#------------------------------------------------------------------------------ #$Date: 2026-03-26 01:51:31 +0000 (Thu, 26 Mar 2026) $ #$Revision: 305181 $ #$URL: svn://www.crystallography.net/cod/cif/7/06/43/7064354.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_7064354 loop_ _publ_author_name 'Rayasingh, Amlan Ranjan' 'Manivannan, Vadivelu' _publ_section_title ; Synthesis, Structure, Catalytic, and Bio Activity of Some Metal Complexes and Coordination Polymer Featuring Imidazo[1,5-a]pyridine and Chromen[4,3-b]pyrrole-4-one ; _journal_name_full 'New Journal of Chemistry' _journal_paper_doi 10.1039/D6NJ00431H _journal_year 2026 _chemical_formula_moiety 'C32 H18 N4 O4 Pt, 2[CH4O]' _chemical_formula_sum 'C34 H26 N4 O6 Pt' _chemical_formula_weight 781.68 _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 geom _audit_creation_date 2025-04-18 _audit_creation_method ; Olex2 1.5 (compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817) ; _audit_update_record ; 2025-05-24 deposited with the CCDC. 2026-03-24 downloaded from the CCDC. ; _cell_angle_alpha 80.129(11) _cell_angle_beta 82.246(11) _cell_angle_gamma 75.657(11) _cell_formula_units_Z 6 _cell_length_a 13.760(5) _cell_length_b 14.324(5) _cell_length_c 22.444(8) _cell_measurement_reflns_used 9349 _cell_measurement_temperature 296.00 _cell_measurement_theta_max 26.30 _cell_measurement_theta_min 2.29 _cell_volume 4202(3) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 296.00 _diffrn_detector_area_resol_mean 7.9 _diffrn_measured_fraction_theta_full 0.990 _diffrn_measured_fraction_theta_max 0.979 _diffrn_measurement_device_type CMOS-PHOTONII-7 _diffrn_measurement_method '\w and \f scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0745 _diffrn_reflns_av_unetI/netI 0.0869 _diffrn_reflns_Laue_measured_fraction_full 0.990 _diffrn_reflns_Laue_measured_fraction_max 0.979 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_number 81649 _diffrn_reflns_point_group_measured_fraction_full 0.990 _diffrn_reflns_point_group_measured_fraction_max 0.979 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.386 _diffrn_reflns_theta_min 1.483 _diffrn_source 'X-ray Tube' _diffrn_source_current 1.4 _diffrn_source_power 0.07 _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 5.066 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_correction_T_min 0.5496 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1134 before and 0.0658 after correction. The Ratio of minimum to maximum transmission is 0.7373. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'metallic yellow' _exptl_crystal_colour_lustre metallic _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.853 _exptl_crystal_description needle _exptl_crystal_F_000 2304 _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.04 _refine_diff_density_max 3.285 _refine_diff_density_min -1.159 _refine_diff_density_rms 0.177 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.107 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1108 _refine_ls_number_reflns 16862 _refine_ls_number_restraints 1986 _refine_ls_restrained_S_all 1.050 _refine_ls_R_factor_all 0.1325 _refine_ls_R_factor_gt 0.0727 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+52.8378P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1073 _refine_ls_wR_factor_ref 0.1301 _reflns_Friedel_coverage 0.000 _reflns_number_gt 10515 _reflns_number_total 16862 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL 75A7PT_0m_a.res in P-1 75a7pt_0m_a.res created by SHELXL-2018/3 at 18:00:19 on 18-Apr-2025 REM Old TITL 75A7PT_0m in P-1 REM SHELXT solution in P-1: R1 0.212, Rweak 0.090, Alpha 0.079 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C102 N14 N25 Pt3 CELL 0.71073 13.7597 14.3242 22.4437 80.129 82.246 75.657 ZERR 6 0.0049 0.005 0.0079 0.011 0.011 0.011 LATT 1 SFAC C H N O Pt UNIT 204 156 24 36 6 RIGU SIMU L.S. 10 PLAN 1 SIZE 0.14 0.08 0.04 TEMP 22.85 CONF BOND LIST 4 MORE -1 BOND $H fmap 2 acta ABIN OMIT -16 -8 2 OMIT -16 -7 1 OMIT -15 -9 1 OMIT -15 -6 8 OMIT -14 -3 13 OMIT -7 -7 20 OMIT -5 -6 23 OMIT -3 1 0 OMIT -3 2 5 OMIT -2 2 1 OMIT -2 2 27 OMIT -2 3 2 OMIT -1 -14 13 OMIT -1 -11 18 OMIT -1 -2 2 OMIT -1 0 1 OMIT -1 0 2 OMIT -1 0 3 OMIT -1 1 0 OMIT -1 1 1 OMIT -1 2 0 OMIT -1 2 1 OMIT -1 2 2 OMIT -1 3 1 OMIT 0 -1 1 OMIT 0 -1 3 OMIT 0 0 1 OMIT 0 1 1 OMIT 0 2 1 OMIT 0 3 0 OMIT 1 -2 2 OMIT 1 -1 2 OMIT 1 -1 3 OMIT 1 -1 4 OMIT 1 0 0 OMIT 1 0 2 OMIT 1 0 3 OMIT 1 1 0 OMIT 1 3 3 OMIT 1 14 20 OMIT 2 -1 4 OMIT 2 0 0 OMIT 2 0 2 OMIT 2 0 3 OMIT 2 0 7 OMIT 2 1 0 OMIT 2 1 1 OMIT 2 1 2 OMIT 2 2 1 OMIT 2 2 2 OMIT 2 2 6 OMIT 2 3 4 OMIT 2 9 26 OMIT 2 14 19 OMIT 3 0 1 OMIT 3 1 1 OMIT 3 1 2 OMIT 3 2 2 OMIT 3 12 20 OMIT 4 -1 1 OMIT 4 0 0 OMIT 4 17 7 OMIT 5 1 3 OMIT 5 11 23 OMIT 6 -7 21 OMIT 6 -5 23 OMIT 6 -3 25 OMIT 6 9 25 OMIT 7 -8 16 OMIT 7 -4 23 OMIT 8 -13 1 OMIT 8 11 23 OMIT 9 -4 20 OMIT 9 -3 21 OMIT 9 3 22 OMIT 9 5 24 OMIT 10 -9 10 OMIT 10 -7 16 OMIT 10 0 22 OMIT 10 16 9 OMIT 10 16 10 OMIT 10 16 12 OMIT 11 -4 18 OMIT 11 -1 21 OMIT 11 2 23 OMIT 11 12 18 OMIT 11 16 8 OMIT 12 -5 15 OMIT 12 -3 18 OMIT 12 6 22 OMIT 12 15 6 OMIT 13 -3 15 OMIT 13 -1 17 OMIT 13 13 2 OMIT 13 14 0 OMIT 14 -5 5 OMIT 14 0 16 OMIT 14 10 13 OMIT 14 12 11 OMIT 15 4 16 OMIT 15 10 13 OMIT 15 12 4 OMIT 17 3 3 OMIT 17 6 1 REM REM REM WGHT 0.000000 52.837799 FVAR 0.16750 PT1 5 0.257907 0.788062 0.220317 11.00000 0.03408 0.03931 = 0.04556 -0.00375 -0.01403 -0.00716 PT2 5 0.354599 0.079428 0.273416 11.00000 0.03521 0.03897 = 0.05655 -0.00523 -0.00003 -0.01004 PT3 5 0.204482 0.460200 0.289429 11.00000 0.05178 0.04174 = 0.05790 -0.00907 -0.00219 -0.01452 N3 3 0.107820 0.790981 0.238030 11.00000 0.03509 0.04642 = 0.06080 -0.00163 -0.02294 -0.00784 N4 3 0.252324 0.718562 0.305214 11.00000 0.03660 0.03344 = 0.04155 -0.00830 -0.01541 -0.01487 N2 3 0.403559 0.795737 0.203505 11.00000 0.03465 0.04447 = 0.04953 -0.00292 -0.01283 -0.01097 N1 3 0.264684 0.844515 0.130679 11.00000 0.04847 0.04069 = 0.04243 -0.00091 -0.01615 -0.00919 O3 4 0.410791 0.589221 0.451762 11.00000 0.06411 0.06054 = 0.04992 0.00558 -0.02190 -0.01012 O4 4 0.269746 0.620475 0.511796 11.00000 0.08476 0.10535 = 0.04770 0.00056 -0.00337 0.00290 O2 4 0.750976 0.737710 0.176997 11.00000 0.03612 0.12958 = 0.13094 -0.01464 0.00536 -0.01549 N21 3 0.385370 0.052137 0.185192 11.00000 0.05328 0.03674 = 0.05709 -0.00529 0.01045 -0.01516 N16 3 0.316863 0.125915 0.354300 11.00000 0.03734 0.03973 = 0.06129 -0.00379 -0.00654 -0.01704 N23 3 0.222243 0.063728 0.255373 11.00000 0.03245 0.04463 = 0.05098 -0.00767 -0.00181 -0.00455 O19 4 -0.110807 0.090509 0.228851 11.00000 0.06562 0.16533 = 0.13899 0.03690 -0.04175 -0.05032 N25 3 0.136816 0.537005 0.217327 11.00000 0.05490 0.04328 = 0.05378 -0.01737 -0.00745 -0.00670 C10 1 0.417129 0.611016 0.341278 11.00000 0.04444 0.03004 = 0.05111 -0.00061 -0.01310 -0.00504 O1 4 0.677054 0.761024 0.268679 11.00000 0.03819 0.08098 = 0.10687 0.00022 -0.02727 -0.01108 O6 4 -0.064216 0.035334 0.321230 11.00000 0.04438 0.09208 = 0.10195 0.00491 -0.00368 -0.03003 N5 3 0.493110 0.076013 0.298204 11.00000 0.03180 0.04384 = 0.08561 0.00295 -0.00293 -0.00971 O5 4 0.094802 0.241330 0.481577 11.00000 0.07883 0.07526 = 0.05611 -0.02146 0.01769 -0.02992 N6 3 0.321245 0.374492 0.247117 11.00000 0.04966 0.04251 = 0.05199 -0.00050 -0.00425 -0.02107 O7 4 0.453301 0.291992 0.083269 11.00000 0.09042 0.07213 = 0.06188 -0.01419 0.00090 -0.00254 N8 3 0.289648 0.397411 0.360554 11.00000 0.07355 0.03271 = 0.05699 -0.00419 -0.00608 -0.02074 C47 1 0.491630 0.311778 0.241816 11.00000 0.04999 0.04847 = 0.06479 -0.01010 -0.00827 -0.01418 AFIX 43 H47 2 0.558059 0.291954 0.251325 11.00000 -1.20000 AFIX 0 O10 4 0.598961 0.247787 0.120673 11.00000 0.07637 0.12013 = 0.09671 -0.02058 0.01052 0.00807 O11 4 0.167426 0.629466 0.033722 11.00000 0.11276 0.08799 = 0.07605 0.00915 -0.02504 -0.02247 C5 1 0.075714 0.781671 0.299148 11.00000 0.04040 0.05495 = 0.05596 -0.00092 -0.01486 -0.01011 C4 1 -0.026992 0.798726 0.318668 11.00000 0.03924 0.06008 = 0.08868 -0.01181 -0.00616 -0.01912 AFIX 43 H4 2 -0.048224 0.793216 0.359990 11.00000 -1.20000 AFIX 0 C3 1 -0.095074 0.823051 0.277874 11.00000 0.04489 0.07267 = 0.11407 -0.01062 -0.02154 -0.01637 AFIX 43 H3 2 -0.163511 0.838472 0.290799 11.00000 -1.20000 AFIX 0 C2 1 -0.063727 0.825206 0.216913 11.00000 0.04540 0.08172 = 0.10418 -0.00344 -0.03984 -0.02066 AFIX 43 H2 2 -0.110381 0.837999 0.188485 11.00000 -1.20000 AFIX 0 C1 1 0.037543 0.808148 0.198836 11.00000 0.05024 0.05336 = 0.07144 0.00795 -0.03384 -0.01427 AFIX 43 H1 2 0.058551 0.808466 0.157656 11.00000 -1.20000 AFIX 0 C9 1 0.313946 0.663526 0.347691 11.00000 0.04394 0.01424 = 0.05216 -0.00127 -0.01543 -0.01490 C8 1 0.260380 0.664286 0.405741 11.00000 0.05173 0.04316 = 0.04990 -0.00198 -0.01254 -0.01044 C7 1 0.158988 0.711731 0.397508 11.00000 0.04798 0.04329 = 0.05272 -0.01034 -0.00874 -0.01261 AFIX 43 H7 2 0.105036 0.720188 0.427404 11.00000 -1.20000 AFIX 0 C6 1 0.156698 0.742646 0.336391 11.00000 0.03906 0.03384 = 0.05415 -0.00383 -0.01155 -0.01240 C32 1 0.485395 0.790229 0.232186 11.00000 0.03327 0.02744 = 0.06260 0.00047 -0.01700 -0.00658 C24 1 0.572590 0.774643 0.190353 11.00000 0.03463 0.05066 = 0.07610 -0.00283 -0.00619 -0.00734 C23 1 0.540780 0.773971 0.133022 11.00000 0.05127 0.05824 = 0.06358 -0.00278 0.00255 -0.00472 AFIX 43 H23 2 0.580943 0.764111 0.096823 11.00000 -1.20000 AFIX 0 C22 1 0.438803 0.790880 0.142523 11.00000 0.04890 0.03045 = 0.05095 -0.00114 -0.00403 -0.00178 C21 1 0.360550 0.818876 0.102551 11.00000 0.05565 0.03796 = 0.04367 -0.00576 -0.00749 -0.01565 C20 1 0.376709 0.827867 0.039390 11.00000 0.08435 0.05906 = 0.04251 0.00193 -0.00333 -0.01299 AFIX 43 H20 2 0.440708 0.804551 0.020745 11.00000 -1.20000 AFIX 0 C19 1 