278.37 10.00 -10 -6 0 285.87 11.00 -10 -6 0 270.87 7.30 -10 -6 0 279.57 10.60 -10 -6 0 283.17 9.50 10 6 0 283.27 10.50 10 6 0 278.97 11.40 10 6 0 251.27 12.30 10 6 0 268.07 14.40 10 6 0 289.37 11.10 10 6 0 269.67 12.30 -11 -6 0 51.99 3.90 -11 -6 0 43.90 3.30 -11 -6 0 45.30 4.00 -11 -6 0 49.00 2.20 -11 -6 0 47.60 4.30 11 6 0 49.20 4.70 11 6 0 40.60 5.20 11 6 0 44.60 4.30 11 6 0 46.30 3.90 11 6 0 50.29 5.20 11 6 0 39.90 6.30 -12 -6 0 0.20 0.50 -12 -6 0 0.40 1.10 -12 -6 0 1.00 1.20 -12 -6 0 0.10 0.90 -12 -6 0 -0.30 1.30 12 6 0 0.20 1.10 12 6 0 -0.10 2.20 12 6 0 -0.20 1.50 12 6 0 1.60 1.80 12 6 0 -0.50 1.30 12 6 0 1.40 1.50 -13 -6 0 9.90 2.10 -13 -6 0 5.40 2.40 -13 -6 0 6.40 1.00 -13 -6 0 9.50 2.50 -13 -6 0 8.80 2.30 13 6 0 8.90 2.80 13 6 0 6.30 2.90 13 6 0 9.10 2.90 13 6 0 14.10 2.50 -14 -6 0 17.60 3.50 -14 -6 0 14.70 1.50 -14 -6 0 11.60 3.00 -14 -6 0 18.70 3.70 14 6 0 12.80 3.40 14 6 0 17.40 5.60 14 6 0 13.60 2.80 14 6 0 16.70 4.70 15 -7 0 70.09 3.80 15 -7 0 67.59 6.20 15 -7 0 65.99 3.80 15 -7 0 74.69 5.30 -15 7 0 98.59 12.90 14 -7 0 18.10 3.50 14 -7 0 11.60 1.70 14 -7 0 14.10 1.90 -14 7 0 14.70 3.60 -14 7 0 19.80 5.60 13 -7 0 32.70 3.20 13 -7 0 35.40 2.50 13 -7 0 35.70 4.90 13 -7 0 32.90 2.40 -13 7 0 32.60 4.60 -13 7 0 37.90 4.80 -13 7 0 29.30 6.00 -13 7 0 36.30 4.90 12 -7 0 0.20 1.50 12 -7 0 1.70 1.70 12 -7 0 -0.10 0.70 12 -7 0 1.90 0.70 12 -7 0 0.20 0.80 -12 7 0 -0.10 1.40 -12 7 0 -0.50 1.40 -12 7 0 0.90 1.00 -12 7 0 3.10 1.60 -12 7 0 1.40 1.40 -12 7 0 2.40 2.20 11 -7 0 59.59 5.90 11 -7 0 56.39 4.70 11 -7 0 69.09 3.10 11 -7 0 57.99 4.00 -11 7 0 59.59 4.90 -11 7 0 67.89 5.20 -11 7 0 68.19 5.30 -11 7 0 68.49 7.40 -11 7 0 70.09 5.10 -11 7 0 73.69 4.90 10 -7 0 114.49 7.90 10 -7 0 119.89 4.50 10 -7 0 115.49 5.40 10 -7 0 118.79 4.10 -10 7 0 109.89 5.90 -10 7 0 114.99 6.40 -10 7 0 112.19 6.40 -10 7 0 123.69 7.00 -10 7 0 118.59 9.40 -10 7 0 120.49 6.90 9 -7 0 512.65 12.50 9 -7 0 508.75 16.20 9 -7 0 522.15 12.70 9 -7 0 527.35 18.90 9 -7 0 513.65 14.60 -9 7 0 491.15 16.00 -9 7 0 471.35 19.30 -9 7 0 528.55 17.00 -9 7 0 527.15 16.10 -9 7 0 529.35 21.00 -9 7 0 534.05 17.00 8 -7 0 87.79 2.50 8 -7 0 87.59 4.10 8 -7 0 89.29 5.10 8 -7 0 93.59 2.80 8 -7 0 90.89 6.30 -8 7 0 88.49 5.00 -8 7 0 92.89 7.50 -8 7 0 90.79 5.50 -8 7 0 82.89 4.60 -8 7 0 92.59 5.00 -8 7 0 98.89 5.80 7 -7 0 2.40 1.30 7 -7 0 0.00 0.90 7 -7 0 0.70 0.70 -7 7 0 2.40 1.00 -7 7 0 3.80 2.00 -7 7 0 2.50 1.20 -7 7 0 1.60 0.80 -7 7 0 1.70 1.20 -7 7 0 1.40 1.20 6 -7 0 23.80 1.80 6 -7 0 22.50 2.60 6 -7 0 20.70 2.90 -6 7 0 19.00 3.20 -6 7 0 21.10 2.10 -6 7 0 20.60 2.10 -6 7 0 25.10 3.00 -6 7 0 23.30 2.00 5 -7 0 60.29 3.30 5 -7 0 56.09 4.30 5 -7 0 60.19 2.70 -5 7 0 58.59 2.90 -5 7 0 57.39 3.10 -5 7 0 61.49 5.10 -5 7 0 59.59 2.80 -5 7 0 57.19 3.90 -5 7 0 59.09 3.70 -5 7 0 56.89 2.60 4 -7 0 2.80 1.20 4 -7 0 2.30 0.90 4 -7 0 4.40 0.90 -4 7 0 2.90 1.10 -4 7 0 2.60 0.80 -4 7 0 1.50 1.30 -4 7 0 3.50 0.80 -4 7 0 4.40 1.20 -4 7 0 3.10 1.00 -4 7 0 3.90 0.70 -3 7 0 1.00 0.90 -3 7 0 1.40 0.70 -3 7 0 2.30 0.40 -3 7 0 1.90 0.60 -3 7 0 2.30 1.10 -3 7 0 1.40 1.10 -3 7 0 2.80 0.50 -3 7 0 1.50 0.90 -2 7 0 347.57 10.50 -2 7 0 350.36 9.20 -2 7 0 338.07 11.60 -2 7 0 348.17 9.70 -2 7 0 354.36 10.00 -1 7 0 486.75 13.50 -1 7 0 511.65 12.90 -1 7 0 499.55 12.70 -1 7 0 495.05 14.50 -1 7 0 491.45 12.60 0 -7 0 25.70 1.70 0 7 0 26.10 1.90 0 7 0 26.30 1.50 0 7 0 21.30 2.00 -1 -7 0 86.09 3.10 1 7 0 79.79 3.20 1 7 0 81.19 3.50 1 7 0 81.39 2.90 1 7 0 85.79 2.40 1 7 0 82.99 2.80 -2 -7 0 1905.31 44.00 2 7 0 1909.61 44.00 2 7 0 1940.91 44.10 2 7 0 1906.61 43.70 2 7 0 1935.61 44.50 -3 -7 0 461.75 11.70 3 7 0 458.95 10.90 3 7 0 457.25 12.60 3 7 0 450.15 11.90 -4 -7 0 353.06 9.30 -4 -7 0 345.57 9.00 -4 -7 0 343.87 8.30 4 7 0 331.77 9.90 4 7 0 350.76 10.60 -5 -7 0 581.24 14.60 -5 -7 0 568.84 13.50 -5 -7 0 566.44 14.40 5 7 0 522.85 20.00 5 7 0 564.54 16.00 5 7 0 551.44 15.40 5 7 0 539.75 15.10 -6 -7 0 57.79 3.00 -6 -7 0 61.19 2.60 -6 -7 0 57.09 3.30 6 7 0 58.09 3.80 6 7 0 58.49 4.10 6 7 0 63.99 3.80 6 7 0 61.39 6.10 6 7 0 53.89 3.40 -7 -7 0 13.10 1.80 -7 -7 0 20.40 2.50 -7 -7 0 17.70 1.50 7 7 0 21.20 1.80 7 7 0 12.90 2.70 7 7 0 19.50 2.90 7 7 0 14.60 2.30 7 7 0 21.40 4.30 7 7 0 17.60 2.60 -8 -7 0 27.30 2.50 -8 -7 0 34.40 2.40 -8 -7 0 39.20 3.20 -8 -7 0 34.70 2.40 8 7 0 34.90 6.00 8 7 0 31.70 3.20 8 7 0 33.60 3.50 8 7 0 35.30 3.90 8 7 0 32.70 3.80 8 7 0 35.20 2.60 -9 -7 0 45.50 3.10 -9 -7 0 42.70 2.80 -9 -7 0 40.60 3.50 -9 -7 0 47.50 3.30 9 7 0 42.40 4.00 9 7 0 43.20 4.60 9 7 0 57.29 7.80 9 7 0 36.20 3.70 9 7 0 37.20 3.00 9 7 0 39.50 3.70 -10 -7 0 382.16 12.30 -10 -7 0 373.36 12.10 -10 -7 0 380.26 11.40 -10 -7 0 379.26 13.10 10 7 0 368.66 12.10 10 7 0 379.16 13.80 10 7 0 359.56 13.80 10 7 0 348.77 17.50 10 7 0 378.66 13.50 10 7 0 357.36 15.00 -11 -7 0 130.79 7.10 -11 -7 0 137.29 6.60 -11 -7 0 140.79 6.00 -11 -7 0 139.39 6.70 11 7 0 143.19 10.90 11 7 0 143.29 7.90 11 7 0 135.49 7.60 11 7 0 140.79 6.50 11 7 0 137.89 8.80 -12 -7 0 2.60 1.60 -12 -7 0 2.40 1.20 -12 -7 0 1.10 1.00 -12 -7 0 0.40 1.10 12 7 0 0.40 1.50 12 7 0 5.70 2.00 12 7 0 0.90 1.10 12 7 0 -1.10 2.40 12 7 0 -0.30 1.10 12 7 0 1.40 1.90 -13 -7 0 80.89 5.50 -13 -7 0 71.39 5.60 -13 -7 0 71.39 4.50 -13 -7 0 66.99 4.80 13 7 0 62.99 8.70 13 7 0 72.19 4.90 13 7 0 65.09 5.80 13 7 0 68.79 5.90 -14 -7 0 6.60 2.30 -14 -7 0 5.40 2.30 14 7 0 8.60 3.00 14 7 0 3.70 2.10 14 7 0 8.00 3.90 14 -8 0 40.80 2.20 14 -8 0 47.60 8.50 14 -8 0 35.90 2.20 -14 8 0 49.10 6.00 -14 8 0 45.40 8.00 13 -8 0 24.40 2.10 13 -8 0 23.20 1.70 13 -8 0 36.90 4.80 13 -8 0 29.90 3.60 -13 8 0 25.30 3.70 -13 8 0 22.30 3.90 -13 8 0 24.80 4.20 -13 8 0 24.80 5.60 12 -8 0 29.80 5.00 12 -8 0 30.20 2.90 12 -8 0 29.40 1.70 12 -8 0 31.30 1.70 12 -8 0 27.60 4.00 -12 8 0 35.00 4.20 -12 8 0 18.40 4.60 -12 8 0 40.10 5.10 -12 8 0 34.10 4.60 -12 8 0 32.80 4.50 -12 8 0 36.20 5.00 11 -8 0 14.00 3.40 11 -8 0 17.40 2.40 11 -8 0 14.40 2.80 11 -8 0 15.60 1.00 11 -8 0 13.30 1.00 -11 8 0 11.70 3.60 -11 8 0 18.60 3.20 -11 8 0 17.60 3.10 10 -8 0 -0.40 1.20 10 -8 0 0.00 1.30 10 -8 0 0.00 0.80 -10 8 0 1.30 2.00 -10 8 0 -0.50 1.00 -10 8 0 -0.60 1.00 -10 8 0 0.60 1.00 -10 8 0 0.60 1.10 -10 8 0 -0.60 1.00 9 -8 0 0.80 0.80 9 -8 0 4.10 1.60 9 -8 0 0.60 1.30 -9 8 0 2.60 1.40 -9 8 0 0.90 1.20 -9 8 0 3.30 1.50 -9 8 0 1.80 1.10 -9 8 0 1.90 1.30 -9 8 0 1.40 3.70 8 -8 0 135.99 6.40 8 -8 0 133.79 5.20 8 -8 0 134.79 7.90 -8 8 0 128.99 9.10 -8 8 0 127.89 5.80 -8 8 0 132.19 6.10 -8 8 0 130.79 6.20 -8 8 0 127.79 6.90 -8 8 0 134.39 7.00 7 -8 0 92.89 3.90 7 -8 0 86.29 4.70 7 -8 0 86.89 6.00 -7 8 0 97.59 5.50 -7 8 0 85.29 4.20 -7 8 0 90.19 7.30 -7 8 0 91.49 5.50 -7 8 0 86.19 4.60 -7 8 0 83.29 4.40 6 -8 0 215.28 6.70 6 -8 0 212.08 7.60 6 -8 0 206.68 9.40 -6 8 0 207.38 7.40 -6 8 0 197.98 10.60 -6 8 0 205.58 8.00 -6 8 0 219.48 7.00 -6 8 0 208.88 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661.73 17.10 -5 9 0 674.13 19.20 -5 9 0 671.13 19.70 -5 9 0 660.93 18.20 -5 9 0 686.33 22.60 -4 9 0 106.19 5.40 -4 9 0 94.89 4.80 -4 9 0 95.79 3.50 -4 9 0 88.89 5.10 -4 9 0 104.39 4.70 -4 9 0 102.09 5.00 -4 9 0 91.99 6.40 -3 9 0 439.66 10.30 -3 9 0 427.46 11.80 -3 9 0 432.66 15.40 -3 9 0 446.76 13.70 -3 9 0 464.05 10.80 -3 9 0 447.56 13.10 -2 9 0 8.80 1.40 -2 9 0 5.80 1.80 -2 9 0 6.60 1.90 -2 9 0 8.40 1.20 -2 9 0 7.90 1.50 -2 9 0 8.00 1.60 -1 9 0 708.73 17.90 -1 9 0 692.03 17.20 -1 9 0 672.33 21.50 -1 9 0 681.13 21.70 -1 9 0 710.83 18.60 -1 9 0 680.13 20.20 0 9 0 294.27 7.80 0 9 0 297.87 12.70 0 9 0 316.27 7.30 0 9 0 316.37 8.30 0 9 0 302.37 10.20 0 9 0 321.27 8.90 0 9 0 315.17 9.40 -1 -9 0 2.00 0.60 1 9 0 0.10 0.70 1 9 0 3.30 0.90 1 9 0 2.50 0.60 1 9 0 0.10 1.00 1 9 0 1.90 0.40 1 9 0 3.00 0.70 -2 -9 0 132.59 4.40 2 9 0 124.49 4.40 2 9 0 128.79 4.10 2 9 0 134.69 4.80 2 9 0 127.09 4.70 2 9 0 127.89 8.30 -3 -9 0 19.30 1.50 3 9 0 23.40 2.10 3 9 0 24.80 2.10 3 9 0 18.40 3.90 -4 -9 0 183.88 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62.79 3.80 5 11 0 62.49 4.10 5 11 0 72.59 9.40 -6 -11 0 6.60 1.30 6 11 0 5.10 1.50 6 11 0 3.90 2.90 6 11 0 6.30 1.60 6 11 0 11.60 2.30 6 11 0 4.20 1.80 -7 -11 0 24.10 2.20 7 11 0 27.10 3.30 7 11 0 28.50 4.40 7 11 0 27.30 3.60 7 11 0 22.20 3.40 7 11 0 20.60 5.00 -8 -11 0 -0.50 0.70 -8 -11 0 0.70 0.50 -8 -11 0 0.70 0.40 8 11 0 -0.90 1.20 8 11 0 -0.60 0.90 8 11 0 2.30 1.50 8 11 0 3.70 2.60 8 11 0 0.60 1.40 -9 -11 0 1.60 0.60 -9 -11 0 1.80 1.10 -9 -11 0 2.80 0.80 9 11 0 2.60 2.60 9 11 0 6.20 2.20 9 11 0 6.80 2.00 9 11 0 -0.90 1.30 9 11 0 0.60 1.50 -10 -11 0 28.50 1.80 -10 -11 0 31.00 2.30 -10 -11 0 29.90 2.70 10 11 0 37.00 4.90 10 11 0 29.50 7.00 10 11 0 31.20 4.50 10 11 0 30.30 3.90 -11 -11 0 21.60 2.80 -11 -11 0 26.60 2.40 -11 -11 0 21.00 1.80 11 11 0 22.60 3.70 11 11 0 22.40 8.20 11 11 0 23.10 3.90 12 -12 0 92.99 5.10 12 -12 0 93.29 6.40 -12 12 0 91.39 6.10 -12 12 0 104.09 6.50 -12 12 0 84.39 11.40 -12 12 0 97.99 6.50 -12 12 0 103.89 8.30 11 -12 0 146.99 7.40 11 -12 0 135.09 6.20 -11 12 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394.76 10.60 -4 12 0 415.26 16.50 -4 12 0 412.66 10.10 -4 12 0 424.66 13.60 -4 12 0 407.56 13.90 -4 12 0 400.56 14.80 -4 12 0 396.86 11.70 -3 12 0 456.35 16.80 -3 12 0 449.46 12.60 -3 12 0 457.15 14.20 -3 12 0 471.35 14.80 -3 12 0 453.95 17.00 -3 12 0 441.06 11.20 -3 12 0 458.25 13.10 -2 12 0 264.97 6.70 -2 12 0 275.77 8.40 -2 12 0 258.67 11.30 -2 12 0 277.67 11.30 -2 12 0 258.37 6.60 -2 12 0 257.77 12.30 -1 12 0 5.40 1.40 -1 12 0 5.10 1.40 -1 12 0 6.80 0.60 -1 12 0 9.20 1.20 -1 12 0 6.20 1.30 -1 12 0 9.20 2.80 -1 12 0 5.20 1.80 0 12 0 141.79 4.60 0 12 0 137.19 5.90 0 12 0 143.29 5.70 0 12 0 138.89 3.90 0 12 0 147.09 9.50 0 12 0 145.89 4.60 0 12 0 138.39 5.70 0 12 0 150.48 7.00 1 12 0 132.79 5.20 1 12 0 133.29 9.40 1 12 0 132.09 4.70 1 12 0 124.09 4.20 1 12 0 124.69 4.10 1 12 0 122.59 5.10 1 12 0 130.09 5.90 2 12 0 443.66 12.40 2 12 0 430.76 12.20 2 12 0 434.96 11.90 2 12 0 420.86 18.80 2 12 0 432.16 11.60 -3 -12 0 92.29 3.90 3 12 0 104.69 17.80 3 12 0 98.29 4.70 3 12 0 97.79 4.20 3 12 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13.40 -2 13 0 582.44 21.10 -2 13 0 554.34 17.10 -1 13 0 301.47 14.30 -1 13 0 279.57 10.60 -1 13 0 295.67 11.80 -1 13 0 288.57 7.10 -1 13 0 287.47 9.10 -1 13 0 299.07 7.70 -1 13 0 302.07 10.10 -1 13 0 279.37 8.10 0 13 0 116.39 5.30 0 13 0 108.99 4.90 0 13 0 102.49 3.70 0 13 0 105.29 5.00 0 13 0 118.49 6.30 0 13 0 106.49 3.40 0 13 0 117.19 8.80 0 13 0 112.59 4.00 1 13 0 658.13 18.00 1 13 0 655.43 18.80 1 13 0 668.93 17.20 1 13 0 681.63 17.90 1 13 0 647.84 24.90 1 13 0 682.83 18.70 1 13 0 657.73 16.50 2 13 0 235.68 7.90 2 13 0 240.58 13.90 2 13 0 234.38 7.90 2 13 0 242.48 7.50 3 13 0 2.80 1.10 3 13 0 4.00 2.60 3 13 0 4.10 0.70 3 13 0 3.70 1.20 -4 -13 0 157.88 5.60 4 13 0 170.88 12.20 4 13 0 155.28 6.80 4 13 0 172.08 6.70 -5 -13 0 30.70 2.20 5 13 0 32.20 2.90 5 13 0 32.50 3.00 5 13 0 39.50 3.30 5 13 0 33.70 6.40 5 13 0 35.90 4.80 -6 -13 0 2.80 1.00 6 13 0 2.50 2.80 6 13 0 0.90 1.00 6 13 0 3.20 2.00 6 13 0 1.50 1.30 6 13 0 -0.50 1.20 -7 -13 0 22.40 2.20 7 13 0 20.00 3.00 7 13 0 23.20 5.80 7 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4.60 -4 14 0 62.29 6.10 -3 14 0 11.50 3.10 -3 14 0 12.00 1.80 -3 14 0 11.40 0.80 -3 14 0 12.30 2.30 -3 14 0 12.80 1.00 -3 14 0 15.60 2.20 -3 14 0 9.60 2.80 -3 14 0 14.30 2.60 -2 14 0 9.50 2.50 -2 14 0 13.10 1.40 -2 14 0 10.30 0.80 -2 14 0 13.50 2.50 -2 14 0 10.10 0.80 -2 14 0 10.00 2.10 -2 14 0 11.90 3.30 -2 14 0 10.00 1.70 -1 14 0 67.69 2.50 -1 14 0 62.19 2.20 -1 14 0 64.09 6.50 -1 14 0 65.59 5.10 -1 14 0 65.59 3.60 -1 14 0 68.79 4.20 -1 14 0 57.29 3.90 -1 14 0 63.49 2.80 0 14 0 7.10 1.50 0 14 0 8.60 1.10 0 14 0 9.80 1.20 0 14 0 6.30 1.30 0 14 0 6.80 1.00 0 14 0 11.70 2.40 0 14 0 5.40 1.40 1 14 0 28.00 2.70 1 14 0 35.20 6.40 1 14 0 27.50 2.40 1 14 0 31.90 2.10 1 14 0 29.20 1.90 1 14 0 24.00 2.30 1 14 0 30.30 2.90 2 14 0 81.99 4.00 2 14 0 76.79 4.10 2 14 0 82.19 3.70 2 14 0 78.49 3.60 2 14 0 76.49 8.10 3 14 0 53.09 3.30 3 14 0 52.49 2.20 3 14 0 58.69 8.50 3 14 0 52.49 3.50 4 14 0 47.20 7.60 4 14 0 56.79 3.70 4 14 0 61.39 4.00 -5 -14 0 29.10 2.10 5 14 0 24.70 5.40 5 14 0 41.70 4.50 5 14 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50.69 3.60 -3 15 0 45.10 6.20 -3 15 0 38.90 3.80 -3 15 0 43.70 3.90 -3 15 0 39.40 2.90 -3 15 0 42.50 5.50 -3 15 0 44.20 1.80 -2 15 0 0.80 1.20 -2 15 0 0.40 1.10 -2 15 0 -1.60 1.20 -2 15 0 -0.50 0.30 -2 15 0 0.60 0.80 -2 15 0 0.80 0.90 -2 15 0 0.00 0.30 -1 15 0 76.19 7.40 -1 15 0 78.39 5.60 -1 15 0 68.59 4.40 -1 15 0 70.29 3.90 -1 15 0 70.79 4.40 -1 15 0 68.79 2.60 -1 15 0 66.89 2.50 -1 15 0 71.69 2.90 0 15 0 27.10 1.80 0 15 0 29.80 2.50 0 15 0 34.40 3.00 0 15 0 28.40 2.80 0 15 0 30.30 5.80 1 15 0 30.40 6.20 1 15 0 28.10 2.40 1 15 0 30.90 2.80 1 15 0 28.30 2.20 1 15 0 26.70 2.60 1 15 0 31.90 2.80 2 15 0 1.40 1.00 2 15 0 2.50 0.80 2 15 0 0.50 2.40 2 15 0 0.20 0.80 2 15 0 0.30 0.70 2 15 0 0.70 0.90 3 15 0 19.60 5.40 3 15 0 17.40 2.20 3 15 0 17.40 2.40 3 15 0 18.60 1.10 3 15 0 21.20 2.50 4 15 0 88.79 6.50 4 15 0 85.39 4.90 4 15 0 90.49 4.90 4 15 0 91.79 9.70 5 15 0 49.00 9.40 5 15 0 39.50 3.50 5 15 0 35.70 7.40 5 15 0 33.40 3.40 5 15 0 31.50 3.10 -6 -15 0 76.59 3.50 6 15 0 81.69 5.40 6 15 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164.48 7.40 -8 -2 5 159.18 7.40 -8 -2 5 164.98 8.80 -8 -2 5 164.18 7.40 -8 -2 5 171.18 7.10 -8 -2 5 161.88 6.00 7 2 -5 40.20 3.30 7 2 -5 37.60 3.80 7 2 -5 35.20 3.60 7 2 -5 36.50 5.40 -7 -2 5 41.10 4.10 -7 -2 5 34.70 3.20 -7 -2 5 37.80 3.20 -7 -2 5 35.90 2.40 -7 -2 5 40.30 3.00 6 2 -5 20.70 3.40 6 2 -5 34.70 2.80 6 2 -5 27.60 4.60 6 2 -5 28.10 3.60 6 2 -5 25.50 3.20 -6 -2 5 25.80 3.40 -6 -2 5 28.30 2.00 -6 -2 5 22.90 2.80 -6 -2 5 23.80 2.20 -6 -2 5 25.90 3.70 5 2 -5 3.50 1.40 5 2 -5 0.50 0.80 5 2 -5 1.40 1.20 5 2 -5 -0.20 1.10 5 2 -5 1.60 1.00 -5 -2 5 3.30 1.40 -5 -2 5 1.00 0.90 -5 -2 5 1.80 0.80 -5 -2 5 1.60 0.90 -5 -2 5 1.60 1.50 4 2 -5 9.00 1.50 4 2 -5 15.80 3.00 4 2 -5 7.80 1.70 4 2 -5 10.10 1.90 4 2 -5 8.80 2.20 -4 -2 5 14.30 3.50 -4 -2 5 10.60 1.60 -4 -2 5 13.10 2.40 -4 -2 5 9.50 1.50 -4 -2 5 11.50 1.90 3 2 -5 29.20 2.50 3 2 -5 31.80 2.00 3 2 -5 29.50 3.10 3 2 -5 31.90 4.20 3 2 -5 33.00 2.70 -3 -2 5 28.40 2.30 -3 -2 5 23.20 3.80 -3 -2 5 31.30 2.10 -3 -2 5 31.80 2.50 -3 -2 5 31.80 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47.70 1.80 -3 2 -5 47.80 1.90 -3 2 -5 44.00 2.50 -3 2 -5 46.60 2.00 -3 2 -5 44.70 3.10 -3 2 -5 43.20 2.30 3 -2 5 41.10 3.30 3 -2 5 47.70 1.90 3 -2 5 46.20 1.80 3 -2 5 46.70 1.70 3 -2 5 47.50 2.60 3 -2 5 50.59 2.90 -4 2 -5 50.09 2.10 -4 2 -5 44.90 2.10 -4 2 -5 47.50 2.50 -4 2 -5 46.30 2.90 -4 2 -5 46.50 2.70 -4 2 -5 47.90 1.90 -4 2 -5 45.60 1.90 4 -2 5 49.60 2.30 4 -2 5 48.90 1.90 4 -2 5 46.70 3.30 4 -2 5 46.30 2.80 -5 2 -5 118.99 3.90 -5 2 -5 115.59 4.10 -5 2 -5 121.79 4.70 -5 2 -5 129.59 4.40 -5 2 -5 120.19 4.60 -5 2 -5 112.59 3.80 -5 2 -5 107.29 4.70 5 -2 5 121.09 4.70 5 -2 5 118.79 3.40 5 -2 5 120.79 5.20 5 -2 5 127.39 3.90 5 -2 5 114.39 4.40 5 -2 5 105.09 5.40 -6 2 -5 217.88 7.20 -6 2 -5 206.98 6.40 -6 2 -5 215.98 6.40 -6 2 -5 219.58 6.80 -6 2 -5 189.28 7.30 -6 2 -5 225.78 7.00 6 -2 5 205.38 7.20 6 -2 5 212.28 7.70 6 -2 5 209.18 7.00 6 -2 5 217.28 7.40 6 -2 5 212.68 6.30 6 -2 5 213.58 5.60 -7 2 -5 24.80 2.10 -7 2 -5 29.30 2.20 -7 2 -5 26.10 1.90 -7 2 -5 28.90 2.40 -7 2 -5 25.70 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20.50 2.60 -10 5 -9 21.40 3.90 -10 5 -9 18.80 2.80 -10 5 -9 14.20 2.00 10 -5 9 16.30 3.10 10 -5 9 16.10 2.70 10 -5 9 16.20 2.40 10 -5 9 21.10 3.70 -11 5 -9 42.70 3.30 -11 5 -9 52.79 7.40 -11 5 -9 50.99 3.10 -11 5 -9 51.29 3.80 -11 5 -9 49.10 3.90 -11 5 -9 50.19 4.80 11 -5 9 47.60 3.70 11 -5 9 44.10 4.20 11 -5 9 44.20 5.60 11 -5 9 45.90 4.20 -12 5 -9 17.40 3.40 -12 5 -9 20.60 2.80 -12 5 -9 24.40 4.40 -12 5 -9 18.30 4.80 -12 5 -9 19.80 2.40 -12 5 -9 21.40 3.20 12 -5 9 17.40 3.50 12 -5 9 17.40 2.80 12 -5 9 18.30 2.90 12 -5 9 11.30 2.30 -13 5 -9 16.10 4.30 -13 5 -9 26.00 2.60 -13 5 -9 24.20 3.20 -13 5 -9 19.40 3.40 -13 5 -9 27.80 4.90 13 -5 9 34.00 5.10 13 -5 9 27.50 3.60 13 -5 9 21.30 2.40 -14 5 -9 42.50 3.90 -14 5 -9 34.90 5.20 -14 5 -9 40.60 3.40 -14 5 -9 34.30 4.80 -14 5 -9 54.29 12.40 14 -5 9 43.50 4.30 14 -5 9 50.59 7.30 -15 5 -9 85.09 11.20 -15 5 -9 85.89 6.70 15 -5 9 80.19 7.30 15 -5 9 82.29 6.30 9 4 -9 1.70 1.20 9 4 -9 4.00 1.90 9 4 -9 5.60 4.20 -9 -4 9 -0.40 1.10 -9 -4 9 1.00 1.60 8 4 -9 38.80 6.60 8 4 -9 36.10 4.90 8 4 -9 34.90 3.10 8 4 -9 26.80 5.70 -8 -4 9 31.90 4.10 -8 -4 9 33.70 3.40 -8 -4 9 31.50 2.90 7 4 -9 14.20 3.30 7 4 -9 17.80 2.40 7 4 -9 8.60 3.40 7 4 -9 20.60 4.40 -7 -4 9 11.80 2.40 -7 -4 9 13.30 2.00 -7 -4 9 10.00 2.10 6 4 -9 58.19 7.30 6 4 -9 59.99 8.30 6 4 -9 68.59 5.90 6 4 -9 63.39 5.10 6 4 -9 59.19 3.40 -6 -4 9 63.39 4.20 -6 -4 9 57.99 2.20 -6 -4 9 58.39 3.40 -6 -4 9 59.39 2.50 -6 -4 9 63.79 4.10 5 4 -9 0.60 0.60 5 4 -9 2.90 1.90 5 4 -9 2.00 1.40 5 4 -9 2.20 2.10 5 4 -9 0.70 1.70 -5 -4 9 1.10 0.50 -5 -4 9 1.50 1.00 -5 -4 9 2.20 1.20 -5 -4 9 1.80 1.00 4 4 -9 1.70 2.20 4 4 -9 0.50 0.60 4 4 -9 0.40 1.50 4 4 -9 1.90 1.40 4 4 -9 -0.50 1.10 -4 -4 9 -0.10 0.40 -4 -4 9 0.70 0.70 -4 -4 9 0.40 0.80 -4 -4 9 0.50 0.80 3 4 -9 125.19 6.90 3 4 -9 126.89 6.50 3 4 -9 133.39 8.60 3 4 -9 133.69 9.50 -3 -4 9 122.69 4.20 -3 -4 9 124.99 5.20 -3 -4 9 127.29 5.00 -3 -4 9 127.09 4.40 2 4 -9 47.60 5.00 2 4 -9 43.10 6.00 2 4 -9 55.89 4.10 2 4 -9 51.99 4.10 -2 -4 9 49.60 2.60 -2 -4 9 44.00 6.50 -2 -4 9 52.59 2.20 -2 -4 9 45.80 2.70 -2 -4 9 51.49 2.90 1 4 -9 3.00 1.70 1 4 -9 2.20 1.30 1 4 -9 -0.10 1.00 1 4 -9 0.40 1.70 -1 -4 9 0.80 1.80 -1 -4 9 1.90 0.50 -1 -4 9 1.10 0.60 -1 -4 9 2.40 0.80 -1 -4 9 3.50 0.90 0 4 -9 79.79 6.70 0 4 -9 72.39 6.10 0 4 -9 84.49 4.20 0 4 -9 72.59 5.60 0 -4 9 79.29 2.80 0 -4 9 94.49 8.00 0 -4 9 79.49 2.90 0 -4 9 81.99 2.60 0 -4 9 81.79 4.40 -1 4 -9 0.30 1.40 -1 4 -9 1.80 1.00 -1 4 -9 0.50 1.00 -1 4 -9 1.60 0.90 1 -4 9 1.30 0.80 1 -4 9 2.80 1.90 1 -4 9 1.30 0.50 -2 4 -9 83.09 6.30 -2 4 -9 75.09 3.60 -2 4 -9 70.79 4.50 -2 4 -9 78.99 3.70 2 -4 9 82.09 7.00 2 -4 9 72.59 3.90 -3 4 -9 0.50 0.80 -3 4 -9 1.50 0.60 -3 4 -9 0.50 0.70 -3 4 -9 1.00 1.00 -3 4 -9 2.20 1.60 -3 4 -9 0.80 0.70 3 -4 9 0.20 0.70 3 -4 9 0.80 1.80 -4 4 -9 24.50 1.80 -4 4 -9 23.30 1.70 -4 4 -9 22.60 1.60 -4 4 -9 19.10 2.50 -4 4 -9 22.30 3.60 -4 4 -9 22.70 2.10 4 -4 9 19.50 3.50 4 -4 9 23.70 2.80 -5 4 -9 139.29 7.20 -5 4 -9 138.09 4.80 -5 4 -9 135.49 6.30 -5 4 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30.70 3.30 -11 4 -9 6.10 3.20 -11 4 -9 4.60 1.30 -11 4 -9 6.10 1.80 -11 4 -9 6.50 1.60 11 -4 9 3.90 1.50 11 -4 9 6.60 1.90 11 -4 9 4.40 2.10 11 -4 9 6.90 1.90 -12 4 -9 5.70 1.70 -12 4 -9 17.10 3.70 -12 4 -9 6.20 1.60 -12 4 -9 6.80 1.90 -12 4 -9 3.40 2.20 12 -4 9 9.40 2.10 12 -4 9 7.90 2.80 12 -4 9 9.70 2.40 12 -4 9 7.50 2.10 -13 4 -9 29.30 4.10 -13 4 -9 23.90 4.30 -13 4 -9 20.60 3.10 -13 4 -9 18.50 2.60 -13 4 -9 19.30 4.60 13 -4 9 24.50 3.60 13 -4 9 25.60 4.10 13 -4 9 21.90 2.90 13 -4 9 30.50 4.00 -14 4 -9 10.10 2.80 -14 4 -9 12.20 3.00 -14 4 -9 11.10 2.20 -14 4 -9 13.10 4.00 -14 4 -9 9.40 1.90 14 -4 9 7.70 2.10 14 -4 9 12.90 3.50 -15 4 -9 1.90 2.20 -15 4 -9 0.90 1.70 -15 4 -9 1.40 1.70 15 -4 9 -0.30 1.70 15 -4 9 1.50 1.80 9 3 -9 1.50 2.40 9 3 -9 4.50 3.10 9 3 -9 0.30 1.80 9 3 -9 6.70 3.30 -9 -3 9 1.50 1.30 -9 -3 9 0.60 1.40 -9 -3 9 1.50 0.80 -9 -3 9 0.30 0.50 -9 -3 9 0.70 1.60 8 3 -9 20.70 2.80 8 3 -9 20.90 5.60 8 3 -9 19.90 3.70 8 3 -9 13.40 4.40 -8 -3 9 18.40 3.30 -8 -3 9 20.00 3.00 -8 -3 9 22.30 1.80 -8 -3 9 19.00 2.70 -8 -3 9 18.00 2.00 7 3 -9 41.80 6.30 7 3 -9 30.70 5.80 7 3 -9 36.10 3.10 7 3 -9 39.20 4.80 7 3 -9 47.10 5.80 -7 -3 9 29.90 2.20 -7 -3 9 38.60 3.70 -7 -3 9 39.70 3.50 -7 -3 9 31.90 3.30 6 3 -9 74.59 7.20 6 3 -9 72.49 5.50 6 3 -9 66.69 5.70 6 3 -9 62.69 3.70 6 3 -9 63.49 7.10 -6 -3 9 73.39 4.70 -6 -3 9 71.39 4.60 -6 -3 9 72.69 4.00 5 3 -9 144.29 10.00 5 3 -9 130.49 7.20 5 3 -9 148.09 9.80 5 3 -9 131.89 5.20 5 3 -9 139.49 7.90 -5 -3 9 132.69 6.20 -5 -3 9 133.79 5.40 -5 -3 9 147.29 6.60 4 3 -9 10.40 2.50 4 3 -9 8.70 3.00 4 3 -9 11.70 3.20 -4 -3 9 9.50 3.90 -4 -3 9 7.90 1.30 -4 -3 9 8.80 1.50 -4 -3 9 9.70 1.80 3 3 -9 35.40 5.20 3 3 -9 29.30 1.60 3 3 -9 36.40 3.40 3 3 -9 25.10 4.40 3 3 -9 37.20 3.50 -3 -3 9 25.70 2.50 -3 -3 9 26.10 1.90 -3 -3 9 35.30 3.10 -3 -3 9 28.00 1.90 -3 -3 9 17.00 3.80 2 3 -9 27.70 4.80 2 3 -9 23.50 3.10 2 3 -9 26.10 3.30 2 3 -9 40.70 5.60 -2 -3 9 23.80 5.40 -2 -3 9 24.00 1.80 -2 -3 9 23.80 1.60 -2 -3 9 22.70 2.20 -2 -3 9 26.10 2.10 1 3 -9 187.88 10.30 1 3 -9 195.38 9.80 1 3 -9 195.78 7.90 -1 -3 9 175.88 6.50 -1 -3 9 187.78 6.20 -1 -3 9 184.78 5.40 -1 -3 9 188.98 6.10 -1 -3 9 189.88 11.50 0 3 -9 11.90 3.10 0 3 -9 5.80 1.80 0 3 -9 10.00 2.20 0 3 -9 10.50 1.80 0 -3 9 13.50 1.20 0 -3 9 10.40 1.60 0 -3 9 11.20 1.10 0 -3 9 6.60 2.50 0 -3 9 11.90 1.50 -1 3 -9 69.79 5.90 -1 3 -9 77.19 3.90 -1 3 -9 75.09 3.70 -1 3 -9 70.29 4.50 -1 3 -9 80.99 5.70 1 -3 9 69.49 6.50 1 -3 9 72.09 3.10 1 -3 9 69.29 2.50 1 -3 9 68.19 2.70 1 -3 9 64.99 3.50 -2 3 -9 2.10 0.90 -2 3 -9 1.00 1.10 -2 3 -9 0.80 0.80 -2 3 -9 0.90 0.60 -2 3 -9 -0.40 1.40 2 -3 9 -0.10 1.30 2 -3 9 1.40 0.90 2 -3 9 1.10 0.40 2 -3 9 0.80 0.50 2 -3 9 1.20 0.50 -3 3 -9 11.90 1.30 -3 3 -9 14.40 3.00 -3 3 -9 11.20 1.50 -3 3 -9 11.90 1.60 -3 3 -9 11.40 2.10 -3 3 -9 14.20 1.80 3 -3 9 13.30 1.90 3 -3 9 15.10 0.90 3 -3 9 18.50 3.90 -4 3 -9 147.19 7.50 -4 3 -9 143.39 5.00 -4 3 -9 137.99 6.20 -4 3 -9 155.48 5.70 -4 3 -9 142.99 5.20 -4 3 -9 153.58 5.00 4 -3 9 185.98 14.40 4 -3 9 145.09 6.10 -5 3 -9 14.00 1.80 -5 3 -9 9.40 1.90 -5 3 -9 14.30 1.30 -5 3 -9 14.10 2.30 -5 3 -9 13.30 1.50 -5 3 -9 13.00 2.50 5 -3 9 12.70 0.90 5 -3 9 14.90 3.10 5 -3 9 12.10 2.10 -6 3 -9 6.50 1.90 -6 3 -9 3.70 1.30 -6 3 -9 4.40 1.00 -6 3 -9 6.00 1.20 -6 3 -9 5.80 1.40 -6 3 -9 5.60 1.00 6 -3 9 9.80 2.60 6 -3 9 4.40 1.50 6 -3 9 5.10 1.00 -7 3 -9 102.29 3.90 -7 3 -9 96.79 5.40 -7 3 -9 113.19 5.80 -7 3 -9 114.39 4.60 -7 3 -9 115.09 5.10 -7 3 -9 100.29 4.20 7 -3 9 113.09 4.60 7 -3 9 85.29 5.30 7 -3 9 95.89 6.50 7 -3 9 102.69 5.70 -8 3 -9 44.50 3.80 -8 3 -9 39.90 2.80 -8 3 -9 41.00 2.70 -8 3 -9 39.20 2.30 -8 3 -9 42.20 3.20 -8 3 -9 47.30 3.30 8 -3 9 42.00 4.20 8 -3 9 41.90 3.80 8 -3 9 32.80 3.20 8 -3 9 40.40 1.50 8 -3 9 39.80 1.50 -9 3 -9 58.69 3.60 -9 3 -9 57.69 3.80 -9 3 -9 61.99 3.10 -9 3 -9 58.39 3.60 -9 3 -9 65.59 4.10 -9 3 -9 58.59 4.60 9 -3 9 60.69 3.80 9 -3 9 58.79 4.70 9 -3 9 59.39 4.70 9 -3 9 56.59 2.30 9 -3 9 57.79 4.20 -10 3 -9 57.99 4.00 -10 3 -9 39.20 4.00 -10 3 -9 46.60 3.30 -10 3 -9 44.70 2.80 -10 3 -9 40.90 3.30 -10 3 -9 37.80 5.30 10 -3 9 42.20 3.80 10 -3 9 41.80 1.90 10 -3 9 46.00 3.70 10 -3 9 51.89 4.60 10 -3 9 44.00 2.20 10 -3 9 42.00 3.50 -11 3 -9 12.10 1.80 -11 3 -9 14.10 3.40 -11 3 -9 17.40 2.50 -11 3 -9 15.60 3.30 -11 3 -9 16.40 2.70 -11 3 -9 14.90 2.60 11 -3 9 13.90 2.60 11 -3 9 13.80 3.30 11 -3 9 13.50 1.10 11 -3 9 16.50 1.70 11 -3 9 15.90 2.70 11 -3 9 14.00 2.30 -12 3 -9 2.30 1.40 -12 3 -9 -0.20 1.20 -12 3 -9 2.80 1.10 -12 3 -9 -0.40 1.50 -12 3 -9 1.30 1.10 12 -3 9 2.40 0.70 12 -3 9 2.30 1.20 12 -3 9 1.70 1.70 12 -3 9 3.70 1.70 -13 3 -9 42.60 4.10 -13 3 -9 40.90 3.70 -13 3 -9 44.50 4.90 -13 3 -9 36.60 6.60 -13 3 -9 41.90 3.30 -13 3 -9 51.79 4.30 13 -3 9 41.90 2.10 13 -3 9 40.60 3.90 13 -3 9 35.60 3.40 13 -3 9 40.50 3.50 13 -3 9 39.40 4.10 13 -3 9 38.10 5.30 -14 3 -9 35.60 5.50 -14 3 -9 31.10 3.00 -14 3 -9 21.50 5.30 -14 3 -9 22.30 3.10 -14 3 -9 23.10 4.00 14 -3 9 28.50 1.80 14 -3 9 33.10 4.30 14 -3 9 29.20 2.30 14 -3 9 25.80 4.50 14 -3 9 27.50 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2 4 -10 36.80 4.40 2 4 -10 42.30 6.50 -2 -4 10 47.50 8.90 -2 -4 10 40.50 2.50 -2 -4 10 40.30 2.50 -2 -4 10 38.40 2.40 1 4 -10 89.69 5.50 1 4 -10 95.59 5.00 1 4 -10 92.29 7.10 1 4 -10 93.99 7.80 -1 -4 10 92.79 3.80 -1 -4 10 90.59 4.10 -1 -4 10 95.09 3.30 -1 -4 10 96.19 3.50 -1 -4 10 101.59 9.00 0 4 -10 118.89 6.70 0 4 -10 118.99 7.80 0 4 -10 115.79 5.40 0 4 -10 122.69 6.00 0 4 -10 116.39 8.40 0 -4 10 118.09 5.00 0 -4 10 122.89 3.60 0 -4 10 120.29 4.00 0 -4 10 112.39 9.20 0 -4 10 124.19 3.80 -1 4 -10 16.20 2.60 -1 4 -10 18.40 2.60 -1 4 -10 19.40 2.30 -1 4 -10 16.70 3.10 -1 4 -10 14.10 4.70 1 -4 10 20.10 2.40 1 -4 10 18.40 4.70 1 -4 10 17.20 1.20 -2 4 -10 33.80 2.80 -2 4 -10 29.00 4.70 -2 4 -10 40.30 2.70 -2 4 -10 45.30 6.30 2 -4 10 44.00 6.90 2 -4 10 38.50 2.90 -3 4 -10 4.50 1.90 -3 4 -10 6.90 1.30 -3 4 -10 3.30 2.20 -3 4 -10 3.80 1.10 3 -4 10 3.50 2.10 3 -4 10 3.90 1.30 -4 4 -10 28.90 3.80 -4 4 -10 18.40 1.50 -4 4 -10 21.00 1.80 -4 4 -10 14.70 2.90 -4 4 -10 16.60 1.70 -4 4 -10 14.50 2.00 4 -4 10 21.50 4.50 4 -4 10 