0.298557 0.870955 0.004722 11.00000 0.10629 0.08119 = 0.05156 0.00060 -0.02472 -0.02268 AFIX 43 H19 2 0.308799 0.876122 -0.037414 11.00000 -1.20000 AFIX 0 C18 1 0.203577 0.906942 0.033303 11.00000 0.08886 0.08447 = 0.06191 0.00773 -0.03535 -0.02080 AFIX 43 H18 2 0.150127 0.940386 0.010941 11.00000 -1.20000 AFIX 0 C17 1 0.191574 0.891255 0.095882 11.00000 0.05899 0.05181 = 0.06483 0.00623 -0.02759 -0.01265 AFIX 43 H17 2 0.128116 0.914926 0.115078 11.00000 -1.20000 AFIX 0 C15 1 0.463181 0.576896 0.394228 11.00000 0.05032 0.04378 = 0.05464 0.00823 -0.01692 -0.01380 C16 1 0.308009 0.623524 0.459549 11.00000 0.06135 0.04810 = 0.05005 -0.00072 -0.00985 -0.01412 C11 1 0.473154 0.586756 0.287456 11.00000 0.04588 0.03107 = 0.05271 -0.00627 -0.01238 -0.00796 AFIX 43 H11 2 0.443210 0.605273 0.251191 11.00000 -1.20000 AFIX 0 C12 1 0.573055 0.535350 0.286933 11.00000 0.04734 0.04704 = 0.06691 -0.01493 -0.00119 0.00228 AFIX 43 H12 2 0.610219 0.519484 0.250789 11.00000 -1.20000 AFIX 0 C13 1 0.616027 0.508279 0.341446 11.00000 0.04300 0.05246 = 0.08573 0.00332 -0.01436 0.00469 AFIX 43 H13 2 0.683583 0.475939 0.341231 11.00000 -1.20000 AFIX 0 C14 1 0.562787 0.527390 0.395235 11.00000 0.05710 0.04985 = 0.06783 0.01007 -0.02333 -0.00694 AFIX 43 H14 2 0.592496 0.507751 0.431551 11.00000 -1.20000 AFIX 0 C31 1 0.494265 0.802873 0.293107 11.00000 0.03730 0.04517 = 0.06319 -0.00090 -0.02219 -0.00325 C26 1 0.594217 0.785879 0.308160 11.00000 0.04180 0.04229 = 0.08908 0.00593 -0.03202 -0.01163 C25 1 0.670901 0.757722 0.208839 11.00000 0.03431 0.07197 = 0.09519 0.00986 -0.00898 -0.01557 C30 1 0.416676 0.832444 0.336050 11.00000 0.04449 0.03524 = 0.06458 -0.00786 -0.02415 -0.00412 AFIX 43 H30 2 0.350853 0.848952 0.325496 11.00000 -1.20000 AFIX 0 C29 1 0.433498 0.838417 0.394565 11.00000 0.08620 0.03585 = 0.06346 -0.00107 -0.03533 -0.00980 AFIX 43 H29 2 0.379725 0.856527 0.423328 11.00000 -1.20000 AFIX 0 C28 1 0.531993 0.816914 0.409566 11.00000 0.09510 0.04624 = 0.08076 -0.00111 -0.04813 -0.02241 AFIX 43 H28 2 0.543965 0.818174 0.449192 11.00000 -1.20000 AFIX 0 C27 1 0.612174 0.793776 0.366797 11.00000 0.06693 0.05594 = 0.09929 0.00464 -0.04999 -0.01308 AFIX 43 H27 2 0.677826 0.783454 0.376759 11.00000 -1.20000 AFIX 0 C66 1 0.475477 0.024857 0.152041 11.00000 0.06819 0.05775 = 0.07834 -0.02034 0.03084 -0.01730 AFIX 43 H66 2 0.533622 0.001906 0.172007 11.00000 -1.20000 AFIX 0 C49 1 0.482863 0.030215 0.090597 11.00000 0.10916 0.07210 = 0.07890 -0.02880 0.04073 -0.02635 AFIX 43 H49 2 0.545332 0.010387 0.069180 11.00000 -1.20000 AFIX 0 C50 1 0.399581 0.064297 0.060670 11.00000 0.12978 0.07371 = 0.06825 -0.02308 0.02776 -0.03537 AFIX 43 H50 2 0.405322 0.071827 0.018446 11.00000 -1.20000 AFIX 0 C51 1 0.306815 0.087791 0.092188 11.00000 0.10985 0.05589 = 0.04486 -0.01279 0.00056 -0.02865 AFIX 43 H51 2 0.248659 0.107871 0.072113 11.00000 -1.20000 AFIX 0 C36 1 0.301653 0.080926 0.154785 11.00000 0.06846 0.05178 = 0.04245 -0.00352 0.00131 -0.01369 C37 1 0.395981 0.096443 0.391059 11.00000 0.05270 0.02319 = 0.07335 -0.00222 -0.01765 -0.01881 C38 1 0.363481 0.113102 0.449423 11.00000 0.06689 0.06013 = 0.06434 0.00220 -0.02187 -0.02444 AFIX 43 H38 2 0.401599 0.097168 0.482470 11.00000 -1.20000 AFIX 0 C39 1 0.261377 0.158922 0.449260 11.00000 0.06578 0.04766 = 0.05735 -0.00887 -0.00633 -0.02584 C40 1 0.234806 0.168648 0.389009 11.00000 0.04864 0.03695 = 0.05735 -0.00487 -0.00233 -0.02278 C41 1 0.208789 0.086428 0.193657 11.00000 0.05779 0.03747 = 0.05002 0.00084 -0.00823 -0.01746 C42 1 0.132059 0.048799 0.284803 11.00000 0.03714 0.03905 = 0.06103 -0.01786 0.00244 -0.00994 C43 1 0.059280 0.068655 0.241831 11.00000 0.04450 0.05338 = 0.06682 -0.00391 -0.00272 -0.00650 C44 1 -0.041811 0.067217 0.261171 11.00000 0.04236 0.08139 = 0.10002 0.00457 -0.01072 -0.01675 C45 1 0.007670 0.003272 0.361626 11.00000 0.04451 0.04481 = 0.08211 -0.00638 0.00403 -0.01991 C46 1 0.110075 0.009839 0.346679 11.00000 0.03905 0.04775 = 0.06862 -0.00804 0.00593 -0.01184 C48 1 0.109120 0.093656 0.185232 11.00000 0.05850 0.06296 = 0.06149 -0.01551 -0.01260 -0.01791 AFIX 43 H48 2 0.080643 0.111884 0.148477 11.00000 -1.20000 AFIX 0 C33 1 0.582391 0.069991 0.264720 11.00000 0.03688 0.07228 = 0.11911 -0.00940 0.00291 -0.00947 AFIX 43 H33 2 0.582399 0.079415 0.222677 11.00000 -1.20000 AFIX 0 C34 1 0.673298 0.051014 0.287929 11.00000 0.03706 0.08941 = 0.15405 -0.00407 -0.00873 -0.01090 AFIX 43 H34 2 0.732889 0.045803 0.262347 11.00000 -1.20000 AFIX 0 C35 1 0.674718 0.039938 0.349137 11.00000 0.04475 0.09922 = 0.15940 0.00536 -0.03527 -0.01939 AFIX 43 H35 2 0.735621 0.023412 0.366332 11.00000 -1.20000 AFIX 0 C52 1 0.584569 0.053536 0.385466 11.00000 0.05877 0.08057 = 0.12547 -0.00033 -0.03676 -0.01782 AFIX 43 H52 2 0.584276 0.052280 0.427056 11.00000 -1.20000 AFIX 0 C53 1 0.494255 0.069097 0.360084 11.00000 0.04401 0.04576 = 0.09042 0.00595 -0.01945 -0.01353 C54 1 0.189807 0.196072 0.496267 11.00000 0.08671 0.06342 = 0.06194 -0.01833 0.00382 -0.03565 C55 1 0.069225 0.256405 0.422023 11.00000 0.06021 0.05420 = 0.06189 -0.01037 0.01121 -0.02532 C56 1 0.137061 0.224724 0.374076 11.00000 0.04967 0.03159 = 0.05690 -0.01342 -0.00187 -0.01664 O57 4 0.202717 0.191614 0.550115 11.00000 0.11173 0.13053 = 0.05923 -0.02834 0.00333 -0.05830 C58 1 -0.023427 -0.041614 0.418153 11.00000 0.06566 0.06386 = 0.08752 -0.00228 0.01707 -0.03067 AFIX 43 H58 2 -0.090216 -0.046084 0.427417 11.00000 -1.20000 AFIX 0 C59 1 0.043996 -0.079203 0.460158 11.00000 0.08147 0.06322 = 0.06633 -0.00416 0.01857 -0.02596 AFIX 43 H59 2 0.023186 -0.109883 0.497991 11.00000 -1.20000 AFIX 0 C60 1 0.144288 -0.071971 0.446777 11.00000 0.07347 0.04791 = 0.05976 -0.01643 0.01526 -0.01653 AFIX 43 H60 2 0.189796 -0.096707 0.475864 11.00000 -1.20000 AFIX 0 C61 1 0.175289 -0.028337 0.390690 11.00000 0.04589 0.03784 = 0.06235 -0.01141 0.00534 -0.01709 AFIX 43 H61 2 0.242317 -0.024409 0.382122 11.00000 -1.20000 AFIX 0 C62 1 -0.027548 0.305427 0.413010 11.00000 0.06021 0.05947 = 0.08576 -0.01896 0.01718 -0.01111 AFIX 43 H62 2 -0.072565 0.324394 0.445916 11.00000 -1.20000 AFIX 0 C63 1 -0.058421 0.326669 0.355969 11.00000 0.04328 0.06551 = 0.10238 -0.01310 0.00166 -0.00291 AFIX 43 H63 2 -0.125243 0.357424 0.350611 11.00000 -1.20000 AFIX 0 C64 1 0.007985 0.303203 0.306226 11.00000 0.05491 0.04949 = 0.08134 0.00313 -0.00629 -0.00343 AFIX 43 H64 2 -0.012310 0.321709 0.267206 11.00000 -1.20000 AFIX 0 C65 1 0.105090 0.251810 0.315194 11.00000 0.04759 0.03301 = 0.06245 -0.00838 -0.00105 -0.01549 AFIX 43 H65 2 0.150147 0.234772 0.281899 11.00000 -1.20000 AFIX 0 N66 3 0.067338 0.531337 0.329064 11.00000 0.07119 0.04350 = 0.07747 -0.01817 0.00322 -0.01839 C67 1 -0.005256 0.556251 0.289995 11.00000 0.05828 0.04728 = 0.08636 -0.01945 0.00449 -0.00995 C68 1 -0.106933 0.583206 0.311022 11.00000 0.06080 0.06048 = 0.11850 -0.00880 0.01111 -0.00795 AFIX 43 H68 2 -0.156201 0.596908 0.284175 11.00000 -1.20000 AFIX 0 C69 1 -0.133591 0.589323 0.371354 11.00000 0.07168 0.08807 = 0.12350 -0.01242 0.02874 -0.00641 AFIX 43 H69 2 -0.201117 0.605157 0.386306 11.00000 -1.20000 AFIX 0 C70 1 -0.059330 0.571776 0.409416 11.00000 0.09226 0.08126 = 0.10839 -0.02507 0.02578 -0.01631 AFIX 43 H70 2 -0.076202 0.579324 0.450133 11.00000 -1.20000 AFIX 0 C71 1 0.040303 0.542979 0.387663 11.00000 0.07959 0.05917 = 0.08341 -0.01989 0.01172 -0.02859 AFIX 43 H71 2 0.089967 0.531331 0.414067 11.00000 -1.20000 AFIX 0 C72 1 0.350589 0.342783 0.192170 11.00000 0.05799 0.04406 = 0.05220 -0.00585 -0.00664 -0.01533 C73 1 0.291923 0.341567 0.144126 11.00000 0.07524 0.03443 = 0.05622 -0.00239 -0.01484 -0.01502 C74 1 0.349636 0.318757 0.088538 11.00000 0.09143 0.04399 = 0.05719 -0.00468 -0.01120 -0.01060 C75 1 0.509165 0.278975 0.131617 11.00000 0.07330 0.05592 = 0.06830 -0.00764 0.00145 -0.00362 C76 1 0.454471 0.307245 0.187825 11.00000 0.06306 0.02562 = 0.06284 -0.00407 -0.01039 -0.00472 C78 1 0.033533 0.559198 0.228393 11.00000 0.05499 0.04304 = 0.08111 -0.01134 -0.01056 -0.00936 C79 1 0.161764 0.568022 0.157824 11.00000 0.06881 0.04547 = 0.05245 -0.01525 -0.01615 -0.01094 C80 1 0.072021 0.602784 0.129096 11.00000 0.07554 0.05045 = 0.07588 -0.00867 -0.02451 -0.00008 C81 1 -0.008513 0.598095 0.174139 11.00000 0.06196 0.06882 = 0.09255 -0.01726 -0.02213 0.00324 AFIX 43 H81 2 -0.076808 0.617310 0.168713 11.00000 -1.20000 AFIX 0 C82 1 0.387889 0.362732 0.341234 11.00000 0.07334 0.03209 = 0.05592 -0.00027 -0.01531 -0.02031 C83 1 0.463645 0.336151 0.381711 11.00000 0.08225 0.05239 = 0.06123 0.01437 -0.02339 -0.02858 AFIX 43 H83 2 0.530777 0.314300 0.367456 11.00000 -1.20000 AFIX 0 C84 1 0.437405 0.342841 0.441662 11.00000 0.10885 0.06469 = 0.06135 0.01032 -0.02939 -0.03023 AFIX 43 H84 2 0.486222 0.326961 0.468928 11.00000 -1.20000 AFIX 0 C85 1 0.336680 0.373731 0.461267 11.00000 0.11500 0.07169 = 0.05903 -0.00741 -0.01590 -0.02786 AFIX 43 H85 2 0.316703 0.378801 0.502081 11.00000 -1.20000 AFIX 0 C86 1 0.267560 0.396476 0.420644 11.00000 0.09208 0.06437 = 0.05835 -0.00049 -0.00734 -0.01067 AFIX 43 H86 2 0.199936 0.412615 0.435350 11.00000 -1.20000 AFIX 0 C87 1 0.407709 0.352285 0.277986 11.00000 0.05050 0.04007 = 0.05154 0.00309 -0.00602 -0.01971 C89 1 0.188246 0.356133 0.146829 11.00000 0.07622 0.04643 = 0.07296 -0.00311 -0.01935 -0.02684 AFIX 43 H89 2 0.149585 0.367055 0.183365 11.00000 -1.20000 AFIX 0 C90 1 0.140101 0.354840 0.095963 11.00000 0.10094 0.07108 = 0.09359 -0.01668 -0.04339 -0.01713 AFIX 43 H90 2 0.070488 0.363518 0.098494 11.00000 -1.20000 AFIX 0 C91 1 0.301578 0.322486 0.038811 11.00000 0.12084 0.07787 = 0.06876 -0.01627 -0.02690 -0.00704 AFIX 43 H91 2 0.338992 0.312754 0.001753 11.00000 -1.20000 AFIX 0 C92 1 0.256356 0.573344 0.124858 11.00000 0.08110 0.03127 = 0.05702 -0.01022 -0.00486 -0.01140 C93 1 0.256853 0.601581 0.061138 11.00000 0.09652 0.06141 = 0.05919 -0.00145 -0.00587 -0.02337 C94 1 0.073784 0.635156 0.065810 11.00000 0.09646 0.08059 = 0.08178 0.00230 -0.03674 -0.00922 C95 1 0.349646 0.554801 0.147753 11.00000 0.08019 0.04447 = 0.06611 -0.00544 -0.00477 -0.02322 AFIX 43 H95 2 0.352996 0.539077 0.189500 11.00000 -1.20000 AFIX 0 C96 1 0.437355 0.559085 0.110254 11.00000 0.08812 0.04757 = 0.08366 -0.00947 0.00900 -0.02479 AFIX 43 H96 2 0.498700 0.545842 0.126673 11.00000 -1.20000 AFIX 0 C97 1 0.433073 0.583246 0.048086 11.00000 0.10185 0.06304 = 0.08225 -0.01328 0.01751 -0.02726 AFIX 43 H97 2 0.492311 0.583105 0.022621 11.00000 -1.20000 AFIX 0 C98 1 0.343758 0.607048 0.023965 11.00000 0.11065 0.07879 = 0.06599 -0.00734 0.01158 -0.02839 AFIX 43 H98 2 0.341178 0.627016 -0.017579 11.00000 -1.20000 AFIX 0 O99 4 0.002561 0.663415 0.035749 11.00000 0.12444 0.15431 = 0.11706 0.01349 -0.06958 -0.00974 C57 1 0.197978 0.340542 0.042763 11.00000 0.12190 0.09078 = 0.08808 -0.03095 -0.04795 -0.02103 AFIX 43 H57 2 0.166768 0.343019 0.008077 11.00000 -1.20000 AFIX 0 HKLF 4 REM 75A7PT_0m_a.res in P-1 REM wR2 = 0.1301, GooF = S = 1.107, Restrained GooF = 1.050 for all data REM R1 = 0.0727 for 10515 Fo > 4sig(Fo) and 0.1325 for all 16862 data REM 1108 parameters refined using 1986 restraints END WGHT 0.0000 52.7439 REM Highest difference peak 3.285, deepest hole -1.159, 1-sigma level 0.177 Q1 1 0.4097 0.4110 0.2037 11.00000 0.05 3.29 REM The information below was added by Olex2. REM REM R1 = 0.0727 for 10515 Fo > 4sig(Fo) and 0.1325 for all 82239 data REM 1108 parameters refined using n/a restraints REM Highest difference peak 3.29, deepest hole -1.16 REM Mean Shift 0, Max Shift -0.001. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1325 REM R1_gt = 0.0727 REM wR_ref = 0.1301 REM GOOF = 1.107 REM Shift_max = -0.001 REM Shift_mean = 0 REM Reflections_all = 82239 REM Reflections_gt = 10515 REM Parameters = 1108 REM Hole = -1.16 REM Peak = 3.29 REM Flack = n/a ; _cod_data_source_file d6nj00431h2.cif _cod_data_source_block 3c _cod_database_code 7064354 _shelx_shelxl_version_number 2018/3 _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_max 0.823 _shelx_estimated_absorpt_t_min 0.537 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups 2. Uiso/Uaniso restraints and constraints All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A 3. Rigid body (RIGU) restrains All non-hydrogen atoms with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 4.a Aromatic/amide H refined with riding coordinates: C47(H47), C4(H4), C3(H3), C2(H2), C1(H1), C7(H7), C23(H23), C20(H20), C19(H19), C18(H18), C17(H17), C11(H11), C12(H12), C13(H13), C14(H14), C30(H30), C29(H29), C28(H28), C27(H27), C66(H66), C49(H49), C50(H50), C51(H51), C38(H38), C48(H48), C33(H33), C34(H34), C35(H35), C52(H52), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C68(H68), C69(H69), C70(H70), C71(H71), C81(H81), C83(H83), C84(H84), C85(H85), C86(H86), C89(H89), C90(H90), C91(H91), C95(H95), C96(H96), C97(H97), C98(H98), C57(H57) ; _smtbx_masks_special_details ; A solvent mask was calculated and 214 electrons were found in a volume of 746\%A^3^ in 1 void per unit cell. This is consistent with the presence of 2[CH4O] per Formula Unit which account for 216 electrons per unit cell. ; _smtbx_masks_void_probe_radius 1.2 _smtbx_masks_void_truncation_radius 1.2 _shelx_fab_file ; -16 -9 1 -7.5221 -3.6011 -16 -8 1 0.9914 -1.8167 -16 -8 2 14.4124 -2.6821 -16 -8 3 0.6667 -1.2920 -16 -7 1 0.8742 -0.4313 -16 -7 2 -2.0674 -1.1272 -16 -7 3 -5.8651 0.5393 -16 -7 4 11.2078 -0.2248 -16 -6 1 8.3667 2.6090 -16 -6 2 -1.2388 -0.1465 -16 -6 3 10.1374 -0.6794 -16 -6 4 6.8747 -1.4669 -16 -6 5 -5.5751 -0.8487 -16 -5 1 -11.6026 -0.1244 -16 -5 2 -13.5037 0.4084 -16 -5 3 4.1664 -0.6094 -16 -5 4 -3.2068 -0.7797 -16 -5 5 5.1313 -0.5564 -16 -5 6 4.1000 0.2559 -16 -4 1 -8.3234 -1.0380 -16 -4 2 -1.9866 0.1386 -16 -4 3 -4.4134 -1.7791 -16 -4 4 -6.9395 -1.3548 -16 -4 5 2.7545 -0.1365 -16 -4 6 -3.9239 0.9618 -16 -3 1 -9.4254 1.7587 -16 -3 2 -6.1978 1.4866 -16 -3 3 -2.1392 0.1664 -16 -3 4 4.5530 0.2741 -16 -3 5 -0.2579 0.8038 -16 -3 6 -4.0098 0.2902 -16 -2 1 -4.3845 2.4217 -16 -2 2 -3.3092 0.7857 -16 -2 3 0.1076 0.3874 -16 -2 4 -2.1229 -0.1625 -16 -2 5 3.0588 0.4726 -16 -2 6 8.4925 0.8682 -16 -1 1 -2.2036 3.0391 -16 -1 2 -1.3241 1.3513 -16 -1 3 2.2763 -0.1065 -16 -1 4 4.7811 0.4512 -16 -1 5 8.1828 -0.0958 -16 -1 6 0.3887 -0.2914 -16 0 1 -0.5858 -1.1728 -16 0 2 5.9306 -0.0219 -16 0 3 3.2602 0.5725 -16 0 4 4.3687 0.3664 -16 0 5 0.0639 -1.9107 -16 1 1 -3.8615 -2.1929 -16 1 2 -3.1664 -1.5790 -16 1 3 -8.4110 -0.9159 -15 -11 1 -6.1580 -0.3328 -15 -11 2 -1.3388 -1.0522 -15 -10 1 -3.9578 3.0556 -15 -10 2 -7.6010 0.4170 -15 -10 3 -0.4054 -0.0239 -15 -10 4 7.3682 -0.9182 -15 -9 1 1.7742 -0.2754 -15 -9 2 -4.0645 -1.3828 -15 -9 3 8.1127 -1.6350 -15 -9 4 5.1183 -2.2507 -15 -9 5 7.0968 -0.6706 -15 -9 6 2.7671 0.7234 -15 -8 1 -5.1387 0.4300 -15 -8 2 2.3330 0.9457 -15 -8 3 9.2633 -1.2331 -15 -8 4 1.1325 -0.2426 -15 -8 5 5.3289 0.0401 -15 -8 6 -8.3832 -0.2527 -15 -8 7 -5.1829 -0.6682 -15 -7 1 -4.5655 -1.2122 -15 -7 2 1.2956 0.1863 -15 -7 3 -12.6457 -0.2481 -15 -7 4 -5.9255 0.1506 -15 -7 5 3.4498 -0.7973 -15 -7 6 0.6903 0.1118 -15 -7 7 6.8145 -0.2824 -15 -7 8 -2.6423 -0.5573 -15 -6 1 -6.8180 4.4865 -15 -6 2 -1.2475 2.5206 -15 -6 3 -6.8462 2.1532 -15 -6 4 13.7417 0.4380 -15 -6 5 3.1984 -0.2760 -15 -6 6 1.7581 -0.9272 -15 -6 7 -2.0809 -0.7856 -15 -6 8 -6.8863 0.3019 -15 -6 9 -1.9183 0.5189 -15 -5 1 -0.7870 2.4062 -15 -5 2 -13.1312 0.5244 -15 -5 3 -9.0601 2.0910 -15 -5 4 -4.3832 0.0750 -15 -5 5 -14.8388 -0.0847 -15 -5 6 0.2944 -0.5423 -15 -5 7 -2.3422 0.2288 -15 -5 8 4.4296 -0.1179 -15 -5 9 8.8161 -0.2119 -15 -4 1 -0.9793 0.3729 -15 -4 2 -0.5055 1.0662 -15 -4 3 4.8370 1.2505 -15 -4 4 -7.0361 -0.1336 -15 -4 5 -1.7913 -0.5487 -15 -4 6 4.2332 -0.3753 -15 -4 7 -3.7559 0.3224 -15 -4 8 0.2850 0.8093 -15 -4 9 -2.1460 0.2732 -15 -4 10 0.1175 -1.0544 -15 -3 1 -2.7654 -4.5330 -15 -3 2 -6.0863 0.5179 -15 -3 3 -6.6349 0.0530 -15 -3 4 -2.9814 0.3598 -15 -3 5 3.7283 0.3186 -15 -3 6 -5.2008 0.5198 -15 -3 7 -2.6663 0.1210 -15 -3 8 4.8210 0.5494 -15 -3 9 7.3731 -0.3331 -15 -3 10 7.9755 -0.4661 -15 -2 1 -0.2824 -1.2240 -15 -2 2 1.2008 0.0675 -15 -2 3 1.9148 -0.3545 -15 -2 4 -0.8183 0.1893 -15 -2 5 -4.8111 0.0009 -15 -2 6 0.8626 -0.0921 -15 -2 7 8.0189 0.7918 -15 -2 8 3.8787 1.0881 -15 -2 9 -0.9080 -0.0380 -15 -2 10 -4.1691 -0.0594 -15 -1 1 1.4485 1.1115 -15 -1 2 -2.7585 0.4725 -15 -1 3 -0.0913 0.8456 -15 -1 4 -0.1260 0.2887 -15 -1 5 6.6064 1.0880 -15 -1 6 6.0333 0.1218 -15 -1 7 0.0350 0.4839 -15 -1 8 -1.5144 -0.6197 -15 -1 9 -1.9747 -0.2912 -15 -1 10 -1.7571 -0.2151 -15 0 1 0.6273 0.5089 -15 0 2 -1.5833 -1.7910 -15 0 3 4.6559 -0.9668 -15 0 4 0.8498 0.3568 -15 0 5 3.8276 0.0078 -15 0 6 -3.2094 -0.9120 -15 0 7 -2.9025 0.0555 -15 0 8 -6.2756 -1.2099 -15 0 9 -7.1392 -0.5524 -15 1 1 4.6557 -1.2872 -15 1 2 4.2240 -1.2461 -15 1 3 -3.0383 -1.4798 -15 1 4 -6.6157 -1.1021 -15 1 5 -6.1650 -1.8838 -15 1 6 -8.4699 0.5334 -15 1 7 -2.4949 0.5038 -15 1 8 -0.2249 0.1262 -15 2 1 -9.4012 -3.0685 -15 2 2 -4.0478 -1.1975 -15 2 3 -4.5649 -0.8343 -15 2 4 2.6192 -1.0691 -15 2 5 1.5606 -0.2447 -15 2 6 3.3846 1.2154 -15 2 7 4.1459 -0.0244 -15 3 1 3.5764 1.0129 -15 3 2 8.2625 0.7743 -15 3 3 5.0191 -0.8804 -15 3 4 2.3769 -0.3994 -15 3 5 -2.9606 1.4868 -15 3 6 -1.6607 0.8316 -15 4 1 7.7347 2.2953 -15 4 2 2.5663 0.3334 -15 4 3 0.7624 0.4848 -14 -12 1 6.3362 0.3294 -14 -12 2 1.3561 2.3609 -14 -12 3 -5.7681 1.4318 -14 -11 1 -2.2206 -0.0342 -14 -11 2 -0.9142 1.0395 -14 -11 3 4.3057 -0.7774 -14 -11 4 5.4443 0.1674 -14 -11 5 2.5383 0.2667 -14 -11 6 4.9961 -0.1405 -14 -10 1 -0.5737 0.5616 -14 -10 2 -1.5154 2.0670 -14 -10 3 -7.2806 1.4399 -14 -10 4 -3.1706 1.2178 -14 -10 5 5.9781 -0.4927 -14 -10 6 9.8596 -0.3908 -14 -10 7 5.6935 -0.3267 -14 -9 1 6.2824 2.9399 -14 -9 2 -0.3875 0.3127 -14 -9 3 -0.9183 1.2836 -14 -9 4 6.9966 0.0693 -14 -9 5 6.7039 -0.9575 -14 -9 6 8.8659 -0.4587 -14 -9 7 1.6991 0.1397 -14 -9 8 -5.1246 0.9278 -14 -9 9 -9.9933 0.7181 -14 -8 1 0.3735 0.7549 -14 -8 2 -8.0304 0.7625 -14 -8 3 -1.0141 1.8230 -14 -8 4 -1.8709 0.5119 -14 -8 5 0.4770 1.2366 -14 -8 6 2.1634 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5.3035 0.3739 16 6 4 -1.9782 -0.4674 16 6 5 -5.6425 0.0424 16 6 6 -9.3414 0.1700 16 6 7 -3.2189 0.0200 16 6 8 3.7659 -0.2868 16 6 9 3.5138 0.1192 16 6 10 1.1958 -0.8594 16 6 11 0.3085 -0.0995 16 6 12 -3.4500 0.6336 16 6 13 -11.2065 1.4896 16 7 0 -2.5298 2.8212 16 7 1 5.2022 0.6955 16 7 2 2.4635 -1.8112 16 7 3 4.4990 -1.7787 16 7 4 2.9983 -1.7013 16 7 5 2.1898 -0.3505 16 7 6 -0.8653 0.2481 16 7 7 7.2399 -0.2736 16 7 8 1.8566 0.0792 16 7 9 0.3311 -0.5305 16 7 10 -1.6104 -0.3981 16 7 11 -0.6775 0.0821 16 7 12 -2.8141 0.1103 16 7 13 0.1158 0.1263 16 8 0 0.2174 2.0461 16 8 1 0.7403 -1.0746 16 8 2 6.1315 -0.8091 16 8 3 6.6281 -2.1349 16 8 4 1.3488 -1.1091 16 8 5 -2.1955 -0.3118 16 8 6 4.4848 -0.7026 16 8 7 0.1030 -1.0313 16 8 8 -5.8980 0.1729 16 8 9 0.8858 -0.3749 16 8 10 7.2043 -0.5095 16 8 11 4.9935 -1.0523 16 8 12 -2.7768 -0.2724 16 9 0 0.0718 2.4243 16 9 1 2.3544 -0.4386 16 9 2 6.4616 -1.8617 16 9 3 2.0188 -1.4462 16 9 4 9.0466 0.3607 16 9 5 12.9359 -0.8627 16 9 6 8.4403 -1.3687 16 9 7 -3.4121 -0.1625 16 9 8 1.1509 -0.2225 16 9 9 1.0722 -0.8232 16 9 10 -2.9732 0.2222 16 9 11 -9.1387 1.5715 16 10 1 -8.0954 -0.7032 16 10 2 -9.2724 0.2567 16 10 3 -4.1552 1.3410 16 10 4 3.7122 -0.7623 16 10 5 -2.8785 -1.0034 16 10 6 -5.6474 0.4993 16 10 7 -2.5701 1.2121 16 10 8 1.4187 -0.0256 17 2 2 -1.6405 -0.8053 17 2 3 -4.8770 0.0096 17 2 4 4.9427 -0.7473 17 2 5 0.0362 0.0515 17 3 0 -3.2139 -0.5816 17 3 1 -7.7924 0.3834 17 3 2 -19.9990 0.2348 17 3 3 -10.3743 0.1395 17 3 4 -6.7512 -0.0243 17 3 5 -5.0937 0.5112 17 3 6 1.5812 -1.3726 17 3 7 2.0471 -1.5295 17 4 0 -9.0220 2.9475 17 4 1 -11.6758 0.4166 17 4 2 -0.3383 -0.4486 17 4 3 11.7240 -0.5224 17 4 4 0.5474 0.7658 17 4 5 4.6127 -0.4002 17 4 6 -0.4886 -1.6554 17 4 7 0.0713 -1.4001 17 5 0 -0.4166 1.4141 17 5 1 -1.0961 -1.3627 17 5 2 2.7417 -0.3121 17 5 3 -8.2865 -0.3998 17 5 4 -2.8378 0.1519 17 5 5 7.6395 -0.9905 17 5 6 7.0588 -0.7450 17 5 7 6.1863 -0.7643 17 5 8 -1.0603 -1.0597 17 6 1 0.0521 -0.9662 17 6 2 5.7258 -0.0128 17 6 3 6.8955 -0.2118 17 6 4 14.1823 -0.0410 17 6 5 3.8842 -0.2675 17 6 6 -1.5330 0.1376 17 6 7 -7.4345 0.4007 17 7 4 -0.0631 -1.2600 17 7 5 -1.8644 -1.2642 0 0 0 0.0 0.0 ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.25791(3) 0.78806(3) 0.22032(2) 0.03920(12) Uani 1 1 d . U . . . Pt2 Pt 0.35460(3) 0.07943(3) 0.27342(2) 0.04393(13) Uani 1 1 d . U . . . Pt3 Pt 0.20448(4) 0.46020(3) 0.28943(2) 0.04987(14) Uani 1 1 d . U . . . N3 N 0.1078(6) 0.7910(6) 0.2380(4) 0.047(2) Uani 1 1 d . U . . . N4 N 0.2523(6) 0.7186(6) 0.3052(4) 0.0345(18) Uani 1 1 d . U . . . N2 N 0.4036(6) 0.7957(6) 0.2035(4) 0.042(2) Uani 1 1 d . U . . . N1 N 0.2647(7) 0.8445(6) 0.1307(4) 0.044(2) Uani 1 1 d . U . . . O3 O 0.4108(6) 0.5892(6) 0.4518(4) 0.059(2) Uani 1 1 d . U . . . O4 O 0.2697(7) 0.6205(7) 0.5118(4) 0.085(3) Uani 1 1 d . U . . . O2 O 0.7510(7) 0.7377(8) 0.1770(5) 0.101(3) Uani 1 1 d . U . . . N21 N 0.3854(7) 0.0521(6) 0.1852(4) 0.050(2) Uani 1 1 d . U . . . N16 N 0.3169(6) 0.1259(6) 0.3543(4) 0.045(2) Uani 1 1 d . U . . . N23 N 0.2222(6) 0.0637(6) 0.2554(4) 0.044(2) Uani 1 1 d . U . . . O19 O -0.1108(8) 0.0905(10) 0.2289(6) 0.123(4) Uani 1 1 d . U . . . N25 N 0.1368(7) 0.5370(6) 0.2173(4) 0.050(2) Uani 1 1 d . U . . . C10 C 0.4171(8) 0.6110(7) 0.3413(5) 0.042(2) Uani 1 1 d . U . . . O1 O 0.6771(6) 0.7610(7) 0.2687(5) 0.076(2) Uani 1 1 d . U . . . O6 O -0.0642(6) 0.0353(7) 0.3212(5) 0.080(3) Uani 1 1 d . U . . . N5 N 0.4931(6) 0.0760(7) 0.2982(5) 0.055(2) Uani 1 1 d . U . . . O5 O 0.0948(7) 0.2413(6) 0.4816(4) 0.069(2) Uani 1 1 d . U . . . N6 N 0.3212(7) 0.3745(6) 0.2471(4) 0.047(2) Uani 1 1 d . U . . . O7 O 0.4533(8) 0.2920(7) 0.0833(4) 0.078(3) Uani 1 1 d . U . . . N8 N 0.2896(8) 0.3974(6) 0.3606(4) 0.053(2) Uani 1 1 d . U . . . C47 C 0.4916(9) 0.3118(8) 0.2418(5) 0.053(3) Uani 1 1 d . U . . . H47 H 0.558059 0.291954 0.251325 0.064 Uiso 1 1 calc R U . . . O10 O 0.5990(8) 0.2478(8) 0.1207(5) 0.104(4) Uani 1 1 d . U . . . O11 O 0.1674(9) 0.6295(8) 0.0337(5) 0.093(3) Uani 1 1 d . U . . . C5 C 0.0757(8) 0.7817(8) 0.2991(5) 0.050(3) Uani 1 1 d . U . . . C4 C -0.0270(8) 0.7987(9) 0.3187(6) 0.061(3) Uani 1 1 d . U . . . H4 H -0.048224 0.793216 0.359990 0.073 Uiso 1 1 calc R U . . . C3 C -0.0951(10) 0.8231(10) 0.2779(7) 0.076(4) Uani 1 1 d . U . . . H3 H -0.163511 0.838472 0.290799 0.091 Uiso 1 1 calc R U . . . C2 C -0.0637(9) 0.8252(10) 0.2169(7) 0.074(4) Uani 1 1 d . U . . . H2 H -0.110381 0.837999 0.188485 0.089 Uiso 1 1 calc R U . . . C1 C 0.0375(9) 0.8081(8) 0.1988(6) 0.057(3) Uani 1 1 d . U . . . H1 H 0.058551 0.808466 0.157656 0.069 Uiso 1 1 calc R U . . . C9 C 0.3139(8) 0.6635(6) 0.3477(5) 0.035(2) Uani 1 1 d . U . . . C8 C 0.2604(9) 0.6643(8) 0.4057(5) 0.048(2) Uani 1 1 d . U . . . C7 C 0.1590(8) 0.7117(8) 0.3975(5) 0.047(2) Uani 1 1 d . U . . . H7 H 0.105036 0.720188 0.427404 0.056 Uiso 1 1 calc R U . . . C6 C 0.1567(8) 0.7426(7) 0.3364(5) 0.041(2) Uani 1 1 d . U . . . C32 C 0.4854(7) 0.7902(7) 0.2322(5) 0.041(2) Uani 1 1 d . U . . . C24 C 0.5726(8) 0.7746(8) 0.1904(6) 0.055(3) Uani 1 1 d . U . . . C23 C 0.5408(9) 0.7740(9) 0.1330(6) 0.061(3) Uani 1 1 d . U . . . H23 H 0.580943 0.764111 0.096823 0.073 Uiso 1 1 calc R U . . . C22 C 0.4388(8) 0.7909(7) 0.1425(5) 0.045(2) Uani 1 1 d . U . . . C21 C 0.3606(9) 0.8189(8) 0.1026(5) 0.045(2) Uani 1 1 d . U . . . C20 C 0.3767(11) 0.8279(9) 0.0394(5) 0.064(3) Uani 1 1 d . U . . . H20 H 0.440708 0.804551 0.020745 0.077 Uiso 1 1 calc R U . . . C19 C 0.2986(12) 0.8710(10) 0.0047(6) 0.079(4) Uani 1 1 d . U . . . H19 H 0.308799 0.876122 -0.037414 0.095 Uiso 1 1 calc R U . . . C18 C 0.2036(12) 0.9069(11) 0.0333(6) 0.078(4) Uani 1 1 d . U . . . H18 H 0.150127 0.940386 0.010941 0.093 Uiso 1 1 calc R U . . . C17 C 0.1916(9) 0.8913(8) 0.0959(6) 0.058(3) Uani 1 1 d . U . . . H17 H 0.128116 0.914926 0.115078 0.070 Uiso 1 1 calc R U . . . C15 C 0.4632(9) 0.5769(8) 0.3942(5) 0.050(3) Uani 1 1 d . U . . . C16 C 0.3080(10) 0.6235(8) 0.4595(6) 0.053(3) Uani 1 1 d . U . . . C11 C 0.4732(8) 0.5868(7) 0.2875(5) 0.043(2) Uani 1 1 d . U . . . H11 H 0.443210 0.605273 0.251191 0.051 Uiso 1 1 calc R U . . . C12 C 0.5731(9) 0.5354(8) 0.2869(6) 0.056(3) Uani 1 1 d . U . . . H12 H 0.610219 0.519484 0.250789 0.067 Uiso 1 1 calc R U . . . C13 C 0.6160(9) 0.5083(9) 0.3414(6) 0.064(3) Uani 1 1 d . U . . . H13 H 0.683583 0.475939 0.341231 0.077 Uiso 1 1 calc R U . . . C14 C 0.5628(9) 0.5274(8) 0.3952(6) 0.060(3) Uani 1 1 d . U . . . H14 H 0.592496 0.507751 0.431551 0.072 Uiso 1 1 calc R U . . . C31 C 0.4943(8) 0.8029(8) 0.2931(5) 0.049(3) Uani 1 1 d . U . . . C26 C 0.5942(9) 0.7859(8) 0.3082(6) 0.057(3) Uani 1 1 d . U . . . C25 C 0.6709(9) 0.7577(10) 0.2088(7) 0.069(3) Uani 1 1 d . U . . . C30 C 0.4167(8) 0.8324(7) 0.3361(5) 0.047(3) Uani 1 1 d . U . . . H30 H 0.350853 0.848952 0.325496 0.057 Uiso 1 1 calc R U . . . C29 C 0.4335(10) 0.8384(8) 0.3946(6) 0.061(3) Uani 1 1 d . U . . . H29 H 0.379725 0.856527 0.423328 0.073 Uiso 1 1 calc R U . . . C28 C 0.5320(11) 0.8169(9) 0.4096(7) 0.070(3) Uani 1 1 d . U . . . H28 H 0.543965 0.818174 0.449192 0.084 Uiso 1 1 calc R U . . . C27 C 0.6122(11) 0.7938(9) 0.3668(7) 0.072(3) Uani 1 1 d . U . . . H27 H 0.677826 0.783454 0.376759 0.087 Uiso 1 1 calc R U . . . C66 C 0.4755(10) 0.0249(9) 0.1520(6) 0.070(3) Uani 1 1 d . U . . . H66 H 0.533622 0.001906 0.172007 0.084 Uiso 1 1 calc R U . . . C49 C 0.4829(13) 0.0302(11) 0.0906(7) 0.088(4) Uani 1 1 d . U . . . H49 H 0.545332 0.010387 0.069180 0.106 Uiso 1 1 calc R U . . . C50 C 0.3996(14) 0.0643(11) 0.0607(7) 0.090(4) Uani 1 1 d . U . . . H50 H 0.405322 0.071827 0.018446 0.109 Uiso 1 1 calc R U . . . C51 C 0.3068(12) 0.0878(9) 0.0922(6) 0.069(3) Uani 1 1 d . U . . . H51 H 0.248659 0.107871 0.072113 0.082 Uiso 1 1 calc R U . . . C36 C 0.3017(10) 0.0809(9) 0.1548(5) 0.055(3) Uani 1 1 d . U . . . C37 C 0.3960(9) 0.0964(7) 0.3911(6) 0.047(2) Uani 1 1 d . U . . . C38 C 0.3635(10) 0.1131(9) 0.4494(6) 0.062(3) Uani 1 1 d . U . . . H38 H 0.401599 0.097168 0.482470 0.074 Uiso 1 1 calc R U . . . C39 C 0.2614(10) 0.1589(8) 0.4493(6) 0.054(3) Uani 1 1 d . U . . . C40 C 0.2348(8) 0.1686(8) 0.3890(5) 0.046(2) Uani 1 1 d . U . . . C41 C 0.2088(9) 0.0864(8) 0.1937(5) 0.048(2) Uani 1 1 d . U . . . C42 C 0.1321(8) 0.0488(8) 0.2848(5) 0.045(2) Uani 1 1 d . U . . . C43 C 0.0593(9) 0.0687(9) 0.2418(6) 0.057(3) Uani 1 1 d . U . . . C44 C -0.0418(10) 0.0672(11) 0.2612(8) 0.076(4) Uani 1 1 d . U . . . C45 C 0.0077(9) 0.0033(8) 0.3616(6) 0.057(3) Uani 1 1 d . U . . . C46 C 0.1101(8) 0.0098(8) 0.3467(6) 0.053(3) Uani 1 1 d . U . . . C48 C 0.1091(9) 0.0937(9) 0.1852(6) 0.059(3) Uani 1 1 d . U . . . H48 H 0.080643 0.111884 0.148477 0.071 Uiso 1 1 calc R U . . . C33 C 0.5824(9) 0.0700(10) 0.2647(8) 0.078(4) Uani 1 1 d . U . . . H33 H 0.582399 0.079415 0.222677 0.094 Uiso 1 1 calc R U . . . C34 C 0.6733(10) 0.0510(12) 0.2879(9) 0.096(5) Uani 1 1 d . U . . . H34 H 0.732889 0.045803 0.262347 0.115 Uiso 1 1 calc R U . . . C35 C 0.6747(11) 0.0399(12) 0.3491(9) 0.101(5) Uani 1 1 d . U . . . H35 H 0.735621 0.023412 0.366332 0.121 Uiso 1 1 calc R U . . . C52 C 0.5846(10) 0.0535(10) 0.3855(8) 0.087(4) Uani 1 1 d . U . . . H52 H 0.584276 0.052280 0.427056 0.104 Uiso 1 1 calc R U . . . C53 C 0.4943(9) 0.0691(9) 0.3601(7) 0.060(3) Uani 1 1 d . U . . . C54 C 0.1898(12) 0.1961(10) 0.4963(7) 0.067(3) Uani 1 1 d . U . . . C55 C 0.0692(10) 0.2564(9) 0.4220(6) 0.058(3) Uani 1 1 d . U . . . C56 C 0.1371(8) 0.2247(7) 0.3741(5) 0.044(2) Uani 1 1 d . U . . . O57 O 0.2027(8) 0.1916(8) 0.5501(4) 0.094(3) Uani 1 1 d . U . . . C58 C -0.0234(11) -0.0416(10) 0.4182(7) 0.073(4) Uani 1 1 d . U . . . H58 H -0.090216 -0.046084 0.427417 0.087 Uiso 1 1 calc R U . . . C59 C 0.0440(11) -0.0792(10) 0.4602(6) 0.072(3) Uani 1 1 d . U . . . H59 H 0.023186 -0.109883 0.497991 0.086 Uiso 1 1 calc R U . . . C60 C 0.1443(10) -0.0720(8) 0.4468(6) 0.061(3) Uani 1 1 d . U . . . H60 H 0.189796 -0.096707 0.475864 0.073 Uiso 1 1 calc R U . . . C61 C 0.1753(9) -0.0283(8) 0.3907(5) 0.048(3) Uani 1 1 d . U . . . H61 H 0.242317 -0.024409 0.382122 0.057 Uiso 1 1 calc R U . . . C62 C -0.0275(10) 0.3054(9) 0.4130(7) 0.070(3) Uani 1 1 d . U . . . H62 H -0.072565 0.324394 0.445916 0.084 Uiso 1 1 calc R U . . . C63 C -0.0584(10) 0.3267(10) 0.3560(7) 0.073(4) Uani 1 1 d . U . . . H63 H -0.125243 0.357424 0.350611 0.087 Uiso 1 1 calc R U . . . C64 C 0.0080(9) 0.3032(9) 0.3062(6) 0.065(3) Uani 1 1 d . U . . . H64 H -0.012310 0.321709 0.267206 0.078 Uiso 1 1 calc R U . . . C65 C 0.1051(8) 0.2518(7) 0.3152(5) 0.047(2) Uani 1 1 d . U . . . H65 H 0.150147 0.234772 0.281899 0.056 Uiso 1 1 calc R U . . . N66 N 0.0673(8) 0.5313(7) 0.3291(5) 0.063(2) Uani 1 1 d . U . . . C67 C -0.0053(10) 0.5563(9) 0.2900(7) 0.064(3) Uani 1 1 d . U . . . C68 C -0.1069(11) 0.5832(10) 0.3110(8) 0.083(4) Uani 1 1 d . U . . . H68 H -0.156201 0.596908 0.284175 0.100 Uiso 1 1 calc R U . . . C69 C -0.1336(13) 0.5893(12) 0.3714(9) 0.101(5) Uani 1 1 d . U . . . H69 H -0.201117 0.605157 0.386306 0.121 Uiso 1 1 calc R U . . . C70 C -0.0593(13) 0.5718(11) 0.4094(8) 0.097(5) Uani 1 1 d . U . . . H70 H -0.076202 0.579324 0.450133 0.116 Uiso 1 1 calc R U . . . C71 C 0.0403(11) 0.5430(9) 0.3877(7) 0.072(3) Uani 1 1 d . U . . . H71 H 0.089967 0.531331 0.414067 0.087 Uiso 1 1 calc R U . . . C72 C 0.3506(9) 0.3428(8) 0.1922(5) 0.051(3) Uani 1 1 d . U . . . C73 C 0.2919(10) 0.3416(8) 0.1441(6) 0.055(3) Uani 1 1 d . U . . . C74 C 0.3496(11) 0.3188(9) 0.0885(6) 0.065(3) Uani 1 1 d . U . . . C75 C 0.5092(11) 0.2790(10) 0.1316(7) 0.069(3) Uani 1 1 d . U . . . C76 C 0.4545(9) 0.3072(7) 0.1878(6) 0.051(2) Uani 1 1 d . U . . . C78 C 0.0335(9) 0.5592(9) 0.2284(6) 0.059(3) Uani 1 1 d . U . . . C79 C 0.1618(10) 0.5680(8) 0.1578(6) 0.054(3) Uani 1 1 d . U . . . C80 C 0.0720(11) 0.6028(9) 0.1291(7) 0.068(3) Uani 1 1 d . U . . . C81 C -0.0085(11) 0.5981(10) 0.1741(7) 0.076(3) Uani 1 1 d . U . . . H81 H -0.076808 0.617310 0.168713 0.091 Uiso 1 1 calc R U . . . C82 C 0.3879(10) 0.3627(8) 0.3412(6) 0.052(3) Uani 1 1 d . U . . . C83 C 0.4636(11) 0.3362(9) 0.3817(6) 0.064(3) Uani 1 1 d . U . . . H83 H 0.530777 0.314300 0.367456 0.077 Uiso 1 1 calc R U . . . C84 C 0.4374(12) 0.3428(10) 0.4417(6) 0.077(4) Uani 1 1 d . U . . . H84 H 0.486222 0.326961 0.468928 0.092 Uiso 1 1 calc R U . . . C85 C 0.3367(13) 0.3737(10) 0.4613(7) 0.080(4) Uani 1 1 d . U . . . H85 H 0.316703 0.378801 0.502081 0.096 Uiso 1 1 calc R U . . . C86 C 0.2676(12) 0.3965(10) 0.4206(6) 0.074(4) Uani 1 1 d . U . . . H86 H 0.199936 0.412615 0.435350 0.089 Uiso 1 1 calc R U . . . C87 C 0.4077(9) 0.3523(8) 0.2780(5) 0.047(2) Uani 1 1 d . U . . . C89 C 0.1882(10) 0.3561(8) 0.1468(6) 0.062(3) Uani 1 1 d . U . . . H89 H 0.149585 0.367055 0.183365 0.075 Uiso 1 1 calc R U . . . C90 C 0.1401(13) 0.3548(10) 0.0960(7) 0.085(4) Uani 1 1 d . U . . . H90 H 0.070488 0.363518 0.098494 0.102 Uiso 1 1 calc R U . . . C91 C 0.3016(13) 0.3225(11) 0.0388(7) 0.090(4) Uani 1 1 d . U . . . H91 H 0.338992 0.312754 0.001753 0.108 Uiso 1 1 calc R U . . . C92 C 0.2564(10) 0.5733(8) 0.1249(6) 0.056(3) Uani 1 1 d . U . . . C93 C 0.2569(12) 0.6016(10) 0.0611(6) 0.072(3) Uani 1 1 d . U . . . C94 C 0.0738(14) 0.6352(12) 0.0658(8) 0.087(4) Uani 1 1 d . U . . . C95 C 0.3496(10) 0.5548(8) 0.1478(6) 0.063(3) Uani 1 1 d . U . . . H95 H 0.352996 0.539077 0.189500 0.075 Uiso 1 1 calc R U . . . C96 C 0.4374(11) 0.5591(9) 0.1103(7) 0.073(3) Uani 1 1 d . U . . . H96 H 0.498700 0.545842 0.126673 0.088 Uiso 1 1 calc R U . . . C97 C 0.4331(13) 0.5832(10) 0.0481(7) 0.083(4) Uani 1 1 d . U . . . H97 H 0.492311 0.583105 0.022621 0.100 Uiso 1 1 calc R U . . . C98 C 0.3438(13) 0.6070(11) 0.0240(7) 0.086(4) Uani 1 1 d . U . . . H98 H 0.341178 0.627016 -0.017579 0.104 Uiso 1 1 calc R U . . . O99 O 0.0026(10) 0.6634(10) 0.0357(6) 0.134(5) Uani 1 1 d . U . . . C57 C 0.1980(14) 0.3405(12) 0.0428(8) 0.095(5) Uani 1 1 d . U . . . H57 H 0.166768 0.343019 0.008077 0.114 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pt1 0.0341(2) 0.0393(3) 0.0456(3) -0.0037(2) -0.01403(19) -0.00716(19) Pt2 0.0352(2) 0.0390(3) 0.0566(3) -0.0052(2) 0.0000(2) -0.01004(19) Pt3 0.0518(3) 0.0417(3) 0.0579(3) -0.0091(2) -0.0022(2) -0.0145(2) N3 0.035(4) 0.046(5) 0.061(5) -0.002(5) -0.023(4) -0.008(4) N4 0.037(4) 0.033(5) 0.042(4) -0.008(4) -0.015(3) -0.015(3) N2 0.035(4) 0.044(5) 0.050(4) -0.003(4) -0.013(3) -0.011(4) N1 0.048(4) 0.041(5) 0.042(5) -0.001(4) -0.016(3) -0.009(4) O3 0.064(4) 0.061(5) 0.050(4) 0.006(4) -0.022(4) -0.010(4) O4 0.085(7) 0.105(8) 0.048(5) 0.001(5) -0.003(4) 0.003(6) O2 0.036(5) 0.130(9) 0.131(8) -0.015(7) 0.005(5) -0.015(5) N21 0.053(5) 0.037(5) 0.057(5) -0.005(4) 0.010(4) -0.015(4) N16 0.037(4) 0.040(5) 0.061(5) -0.004(4) -0.007(3) -0.017(4) N23 0.032(4) 0.045(5) 0.051(4) -0.008(4) -0.002(3) -0.005(4) O19 0.066(6) 0.165(11) 0.139(9) 0.037(9) -0.042(6) -0.050(7) N25 0.055(5) 0.043(5) 0.054(5) -0.017(4) -0.007(4) -0.007(4) C10 0.044(5) 0.030(5) 0.051(5) -0.001(5) -0.013(4) -0.005(4) O1 0.038(4) 0.081(6) 0.107(6) 0.000(6) -0.027(4) -0.011(4) O6 0.044(5) 0.092(7) 0.102(6) 0.005(6) -0.004(4) -0.030(5) N5 0.032(4) 0.044(5) 0.086(6) 0.003(5) -0.003(4) -0.010(4) O5 0.079(5) 0.075(6) 0.056(5) -0.021(5) 0.018(4) -0.030(5) N6 0.050(5) 0.043(5) 0.052(5) -0.001(4) -0.004(4) -0.021(4) O7 0.090(5) 0.072(6) 0.062(5) -0.014(5) 0.001(4) -0.003(5) N8 0.074(5) 0.033(5) 0.057(5) -0.004(4) -0.006(4) -0.021(4) C47 0.050(6) 0.048(7) 0.065(6) -0.010(6) -0.008(4) -0.014(5) O10 0.076(6) 0.120(9) 0.097(8) -0.021(7) 0.011(5) 0.008(6) O11 0.113(6) 0.088(7) 0.076(6) 0.009(6) -0.025(5) -0.022(7) C5 0.040(5) 0.055(7) 0.056(5) -0.001(6) -0.015(4) -0.010(5) C4 0.039(5) 0.060(8) 0.089(8) -0.012(7) -0.006(5) -0.019(6) C3 0.045(6) 0.073(9) 0.114(8) -0.011(8) -0.022(6) -0.016(7) C2 0.045(6) 0.082(9) 0.104(8) -0.003(8) -0.040(6) -0.021(6) C1 0.050(6) 0.053(7) 0.071(7) 0.008(6) -0.034(5) -0.014(6) C9 0.044(4) 0.014(5) 0.052(5) -0.001(4) -0.015(4) -0.015(4) C8 0.052(5) 0.043(6) 0.050(5) -0.002(5) -0.013(4) -0.010(5) C7 0.048(5) 0.043(6) 0.053(5) -0.010(5) -0.009(4) -0.013(5) C6 0.039(4) 0.034(6) 0.054(5) -0.004(5) -0.012(4) -0.012(4) C32 0.033(4) 0.027(5) 0.063(5) 0.000(5) -0.017(4) -0.007(4) C24 0.035(4) 0.051(7) 0.076(6) -0.003(6) -0.006(4) -0.007(5) C23 0.051(5) 0.058(8) 0.064(6) -0.003(6) 0.003(5) -0.005(6) C22 0.049(5) 0.030(6) 0.051(5) -0.001(5) -0.004(4) -0.002(5) C21 0.056(5) 0.038(6) 0.044(5) -0.006(5) -0.007(4) -0.016(5) C20 0.084(8) 0.059(8) 0.043(5) 0.002(6) -0.003(5) -0.013(7) C19 0.106(9) 0.081(10) 0.052(7) 0.001(7) -0.025(6) -0.023(8) C18 0.089(8) 0.084(10) 0.062(6) 0.008(7) -0.035(6) -0.021(8) C17 0.059(6) 0.052(7) 0.065(6) 0.006(6) -0.028(5) -0.013(6) C15 0.050(5) 0.044(6) 0.055(5) 0.008(5) -0.017(4) -0.014(5) C16 0.061(5) 0.048(7) 0.050(5) -0.001(5) -0.010(4) -0.014(5) C11 0.046(5) 0.031(6) 0.053(6) -0.006(5) -0.012(4) -0.008(4) C12 0.047(6) 0.047(7) 0.067(7) -0.015(6) -0.001(5) 0.002(5) C13 0.043(6) 0.052(7) 0.086(7) 0.003(7) -0.014(5) 0.005(6) C14 0.057(6) 0.050(7) 0.068(7) 0.010(6) -0.023(5) -0.007(5) C31 0.037(5) 0.045(6) 0.063(5) -0.001(5) -0.022(4) -0.003(5) C26 0.042(5) 0.042(6) 0.089(7) 0.006(6) -0.032(4) -0.012(5) C25 0.034(5) 0.072(8) 0.095(7) 0.010(7) -0.009(5) -0.016(6) C30 0.044(5) 0.035(6) 0.065(6) -0.008(5) -0.024(4) -0.004(5) C29 0.086(7) 0.036(6) 0.063(6) -0.001(6) -0.035(6) -0.010(6) C28 0.095(8) 0.046(7) 0.081(8) -0.001(7) -0.048(6) -0.022(7) C27 0.067(7) 0.056(8) 0.099(8) 0.005(7) -0.050(5) -0.013(7) C66 0.068(7) 0.058(8) 0.078(7) -0.020(7) 0.031(6) -0.017(6) C49 0.109(9) 0.072(10) 0.079(8) -0.029(8) 0.041(7) -0.026(9) C50 0.130(10) 0.074(10) 0.068(9) -0.023(8) 0.028(6) -0.035(9) C51 0.110(9) 0.056(8) 0.045(5) -0.013(6) 0.001(5) -0.029(7) C36 0.068(5) 0.052(7) 0.042(5) -0.004(5) 0.001(4) -0.014(6) C37 0.053(5) 0.023(5) 0.073(6) -0.002(5) -0.018(4) -0.019(4) C38 0.067(6) 0.060(8) 0.064(6) 0.002(6) -0.022(5) -0.024(6) C39 0.066(6) 0.048(7) 0.057(5) -0.009(5) -0.006(4) -0.026(5) C40 0.049(5) 0.037(6) 0.057(5) -0.005(5) -0.002(4) -0.023(4) C41 0.058(5) 0.037(6) 0.050(5) 0.001(5) -0.008(4) -0.017(5) C42 0.037(5) 0.039(6) 0.061(5) -0.018(5) 0.002(4) -0.010(5) C43 0.044(5) 0.053(7) 0.067(6) -0.004(6) -0.003(4) -0.006(5) C44 0.042(5) 0.081(9) 0.100(8) 0.005(8) -0.011(5) -0.017(6) C45 0.045(5) 0.045(7) 0.082(7) -0.006(6) 0.004(4) -0.020(5) C46 0.039(5) 0.048(7) 0.069(6) -0.008(5) 0.006(4) -0.012(5) C48 0.059(6) 0.063(8) 0.061(6) -0.016(6) -0.013(5) -0.018(6) C33 0.037(5) 0.072(9) 0.119(9) -0.009(8) 0.003(5) -0.009(6) C34 0.037(6) 0.089(10) 0.154(11) -0.004(11) -0.009(7) -0.011(7) C35 0.045(6) 0.099(11) 0.159(11) 0.005(11) -0.035(8) -0.019(8) C52 0.059(6) 0.081(10) 0.125(10) 0.000(9) -0.037(6) -0.018(7) C53 0.044(5) 0.046(7) 0.090(6) 0.006(6) -0.019(5) -0.014(5) C54 0.087(7) 0.063(8) 0.062(6) -0.018(6) 0.004(5) -0.036(6) C55 0.060(6) 0.054(7) 0.062(5) -0.010(6) 0.011(4) -0.025(5) C56 0.050(5) 0.032(6) 0.057(5) -0.013(5) -0.002(4) -0.017(4) O57 0.112(8) 0.131(9) 0.059(5) -0.028(6) 0.003(5) -0.058(7) C58 0.066(7) 0.064(9) 0.088(8) -0.002(7) 0.017(5) -0.031(7) C59 0.081(7) 0.063(8) 0.066(8) -0.004(7) 0.019(6) -0.026(7) C60 0.073(7) 0.048(7) 0.060(6) -0.016(5) 0.015(6) -0.017(6) C61 0.046(6) 0.038(6) 0.062(6) -0.011(5) 0.005(4) -0.017(5) C62 0.060(6) 0.059(8) 0.086(7) -0.019(7) 0.017(6) -0.011(6) C63 0.043(7) 0.066(9) 0.102(8) -0.013(8) 0.002(5) -0.003(6) C64 0.055(6) 0.049(7) 0.081(8) 0.003(6) -0.006(5) -0.003(5) C65 0.048(5) 0.033(6) 0.062(6) -0.008(5) -0.001(5) -0.015(5) N66 0.071(6) 0.044(6) 0.077(6) -0.018(5) 0.003(5) -0.018(5) C67 0.058(6) 0.047(7) 0.086(6) -0.019(6) 0.004(5) -0.010(6) C68 0.061(6) 0.060(8) 0.118(9) -0.009(9) 0.011(6) -0.008(7) C69 0.072(8) 0.088(11) 0.124(10) -0.012(10) 0.029(7) -0.006(9) C70 0.092(9) 0.081(10) 0.108(10) -0.025(9) 0.026(7) -0.016(9) C71 0.080(7) 0.059(8) 0.083(7) -0.020(7) 0.012(6) -0.029(7) C72 0.058(5) 0.044(6) 0.052(5) -0.006(5) -0.007(4) -0.015(5) C73 0.075(6) 0.034(6) 0.056(6) -0.002(5) -0.015(5) -0.015(6) C74 0.091(6) 0.044(7) 0.057(6) -0.005(6) -0.011(5) -0.011(6) C75 0.073(6) 0.056(8) 0.068(6) -0.008(6) 0.001(5) -0.004(6) C76 0.063(5) 0.026(6) 0.063(6) -0.004(5) -0.010(4) -0.005(5) C78 0.055(5) 0.043(7) 0.081(6) -0.011(6) -0.011(5) -0.009(5) C79 0.069(5) 0.045(7) 0.052(5) -0.015(5) -0.016(4) -0.011(5) C80 0.076(6) 0.050(7) 0.076(6) -0.009(6) -0.025(5) 0.000(6) C81 0.062(6) 0.069(9) 0.093(7) -0.017(7) -0.022(5) 0.003(7) C82 0.073(6) 0.032(6) 0.056(5) 0.000(5) -0.015(4) -0.020(5) C83 0.082(7) 0.052(7) 0.061(6) 0.014(6) -0.023(5) -0.029(6) C84 0.109(8) 0.065(9) 0.061(6) 0.010(7) -0.029(7) -0.030(8) C85 0.115(9) 0.072(9) 0.059(8) -0.007(7) -0.016(6) -0.028(8) C86 0.092(9) 0.064(8) 0.058(6) 0.000(7) -0.007(6) -0.011(7) C87 0.050(5) 0.040(6) 0.052(5) 0.003(5) -0.006(4) -0.020(5) C89 0.076(6) 0.046(7) 0.073(7) -0.003(6) -0.019(6) -0.027(6) C90 0.101(9) 0.071(9) 0.094(9) -0.017(8) -0.043(7) -0.017(8) C91 0.121(9) 0.078(10) 0.069(8) -0.016(8) -0.027(7) -0.007(9) C92 0.081(6) 0.031(6) 0.057(6) -0.010(5) -0.005(5) -0.011(6) C93 