18.80 2.70 -5 4 -10 0.70 1.50 -5 4 -10 0.10 0.50 -5 4 -10 -0.40 0.70 -5 4 -10 -0.30 0.60 -5 4 -10 0.30 0.60 -5 4 -10 0.20 1.20 5 -4 10 0.80 1.10 5 -4 10 0.00 1.40 -6 4 -10 5.20 2.50 -6 4 -10 6.10 1.10 -6 4 -10 7.00 1.30 -6 4 -10 5.30 2.20 -6 4 -10 8.10 1.60 -6 4 -10 6.30 1.30 6 -4 10 4.80 2.30 6 -4 10 5.90 1.80 6 -4 10 7.00 0.60 -7 4 -10 192.58 8.40 -7 4 -10 197.78 8.70 -7 4 -10 203.58 6.90 -7 4 -10 194.08 7.50 -7 4 -10 199.48 6.70 7 -4 10 187.88 8.50 7 -4 10 197.38 6.00 7 -4 10 205.28 10.70 -8 4 -10 44.30 2.90 -8 4 -10 38.70 3.80 -8 4 -10 37.60 3.20 -8 4 -10 37.10 2.70 -8 4 -10 42.60 2.40 -8 4 -10 31.80 3.30 8 -4 10 37.60 5.00 8 -4 10 42.40 2.60 -9 4 -10 25.50 2.00 -9 4 -10 26.00 3.70 -9 4 -10 26.50 2.50 -9 4 -10 27.60 2.80 -9 4 -10 22.40 2.60 -9 4 -10 20.50 2.20 9 -4 10 20.90 3.20 9 -4 10 28.40 2.40 9 -4 10 33.00 4.70 9 -4 10 27.40 3.80 -10 4 -10 3.80 1.40 -10 4 -10 3.20 1.30 -10 4 -10 2.40 0.90 -10 4 -10 6.70 2.30 -10 4 -10 3.90 2.30 -10 4 -10 4.30 1.30 -10 4 -10 6.50 2.00 10 -4 10 4.30 2.00 10 -4 10 3.20 1.20 10 -4 10 2.90 1.80 10 -4 10 4.30 1.70 -11 4 -10 39.90 3.50 -11 4 -10 49.40 6.90 -11 4 -10 43.40 4.40 -11 4 -10 40.50 3.20 -11 4 -10 38.10 2.80 -11 4 -10 52.39 4.00 11 -4 10 37.00 3.30 11 -4 10 37.50 4.20 11 -4 10 40.70 3.90 11 -4 10 47.60 4.90 -12 4 -10 39.10 3.00 -12 4 -10 49.60 4.10 -12 4 -10 41.60 3.50 -12 4 -10 42.90 4.00 -12 4 -10 45.60 4.90 -12 4 -10 52.59 7.60 12 -4 10 42.80 4.10 12 -4 10 41.60 5.40 12 -4 10 44.80 3.90 12 -4 10 44.20 4.20 -13 4 -10 6.50 2.80 -13 4 -10 6.30 2.00 -13 4 -10 7.90 1.90 -13 4 -10 7.40 1.90 -13 4 -10 10.90 2.50 13 -4 10 7.70 2.40 13 -4 10 9.50 2.40 13 -4 10 10.00 2.30 -14 4 -10 8.30 2.20 -14 4 -10 9.20 1.90 -14 4 -10 10.40 3.50 -14 4 -10 7.50 2.50 -14 4 -10 5.10 3.10 14 -4 10 8.80 3.20 14 -4 10 5.80 1.80 14 -4 10 8.60 2.50 -15 4 -10 7.30 2.50 -15 4 -10 10.40 3.20 -15 4 -10 6.90 3.80 15 -4 10 9.30 3.00 15 -4 10 8.10 2.40 8 3 -10 21.30 2.70 8 3 -10 26.60 5.70 8 3 -10 22.70 3.90 -8 -3 10 21.10 1.80 -8 -3 10 27.20 3.80 -8 -3 10 28.20 3.90 -8 -3 10 29.40 2.90 -8 -3 10 20.80 1.70 7 3 -10 8.00 2.50 7 3 -10 5.40 1.30 7 3 -10 9.70 3.20 7 3 -10 6.40 3.40 -7 -3 10 5.40 1.90 -7 -3 10 5.10 1.10 -7 -3 10 7.20 1.70 -7 -3 10 5.10 1.90 6 3 -10 6.20 2.40 6 3 -10 7.30 3.20 6 3 -10 8.90 2.50 6 3 -10 3.90 2.80 6 3 -10 7.40 1.40 -6 -3 10 8.90 2.10 -6 -3 10 4.70 1.20 -6 -3 10 6.40 1.90 -6 -3 10 6.90 1.00 5 3 -10 240.18 11.10 5 3 -10 238.78 7.90 5 3 -10 229.38 13.10 5 3 -10 216.48 12.80 5 3 -10 243.88 10.40 -5 -3 10 221.68 6.80 -5 -3 10 232.08 9.00 -5 -3 10 231.48 8.80 -5 -3 10 227.98 7.70 -5 -3 10 219.18 14.60 4 3 -10 24.10 4.90 4 3 -10 21.70 4.50 4 3 -10 18.80 3.50 4 3 -10 18.70 3.20 -4 -3 10 23.70 3.00 -4 -3 10 22.70 1.90 -4 -3 10 21.40 1.80 -4 -3 10 21.50 2.30 -4 -3 10 11.70 3.70 3 3 -10 17.70 3.00 3 3 -10 19.80 4.30 3 3 -10 19.30 3.40 3 3 -10 13.30 3.60 -3 -3 10 17.60 4.80 -3 -3 10 15.10 2.10 -3 -3 10 18.30 2.30 -3 -3 10 18.50 1.70 2 3 -10 173.58 8.30 2 3 -10 184.68 10.80 2 3 -10 186.98 10.60 -2 -3 10 185.68 6.60 -2 -3 10 185.08 6.20 -2 -3 10 180.48 5.70 -2 -3 10 185.48 12.30 -2 -3 10 194.58 7.10 1 3 -10 49.20 5.60 1 3 -10 48.10 3.80 1 3 -10 42.30 3.20 1 3 -10 34.10 4.90 -1 -3 10 36.20 6.30 -1 -3 10 45.30 2.90 -1 -3 10 40.80 2.60 -1 -3 10 42.00 2.10 0 3 -10 13.00 3.60 0 3 -10 7.00 2.50 0 3 -10 10.90 2.00 0 3 -10 11.10 2.20 0 3 -10 12.30 2.70 0 -3 10 11.20 1.10 0 -3 10 12.20 3.60 0 -3 10 11.50 1.20 0 -3 10 10.80 1.60 0 -3 10 9.80 1.60 -1 3 -10 31.30 2.70 -1 3 -10 29.00 3.90 -1 3 -10 29.40 3.10 -1 3 -10 25.50 2.40 -1 3 -10 19.90 3.60 1 -3 10 27.70 2.00 1 -3 10 34.70 5.90 1 -3 10 30.20 1.60 1 -3 10 27.60 2.30 1 -3 10 28.50 1.70 -2 3 -10 15.90 2.00 -2 3 -10 10.00 1.90 -2 3 -10 9.40 2.70 2 -3 10 12.70 1.90 2 -3 10 10.70 1.00 2 -3 10 6.40 2.50 2 -3 10 10.60 1.30 2 -3 10 11.00 1.20 -3 3 -10 89.29 6.40 -3 3 -10 87.39 3.90 -3 3 -10 88.39 5.00 -3 3 -10 84.89 4.10 -3 3 -10 90.89 4.00 3 -3 10 88.59 4.00 3 -3 10 91.69 2.90 3 -3 10 97.99 7.60 3 -3 10 85.39 4.50 -4 3 -10 152.38 5.30 -4 3 -10 146.69 5.20 -4 3 -10 136.59 6.50 -4 3 -10 151.18 5.90 -4 3 -10 143.29 5.30 -4 3 -10 144.09 7.80 4 -3 10 143.79 3.80 4 -3 10 140.69 3.90 4 -3 10 137.99 9.00 4 -3 10 141.89 6.20 -5 3 -10 14.90 1.70 -5 3 -10 13.50 1.40 -5 3 -10 20.70 3.00 -5 3 -10 14.50 3.00 -5 3 -10 17.00 1.70 -5 3 -10 11.80 1.80 5 -3 10 12.10 2.10 5 -3 10 15.90 3.50 -6 3 -10 48.20 2.70 -6 3 -10 47.20 2.90 -6 3 -10 48.90 2.50 -6 3 -10 46.10 4.20 -6 3 -10 50.59 3.30 -6 3 -10 55.69 4.00 6 -3 10 47.10 5.00 6 -3 10 58.29 4.10 6 -3 10 49.40 2.20 -7 3 -10 31.40 3.40 -7 3 -10 29.90 2.70 -7 3 -10 31.20 2.30 -7 3 -10 31.30 2.40 -7 3 -10 35.50 3.40 7 -3 10 29.50 3.60 7 -3 10 32.60 4.90 7 -3 10 30.00 2.10 -8 3 -10 100.69 6.70 -8 3 -10 94.99 4.90 -8 3 -10 95.49 4.50 -8 3 -10 98.49 3.90 -8 3 -10 96.89 4.50 -8 3 -10 97.79 5.40 8 -3 10 101.09 5.90 8 -3 10 99.29 7.00 8 -3 10 92.19 5.80 8 -3 10 91.79 4.30 -9 3 -10 52.59 3.70 -9 3 -10 45.90 2.70 -9 3 -10 51.39 4.40 -9 3 -10 49.40 3.50 -9 3 -10 49.00 3.80 -9 3 -10 48.80 3.30 9 -3 10 56.69 3.60 9 -3 10 44.10 4.50 9 -3 10 51.19 4.40 9 -3 10 45.50 3.90 -10 3 -10 94.69 5.20 -10 3 -10 86.19 6.00 -10 3 -10 90.89 4.90 -10 3 -10 86.79 4.60 -10 3 -10 87.19 4.00 -10 3 -10 83.19 4.50 -10 3 -10 96.49 7.30 10 -3 10 91.79 2.80 10 -3 10 91.29 5.00 10 -3 10 76.99 5.60 10 -3 10 91.69 6.20 10 -3 10 76.59 5.20 -11 3 -10 6.80 3.00 -11 3 -10 6.10 1.30 -11 3 -10 8.20 2.40 -11 3 -10 6.70 1.90 -11 3 -10 9.00 2.50 -11 3 -10 6.60 1.60 11 -3 10 5.10 2.20 11 -3 10 9.20 2.40 11 -3 10 6.50 1.80 11 -3 10 6.90 0.90 -12 3 -10 75.49 5.00 -12 3 -10 72.49 4.60 -12 3 -10 76.69 6.00 -12 3 -10 70.99 4.00 -12 3 -10 61.39 6.80 -12 3 -10 72.59 5.10 12 -3 10 71.49 3.00 12 -3 10 66.99 4.80 12 -3 10 82.29 5.60 12 -3 10 75.29 5.10 12 -3 10 79.59 6.20 12 -3 10 70.09 2.70 -13 3 -10 14.00 3.50 -13 3 -10 15.80 2.40 -13 3 -10 14.90 3.00 -13 3 -10 19.20 3.80 -13 3 -10 17.90 2.90 13 -3 10 17.90 1.80 13 -3 10 21.60 3.30 13 -3 10 22.70 3.90 13 -3 10 14.70 2.90 13 -3 10 17.50 3.20 13 -3 10 14.90 1.20 -14 3 -10 171.58 8.00 -14 3 -10 165.68 10.10 -14 3 -10 174.48 7.30 -14 3 -10 173.28 12.40 -14 3 -10 170.38 8.90 14 -3 10 164.08 7.70 14 -3 10 159.78 5.10 14 -3 10 171.88 8.90 14 -3 10 185.08 10.20 -15 3 -10 24.90 5.50 -15 3 -10 50.69 9.00 -15 3 -10 41.00 5.60 15 -3 10 28.60 3.10 15 -3 10 44.20 5.10 15 -3 10 32.20 5.30 15 -3 10 34.20 1.90 9 2 -10 11.00 5.60 8 2 -10 0.30 1.10 8 2 -10 2.30 2.60 8 2 -10 1.70 1.80 8 2 -10 1.60 2.20 -8 -2 10 1.10 0.90 -8 -2 10 3.30 1.40 -8 -2 10 0.60 1.00 -8 -2 10 0.00 1.40 -8 -2 10 3.20 1.60 -8 -2 10 -0.70 0.60 7 2 -10 11.80 2.90 7 2 -10 7.90 3.50 7 2 -10 14.00 2.10 7 2 -10 10.10 3.50 -7 -2 10 11.00 2.30 -7 -2 10 11.50 2.20 -7 -2 10 13.90 2.90 -7 -2 10 10.20 1.30 -7 -2 10 11.80 2.10 -7 -2 10 11.70 1.90 6 2 -10 9.70 2.80 6 2 -10 11.40 1.80 6 2 -10 10.90 2.80 6 2 -10 13.50 4.00 6 2 -10 11.30 3.30 -6 -2 10 8.90 3.90 -6 -2 10 9.50 1.70 -6 -2 10 12.70 2.50 -6 -2 10 11.10 1.40 -6 -2 10 9.00 1.80 -6 -2 10 17.00 2.70 5 2 -10 66.79 7.20 5 2 -10 72.99 3.60 5 2 -10 78.49 7.40 5 2 -10 71.89 7.00 5 2 -10 71.39 5.40 -5 -2 10 69.19 7.90 -5 -2 10 73.39 3.30 -5 -2 10 83.69 5.10 -5 -2 10 72.29 3.90 -5 -2 10 74.99 4.70 -5 -2 10 71.19 3.70 4 2 -10 27.40 4.90 4 2 -10 28.00 4.40 4 2 -10 14.60 3.70 4 2 -10 27.90 1.90 4 2 -10 37.20 3.80 -4 -2 10 24.10 2.20 -4 -2 10 30.90 3.50 -4 -2 10 26.40 5.90 -4 -2 10 26.60 2.70 -4 -2 10 28.20 2.00 -4 -2 10 26.70 2.00 3 2 -10 4.60 2.30 3 2 -10 6.30 2.70 3 2 -10 5.50 2.00 -3 -2 10 3.80 1.00 -3 -2 10 4.10 1.30 -3 -2 10 5.50 1.50 -3 -2 10 4.60 0.90 -3 -2 10 4.30 2.80 -3 -2 10 3.10 1.00 2 2 -10 23.20 4.30 2 2 -10 33.50 3.90 2 2 -10 31.60 5.10 2 2 -10 22.60 3.00 -2 -2 10 27.10 1.90 -2 -2 10 21.10 4.20 -2 -2 10 27.30 1.50 -2 -2 10 28.80 2.40 -2 -2 10 25.00 1.90 -2 -2 10 26.50 2.60 1 2 -10 84.79 5.10 1 2 -10 88.99 6.90 1 2 -10 86.79 4.60 1 2 -10 82.69 6.60 -1 -2 10 82.59 4.00 -1 -2 10 83.79 3.30 -1 -2 10 77.19 7.30 -1 -2 10 85.89 4.40 -1 -2 10 83.29 3.80 0 2 -10 258.27 12.00 0 2 -10 259.67 9.40 0 2 -10 247.38 8.60 0 2 -10 231.38 11.40 0 2 -10 260.97 10.10 0 -2 10 253.37 8.00 0 -2 10 240.88 13.10 0 -2 10 263.87 8.60 0 -2 10 252.57 7.80 0 -2 10 256.37 7.10 -1 2 -10 -0.30 1.40 -1 2 -10 -0.30 0.80 -1 