0.097(7) 0.061(8) 0.059(6) -0.001(6) -0.006(5) -0.023(7) C94 0.096(7) 0.081(10) 0.082(7) 0.002(8) -0.037(6) -0.009(8) C95 0.080(6) 0.044(7) 0.066(7) -0.005(6) -0.005(5) -0.023(6) C96 0.088(8) 0.048(7) 0.084(8) -0.009(7) 0.009(6) -0.025(7) C97 0.102(8) 0.063(9) 0.082(8) -0.013(8) 0.018(7) -0.027(8) C98 0.111(8) 0.079(10) 0.066(8) -0.007(8) 0.012(6) -0.028(9) O99 0.124(8) 0.154(12) 0.117(9) 0.013(9) -0.070(8) -0.010(9) C57 0.122(9) 0.091(11) 0.088(9) -0.031(9) -0.048(8) -0.021(10) 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' 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' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u -1 0 0 -0.7 0.5 1 0 0 0.2 0.4 1 0 0 0.1 0.3 1 0 0 0 0.5 -2 0 0 1377.56 36 -2 0 0 1290.97 34.2 -2 0 0 1419.46 32.5 -2 0 0 1371.76 35.4 -2 0 0 1378.56 35.6 -2 0 0 1439.46 36.8 2 0 0 1396.86 35.6 2 0 0 1381.66 36.8 2 0 0 1359.26 35.7 2 0 0 1308.27 36.1 2 0 0 1335.17 34.8 2 0 0 1366.06 32.5 2 0 0 1291.77 34.7 -3 0 0 149.59 11.2 -3 0 0 149.99 8.4 -3 0 0 146.39 10.4 -3 0 0 137.79 10.4 -3 0 0 143.09 10.4 -3 0 0 138.39 10 3 0 0 136.79 10.4 3 0 0 146.99 10.4 3 0 0 156.68 10.7 3 0 0 149.69 11 3 0 0 144.79 10.2 3 0 0 133.79 10.8 3 0 0 145.39 8.4 -4 0 0 188.68 13.8 -4 0 0 199.58 15.3 -4 0 0 221.48 14.6 -4 0 0 203.08 13.4 -4 0 0 242.68 15.3 4 0 0 212.88 12 4 0 0 247.98 16.2 4 0 0 206.68 14.6 4 0 0 187.88 13.1 4 0 0 199.58 14.2 4 0 0 204.48 14.3 -5 0 0 166.58 14.5 -5 0 0 145.09 14.4 -5 0 0 161.28 14.6 -5 0 0 169.28 13.9 -5 0 0 185.68 12.2 5 0 0 139.89 13.6 5 0 0 167.78 13.9 5 0 0 168.68 14.3 5 0 0 166.88 11.9 5 0 0 159.08 14.1 5 0 0 180.98 15.9 -6 0 0 77.19 11.1 -6 0 0 85.39 9.6 -6 0 0 64.49 10.4 -6 0 0 62.19 10.7 -6 0 0 91.69 12.4 6 0 0 71.39 9.3 6 0 0 78.59 13.3 6 0 0 57.89 9.8 6 0 0 96.79 11.7 6 0 0 64.29 9.5 6 0 0 81.49 12.6 -7 0 0 397.96 23.8 -7 0 0 395.66 27 -7 0 0 401.46 26.6 -7 0 0 327.07 26.1 -7 0 0 390.46 20.2 7 0 0 402.66 24.6 7 0 0 353.66 25.2 7 0 0 358.76 25.2 7 0 0 378.66 26.9 7 0 0 406.06 27.5 -8 0 0 93.59 14.6 -8 0 0 132.49 16.7 -8 0 0 113.19 13.4 -8 0 0 127.59 17 8 0 0 117.19 16.5 8 0 0 101.79 14.6 8 0 0 129.89 16 8 0 0 99.69 16.6 -9 0 0 17.6 7.6 -9 0 0 7.4 8 -9 0 0 16.8 10.4 9 0 0 29.8 12.5 -10 0 0 117.59 20.5 -10 0 0 101.19 14.4 -10 0 0 86.19 16.1 10 0 0 108.09 20.5 10 0 0 109.49 20 -11 0 0 85.29 18.8 -11 0 0 90.59 14.6 -11 0 0 97.39 18.8 11 0 0 86.49 19.8 11 0 0 85.99 17.2 -12 0 0 18.9 9.2 -12 0 0 -6.1 9.9 -12 0 0 19.2 13.8 12 0 0 12.8 13.4 12 0 0 38 18.5 -13 0 0 188.38 30.7 -13 0 0 292.47 33.2 -13 0 0 272.37 35.4 13 0 0 269.17 35.1 13 0 0 226.88 34.9 -14 0 0 10.7 15 -14 0 0 -27.3 14.8 14 0 0 -0.3 20.3 14 0 0 9.1 15.8 -15 0 0 53.69 20.9 -15 0 0 61.69 23.3 15 0 0 29 17 15 0 0 30.9 21.4 -16 0 0 8.5 22.9 -16 0 0 -18.6 18 16 0 0 5.6 17.4 16 0 0 7.2 18.7 16 -1 0 -5.8 15.9 16 -1 0 11.4 25.1 -16 1 0 -5.2 20 15 -1 0 3.3 19.9 15 -1 0 -35.8 16.5 -15 1 0 -10.8 14.6 -15 1 0 4.8 16.1 14 -1 0 -6.2 12.5 14 -1 0 25.3 19.6 -14 1 0 26 18.9 -14 1 0 7.1 18.4 13 -1 0 165.58 28.4 13 -1 0 242.58 35.8 -13 1 0 242.28 35.3 -13 1 0 179.38 30.2 -13 1 0 144.79 20.6 12 -1 0 54.69 16.1 12 -1 0 78.09 19.9 12 -1 0 19.4 15.4 -12 1 0 71.69 19 -12 1 0 44.8 14.9 11 -1 0 220.98 27.6 11 -1 0 251.67 29.9 11 -1 0 212.58 27.8 -11 1 0 259.77 29.7 -11 1 0 217.68 26.2 -11 1 0 226.68 21.8 10 -1 0 108.39 19.8 10 -1 0 84.79 20 10 -1 0 119.29 20.1 -10 1 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149.99 10.2 -1 2 0 140.89 10 -1 2 0 152.88 8.3 0 -2 0 12 3 0 -2 0 16.6 3.2 0 -2 0 21.2 3 0 -2 0 16.4 2.5 0 -2 0 20 3.5 0 -2 0 14.2 3.7 0 2 0 18.1 2.4 0 2 0 14.3 3.5 0 2 0 15.2 3.8 0 2 0 15.8 3.2 0 2 0 15 3.7 0 2 0 14.1 3.6 0 2 0 21.3 3 -1 -2 0 42.3 4.5 -1 -2 0 50.99 6.3 -1 -2 0 46.8 5.1 -1 -2 0 43 4.2 -1 -2 0 36.2 4.5 -1 -2 0 43 5.6 -1 -2 0 42.8 5 1 2 0 40.1 4.5 1 2 0 39.7 5.3 1 2 0 42.7 5 1 2 0 37.4 5.4 1 2 0 43.7 4.8 1 2 0 36.4 4.5 1 2 0 40.3 4.2 -2 -2 0 514.15 21.5 -2 -2 0 541.95 17.9 -2 -2 0 524.55 20.4 -2 -2 0 532.75 21.7 -2 -2 0 562.14 22.3 2 2 0 526.05 21.7 2 2 0 541.85 21.7 2 2 0 528.05 22.2 2 2 0 508.35 19.9 2 2 0 506.85 17.5 2 2 0 521.45 17.2 2 2 0 561.34 21.6 -3 -2 0 588.24 21.4 -3 -2 0 539.45 25.2 -3 -2 0 571.24 24.4 -3 -2 0 645.94 26.7 -3 -2 0 621.14 20.8 -3 -2 0 558.44 25.3 3 2 0 619.94 26.5 3 2 0 628.34 25.8 3 2 0 590.94 19.9 3 2 0 591.84 24 3 2 0 602.14 27 3 2 0 621.44 20.3 3 2 0 653.83 25.4 -4 -2 0 1838.02 49.6 -4 -2 0 1766.62 47.7 -4 -2 0 1791.02 56.79 -4 -2 0 1756.02 54.69 -4 -2 0 1990.8 57.29 -4 -2 0 1862.31 56.69 4 2 0 1756.02 54.49 4 2 0 1821.62 52.79 4 2 0 1823.02 57.49 4 2 0 1744.63 46.9 4 2 0 1834.32 46 4 2 0 1756.22 54.39 4 2 0 1738.73 57.79 -5 -2 0 1990.2 62.59 -5 -2 0 1940.81 62.39 -5 -2 0 2037.2 64.19 -5 -2 0 2044.5 56.49 -5 -2 0 1991.3 64.69 5 2 0 2010.3 60.09 5 2 0 2013.3 64.99 5 2 0 2051.89 63.09 5 2 0 2020.7 54.79 5 2 0 2103.39 51.49 5 2 0 1991.7 62.49 5 2 0 1968.6 65.99 -6 -2 0 388.46 26.7 -6 -2 0 395.86 24.8 -6 -2 0 421.96 26.3 -6 -2 0 395.36 27.1 -6 -2 0 402.46 21.9 -6 -2 0 341.97 19.6 6 2 0 401.56 28.2 6 2 0 379.66 17.8 6 2 0 354.26 25.4 6 2 0 387.86 24.8 6 2 0 367.36 23 6 2 0 406.96 21.9 6 2 0 416.66 26.5 -7 -2 0 887.91 35.7 -7 -2 0 941.81 43.7 -7 -2 0 948.81 38.5 -7 -2 0 935.21 44.5 -7 -2 0 916.41 43.9 7 2 0 837.82 38.9 7 2 0 897.51 41.6 7 2 0 954.8 44.5 7 2 0 868.11 31.5 7 2 0 948.01 37.9 7 2 0 953.2 47.1 7 2 0 878.91 44.1 -8 -2 0 42.2 9.8 -8 -2 0 43.2 11.3 -8 -2 0 40 11.7 -8 -2 0 66.49 10.7 8 2 0 48.7 9.9 8 2 0 43.5 10.5 8 2 0 36.1 8.6 8 2 0 50.59 13.2 8 2 0 47.1 11.2 -9 -2 0 8 8.8 -9 -2 0 -3.4 4.8 -9 -2 0 -6.3 6.4 -9 -2 0 -0.3 6.7 9 2 0 4.5 7.1 9 2 0 -12 5.8 -10 -2 0 259.37 28.5 -10 -2 0 259.87 22.3 -10 -2 0 229.28 26.4 10 2 0 268.57 27.3 10 2 0 266.27 26.2 -11 -2 0 9.9 11.1 -11 -2 0 9.1 10.3 -11 -2 0 -0.3 11.2 11 2 0 16.4 15.2 11 2 0 31.3 9.5 -12 -2 0 281.87 33.4 -12 -2 0 285.47 29.2 -12 -2 0 338.97 36.3 12 2 0 263.77 33.4 -13 -2 0 -4.6 13.2 -13 -2 0 12.6 12.8 13 2 0 6.9 11.3 13 2 0 26.5 11.4 -14 -2 0 122.69 25.5 -14 -2 0 82.79 24.6 14 2 0 102.69 24.7 -15 -2 0 72.49 21.3 -15 -2 0 55.89 24.6 15 2 0 45.7 22.8 15 2 0 62.69 26.7 -16 -2 0 -28.4 21.3 16 2 0 6.9 18.8 15 -3 0 47.6 13.4 15 -3 0 33.3 19.3 -15 3 0 29.7 19 14 -3 0 28.8 22.9 14 -3 0 -5.9 13.5 -14 3 0 -11.4 16.4 13 -3 0 -2.4 15.7 13 -3 0 -3 15.9 -13 3 0 25.7 12.4 -13 3 0 29.2 11.2 -13 3 0 -11.8 9.9 12 -3 0 123.19 23.6 12 -3 0 113.09 24.7 -12 3 0 110.69 19.4 -12 3 0 104.99 21.9 11 -3 0 39.5 16.9 11 -3 0 24.3 14.9 -11 3 0 29.9 11.5 -11 3 0 29.9 14.5 -11 3 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28.5 -5 4 -3 447.26 18.2 -5 4 -3 424.06 29.9 -5 4 -3 436.76 28.3 -5 4 -3 500.55 27.9 -5 4 -3 444.16 25 5 -4 3 446.56 17.2 5 -4 3 474.35 28.4 5 -4 3 489.55 25.7 5 -4 3 401.76 30.9 5 -4 3 453.55 28.1 5 -4 3 471.65 32.5 -6 4 -3 -1.5 4.1 -6 4 -3 0.3 3.5 -6 4 -3 0.8 4.1 -6 4 -3 5.6 5.3 -6 4 -3 8 5.5 6 -4 3 5.1 9.3 6 -4 3 -3.2 5 6 -4 3 3.5 3.6 6 -4 3 5.1 6.6 6 -4 3 10.7 3.1 -7 4 -3 21.1 9.6 -7 4 -3 30.1 8.9 -7 4 -3 26.7 9 -7 4 -3 28.7 5.5 7 -4 3 15 9.5 7 -4 3 28.3 7.9 7 -4 3 27.7 12.1 7 -4 3 12.9 8.1 7 -4 3 25.2 7.5 -8 4 -3 565.34 38.2 -8 4 -3 644.94 36.7 -8 4 -3 623.84 37.6 8 -4 3 604.64 42.4 8 -4 3 581.54 29.3 8 -4 3 672.93 39.3 -9 4 -3 36.6 9.4 -9 4 -3 52.39 13.4 -9 4 -3 56.49 12.1 9 -4 3 43.1 15.4 9 -4 3 40.4 12.9 -10 4 -3 453.75 31 -10 4 -3 462.05 34.8 -10 4 -3 396.66 35.4 10 -4 3 422.06 35.9 10 -4 3 363.66 39 -11 4 -3 57.19 11.8 -11 4 -3 60.29 17.4 11 -4 3 55.49 15.7 11 -4 3 55.89 15.8 -12 4 -3 151.08 25.5 -12 4 -3 91.09 20 -12 4 -3 154.88 26.3 12 -4 3 114.39 24.7 12 -4 3 87.09 20.5 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491.95 24.5 7 3 -3 491.65 34.5 7 3 -3 479.85 33.3 -7 -3 3 519.25 33.5 -7 -3 3 438.26 28.6 -7 -3 3 471.85 33.3 -7 -3 3 486.95 34.5 -7 -3 3 485.35 24.2 -7 -3 3 462.35 31.8 6 3 -3 153.18 18.5 6 3 -3 134.99 16.5 6 3 -3 141.59 16.9 6 3 -3 159.58 18.5 6 3 -3 164.48 12.7 -6 -3 3 160.68 17.1 -6 -3 3 161.28 19.1 -6 -3 3 120.19 14.9 -6 -3 3 125.69 17.9 -6 -3 3 151.88 13.4 -6 -3 3 169.98 19 5 3 -3 99.29 13.2 5 3 -3 100.99 13.4 5 3 -3 96.59 13.4 5 3 -3 76.19 13.2 -5 -3 3 96.59 14.3 -5 -3 3 98.49 16.4 -5 -3 3 95.39 12.9 -5 -3 3 95.99 14.3 -5 -3 3 87.99 12.8 4 3 -3 10.4 4.5 4 3 -3 7.8 4.8 4 3 -3 13 6.4 4 3 -3 7.4 4.9 4 3 -3 8 4.5 -4 -3 3 9.3 6.2 -4 -3 3 6.9 4.6 -4 -3 3 10.5 5 -4 -3 3 10.3 5.6 -4 -3 3 16.4 6.2 3 3 -3 578.84 24.9 3 3 -3 621.94 25.2 3 3 -3 605.74 30.4 3 3 -3 619.34 30.4 3 3 -3 616.34 30.4 -3 -3 3 643.04 31.2 -3 -3 3 594.24 25.3 -3 -3 3 627.04 31.2 -3 -3 3 629.94 27.7 -3 -3 3 633.84 32.8 2 3 -3 827.12 36.4 2 3 -3 759.22 28.6 2 3 -3 805.82 32.5 2 3 -3 811.52 26 2 3 -3 755.82 33.8 2 3 -3 768.32 33.9 -2 -3 3 775.92 26.2 -2 -3 3 781.52 32.6 -2 -3 3 783.42 34.4 -2 -3 3 794.12 30.8 -2 -3 3 833.12 36.6 1 3 -3 555.84 28 1 3 -3 563.14 24.1 1 3 -3 565.94 17.5 1 3 -3 579.64 29.7 1 3 -3 570.94 28.1 1 3 -3 537.45 27.5 1 3 -3 563.64 23.5 -1 -3 3 583.74 25.1 -1 -3 3 565.34 28.6 -1 -3 3 576.04 29 0 3 -3 4998.2 111.89 0 3 -3 5104.49 125.69 0 3 -3 5229.58 127.29 0 3 -3 5099.09 118.59 0 3 -3 5307.67 125.09 0 3 -3 5213.08 114.69 0 -3 3 5223.88 127.39 0 -3 3 5105.79 113.79 0 -3 3 5182.28 125.19 0 -3 3 5130.19 126.19 0 -3 3 5162.08 114.99 -1 3 -3 36.9 7.6 -1 3 -3 41.8 7 -1 3 -3 41.2 9 -1 3 -3 45.1 8.4 -1 3 -3 41.9 5.5 -1 3 -3 36.7 8 1 -3 3 30.3 8 1 -3 3 32.2 7.2 1 -3 3 39.6 5.8 1 -3 3 29.3 5.8 -2 3 -3 306.27 13.4 -2 3 -3 325.27 18.2 -2 3 -3 321.37 19.2 -2 3 -3 318.17 19.8 -2 3 -3 300.87 12.7 -2 3 -3 279.87 20.3 2 -3 3 298.07 18.8 2 -3 3 306.17 19.1 2 -3 3 318.77 13.5 2 -3 3 295.17 20.7 2 -3 3 310.37 13.5 2 -3 3 302.87 20.4 -3 3 -3 331.97 20.2 -3 3 -3 339.17 13.9 -3 3 -3 324.77 16.4 -3 3 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52.09 13.3 8 -3 3 53.49 12.5 8 -3 3 58.09 14.6 8 -3 3 41 10.3 8 -3 3 34.3 11.5 -9 3 -3 127.59 18.6 -9 3 -3 79.59 17 -9 3 -3 66.59 13.4 9 -3 3 107.29 21.8 9 -3 3 104.89 18.2 9 -3 3 105.19 16.1 -10 3 -3 29.7 13.2 -10 3 -3 31.3 9.3 -10 3 -3 29.5 11.6 10 -3 3 48.5 22.7 10 -3 3 32.5 12.4 10 -3 3 22.8 12.7 -11 3 -3 7.9 10.2 -11 3 -3 -12.6 8.8 -11 3 -3 4.5 10.8 11 -3 3 13.3 11.7 11 -3 3 13.2 14 -12 3 -3 15.6 10.9 -12 3 -3 6.3 11.8 -12 3 -3 -1.3 11.7 12 -3 3 -17.1 13 12 -3 3 -1.6 8.6 -13 3 -3 -8.1 12.2 -13 3 -3 -2.3 12.4 13 -3 3 -10.7 15.7 -14 3 -3 -11.7 16 -14 3 -3 25.4 16 14 -3 3 -19.4 11.9 14 -3 3 -13.3 16.7 -15 3 -3 18.9 21.5 15 -3 3 1.7 26.8 15 -3 3 -0.6 20.5 16 2 -3 164.88 47 16 2 -3 56.39 17.7 -16 -2 3 64.29 28.1 -16 -2 3 109.09 30.8 15 2 -3 -8.5 12.9 -15 -2 3 -18.6 18.1 -15 -2 3 -15.2 18 14 2 -3 11.9 21.6 14 2 -3 50.19 24.1 14 2 -3 19.7 16.6 -14 -2 3 12.6 19.4 -14 -2 3 -5.9 15 13 2 -3 32.2 15.9 13 2 -3 55.59 20 -13 -2 3 11.9 15.2 -13 -2 3 36.5 16.8 12 2 -3 -20.9 11.2 12 2 -3 -7.8 10.3 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3 5.6 8.4 5 6 3 9.1 3.9 5 6 3 13.4 6.4 5 6 3 0.5 5.5 5 6 3 6.5 5.4 5 6 3 4.6 6.3 5 6 3 3.7 3.7 5 6 3 2 4.5 -6 -6 -3 88.09 12.2 -6 -6 -3 76.99 15.8 -6 -6 -3 94.29 16.6 -6 -6 -3 78.59 14.6 6 6 3 100.19 9.5 6 6 3 85.19 13.4 6 6 3 110.69 15.8 6 6 3 96.79 13.3 6 6 3 113.89 16.4 6 6 3 89.89 13.2 6 6 3 76.29 13.1 -7 -6 -3 852.61 46.8 -7 -6 -3 776.42 45.8 -7 -6 -3 864.91 48 -7 -6 -3 871.81 33.7 7 6 3 791.42 41.7 7 6 3 828.22 30 7 6 3 841.02 39.9 7 6 3 906.01 46.1 7 6 3 783.22 36.9 -8 -6 -3 73.79 10.7 -8 -6 -3 70.59 16.5 -8 -6 -3 69.29 14.1 -8 -6 -3 70.19 15.2 8 6 3 89.49 10.9 8 6 3 92.69 14.2 -9 -6 -3 782.12 50.09 -9 -6 -3 846.72 51.99 -9 -6 -3 838.02 34.1 -9 -6 -3 843.82 50.69 9 6 3 826.22 54.89 9 6 3 838.02 49.3 9 6 3 844.72 40.2 -10 -6 -3 209.88 29.4 -10 -6 -3 225.48 19.4 -10 -6 -3 202.08 26.1 -10 -6 -3 226.58 26.4 10 6 3 244.88 22.7 10 6 3 165.08 29.4 10 6 3 167.18 24.2 -11 -6 -3 84.69 21.2 -11 -6 -3 73.09 19.1 -11 -6 -3 60.49 18.6 11 6 3 64.99 19.9 11 6 3 64.49 14.5 11 6 3 62.69 13.6 -12 -6 -3 117.39 24.1 -12 -6 -3 155.88 29 -12 -6 -3 137.19 28.6 12 6 3 105.69 21.9 12 6 3 131.09 22.5 12 6 3 178.38 31.6 -13 -6 -3 63.09 19.3 -13 -6 -3 58.19 20.8 13 6 3 96.39 19.6 13 6 3 75.49 19.4 13 6 3 71.69 25.4 -14 -6 -3 33.7 14.6 -14 -6 -3 -16 16.1 14 6 3 -3.1 14.6 14 6 3 -2.1 12.6 14 6 3 -17.2 10.8 -15 -6 -3 28.8 27.9 -15 -6 -3 22.1 25.3 15 6 3 43.2 17.1 15 6 3 65.29 23.5 15 6 3 49.8 14.8 16 6 3 41.4 18.7 -17 -6 -3 75.59 22.9 17 6 3 52.29 23 13 -7 -3 30.1 20.9 13 -7 -3 -6.9 19.7 -13 7 3 28.5 14 -13 7 3 -18.7 15.8 12 -7 -3 57.89 24.8 12 -7 -3 59.79 23.8 -12 7 3 51.39 15.2 -12 7 3 45.6 19.5 11 -7 -3 33.2 22.5 11 -7 -3 40.2 18.1 -11 7 3 27.3 15.6 -11 7 3 52.49 19.6 10 -7 -3 8.3 16.8 10 -7 -3 4.3 18.6 -10 7 3 7.7 14.6 -10 7 3 7.9 11.1 9 -7 -3 151.88 32.8 9 -7 -3 103.29 25.7 -9 7 3 101.89 19.9 -9 7 3 134.29 22.3 8 -7 -3 131.89 25.4 8 -7 -3 153.28 30.1 -8 7 3 93.39 19 -8 7 3 142.29 23.9 7 -7 -3 13.9 10.8 7 -7 -3 11 9.8 -7 7 3 12.8 9.4 -7 7 3 5.5 10.6 -7 7 3 -1.5 8 6 -7 -3 -4.5 7 6 -7 -3 2.3 10.8 -6 7 3 2.4 4.2 -6 7 3 -6.3 7.6 -6 7 3 5.3 7.6 5 -7 -3 119.19 24.1 5 -7 -3 87.89 17.8 -5 7 3 96.79 16.5 -5 7 3 93.99 17 4 -7 -3 153.88 20.5 4 -7 -3 178.68 25.5 -4 7 3 184.58 21.5 -4 7 3 161.78 17 -4 7 3 170.78 19.9 3 -7 -3 709.23 45.1 3 -7 -3 561.44 38.3 3 -7 -3 655.23 38.7 -3 7 3 707.43 39.4 -3 7 3 697.43 34.4 -3 7 3 640.64 37.8 2 -7 -3 660.33 39.8 2 -7 -3 709.43 38.5 2 -7 -3 724.83 24.2 2 -7 -3 724.73 43.7 -2 7 3 698.63 29.6 -2 7 3 676.33 38.8 -2 7 3 683.33 23.7 -2 7 3 675.23 33.7 -2 7 3 667.03 36.8 1 -7 -3 1981 69.19 1 -7 -3 1914.31 53.99 1 -7 -3 2141.39 75.09 1 -7 -3 1973.6 75.49 1 -7 -3 2127.29 70.39 -1 7 3 1973.7 64.99 -1 7 3 1889.51 71.39 -1 7 3 1947.91 52.79 -1 7 3 1984.9 58.89 -1 7 3 2003.1 69.89 -1 7 3 1994.9 70.79 -1 7 3 2009.9 58.99 0 -7 -3 207.78 19.2 0 -7 -3 163.58 18.9 0 -7 -3 171.08 17.6 0 -7 -3 194.28 15.8 0 -7 -3 167.88 20.1 0 7 3 129.99 17 0 7 3 163.68 12.5 0 7 3 157.08 16.2 0 7 3 129.89 18 0 7 3 129.89 16.5 0 7 3 179.18 15.5 0 7 3 155.68 15.9 -1 -7 -3 688.93 38.4 -1 -7 -3 617.64 32.8 -1 -7 -3 616.64 29.5 -1 -7 -3 662.23 33.3 -1 -7 -3 607.54 35.4 1 7 3 626.54 28.9 1 7 3 648.34 35.8 1 7 3 678.33 34 1 7 3 654.43 37.5 1 7 3 693.33 31.2 1 7 3 645.34 36.4 1 7 3 646.74 33.1 -2 -7 -3 126.79 14.8 -2 -7 -3 111.09 16.3 -2 -7 -3 155.58 19.5 -2 -7 -3 121.49 14.7 -2 -7 -3 102.29 14.7 -2 -7 -3 116.39 12.6 2 7 3 142.49 17.4 2 7 3 150.78 15.1 2 7 3 131.19 17.7 2 7 3 132.59 14.1 2 7 3 147.79 17.8 2 7 3 126.29 14.3 -3 -7 -3 21.1 7.9 -3 -7 -3 18.9 7.6 -3 -7 -3 14.7 6.1 -3 -7 -3 4.4 5.6 -3 -7 -3 15.7 7 -3 -7 -3 15.5 7.6 3 7 3 13.7 5.4 3 7 3 12.6 7.1 3 7 3 10.1 7.9 3 7 3 9 5.8 3 7 3 13.6 7 3 7 3 4 7.7 -4 -7 -3 851.21 43.3 -4 -7 -3 882.21 41.8 -4 -7 -3 843.42 42.6 -4 -7 -3 877.51 40.1 -4 -7 -3 883.21 37.8 -4 -7 -3 928.81 44.3 4 7 3 917.01 44.9 4 7 3 903.61 42 4 7 3 855.51 40 4 7 3 830.82 42.4 4 7 3 915.71 43 4 7 3 905.31 41.6 -5 -7 -3 14.1 5.7 -5 -7 -3 10.6 7.4 -5 -7 -3 3.1 6.9 -5 -7 -3 -7.9 7.1 -5 -7 -3 14.4 7.1 5 7 3 9.1 6.7 5 7 3 -2 5.7 5 7 3 6.6 5.3 5 7 3 19.6 5.8 5 7 3 7.6 7.5 -6 -7 -3 428.06 32.1 -6 -7 -3 465.65 26.4 -6 -7 -3 495.85 35 -6 -7 -3 368.26 31.2 -6 -7 -3 451.15 32.9 6 7 3 445.46 29.8 6 7 3 471.15 29.2 6 7 3 430.56 32.9 6 7 3 423.36 30.1 6 7 3 466.85 30.4 6 7 3 460.35 33.2 -7 -7 -3 359.46 32.1 -7 -7 -3 297.07 29.3 -7 -7 -3 294.37 20.6 -7 -7 -3 321.37 29.5 7 7 3 311.67 28.9 7 7 3 312.87 23 7 7 3 298.07 24 7 7 3 292.37 25.3 -8 -7 -3 10 7.5 -8 -7 -3 -4.9 7.7 -8 -7 -3 13 9.6 -8 -7 -3 -12 7.3 8 7 3 8.5 7.2 8 7 3 2.6 5.2 8 7 3 -12.6 7.1 8 7 3 1.6 8.5 -9 -7 -3 160.98 21.5 -9 -7 -3 105.89 20.4 -9 -7 -3 112.39 21.6 -9 -7 -3 153.48 16.5 9 7 3 152.08 20.6 9 7 3 116.89 17.1 9 7 3 134.79 24.8 -10 -7 -3 282.87 22.1 -10 -7 -3 237.68 32.9 -10 -7 -3 242.08 30.5 -10 -7 -3 254.17 31.2 10 7 3 243.78 22.3 10 7 3 235.58 31.5 10 7 3 210.58 29 -11 -7 -3 56.09 17.1 -11 -7 -3 40.1 12.9 -11 -7 -3 32 13.8 11 7 3 53.39 17.3 11 7 3 47.7 13.4 11 7 3 34.8 18.4 -12 -7 -3 329.57 41.7 -12 -7 -3 324.07 42 -12 -7 -3 382.96 40 12 7 3 427.46 39.4 12 7 3 302.77 41.4 12 7 3 352.76 29.5 -13 -7 -3 -0.7 17.6 -13 -7 -3 -5 14.1 13 7 3 -6.1 14.4 13 7 3 -23.8 11.9 -14 -7 -3 -24.1 18.9 -14 -7 -3 42.4 18.9 14 7 3 -1.5 11.5 14 7 3 27.7 18.6 14 7 3 -0.4 13.2 -15 -7 -3 28.2 23.6 -15 -7 -3 46.4 25.3 15 7 3 -5.5 21.1 15 7 3 25.9 18 -16 -7 -3 45.7 29.5 -16 -7 -3 -22.3 21.5 16 7 3 -44.9 21 16 7 3 -14.5 20.2 12 -8 -3 16.4 29 12 -8 -3 59.09 26.7 -12 8 3 50.29 18.5 -12 8 3 46.1 18.6 11 -8 -3 37.3 25.9 11 -8 -3 -39.7 19.5 -11 8 3 17.6 13.8 -11 8 3 -1.7 15.7 10 -8 -3 -11.4 16.1 10 -8 -3 14.8 21 -10 8 3 22.7 17.1 -10 8 3 0.3 13.8 9 -8 -3 68.29 27.7 9 -8 -3 67.69 22.3 -9 8 3 67.99 17.5 -9 8 3 60.39 19.1 8 -8 -3 1.7 11.8 8 -8 -3 16.4 19.1 -8 8 3 12.5 11.3 -8 8 3 22.5 14.3 7 -8 -3 614.24 46.4 7 -8 -3 600.24 51.39 -7 8 3 513.85 40.1 -7 8 3 577.34 42.8 6 -8 -3 312.27 30.4 6 -8 -3 273.67 34.7 -6 8 3 352.36 33 -6 8 3 323.27 29.4 5 -8 -3 323.17 35.5 5 -8 -3 342.07 33.6 -5 8 3 376.66 31.4 -5 8 3 308.97 29.1 4 -8 -3 403.46 32.6 4 -8 -3 411.96 38.3 -4 8 3 391.56 32.6 -4 8 3 387.36 31.3 3 -8 -3 -2.8 9.9 3 -8 -3 10.5 7.3 -3 8 3 -6.6 6.9 -3 8 3 15.3 7.6 -3 8 3 -1.7 6.6 -3 8 3 10.7 4.9 2 -8 -3 -8.4 14.1 2 -8 -3 -2.4 5.8 2 -8 -3 -11 8 -2 8 3 -2.8 4.8 -2 8 3 5.5 7.4 -2 8 3 4.7 6.7 -2 8 3 4.5 5.1 -2 8 3 0.9 3.8 1 -8 -3 5.7 4.7 1 -8 -3 1.5 6.4 1 -8 -3 19.4 8.1 1 -8 -3 3.8 7.5 1 -8 -3 9.2 4.1 -1 8 3 11.3 5.2 -1 8 3 -3 4.2 -1 8 3 3.1 5.4 -1 8 3 -4.7 5.2 -1 8 3 8.4 2.4 -1 8 3 -3.1 5.9 -1 8 3 -3.2 4.8 0 -8 -3 55.79 12.8 0 -8 -3 51.89 10.2 0 -8 -3 53.19 9.8 0 -8 -3 45.8 13.7 0 -8 -3 53.09 10.5 0 8 3 42.7 9.7 0 8 3 45.8 12.7 0 8 3 43.5 9.5 0 8 3 44.8 10.3 0 8 3 48.7 13.2 0 8 3 59.79 12.1 0 8 3 33.3 7.4 -1 -8 -3 56.09 11.1 -1 -8 -3 37.3 10.7 -1 -8 -3 50.69 11.4 -1 -8 -3 50.09 10.6 1 8 3 54.39 11.7 1 8 3 51.09 12.7 1 8 3 58.49 11.7 1 8 3 48.1 8.7 1 8 3 50.29 11.7 1 8 3 71.99 11.7 -2 -8 -3 70.39 14.8 -2 -8 -3 99.99 14.6 -2 -8 -3 90.59 15.2 -2 -8 -3 94.89 14.4 2 8 3 62.49 11.6 2 8 3 64.99 14.8 2 8 3 58.69 11.2 2 8 3 71.29 15.6 -3 -8 -3 17.4 7.9 -3 -8 -3 11.2 7.6 -3 -8 -3 11 7.7 -3 -8 -3 8.8 6.5 -3 -8 -3 17.6 7.8 -3 -8 -3 14.4 8.6 3 8 3 10.4 5.2 3 8 3 5.2 4 3 8 3 27.9 7.7 3 8 3 23 6.2 3 8 3 20.4 6.8 3 8 3 9.7 7.7 3 8 3 7.2 8.1 -4 -8 -3 10.6 9.1 -4 -8 -3 10.5 6.1 -4 -8 -3 14.3 9 -4 -8 -3 6.6 6.7 -4 -8 -3 16.2 9 -4 -8 -3 18.1 8.7 4 8 3 7.7 8.7 4 8 3 12.7 7.4 4 8 3 17.9 8.2 4 8 3 18.3 7.1 4 8 3 21.3 7.3 4 8 3 17 8.4 4 8 3 2.7 7.5 -5 -8 -3 52.99 13.3 -5 -8 -3 70.19 15.3 -5 -8 -3 66.09 12 -5 -8 -3 74.39 16.1 -5 -8 -3 66.89 13.6 5 8 3 46.6 11.2 5 8 3 55.29 11.3 5 8 3 50.69 13.9 5 8 3 32.1 10.4 5 8 3 68.99 11.9 5 8 3 47.9 12.5 -6 -8 -3 528.55 38.4 -6 -8 -3 537.85 38 -6 -8 -3 541.65 38.3 -6 -8 -3 484.55 29.6 6 8 3 525.85 32.5 6 8 3 533.15 36.6 6 8 3 534.15 34.3 6 8 3 520.35 33.1 -7 -8 -3 914.61 52.29 -7 -8 -3 896.61 39.6 -7 -8 -3 810.42 49.1 -7 -8 -3 872.51 50.89 7 8 3 879.71 49.3 7 8 3 873.91 45.5 7 8 3 885.01 42.6 -8 -8 -3 217.58 29.3 -8 -8 -3 252.57 27.7 -8 -8 -3 250.07 31.7 8 8 3 265.17 28.5 8 8 3 285.97 23.8 8 8 3 202.48 27.9 8 8 3 196.78 26.4 -9 -8 -3 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39.5 -5 3 5 855.91 37 -5 3 5 790.42 39.2 -5 3 5 852.51 37 -5 3 5 793.72 38.7 -5 3 5 896.71 37.3 4 -3 -5 340.67 25.4 4 -3 -5 325.07 21.6 4 -3 -5 356.66 25.2 4 -3 -5 336.17 20.9 -4 3 5 317.07 21.9 -4 3 5 311.77 20.6 -4 3 5 331.27 20.4 -4 3 5 318.57 23.3 -4 3 5 331.87 20.9 3 -3 -5 398.56 26.5 3 -3 -5 389.16 21.8 3 -3 -5 375.96 24.6 3 -3 -5 380.76 21.5 -3 3 5 377.66 20.8 -3 3 5 380.56 20.4 -3 3 5 364.16 24.5 -3 3 5 377.16 23.6 -3 3 5 412.66 22.4 2 -3 -5 293.57 20.9 2 -3 -5 302.47 18.2 2 -3 -5 313.57 17.8 2 -3 -5 301.17 21.8 -2 3 5 288.37 16 -2 3 5 333.67 18.2 -2 3 5 297.07 17.9 -2 3 5 273.37 19.2 -2 3 5 301.47 21.2 1 -3 -5 5 3 1 -3 -5 4 4.3 1 -3 -5 1.3 3.8 1 -3 -5 7.2 4.9 1 -3 -5 11.6 4.1 -1 3 5 3.1 3.5 -1 3 5 2.3 4.1 -1 3 5 8.3 3.4 -1 3 5 12.7 