2 -10 0.90 0.70 -1 2 -10 0.50 0.80 -1 2 -10 0.40 1.00 1 -2 10 -0.30 0.50 1 -2 10 0.60 0.80 1 -2 10 0.00 0.60 1 -2 10 0.70 1.60 -2 2 -10 59.29 5.20 -2 2 -10 53.29 4.00 -2 2 -10 49.20 3.10 -2 2 -10 45.00 3.50 -2 2 -10 50.89 3.00 2 -2 10 50.29 2.60 2 -2 10 49.70 3.10 2 -2 10 48.80 2.80 2 -2 10 56.39 5.70 2 -2 10 47.50 2.50 -3 2 -10 201.88 9.50 -3 2 -10 215.28 7.10 -3 2 -10 201.78 6.70 -3 2 -10 202.08 7.90 -3 2 -10 204.78 7.00 3 -2 10 199.88 7.60 3 -2 10 207.88 6.70 3 -2 10 213.08 6.00 3 -2 10 200.38 10.90 3 -2 10 190.78 7.30 -4 2 -10 1.00 0.80 -4 2 -10 0.40 0.70 -4 2 -10 0.00 0.90 -4 2 -10 1.80 0.80 -4 2 -10 1.10 1.50 4 -2 10 0.30 1.20 4 -2 10 0.60 0.40 4 -2 10 0.90 0.90 4 -2 10 1.20 0.60 -5 2 -10 -0.20 0.70 -5 2 -10 -0.20 0.50 -5 2 -10 -0.70 0.60 -5 2 -10 0.80 0.70 -5 2 -10 0.60 1.40 -5 2 -10 1.00 0.60 5 -2 10 0.00 0.50 5 -2 10 1.30 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104.99 5.70 7 9 18 99.89 6.20 -8 -9 -18 5.80 2.00 -8 -9 -18 2.90 2.10 8 9 18 2.40 1.90 8 9 18 3.90 1.60 8 9 18 5.00 2.10 -9 -9 -18 4.00 1.80 -9 -9 -18 5.60 2.90 9 9 18 3.70 1.70 9 9 18 3.40 1.70 9 9 18 2.70 1.90 -10 -9 -18 0.40 1.70 -10 -9 -18 0.10 1.50 10 9 18 2.60 2.00 10 9 18 1.70 1.60 -11 -9 -18 15.80 3.60 -11 -9 -18 18.70 3.60 11 9 18 16.60 3.20 11 9 18 20.30 3.60 11 9 18 13.70 2.90 11 9 18 19.20 3.30 -1 -10 -18 2.20 1.60 -1 -10 -18 2.70 2.00 -1 -10 -18 5.60 1.70 1 10 18 8.30 2.80 1 10 18 3.90 1.50 1 10 18 3.10 1.80 -2 -10 -18 1.20 1.10 -2 -10 -18 -0.80 1.20 -2 -10 -18 1.00 1.60 2 10 18 2.70 1.90 2 10 18 1.70 1.10 2 10 18 1.00 1.50 -3 -10 -18 5.40 1.70 -3 -10 -18 8.70 3.90 3 10 18 1.20 1.50 3 10 18 0.90 1.70 3 10 18 0.90 2.50 3 10 18 3.50 1.80 -4 -10 -18 13.90 2.60 -4 -10 -18 14.10 2.70 4 10 18 12.50 2.40 4 10 18 17.10 3.30 4 10 18 10.70 2.50 -5 -10 -18 21.30 3.30 -5 -10 -18 26.50 3.60 5 10 18 26.20 4.00 5 10 18 25.50 3.40 5 10 18 22.10 4.00 5 10 18 23.00 3.00 -6 -10 -18 28.80 3.80 -6 -10 -18 22.80 3.40 6 10 18 29.10 2.90 6 10 18 28.90 4.20 6 10 18 22.00 3.20 6 10 18 33.70 5.00 -7 -10 -18 66.99 5.00 -7 -10 -18 58.19 4.70 7 10 18 51.09 4.80 7 10 18 54.19 4.00 7 10 18 71.49 9.80 -8 -10 -18 27.40 4.10 8 10 18 22.50 3.50 8 10 18 23.30 3.60 8 10 18 26.50 5.10 -9 -10 -18 20.40 3.60 -9 -10 -18 14.80 3.70 9 10 18 17.00 3.00 -10 -10 -18 11.20 2.70 -10 -10 -18 8.50 2.30 10 10 18 12.30 2.90 10 10 18 6.70 2.10 10 10 18 12.40 2.80 10 10 18 7.70 2.60 -2 -11 -18 51.29 3.70 -2 -11 -18 44.60 5.40 2 11 18 51.79 4.80 2 11 18 41.40 5.30 2 11 18 53.09 3.80 -3 -11 -18 21.20 4.90 -3 -11 -18 13.80 2.40 3 11 18 6.00 2.20 3 11 18 11.70 2.30 3 11 18 9.80 2.80 -4 -11 -18 7.00 2.20 -4 -11 -18 5.70 1.70 4 11 18 2.10 1.50 4 11 18 6.20 1.70 -5 -11 -18 10.10 2.50 -5 -11 -18 6.70 1.80 5 11 18 9.50 3.20 5 11 18 6.90 2.00 5 11 18 5.70 1.90 -6 -11 -18 8.00 2.40 -6 -11 -18 14.00 2.80 6 11 18 9.50 2.70 6 11 18 12.50 3.90 6 11 18 14.70 3.70 -7 -11 -18 45.00 4.20 -7 -11 -18 47.10 5.30 7 11 18 32.40 4.60 7 11 18 46.30 4.20 -8 -11 -18 2.40 1.50 8 11 18 -0.30 1.20 8 11 18 2.40 1.70 8 11 18 -0.50 1.10 -9 -11 -18 0.60 1.10 -9 -11 -18 2.50 1.80 9 11 18 0.50 1.30 9 11 18 0.70 1.30 9 11 18 2.10 1.60 -10 -11 -18 15.10 3.10 -10 -11 -18 19.30 3.90 10 11 18 18.40 3.10 10 11 18 12.90 2.80 10 11 18 10.40 2.40 10 11 18 14.20 2.90 -3 -12 -18 1.70 1.10 3 12 18 2.00 1.50 3 12 18 -0.20 1.30 3 12 18 -0.40 1.00 -4 -12 -18 1.20 1.00 -4 -12 -18 1.00 1.40 4 12 18 0.40 1.40 4 12 18 1.00 1.10 4 12 18 1.60 1.60 -5 -12 -18 17.10 2.70 -5 -12 -18 15.80 2.90 5 12 18 14.40 2.90 5 12 18 24.20 3.60 5 12 18 14.20 2.50 -6 -12 -18 5.70 1.90 -6 -12 -18 6.10 2.10 6 12 18 6.00 2.10 6 12 18 4.40 2.10 6 12 18 6.20 1.60 -7 -12 -18 1.40 1.20 -7 -12 -18 1.70 1.90 7 12 18 2.00 1.50 7 12 18 0.80 1.70 7 12 18 1.60 1.30 -8 -12 -18 6.10 2.00 8 12 18 2.00 1.40 8 12 18 1.60 1.60 8 12 18 2.50 1.50 -9 -12 -18 4.10 1.70 -9 -12 -18 0.30 1.60 9 12 18 -1.10 1.10 9 12 18 2.50 1.60 9 12 18 1.20 1.20 -5 -13 -18 33.40 4.10 -5 -13 -18 30.20 3.00 5 13 18 23.40 3.50 5 13 18 27.90 4.30 5 13 18 19.60 2.90 -6 -13 -18 12.40 2.70 -6 -13 -18 16.40 3.00 6 13 18 12.90 2.80 6 13 18 10.50 2.60 6 13 18 8.80 2.10 -7 -13 -18 27.60 5.50 -7 -13 -18 24.60 3.50 7 13 18 20.50 3.10 7 13 18 28.10 3.90 7 13 18 22.90 4.00 -6 -5 -19 20.30 4.00 -6 -5 -19 19.50 3.40 6 5 19 12.20 2.80 6 5 19 16.80 3.00 -7 -5 -19 15.30 3.10 -7 -5 -19 9.70 2.40 7 5 19 12.20 2.60 7 5 19 8.20 2.40 -5 -6 -19 6.20 2.20 -5 -6 -19 8.00 2.10 5 6 19 9.30 2.50 5 6 19 5.50 1.80 5 6 19 8.20 2.10 5 6 19 8.10 1.80 -6 -6 -19 -0.60 1.40 -6 -6 -19 1.10 1.50 -6 -6 -19 3.40 1.90 6 6 19 3.90 1.50 6 6 19 0.40 1.20 6 6 19 3.80 1.70 6 6 19 0.90 1.30 -7 -6 -19 4.50 1.70 -7 -6 -19 0.10 1.20 -7 -6 -19 5.30 1.80 7 6 19 2.30 1.50 7 6 19 1.20 1.30 7 6 19 2.30 1.70 7 6 19 -0.30 1.20 -8 -6 -19 13.60 2.80 -8 -6 -19 15.70 3.10 -8 -6 -19 11.90 2.80 8 6 19 14.00 3.00 8 6 19 11.80 2.10 8 6 19 11.00 2.70 8 6 19 10.80 2.30 8 6 19 7.80 1.90 -4 -7 -19 27.60 3.80 -4 -7 -19 25.20 4.50 -4 -7 -19 21.10 3.30 4 7 19 29.60 4.20 4 7 19 25.10 3.80 4 7 19 21.00 3.10 -5 -7 -19 1.40 1.70 -5 -7 -19 1.30 1.40 -5 -7 -19 3.10 1.70 5 7 19 0.50 1.40 5 7 19 1.50 1.20 5 7 19 2.50 1.50 5 7 19 1.60 1.50 -6 -7 -19 6.20 2.10 -6 -7 -19 10.20 2.60 -6 -7 -19 9.00 2.70 6 7 19 7.20 1.70 6 7 19 6.50 1.90 6 7 19 4.60 2.00 6 7 19 4.40 1.60 -7 -7 -19 0.30 1.40 -7 -7 -19 3.80 1.70 -7 -7 -19 3.90 1.60 7 7 19 1.90 1.30 7 7 19 0.60 1.20 7 7 19 4.70 1.80 7 7 19 1.20 1.50 -8 -7 -19 19.30 3.50 -8 -7 -19 20.20 3.40 8 7 19 25.00 3.40 8 7 19 25.40 3.60 8 7 19 24.70 3.80 -4 -8 -19 3.30 1.70 -4 -8 -19 3.40 1.60 4 8 19 2.80 1.60 4 8 19 6.30 2.10 4 8 19 3.60 1.80 4 8 19 1.60 1.40 -5 -8 -19 2.90 1.70 -5 -8 -19 2.60 1.90 -5 -8 -19 4.00 2.10 5 8 19 5.80 2.00 5 8 19 4.60 1.70 5 8 19 2.90 1.70 -6 -8 -19 26.90 4.10 -6 -8 -19 39.40 4.00 -6 -8 -19 33.20 4.00 6 8 19 27.70 3.90 6 8 19 30.20 4.10 6 8 19 38.30 3.90 6 8 19 41.10 4.10 -7 -8 -19 26.00 4.00 -7 -8 -19 38.70 4.50 7 8 19 33.40 4.10 7 8 19 33.30 4.60 7 8 19 23.10 3.40 7 8 19 38.00 4.70 -8 -8 -19 0.40 1.30 -8 -8 -19 1.30 1.60 8 8 19 2.20 1.40 8 8 19 0.10 1.30 8 8 19 0.50 1.50 -5 -9 -19 19.30 3.10 -5 -9 -19 20.60 3.30 5 9 19 12.80 2.70 5 9 19 13.70 2.50 5 9 19 9.50 2.40 -6 -9 -19 86.39 5.90 -6 -9 -19 97.99 6.20 6 9 19 81.29 5.40 6 9 19 100.49 5.50 6 9 19 89.89 6.00 -7 -9 -19 12.30 3.00 -7 -9 -19 20.80 3.70 7 9 19 13.50 2.70 7 9 19 17.00 2.80 7 9 19 12.50 2.40 -8 -9 -19 21.10 3.60 -8 -9 -19 28.20 4.00 8 9 19 22.20 3.50 8 9 19 22.20 3.30 8 9 19 19.90 3.70 5 10 19 10.70 2.90 5 10 19 14.40 3.00 -6 -10 -19 6.20 2.10 -6 -10 -19 4.20 2.00 6 10 19 3.50 1.90 6 10 19 4.70 2.30 6 10 19 3.30 1.70 6 10 19 1.10 1.80 -7 -10 -19 15.10 2.90 -7 -10 -19 12.70 2.60 7 10 19 14.50 2.60 7 10 19 13.70 3.20 7 10 19 11.50 2.40 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 37090 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Al1 Al 0.49176(3) 0.49873(3) 0.75771(3) 0.01047(9) Uani 1 1 d . . . . . O1 O 0.49342(9) 0.50016(8) 0.88879(8) 0.0155(2) Uani 1 1 d . . . . . H1A H 0.452093 0.533456 0.920396 0.023 Uiso 1 1 d R U . . . H1B H 0.539194 0.478256 0.912396 0.023 Uiso 1 1 d R U . . . O2 O 0.49093(9) 0.49579(8) 0.63230(8) 0.0167(2) Uani 1 1 d . . . . . H2A H 0.474074 0.547053 0.579371 0.025 Uiso 1 1 d R U . . . H2B H 0.513373 0.449352 0.606271 0.025 Uiso 1 1 d R U . . . Cl1 Cl 0.42094(5) 0.65202(4) 0.46762(4) 0.03613(13) Uani 1 1 d . . . . . N1 N 0.46290(10) 0.64666(9) 0.70723(10) 0.0124(2) Uani 1 1 d . . . . . N2 N 0.33407(10) 0.46473(9) 0.82955(10) 0.0128(2) Uani 1 1 d . . . . . N3 N 0.52057(10) 0.35120(9) 0.80991(10) 0.0120(2) Uani 1 1 d . . . . . N4 N 0.64968(10) 0.53204(9) 0.69391(10) 0.0120(2) Uani 1 1 d . . . . . N5 N 0.34840(11) 0.59323(11) 1.01627(11) 0.0183(3) Uani 1 1 d . . . . . C1 C 0.53722(12) 0.72738(11) 0.65435(12) 0.0140(3) Uani 1 1 d . . . . . C2 C 0.48513(13) 0.82210(12) 0.62531(13) 0.0186(3) Uani 1 1 d . . . . . H2 H 0.518367 0.888554 0.590461 0.022 Uiso 1 1 calc R U . . . C3 C 0.37975(13) 0.79849(12) 0.65710(13) 0.0189(3) Uani 1 1 d . . . . . H3 H 0.325464 0.845198 0.646252 0.023 Uiso 1 1 calc R U . . . C4 C 0.36543(12) 0.68949(11) 0.71033(12) 0.0140(3) Uani 1 1 d . . . . . C5 C 0.26658(12) 0.63626(11) 0.76181(12) 0.0138(3) Uani 1 1 d . . . . . C6 C 0.25292(12) 0.53103(11) 0.82141(12) 0.0140(3) Uani 1 1 d . . . . . C7 C 0.15082(12) 0.47709(12) 0.88715(13) 0.0175(3) Uani 1 1 d . . . . . H7 H 0.082583 0.505534 0.895402 0.021 Uiso 1 1 calc R U . . . C8 C 0.17045(12) 0.37797(12) 0.93510(13) 0.0179(3) Uani 1 1 d . . . . . H8 H 0.118611 0.324005 0.984389 0.021 Uiso 1 1 calc R U . . . C9 C 0.28451(12) 0.36994(11) 0.89727(12) 0.0146(3) Uani 1 1 d . . . . . C10 C 0.33652(12) 0.27859(11) 0.92263(12) 0.0149(3) Uani 1 1 d . . . . . C11 C 0.44690(12) 0.27082(11) 0.87844(12) 0.0145(3) Uani 1 1 d . . . . . C12 C 0.49897(13) 0.17606(12) 0.89265(13) 0.0184(3) Uani 1 1 d . . . . . H12 H 0.466181 0.109772 0.936906 0.022 Uiso 1 1 calc R U . . . C13 C 0.60344(13) 0.19903(11) 0.83116(13) 0.0179(3) Uani 1 1 d . . . . . H13 H 0.657737 0.151880 0.823557 0.021 Uiso 1 1 calc R U . . . C14 C 0.61691(12) 0.30816(11) 0.77947(11) 0.0133(3) Uani 1 1 d . . . . . C15 C 0.71535(12) 0.36122(11) 0.71187(11) 0.0133(3) Uani 1 1 d . . . . . C16 C 0.73020(12) 0.46665(11) 0.67594(11) 0.0129(3) Uani 1 1 d . . . . . C17 C 0.83167(12) 0.52301(12) 0.61448(12) 0.0166(3) Uani 1 1 d . . . . . H17 H 0.899174 0.495929 0.590562 0.020 Uiso 1 1 calc R U . . . C18 C 0.81265(12) 0.62177(12) 0.59728(12) 0.0165(3) Uani 1 1 d . . . . . H18 H 0.864578 0.676829 0.561133 0.020 Uiso 1 1 calc R U . . . C19 C 0.69929(12) 0.62770(11) 0.64389(11) 0.0132(3) Uani 1 1 d . . . . . C20 C 0.64768(12) 0.71973(11) 0.62830(12) 0.0137(3) Uani 1 1 d . . . . . C21 C 0.71585(12) 0.81631(11) 0.57215(12) 0.0150(3) Uani 1 1 d . . . . . C22 C 0.72870(13) 0.87918(12) 0.46731(13) 0.0194(3) Uani 1 1 d . . . . . H22 H 0.695134 0.859710 0.431109 0.023 Uiso 1 1 calc R U . . . C23 C 0.79007(13) 0.96997(12) 0.41526(14) 0.0221(3) Uani 1 1 d . . . . . H23 H 0.798229 1.012199 0.343852 0.026 Uiso 1 1 calc R U . . . C24 C 0.83936(13) 0.99901(12) 0.46725(14) 0.0225(3) Uani 1 1 d . . . . . H24 H 0.880110 1.061775 0.432108 0.027 Uiso 1 1 calc R U . . . C25 C 0.82907(14) 0.93613(13) 0.57095(14) 0.0231(3) Uani 1 1 d . . . . . H25 H 0.864294 0.955100 0.606201 0.028 Uiso 1 1 calc R U . . . C26 C 0.76707(13) 0.84515(12) 0.62342(13) 0.0194(3) Uani 1 1 d . . . . . H26 H 0.759767 0.802637 0.694546 0.023 Uiso 1 1 calc R U . . . C27 C 0.16803(12) 0.69377(11) 0.75578(12) 0.0147(3) Uani 1 1 d . . . . . C28 C 0.11215(13) 0.68128(13) 0.69875(14) 0.0213(3) Uani 1 1 d . . . . . H28 H 0.139659 0.640182 0.659636 0.026 Uiso 1 1 calc R U . . . C29 C 0.01635(14) 0.72852(13) 0.69865(15) 0.0246(4) Uani 1 1 d . . . . . H29 H -0.021779 0.718844 0.660330 0.030 Uiso 1 1 calc R U . . . C30 C -0.02339(13) 0.78939(13) 0.75407(14) 0.0237(4) Uani 1 1 d . . . . . H30 H -0.089671 0.820331 0.755242 0.028 Uiso 1 1 calc R U . . . C31 C 0.03315(14) 0.80539(14) 0.80788(13) 0.0242(4) Uani 1 1 d . . . . . H31 H 0.006883 0.849114 0.844121 0.029 Uiso 1 1 calc R U . . . C32 C 0.12863(13) 0.75749(13) 0.80905(13) 0.0199(3) Uani 1 1 d . . . . . H32 H 0.167063 0.768410 0.846477 0.024 Uiso 1 1 calc R U . . . C33 C 0.27114(12) 0.18132(11) 0.99609(13) 0.0176(3) Uani 1 1 d . . . . . C34 C 0.20479(14) 0.14328(13) 0.96487(15) 0.0242(3) Uani 1 1 d . . . . . H34 H 0.197552 0.181206 0.898099 0.029 Uiso 1 1 calc R U . . . C35 C 0.14891(15) 0.04962(14) 1.03138(17) 0.0318(4) Uani 1 1 d . . . . . H35 H 0.104023 0.023699 1.009605 0.038 Uiso 1 1 calc R U . . . C36 C 0.15864(16) -0.00577(13) 1.12909(16) 0.0327(4) Uani 1 1 d . . . . . H36 H 0.120561 -0.069618 1.174188 0.039 Uiso 1 1 calc R U . . . C37 C 0.22355(15) 0.03179(13) 1.16084(15) 0.0294(4) Uani 1 1 d . . . . . H37 H 0.229682 -0.006007 1.228122 0.035 Uiso 1 1 calc R U . . . C38 C 0.28009(14) 0.12475(13) 1.09482(13) 0.0228(3) Uani 1 1 d . . . . . H38 H 0.325111 0.149967 1.117007 0.027 Uiso 1 1 calc R U . . . C39 C 0.80695(12) 0.30169(11) 0.67459(12) 0.0146(3) Uani 1 1 d . . . . . C40 C 0.79775(13) 0.24720(12) 0.61866(13) 0.0188(3) Uani 1 1 d . . . . . H40 H 0.733709 0.248392 0.605296 0.023 Uiso 1 1 calc R U . . . C41 C 0.88194(14) 0.19144(12) 0.58268(13) 0.0234(4) Uani 1 1 d . . . . . H41 H 0.875105 0.154515 0.544865 0.028 Uiso 1 1 calc R U . . . C42 C 0.97546(14) 0.18910(12) 0.60128(14) 0.0247(4) Uani 1 1 d . . . . . H42 H 1.032520 0.150285 0.576825 0.030 Uiso 1 1 calc R U . . . C43 C 0.98610(13) 0.24347(12) 0.65572(14) 0.0224(3) Uani 1 1 d . . . . . H43 H 1.050780 0.242613 0.667893 0.027 Uiso 1 1 calc R U . . . C44 C 0.90214(13) 0.29918(12) 0.69243(12) 0.0176(3) Uani 1 1 d . . . . . H44 H 0.909604 0.335972 0.730116 0.021 Uiso 1 1 calc R U . . . C45 C 0.35600(14) 0.69592(13) 0.97616(13) 0.0198(3) Uani 1 1 d . . . . . C46 C 0.26604(15) 0.75279(14) 0.99357(14) 0.0246(4) Uani 1 1 d . . . . . H46 H 0.273672 0.824921 0.965903 0.030 Uiso 1 1 calc R U . . . C47 C 0.16515(14) 0.70449(15) 1.05125(14) 0.0260(4) Uani 1 1 d . . . . . C48 C 0.15835(14) 0.59922(15) 1.09163(14) 0.0243(4) Uani 1 1 d . . . . . H48 H 0.090493 0.563688 1.131606 0.029 Uiso 1 1 calc R U . . . C49 C 0.25090(13) 0.54526(13) 1.07374(13) 0.0195(3) Uani 1 1 d . . . . . C50 C 0.46629(15) 0.74504(14) 0.91182(15) 0.0268(4) Uani 1 1 d . . . . . H50A H 0.463099 0.818652 0.892614 0.040 Uiso 1 1 calc R U . . . H50B H 0.495078 0.731991 0.847329 0.040 Uiso 1 1 calc R U . . . H50C H 0.512771 0.716590 0.953456 0.040 Uiso 1 1 calc R U . . . C51 C 0.06602(17) 0.76483(18) 1.06811(17) 0.0380(5) Uani 1 1 d . . . . . H51A H 0.074675 0.813325 1.095720 0.057 Uiso 1 1 calc R U . . . H51B H 0.003891 0.718346 1.118987 0.057 Uiso 1 1 calc R U . . . H51C H 0.055138 0.801996 1.000587 0.057 Uiso 1 1 calc R U . . . C52 C 0.24759(15) 0.43133(14) 1.11790(14) 0.0256(4) Uani 1 1 d . . . . . H52A H 0.173283 0.405148 1.146965 0.038 Uiso 1 1 calc R U . . . H52B H 0.277761 0.405413 1.174167 0.038 Uiso 1 1 calc R U . . . H52C H 0.289540 0.408826 1.061481 0.038 Uiso 1 1 calc R U . . . C53 C 0.52202(18) 0.88968(17) 0.3184(2) 0.0413(5) Uani 1 1 d . . . . . H53A H 0.514218 0.843307 0.287155 0.050 Uiso 1 1 calc R U . . . H53B H 0.528923 0.847453 0.387748 0.050 Uiso 1 1 calc R U . . . Cl2 Cl 0.63930(5) 0.96920(5) 0.23399(5) 0.05648(17) Uani 1 1 d . . . . . Cl3 Cl 0.40758(5) 0.96049(5) 0.33742(7) 0.05970(19) Uani 1 1 d . . . . . C54 C 0.25341(19) 0.4248(2) 0.6155(2) 0.0482(6) Uani 1 1 d . . . . . H54A H 0.289968 0.450848 0.537690 0.058 Uiso 1 1 calc R U . . . H54B H 0.289515 0.457467 0.642979 0.058 Uiso 1 1 calc R U . . . Cl4 Cl 0.11854(5) 0.45767(4) 0.64507(5) 0.04238(13) Uani 1 1 d . . . . . Cl5 Cl 0.26436(6) 0.29222(5) 0.67146(6) 0.05678(17) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Al1 0.0102(2) 0.00920(19) 0.01094(19) -0.00358(16) -0.00334(16) 0.00119(15) O1 0.0149(5) 0.0197(5) 0.0155(5) -0.0098(4) -0.0078(4) 0.0074(4) O2 0.0235(6) 0.0147(5) 0.0149(5) -0.0072(4) -0.0097(4) 0.0050(4) Cl1 0.0668(3) 0.0265(2) 0.0325(2) -0.01890(19) -0.0346(2) 0.0247(2) N1 0.0108(6) 0.0109(6) 0.0145(6) -0.0046(5) -0.0042(5) 0.0010(4) N2 0.0124(6) 0.0102(6) 0.0142(6) -0.0037(5) -0.0048(5) 0.0014(5) N3 0.0109(6) 0.0109(6) 0.0122(6) -0.0038(5) -0.0030(5) 0.0010(4) N4 0.0120(6) 0.0099(5) 0.0125(6) -0.0043(5) -0.0033(5) 0.0012(4) N5 0.0167(6) 0.0208(7) 0.0179(6) -0.0088(5) -0.0065(5) 0.0040(5) C1 0.0147(7) 0.0111(7) 0.0153(7) -0.0050(5) -0.0051(6) 0.0012(5) C2 0.0182(8) 0.0106(7) 0.0234(8) -0.0043(6) -0.0067(6) 0.0016(6) C3 0.0168(7) 0.0126(7) 0.0235(8) -0.0051(6) -0.0063(6) 0.0039(6) C4 0.0142(7) 0.0127(7) 0.0153(7) -0.0056(6) -0.0061(6) 0.0033(5) C5 0.0137(7) 0.0130(7) 0.0156(7) -0.0063(6) -0.0063(6) 0.0034(5) C6 0.0125(7) 0.0147(7) 0.0159(7) -0.0070(6) -0.0058(6) 0.0024(5) C7 0.0113(7) 0.0169(7) 0.0214(8) -0.0060(6) -0.0048(6) 0.0009(6) C8 0.0137(7) 0.0163(7) 0.0196(7) -0.0052(6) -0.0034(6) -0.0007(6) C9 0.0140(7) 0.0137(7) 0.0140(7) -0.0045(6) -0.0037(6) -0.0007(5) C10 0.0140(7) 0.0126(7) 0.0142(7) -0.0031(6) -0.0032(6) -0.0007(5) C11 0.0154(7) 0.0110(7) 0.0149(7) -0.0038(5) -0.0044(6) 0.0003(5) C12 0.0177(8) 0.0106(7) 0.0201(7) -0.0032(6) -0.0027(6) 0.0004(6) C13 0.0181(7) 0.0113(7) 0.0202(7) -0.0054(6) -0.0045(6) 0.0038(6) C14 0.0147(7) 0.0114(7) 0.0140(7) -0.0056(5) -0.0053(6) 0.0029(5) C15 0.0135(7) 0.0126(7) 0.0136(7) -0.0058(5) -0.0045(5) 0.0025(5) C16 0.0121(7) 0.0130(7) 0.0123(6) -0.0050(5) -0.0033(5) 0.0018(5) C17 0.0120(7) 0.0155(7) 0.0181(7) -0.0058(6) -0.0020(6) 0.0011(6) C18 0.0136(7) 0.0142(7) 0.0176(7) -0.0046(6) -0.0028(6) -0.0009(5) C19 0.0134(7) 0.0120(7) 0.0125(6) -0.0041(5) -0.0035(5) -0.0004(5) C20 0.0141(7) 0.0110(7) 0.0144(7) -0.0040(5) -0.0044(5) 0.0001(5) C21 0.0111(7) 0.0102(6) 0.0198(7) -0.0050(6) -0.0028(6) 0.0010(5) C22 0.0178(8) 0.0170(7) 0.0205(8) -0.0052(6) -0.0062(6) 0.0003(6) C23 0.0203(8) 0.0139(7) 0.0219(8) -0.0022(6) -0.0028(6) 0.0022(6) C24 0.0202(8) 0.0102(7) 0.0288(9) -0.0073(6) 0.0003(7) -0.0021(6) C25 0.0235(8) 0.0175(8) 0.0301(9) -0.0117(7) -0.0080(7) -0.0024(6) C26 0.0202(8) 0.0149(7) 0.0212(8) -0.0060(6) -0.0065(6) 0.0002(6) C27 0.0124(7) 0.0113(7) 0.0159(7) -0.0016(6) -0.0047(6) 0.0016(5) C28 0.0202(8) 0.0188(8) 0.0280(8) -0.0105(7) -0.0111(7) 0.0030(6) C29 0.0193(8) 0.0236(8) 0.0309(9) -0.0053(7) -0.0150(7) -0.0001(7) C30 0.0119(7) 0.0242(8) 0.0229(8) -0.0009(7) -0.0041(6) 0.0047(6) C31 0.0221(8) 0.0248(8) 0.0199(8) -0.0092(7) -0.0035(7) 0.0102(7) C32 0.0199(8) 0.0217(8) 0.0181(7) -0.0082(6) -0.0077(6) 0.0058(6) C33 0.0126(7) 0.0114(7) 0.0200(7) -0.0038(6) 0.0008(6) 0.0009(5) C34 0.0211(8) 0.0179(8) 0.0289(9) -0.0076(7) -0.0054(7) -0.0013(6) C35 0.0252(9) 0.0212(9) 0.0435(11) -0.0135(8) -0.0036(8) -0.0060(7) C36 0.0300(10) 0.0129(8) 0.0339(10) -0.0043(7) 0.0072(8) -0.0044(7) C37 0.0314(10) 0.0170(8) 0.0215(8) -0.0018(7) 0.0028(7) 0.0030(7) C38 0.0224(8) 0.0171(8) 0.0198(8) -0.0038(6) -0.0020(6) 0.0017(6) C39 0.0140(7) 0.0108(6) 0.0133(7) -0.0032(5) -0.0007(5) 0.0007(5) C40 0.0201(8) 0.0152(7) 0.0193(7) -0.0071(6) -0.0045(6) 0.0000(6) C41 0.0301(9) 0.0146(7) 0.0195(8) -0.0092(6) 0.0010(7) -0.0014(6) C42 0.0201(8) 0.0134(7) 0.0258(8) -0.0063(6) 0.0053(7) 0.0035(6) C43 0.0141(7) 0.0166(7) 0.0260(8) -0.0035(7) -0.0020(6) 0.0017(6) C44 0.0167(7) 0.0143(7) 0.0184(7) -0.0054(6) -0.0042(6) 0.0014(6) C45 0.0230(8) 0.0212(8) 0.0181(7) -0.0087(6) -0.0102(6) 0.0038(6) C46 0.0326(9) 0.0236(8) 0.0251(8) -0.0132(7) -0.0171(7) 0.0111(7) C47 0.0250(9) 0.0388(10) 0.0258(9) -0.0214(8) -0.0159(7) 0.0160(8) C48 0.0159(8) 0.0397(10) 0.0223(8) -0.0177(8) -0.0071(6) 0.0047(7) C49 0.0183(8) 0.0266(8) 0.0159(7) -0.0110(6) -0.0063(6) 0.0022(6) C50 0.0276(9) 0.0231(8) 0.0266(9) -0.0069(7) -0.0089(7) -0.0017(7) C51 0.0333(11) 0.0542(13) 0.0389(11) -0.0294(10) -0.0209(9) 0.0267(10) C52 0.0257(9) 0.0263(9) 0.0228(8) -0.0091(7) -0.0061(7) -0.0034(7) C53 0.0414(12) 0.0368(11) 0.0554(14) -0.0236(11) -0.0246(11) 0.0111(9) Cl2 0.0478(3) 0.0524(4) 0.0473(3) -0.0047(3) -0.0123(3) 0.0074(3) Cl3 0.0416(3) 0.0549(4) 0.1044(6) -0.0488(4) -0.0351(4) 0.0191(3) C54 0.0368(12) 0.0496(14) 0.0538(14) -0.0146(12) -0.0147(11) -0.0120(10) Cl4 0.0453(3) 0.0377(3) 0.0552(3) -0.0286(3) -0.0182(3) 0.0008(2) Cl5 0.0536(4) 0.0571(4) 0.0623(4) -0.0260(3) -0.0250(3) 0.0162(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 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' Cl Cl 0.1484 0.1585 '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 O2 Al1 O1 179.29(5) . . ? O2 Al1 N3 90.05(5) . . ? O1 Al1 N3 89.26(5) . . ? O2 Al1 N1 90.75(5) . . ? O1 Al1 N1 89.94(5) . . ? N3 Al1 N1 179.20(6) . . ? O2 Al1 N4 91.49(5) . . ? O1 Al1 N4 88.33(5) . . ? N3 Al1 N4 89.36(5) . . ? N1 Al1 N4 90.62(5) . . ? O2 Al1 N2 91.82(5) . . ? O1 Al1 N2 88.35(5) . . ? N3 Al1 N2 90.30(5) . . ? N1 Al1 N2 89.68(5) . . ? N4 Al1 N2 176.66(5) . . ? Al1 O1 H1A 123.6 . . ? Al1 O1 H1B 124.6 . . ? H1A O1 H1B 110.9 . . ? Al1 O2 H2A 127.2 . . ? Al1 O2 H2B 129.8 . . ? H2A O2 H2B 102.7 . . ? C1 N1 C4 105.59(12) . . ? C1 N1 Al1 127.07(10) . . ? C4 N1 Al1 127.16(10) . . ? C6 N2 C9 105.81(12) . . ? C6 N2 Al1 127.17(10) . . ? C9 N2 Al1 127.03(10) . . ? C14 N3 C11 105.81(12) . . ? C14 N3 Al1 126.97(10) . . ? C11 N3 Al1 127.08(10) . . ? C19 N4 C16 105.56(12) . . ? C19 N4 Al1 126.62(10) . . ? C16 N4 Al1 127.10(10) . . ? C49 N5 C45 118.89(14) . . ? N1 C1 C20 125.59(13) . . ? N1 C1 C2 110.18(13) . . ? C20 C1 C2 124.19(14) . . ? C3 C2 C1 106.95(14) . . ? C3 C2 H2 126.5 . . ? C1 C2 H2 126.5 . . ? C2 C3 C4 107.12(13) . . ? C2 C3 H3 126.4 . . ? C4 C3 H3 126.4 . . ? N1 C4 C5 125.49(13) . . ? N1 C4 C3 110.09(13) . . ? C5 C4 C3 124.35(14) . . ? C4 C5 C6 123.76(14) . . ? C4 C5 C27 119.02(13) . . ? C6 C5 C27 117.21(13) . . ? N2 C6 C5 125.51(14) . . ? N2 C6 C7 110.08(13) . . ? C5 C6 C7 124.36(14) . . ? C8 C7 C6 106.99(14) . . ? C8 C7 H7 126.5 . . ? C6 C7 H7 126.5 . . ? C7 C8 C9 107.03(14) . . ? C7 C8 H8 126.5 . . ? C9 C8 H8 126.5 . . ? N2 C9 C10 125.35(14) . . ? N2 C9 C8 110.04(13) . . ? C10 C9 C8 124.57(14) . . ? C9 C10 C11 123.99(14) . . ? C9 C10 C33 119.00(13) . . ? C11 C10 C33 116.89(13) . . ? N3 C11 C10 125.71(13) . . ? N3 C11 C12 109.96(13) . . ? C10 C11 C12 124.19(14) . . ? C13 C12 C11 107.07(13) . . ? C13 C12 H12 126.5 . . ? C11 C12 H12 126.5 . . ? C12 C13 C14 107.14(13) . . ? C12 C13 H13 126.4 . . ? C14 C13 H13 126.4 . . ? N3 C14 C15 125.90(13) . . ? N3 C14 C13 110.00(13) . . ? C15 C14 C13 124.04(14) . . ? C16 C15 C14 123.18(13) . . ? C16 C15 C39 119.23(13) . . ? C14 C15 C39 117.56(13) . . ? N4 C16 C15 124.99(13) . . ? N4 C16 C17 109.96(13) . . ? C15 C16 C17 125.05(13) . . ? C18 C17 C16 107.01(13) . . ? C18 C17 H17 126.5 . . ? C16 C17 H17 126.5 . . ? C17 C18 C19 107.06(13) . . ? C17 C18 H18 126.5 . . ? C19 C18 H18 126.5 . . ? N4 C19 C20 125.79(13) . . ? N4 C19 C18 110.33(13) . . ? C20 C19 C18 123.45(14) . . ? C1 C20 C19 123.99(14) . . ? C1 C20 C21 117.95(13) . . ? C19 C20 C21 117.85(13) . . ? C26 C21 C22 118.90(14) . . ? C26 C21 C20 120.80(14) . . ? C22 C21 C20 120.29(14) . . ? C23 C22 C21 120.67(16) . . ? C23 C22 H22 119.7 . . ? C21 C22 H22 119.7 . . ? C24 C23 C22 120.13(16) . . ? C24 C23 H23 119.9 . . ? C22 C23 H23 119.9 . . ? C23 C24 C25 119.81(15) . . ? C23 C24 H24 120.1 . . ? C25 C24 H24 120.1 . . ? C24 C25 C26 120.08(16) . . ? C24 C25 H25 120.0 . . ? C26 C25 H25 120.0 . . ? C21 C26 C25 120.38(15) . . ? C21 C26 H26 119.8 . . ? C25 C26 H26 119.8 . . ? C32 C27 C28 118.86(14) . . ? C32 C27 C5 121.27(14) . . ? C28 C27 C5 119.84(14) . . ? C29 C28 C27 120.47(16) . . ? C29 C28 H28 119.8 . . ? C27 C28 H28 119.8 . . ? C30 C29 C28 120.13(16) . . ? C30 C29 H29 119.9 . . ? C28 C29 H29 119.9 . . ? C29 C30 C31 120.01(15) . . ? C29 C30 H30 120.0 . . ? C31 C30 H30 120.0 . . ? C30 C31 C32 120.07(16) . . ? C30 C31 H31 120.0 . . ? C32 C31 H31 120.0 . . ? C27 C32 C31 120.40(16) . . ? C27 C32 H32 119.8 . . ? C31 C32 H32 119.8 . . ? C34 C33 C38 119.04(15) . . ? C34 C33 C10 120.50(15) . . ? C38 C33 C10 120.38(15) . . ? C33 C34 C35 120.14(17) . . ? C33 C34 H34 119.9 . . ? C35 C34 H34 119.9 . . ? C36 C35 C34 120.21(19) . . ? C36 C35 H35 119.9 . . ? C34 C35 H35 119.9 . . ? C37 C36 C35 119.96(16) . . ? C37 C36 H36 120.0 . . ? C35 C36 H36 120.0 . . ? C36 C37 C38 120.25(18) . . ? C36 C37 H37 119.9 . . ? C38 C37 H37 119.9 . . ? C37 C38 C33 120.41(18) . . ? C37 C38 H38 119.8 . . ? C33 C38 H38 119.8 . . ? C44 C39 C40 118.72(14) . . ? C44 C39 C15 122.35(14) . . ? C40 C39 C15 118.93(14) . . ? C41 C40 C39 120.14(16) . . ? C41 C40 H40 119.9 . . ? C39 C40 H40 119.9 . . ? C42 C41 C40 120.62(16) . . ? C42 C41 H41 119.7 . . ? C40 C41 H41 119.7 . . ? C41 C42 C43 119.89(15) . . ? C41 C42 H42 120.1 . . ? C43 C42 H42 120.1 . . ? C42 C43 C44 119.93(16) . . ? C42 C43 H43 120.0 . . ? C44 C43 H43 120.0 . . ? C43 C44 C39 120.69(15) . . ? C43 C44 H44 119.7 . . ? C39 C44 H44 119.7 . . ? N5 C45 C46 121.53(16) . . ? N5 C45 C50 116.49(15) . . ? C46 C45 C50 121.98(16) . . ? C47 C46 C45 120.16(17) . . ? C47 C46 H46 119.9 . . ? C45 C46 H46 119.9 . . ? C48 C47 C46 117.76(16) . . ? C48 C47 C51 121.14(18) . . ? C46 C47 C51 121.10(18) . . ? C47 C48 C49 120.08(17) . . ? C47 C48 H48 120.0 . . ? C49 C48 H48 120.0 . . ? N5 C49 C48 121.55(16) . . ? N5 C49 C52 116.52(15) . . ? C48 C49 C52 121.92(16) . . ? C45 C50 H50A 109.5 . . ? C45 C50 H50B 109.5 . . ? H50A C50 H50B 109.5 . . ? C45 C50 H50C 109.5 . . ? H50A C50 H50C 109.5 . . ? H50B C50 H50C 109.5 . . ? C47 C51 H51A 109.5 . . ? C47 C51 H51B 109.5 . . ? H51A C51 H51B 109.5 . . ? C47 C51 H51C 109.5 . . ? H51A C51 H51C 109.5 . . ? H51B C51 H51C 109.5 . . ? C49 C52 H52A 109.5 . . ? C49 C52 H52B 109.5 . . ? H52A C52 H52B 109.5 . . ? C49 C52 H52C 109.5 . . ? H52A C52 H52C 109.5 . . ? H52B C52 H52C 109.5 . . ? Cl3 C53 Cl2 111.76(13) . . ? Cl3 C53 H53A 109.3 . . ? Cl2 C53 H53A 109.3 . . ? Cl3 C53 H53B 109.3 . . ? Cl2 C53 H53B 109.3 . . ? H53A C53 H53B 107.9 . . ? Cl5 C54 Cl4 111.48(13) . . ? Cl5 C54 H54A 109.3 . . ? Cl4 C54 H54A 109.3 . . ? Cl5 C54 H54B 109.3 . . ? Cl4 C54 H54B 109.3 . . ? H54A C54 H54B 108.0 . . ? 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 O2 1.8827(11) . ? Al1 O1 1.9617(11) . ? Al1 N3 1.9902(13) . ? Al1 N1 1.9950(13) . ? Al1 N4 2.0034(13) . ? Al1 N2 2.0036(13) . ? O1 H1A 0.8335 . ? O1 H1B 0.7917 . ? O2 H2A 0.9112 . ? O2 H2B 0.8786 . ? N1 C1 1.3779(19) . ? N1 C4 1.3803(19) . ? N2 C6 1.3761(19) . ? N2 C9 1.3782(19) . ? N3 C14 1.3759(19) . ? N3 C11 1.3788(19) . ? N4 C19 1.3769(18) . ? N4 C16 1.3801(18) . ? N5 C49 1.348(2) . ? N5 C45 1.350(2) . ? C1 C20 1.396(2) . ? C1 C2 1.439(2) . ? C2 C3 1.353(2) . ? C2 H2 0.9500 . ? C3 C4 1.437(2) . ? C3 H3 0.9500 . ? C4 C5 1.392(2) . ? C5 C6 1.398(2) . ? C5 C27 1.496(2) . ? C6 C7 1.438(2) . ? C7 C8 1.355(2) . ? C7 H7 0.9500 . ? C8 C9 1.437(2) . ? C8 H8 0.9500 . ? C9 C10 1.396(2) . ? C10 C11 1.399(2) . ? C10 C33 1.496(2) . ? C11 C12 1.437(2) . ? C12 C13 1.352(2) . ? C12 H12 0.9500 . ? C13 C14 1.437(2) . ? C13 H13 0.9500 . ? C14 C15 1.400(2) . ? C15 C16 1.399(2) . ? C15 C39 1.490(2) . ? C16 C17 1.440(2) . ? C17 C18 1.352(2) . ? C17 H17 0.9500 . ? C18 C19 1.434(2) . ? C18 H18 0.9500 . ? C19 C20 1.400(2) . ? C20 C21 1.497(2) . ? C21 C26 1.392(2) . ? C21 C22 1.395(2) . ? C22 C23 1.389(2) . ? C22 H22 0.9500 . ? C23 C24 1.384(3) . ? C23 H23 0.9500 . ? C24 C25 1.389(3) . ? C24 H24 0.9500 . ? C25 C26 1.395(2) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C27 C32 1.391(2) . ? C27 C28 1.392(2) . ? C28 C29 1.391(2) . ? C28 H28 0.9500 . ? C29 C30 1.379(3) . ? C29 H29 0.9500 . ? C30 C31 1.381(3) . ? C30 H30 0.9500 . ? C31 C32 1.393(2) . ? C31 H31 0.9500 . ? C32 H32 0.9500 . ? C33 C34 1.391(2) . ? C33 C38 1.396(2) . ? C34 C35 1.394(2) . ? C34 H34 0.9500 . ? C35 C36 1.385(3) . ? C35 H35 0.9500 . ? C36 C37 1.377(3) . ? C36 H36 0.9500 . ? C37 C38 1.390(2) . ? C37 H37 0.9500 . ? C38 H38 0.9500 . ? C39 C44 1.395(2) . ? C39 C40 1.399(2) . ? C40 C41 1.387(2) . ? C40 H40 0.9500 . ? C41 C42 1.379(3) . ? C41 H41 0.9500 . ? C42 C43 1.386(3) . ? C42 H42 0.9500 . ? C43 C44 1.388(2) . ? C43 H43 0.9500 . ? C44 H44 0.9500 . ? C45 C46 1.390(2) . ? C45 C50 1.499(2) . ? C46 C47 1.387(3) . ? C46 H46 0.9500 . ? C47 C48 1.384(3) . ? C47 C51 1.509(2) . ? C48 C49 1.393(2) . ? C48 H48 0.9500 . ? C49 C52 1.497(2) . ? C50 H50A 0.9800 . ? C50 H50B 0.9800 . ? C50 H50C 0.9800 . ? C51 H51A 0.9800 . ? C51 H51B 0.9800 . ? C51 H51C 0.9800 . ? C52 H52A 0.9800 . ? C52 H52B 0.9800 . ? C52 H52C 0.9800 . ? C53 Cl3 1.751(2) . ? C53 Cl2 1.771(3) . ? C53 H53A 0.9900 . ? C53 H53B 0.9900 . ? C54 Cl5 1.757(3) . ? C54 Cl4 1.763(3) . ? C54 H54A 0.9900 . ? C54 H54B 0.9900 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag O1 H1A N5 0.83 2.00 2.8260(17) 171.1 . yes O2 H2A Cl1 0.91 2.03 2.9364(11) 173.5 . yes O1 H1B N5 0.79 2.10 2.8884(17) 174.4 2_667 yes O2 H2B Cl1 0.88 2.11 2.9843(11) 174.6 2_666 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C4 N1 C1 C20 -176.79(15) . . . . ? Al1 N1 C1 C20 -1.5(2) . . . . ? C4 N1 C1 C2 0.81(16) . . . . ? Al1 N1 C1 C2 176.12(10) . . . . ? N1 C1 C2 C3 -2.28(18) . . . . ? C20 C1 C2 C3 175.36(15) . . . . ? C1 C2 C3 C4 2.70(18) . . . . ? C1 N1 C4 C5 -176.08(14) . . . . ? Al1 N1 C4 C5 8.6(2) . . . . ? C1 N1 C4 C3 0.88(17) . . . . ? Al1 N1 C4 C3 -174.42(10) . . . . ? C2 C3 C4 N1 -2.33(18) . . . . ? C2 C3 C4 C5 174.68(15) . . . . ? N1 C4 C5 C6 2.6(2) . . . . ? C3 C4 C5 C6 -173.99(15) . . . . ? N1 C4 C5 C27 -178.67(14) . . . . ? C3 C4 C5 C27 4.8(2) . . . . ? C9 N2 C6 C5 178.83(14) . . . . ? Al1 N2 C6 C5 -1.2(2) . . . . ? C9 N2 C6 C7 1.35(17) . . . . ? Al1 N2 C6 C7 -178.73(10) . . . . ? C4 C5 C6 N2 -6.4(2) . . . . ? C27 C5 C6 N2 174.81(14) . . . . ? C4 C5 C6 C7 170.73(15) . . . . ? C27 C5 C6 C7 -8.1(2) . . . . ? N2 C6 C7 C8 0.01(18) . . . . ? C5 C6 C7 C8 -177.50(15) . . . . ? C6 C7 C8 C9 -1.32(18) . . . . ? C6 N2 C9 C10 175.48(15) . . . . ? Al1 N2 C9 C10 -4.4(2) . . . . ? C6 N2 C9 C8 -2.18(17) . . . . ? Al1 N2 C9 C8 177.90(10) . . . . ? C7 C8 C9 N2 2.24(18) . . . . ? C7 C8 C9 C10 -175.45(15) . . . . ? N2 C9 C10 C11 -2.9(2) . . . . ? C8 C9 C10 C11 174.46(15) . . . . ? N2 C9 C10 C33 -178.81(14) . . . . ? C8 C9 C10 C33 -1.5(2) . . . . ? C14 N3 C11 C10 -174.64(15) . . . . ? Al1 N3 C11 C10 1.4(2) . . . . ? C14 N3 C11 C12 1.31(17) . . . . ? Al1 N3 C11 C12 177.34(10) . . . . ? C9 C10 C11 N3 4.5(3) . . . . ? C33 C10 C11 N3 -179.48(14) . . . . ? C9 C10 C11 C12 -170.90(15) . . . . ? C33 C10 C11 C12 5.1(2) . . . . ? N3 C11 C12 C13 -1.26(18) . . . . ? C10 C11 C12 C13 174.77(15) . . . . ? C11 C12 C13 C14 0.66(18) . . . . ? C11 N3 C14 C15 -178.34(14) . . . . ? Al1 N3 C14 C15 5.6(2) . . . . ? C11 N3 C14 C13 -0.90(16) . . . . ? Al1 N3 C14 C13 -176.94(10) . . . . ? C12 C13 C14 N3 0.13(18) . . . . ? C12 C13 C14 C15 177.64(15) . . . . ? N3 C14 C15 C16 7.8(2) . . . . ? C13 C14 C15 C16 -169.28(15) . . . . ? N3 C14 C15 C39 -170.23(14) . . . . ? C13 C14 C15 C39 12.7(2) . . . . ? C19 N4 C16 C15 -179.25(14) . . . . ? Al1 N4 C16 C15 -8.5(2) . . . . ? C19 N4 C16 C17 0.58(16) . . . . ? Al1 N4 C16 C17 171.28(10) . . . . ? C14 C15 C16 N4 -6.2(2) . . . . ? C39 C15 C16 N4 171.80(14) . . . . ? C14 C15 C16 C17 173.98(14) . . . . ? C39 C15 C16 C17 -8.0(2) . . . . ? N4 C16 C17 C18 1.20(18) . . . . ? C15 C16 C17 C18 -178.98(14) . . . . ? C16 C17 C18 C19 -2.39(17) . . . . ? C16 N4 C19 C20 170.57(14) . . . . ? Al1 N4 C19 C20 -0.2(2) . . . . ? C16 N4 C19 C18 -2.08(16) . . . . ? Al1 N4 C19 C18 -172.84(10) . . . . ? C17 C18 C19 N4 2.88(18) . . . . ? C17 C18 C19 C20 -169.98(14) . . . . ? N1 C1 C20 C19 6.3(2) . . . . ? C2 C1 C20 C19 -170.96(15) . . . . ? N1 C1 C20 C21 -178.95(14) . . . . ? C2 C1 C20 C21 3.8(2) . . . . ? N4 C19 C20 C1 -5.4(2) . . . . ? C18 C19 C20 C1 166.30(15) . . . . ? N4 C19 C20 C21 179.83(14) . . . . ? C18 C19 C20 C21 -8.4(2) . . . . ? C1 C20 C21 C26 109.67(17) . . . . ? C19 C20 C21 C26 -75.28(19) . . . . ? C1 C20 C21 C22 -70.10(19) . . . . ? C19 C20 C21 C22 104.95(17) . . . . ? C26 C21 C22 C23 -1.1(2) . . . . ? C20 C21 C22 C23 178.70(14) . . . . ? C21 C22 C23 C24 0.0(2) . . . . ? C22 C23 C24 C25 1.3(3) . . . . ? C23 C24 C25 C26 -1.6(3) . . . . ? C22 C21 C26 C25 0.8(2) . . . . ? C20 C21 C26 C25 -178.97(15) . . . . ? C24 C25 C26 C21 0.5(3) . . . . ? C4 C5 C27 C32 -71.0(2) . . . . ? C6 C5 C27 C32 107.87(17) . . . . ? C4 C5 C27 C28 111.13(17) . . . . ? C6 C5 C27 C28 -70.02(19) . . . . ? C32 C27 C28 C29 -2.5(2) . . . . ? C5 C27 C28 C29 175.40(15) . . . . ? C27 C28 C29 C30 0.9(3) . . . . ? C28 C29 C30 C31 1.5(3) . . . . ? C29 C30 C31 C32 -2.1(3) . . . . ? C28 C27 C32 C31 1.9(2) . . . . ? C5 C27 C32 C31 -175.97(15) . . . . ? C30 C31 C32 C27 0.3(3) . . . . ? C9 C10 C33 C34 68.2(2) . . . . ? C11 C10 C33 C34 -107.99(18) . . . . ? C9 C10 C33 C38 -115.11(17) . . . . ? C11 C10 C33 C38 68.7(2) . . . . ? C38 C33 C34 C35 -0.4(3) . . . . ? C10 C33 C34 C35 176.25(16) . . . . ? C33 C34 C35 C36 0.4(3) . . . . ? C34 C35 C36 C37 0.1(3) . . . . ? C35 C36 C37 C38 -0.5(3) . . . . ? C36 C37 C38 C33 0.5(3) . . . . ? C34 C33 C38 C37 0.0(2) . . . . ? C10 C33 C38 C37 -176.67(15) . . . . ? C16 C15 C39 C44 59.7(2) . . . . ? C14 C15 C39 C44 -122.18(16) . . . . ? C16 C15 C39 C40 -119.60(16) . . . . ? C14 C15 C39 C40 58.53(19) . . . . ? C44 C39 C40 C41 0.4(2) . . . . ? C15 C39 C40 C41 179.76(14) . . . . ? C39 C40 C41 C42 -0.1(2) . . . . ? C40 C41 C42 C43 -0.5(3) . . . . ? C41 C42 C43 C44 0.7(2) . . . . ? C42 C43 C44 C39 -0.4(2) . . . . ? C40 C39 C44 C43 -0.2(2) . . . . ? C15 C39 C44 C43 -179.47(14) . . . . ? C49 N5 C45 C46 0.6(2) . . . . ? C49 N5 C45 C50 -179.26(14) . . . . ? N5 C45 C46 C47 -1.5(2) . . . . ? C50 C45 C46 C47 178.31(16) . . . . ? C45 C46 C47 C48 1.2(2) . . . . ? C45 C46 C47 C51 -177.96(16) . . . . ? C46 C47 C48 C49 -0.1(2) . . . . ? C51 C47 C48 C49 179.09(16) . . . . ? C45 N5 C49 C48 0.6(2) . . . . ? C45 N5 C49 C52 -178.88(14) . . . . ? C47 C48 C49 N5 -0.8(2) . . . . ? C47 C48 C49 C52 178.61(15) . . . . ?