5.2 -1 3 5 3.4 3.9 0 -3 -5 670.43 30.1 0 -3 -5 616.34 20.8 0 -3 -5 578.44 23.4 0 -3 -5 584.94 28.5 0 -3 -5 564.04 24.9 0 3 5 661.33 29 0 3 5 630.64 29.7 0 3 5 586.14 18.9 0 3 5 592.24 24.9 0 3 5 623.64 23.2 -1 -3 -5 740.73 23.8 -1 -3 -5 771.92 32.7 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-1 -4 -5 235.68 17.8 -1 -4 -5 210.58 12.4 -1 -4 -5 236.68 18.3 -1 -4 -5 202.38 15.2 -1 -4 -5 183.28 12.5 1 4 5 243.08 15.9 1 4 5 215.28 18.2 1 4 5 224.18 11.7 1 4 5 231.68 17.1 1 4 5 239.18 14.4 1 4 5 212.78 13 1 4 5 226.28 14.5 1 4 5 227.18 12.6 -2 -4 -5 358.66 21 -2 -4 -5 364.26 16.7 -2 -4 -5 330.27 21.3 -2 -4 -5 358.26 23 -2 -4 -5 349.17 18.3 2 4 5 366.36 17.8 2 4 5 375.66 17 2 4 5 350.66 21.6 2 4 5 353.86 16.9 2 4 5 331.27 16 2 4 5 336.77 17.1 2 4 5 359.56 20.5 2 4 5 336.07 22.7 -3 -4 -5 1331.47 49 -3 -4 -5 1354.46 44.8 -3 -4 -5 1295.47 40.3 -3 -4 -5 1327.07 47.7 3 4 5 1271.27 49.2 3 4 5 1339.77 47.8 3 4 5 1305.97 42.7 3 4 5 1338.57 36.8 3 4 5 1316.27 47.8 3 4 5 1411.06 53.19 3 4 5 1324.47 37.7 3 4 5 1304.07 37.7 -4 -4 -5 647.94 28 -4 -4 -5 621.44 30.1 -4 -4 -5 621.64 20 -4 -4 -5 627.64 31 -4 -4 -5 674.43 34.3 4 4 5 593.64 28.6 4 4 5 647.94 24.7 4 4 5 624.04 31.8 4 4 5 671.73 35 4 4 5 645.64 31.8 4 4 5 613.34 32.9 4 4 5 605.84 31 4 4 5 628.14 20.2 -5 -4 -5 2004.7 60.79 -5 -4 -5 1954.7 64.79 -5 -4 -5 1949.1 69.69 -5 -4 -5 1836.72 66.49 -5 -4 -5 1934.21 64.39 5 4 5 1834.92 64.79 5 4 5 1961.3 68.09 5 4 5 1855.31 61.39 5 4 5 1895.41 64.39 5 4 5 1877.91 61.89 5 4 5 1908.11 54.29 -6 -4 -5 17.5 7.2 -6 -4 -5 12.1 7.2 -6 -4 -5 14.5 7 -6 -4 -5 6.4 5.1 -6 -4 -5 5.6 5.9 6 4 5 10.4 5.5 6 4 5 9.4 6.9 6 4 5 14.6 6.3 6 4 5 14.3 7 6 4 5 14.3 5.3 6 4 5 25.3 7.3 -7 -4 -5 882.41 43.9 -7 -4 -5 818.62 40.7 -7 -4 -5 845.42 45.1 -7 -4 -5 774.32 42.2 -7 -4 -5 798.52 43.8 7 4 5 808.42 43.5 7 4 5 803.02 35.1 7 4 5 770.82 39.8 7 4 5 797.22 38.3 7 4 5 836.42 43.9 7 4 5 781.82 39.6 -8 -4 -5 81.39 17 -8 -4 -5 77.39 15.5 -8 -4 -5 67.29 13.5 -8 -4 -5 76.29 15.7 8 4 5 86.09 11.2 8 4 5 53.99 13.1 8 4 5 85.39 15.1 -9 -4 -5 4.8 8.8 -9 -4 -5 -4.2 7.2 -9 -4 -5 15.7 7.4 9 4 5 3.9 5.5 9 4 5 -6.4 6.8 -10 -4 -5 -2 7.7 -10 -4 -5 6.8 7.6 -10 -4 -5 3.8 6.4 10 4 5 4.2 6.6 10 4 5 -7 6.5 -11 -4 -5 127.09 24.4 -11 -4 -5 111.99 20.9 -11 -4 -5 107.59 21.6 11 4 5 123.99 20.9 11 4 5 75.49 18.1 -12 -4 -5 15.8 12.4 -12 -4 -5 2.7 12.2 -12 -4 -5 13 12 12 4 5 6.6 15.1 12 4 5 3.6 11 12 4 5 -5.5 8.6 -13 -4 -5 24.2 16 -13 -4 -5 8.2 13.8 -13 -4 -5 55.89 14.5 13 4 5 19 14.7 13 4 5 43 18.5 13 4 5 -5.7 14.1 -14 -4 -5 0.4 18 -14 -4 -5 35.4 16.7 -14 -4 -5 20.9 16.1 14 4 5 24.8 15.6 14 4 5 23.4 17.9 14 4 5 0.2 15.6 -15 -4 -5 163.88 29.2 -15 -4 -5 91.59 26.1 15 4 5 99.19 26.9 15 4 5 122.69 29 -16 -4 -5 200.28 44 -16 -4 -5 154.98 30.5 16 4 5 137.79 27 16 4 5 111.99 31.3 -17 -4 -5 -48.8 21.5 17 4 5 3.4 24.6 17 4 5 37.9 24.4 14 -5 -5 32.4 16.6 14 -5 -5 -4 19.7 -14 5 5 5 19.3 -14 5 5 -36.4 16.8 13 -5 -5 44.3 14.9 13 -5 -5 6.2 25.5 -13 5 5 13.9 17.5 -13 5 5 20.9 13.6 12 -5 -5 22.6 20.8 -12 5 5 -10.6 14.9 -12 5 5 -5.3 10.9 11 -5 -5 5.5 18.6 11 -5 -5 -1.8 13.1 -11 5 5 -7 13.2 -11 5 5 -7.9 7.8 10 -5 -5 11.2 12.6 10 -5 -5 30.9 18.7 -10 5 5 14 12.4 -10 5 5 29.7 11.4 9 -5 -5 3.1 14 9 -5 -5 32.7 13.7 -9 5 5 -4.4 10 -9 5 5 10.2 9.7 8 -5 -5 1011.3 59.79 8 -5 -5 848.72 51.99 8 -5 -5 950.7 44.8 -8 5 5 935.81 50.09 -8 5 5 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20.9 2 -9 6 -5.8 9.9 -3 9 -6 674.73 46.1 -3 9 -6 614.04 48.3 3 -9 6 644.34 48.4 3 -9 6 685.93 45.2 -4 9 -6 220.18 27.5 -4 9 -6 163.88 27.4 4 -9 6 217.68 33.7 4 -9 6 159.48 28 -5 9 -6 301.27 34 -5 9 -6 334.57 31.7 5 -9 6 315.57 33.8 5 -9 6 385.86 46.6 -6 9 -6 246.38 28.6 -6 9 -6 187.18 31.5 6 -9 6 156.88 24.8 -7 9 -6 21.6 13.7 -7 9 -6 21.2 17.8 -7 9 -6 33.1 12.1 7 -9 6 41.8 15.6 7 -9 6 85.49 27.8 -8 9 -6 -1.1 11.8 -8 9 -6 -12.7 16.3 -8 9 -6 12.9 9.7 8 -9 6 36.8 28.7 -9 9 -6 46.2 22.6 -9 9 -6 18.9 14.5 -9 9 -6 21.7 21 -10 9 -6 41 18.7 -10 9 -6 41.3 22.5 15 8 -6 31.6 19.3 -15 -8 6 14.9 28.4 14 8 -6 -6.2 23.1 -14 -8 6 -3.5 29.5 -14 -8 6 25.9 18.3 13 8 -6 139.49 32.3 -13 -8 6 110.59 31.3 -13 -8 6 172.48 36.1 12 8 -6 -4.8 13.5 -12 -8 6 -8.4 17.5 -12 -8 6 -7.4 16.4 -12 -8 6 -26.3 16.2 11 8 -6 116.39 26.9 -11 -8 6 122.09 29.5 -11 -8 6 126.89 32.6 -11 -8 6 95.19 23.9 10 8 -6 27.6 18.2 -10 -8 6 6.8 14.8 -10 -8 6 22.8 18.9 -10 -8 6 37.7 17.1 9 8 -6 20.3 12.8 -9 -8 6 42.9 16.4 -9 -8 6 19.1 15.1 -9 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0 8 -6 1767.52 60.79 0 8 -6 1891.11 62.29 0 -8 6 1901.91 64.89 0 -8 6 1734.93 74.39 0 -8 6 1900.31 69.49 -1 8 -6 189.08 16.2 -1 8 -6 151.88 23.3 -1 8 -6 155.38 17.6 -1 8 -6 174.78 24.6 1 -8 6 159.18 18 1 -8 6 121.19 20.3 1 -8 6 199.98 24.6 -2 8 -6 819.22 52.19 -2 8 -6 750.12 32 -2 8 -6 795.62 47.9 2 -8 6 788.42 48 2 -8 6 807.82 47.6 -3 8 -6 141.39 13.4 -3 8 -6 111.89 20 -3 8 -6 119.29 22.4 3 -8 6 115.29 20.9 3 -8 6 97.89 17.8 -4 8 -6 66.59 18.5 -4 8 -6 81.69 16.7 4 -8 6 98.39 23.1 4 -8 6 77.39 17.2 -5 8 -6 11 8.2 -5 8 -6 -1.1 8.9 5 -8 6 35.2 17.1 5 -8 6 29.6 9.2 -6 8 -6 42.1 12.1 -6 8 -6 37.7 12.1 6 -8 6 20.2 12.2 6 -8 6 54.09 19.9 -7 8 -6 55.29 17.4 -7 8 -6 57.69 18.3 -7 8 -6 45.8 13.7 7 -8 6 43.8 16.3 7 -8 6 56.19 23.7 -8 8 -6 68.69 16.4 -8 8 -6 99.99 25.1 -8 8 -6 70.69 20.3 8 -8 6 95.79 29.5 -9 8 -6 -6.4 9.5 -9 8 -6 -4.6 10.9 -9 8 -6 -4.2 15.6 9 -8 6 7.8 16.1 -10 8 -6 78.29 21 -10 8 -6 26.5 12.2 -10 8 -6 50.09 18.3 10 -8 6 23.6 32.6 -11 8 -6 44.2 20.5 -11 8 -6 5.2 23.3 11 -8 6 25.2 33.7 -12 8 -6 27.9 21.9 12 -8 6 39.9 39.8 15 7 -6 4.5 22.9 -15 -7 6 -6.5 22.4 -15 -7 6 -56.19 29 14 7 -6 93.49 26.1 -14 -7 6 47 31.6 -14 -7 6 18.3 20.6 13 7 -6 141.59 29.4 -13 -7 6 121.39 37.8 -13 -7 6 85.79 25 -13 -7 6 113.29 29 12 7 -6 87.39 25.6 -12 -7 6 78.49 17.6 -12 -7 6 73.69 23.7 -12 -7 6 104.29 23.8 11 7 -6 89.59 22.3 -11 -7 6 95.69 24 -11 -7 6 108.39 29.1 -11 -7 6 76.89 25 10 7 -6 195.48 32.5 -10 -7 6 171.58 29.8 -10 -7 6 146.79 29.6 -10 -7 6 175.18 29.1 9 7 -6 15.8 11 -9 -7 6 36.9 17.5 -9 -7 6 2.7 9.4 -9 -7 6 21.3 13.3 8 7 -6 54.99 12.5 -8 -7 6 41.2 14.6 -8 -7 6 27.4 12.7 -8 -7 6 56.49 16.8 7 7 -6 96.09 19.1 -7 -7 6 84.69 20.2 -7 -7 6 70.69 17.6 -7 -7 6 70.99 19.7 6 7 -6 15.5 12.6 6 7 -6 23.4 10 -6 -7 6 41.4 12.5 -6 -7 6 29.2 13 -6 -7 6 19.3 11.5 -6 -7 6 1.5 10.7 5 7 -6 926.11 50.69 5 7 -6 929.31 40.5 5 7 -6 960.8 58.19 -5 -7 6 958.2 44.9 -5 -7 6 818.72 54.99 -5 -7 6 975.7 51.69 4 7 -6 26.7 11.6 4 7 -6 49.1 13.3 4 7 -6 41.3 8.4 -4 -7 6 37.9 7 -4 -7 6 29.1 9.1 -4 -7 6 35.6 11.3 3 7 -6 2014.6 83.29 3 7 -6 2003.3 89.49 3 7 -6 1965.4 71.69 3 7 -6 1948.21 55.89 3 7 -6 1949.41 56.89 -3 -7 6 2095.49 77.29 -3 -7 6 2075.49 78.09 -3 -7 6 1846.52 82.29 -3 -7 6 1975.2 61.79 2 7 -6 1.9 3.1 2 7 -6 14.4 6.3 2 7 -6 4.9 6.3 2 7 -6 -9 8.5 -2 -7 6 24 8.2 -2 -7 6 6.4 7.3 -2 -7 6 8 9 1 7 -6 562.74 32 1 7 -6 516.05 25.7 1 7 -6 515.75 41.3 1 7 -6 590.94 40.2 -1 -7 6 583.84 32.5 -1 -7 6 535.55 36.3 -1 -7 6 495.05 39.5 -1 -7 6 544.85 30.6 0 7 -6 15.2 7.4 0 7 -6 6.8 5.8 0 7 -6 4 6.1 0 7 -6 8 9.2 0 -7 6 5.6 7.3 0 -7 6 5.3 5.5 0 -7 6 19.4 7.8 -1 7 -6 -0.2 6.9 -1 7 -6 0.2 5.9 -1 7 -6 4 9.8 -1 7 -6 -10.2 5.2 1 -7 6 -5.1 6.1 1 -7 6 6.9 7.8 1 -7 6 1.1 6.6 -2 7 -6 6.4 7 -2 7 -6 2.3 7.1 -2 7 -6 14.3 5.6 -2 7 -6 -2.4 5.7 2 -7 6 2.9 7.9 2 -7 6 4.6 7.5 2 -7 6 -9.9 6.4 -3 7 -6 0.2 8.4 -3 7 -6 -4.6 6.4 -3 7 -6 7.7 3.7 3 -7 6 -8.7 6.3 3 -7 6 -5.2 6.7 3 -7 6 2.1 7.3 -4 7 -6 99.79 20.7 -4 7 -6 107.99 9.8 -4 7 -6 137.09 18.5 4 -7 6 84.69 11.9 4 -7 6 106.49 17.5 4 -7 6 123.39 22.6 -5 7 -6 4.3 8 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26.4 9 6 -6 204.18 28.3 -9 -6 6 236.68 28.9 -9 -6 6 171.28 26.6 8 6 -6 745.83 46.8 -8 -6 6 724.03 49.3 -8 -6 6 619.14 49.2 -8 -6 6 732.23 46 7 6 -6 155.08 21.6 -7 -6 6 123.29 22.9 -7 -6 6 124.19 22.4 -7 -6 6 157.98 22.9 6 6 -6 632.74 40.2 6 6 -6 659.43 48.2 -6 -6 6 658.13 40.5 -6 -6 6 656.93 44.5 -6 -6 6 600.84 45.1 -6 -6 6 562.74 37.3 5 6 -6 -7.4 8.4 5 6 -6 0 5.5 -5 -6 6 9.5 7.5 -5 -6 6 -5 5.9 4 6 -6 13.4 7.5 4 6 -6 -0.9 6 -4 -6 6 -10.2 5.7 -4 -6 6 13.1 7.2 -4 -6 6 -11.2 7.5 -4 -6 6 -2.3 8.4 3 6 -6 207.28 24.8 3 6 -6 219.28 28.4 3 6 -6 189.78 18.5 3 6 -6 183.58 13.4 -3 -6 6 181.98 23.5 -3 -6 6 162.48 20 -3 -6 6 195.78 20.6 -3 -6 6 199.48 16 2 6 -6 30.2 9.8 2 6 -6 28 6 2 6 -6 27.2 10.9 2 6 -6 26 7.8 2 6 -6 20.4 8.6 2 6 -6 17.5 9.9 -2 -6 6 10.7 8.9 -2 -6 6 34.5 6.5 -2 -6 6 21.2 8.8 1 6 -6 3.6 6.8 1 6 -6 5.8 6.6 1 6 -6 17.8 7.7 1 6 -6 22.2 7.1 1 6 -6 6 4.6 -1 -6 6 7.2 5.9 -1 -6 6 -7.2 5.6 -1 -6 6 17.4 10.8 -1 -6 6 -4.4 5.6 0 6 -6 54.19 11.1 0 6 -6 74.39 16.6 0 6 -6 54.09 9.6 0 6 -6 58.99 13.9 0 6 -6 65.69 14.8 0 -6 6 71.09 12.2 0 -6 6 85.59 13 0 -6 6 61.99 13.1 -1 6 -6 3.4 4.5 -1 6 -6 -2.8 3.2 -1 6 -6 -5.3 5.1 -1 6 -6 2.9 6 -1 6 -6 -4.2 4.8 1 -6 6 -7.7 5.1 1 -6 6 5.2 4.1 1 -6 6 4.2 6.9 1 -6 6 5.2 7.2 1 -6 6 13.9 7.1 -2 6 -6 74.69 16.6 -2 6 -6 62.29 10.8 -2 6 -6 96.29 11.2 -2 6 -6 74.69 14.6 2 -6 6 75.99 16 2 -6 6 88.19 14.9 2 -6 6 87.39 15.5 -3 6 -6 222.98 25.6 -3 6 -6 239.48 24.4 -3 6 -6 237.38 15.2 -3 6 -6 226.98 20.5 3 -6 6 219.98 16.9 3 -6 6 205.08 23.3 3 -6 6 247.28 24.2 -4 6 -6 360.36 30.3 -4 6 -6 365.46 33.3 -4 6 -6 353.46 17.9 -4 6 -6 380.76 19.4 4 -6 6 411.86 31.4 4 -6 6 372.86 19.7 4 -6 6 374.26 32.3 4 -6 6 355.46 20.3 -5 6 -6 993.2 39 -5 6 -6 1030.1 33.1 -5 6 -6 1072.99 52.19 -5 6 -6 1072.79 57.39 5 -6 6 939.61 40.1 5 -6 6 1058.39 52.39 5 -6 6 1074.29 56.69 -6 6 -6 80.99 15.2 -6 6 -6 59.39 15.4 6 -6 6 93.09 15.5 6 -6 6 70.89 19 6 -6 6 90.49 15.7 -7 6 -6 589.04 41.2 -7 6 -6 631.54 40.8 -7 6 -6 639.54 45.5 7 -6 6 615.54 36.9 7 -6 6 671.23 42.3 7 -6 6 608.14 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-4 -26 16.3 19 5 4 26 15.2 35.4 -6 -4 -26 127.59 40.2 -6 -4 -26 71.79 29.1 -7 -4 -26 -26.6 17.1 -7 -4 -26 -36.8 37.7 7 4 26 -13.9 41.2 -8 -4 -26 102.49 36 8 4 26 127.99 45.7 3 -5 -26 -9.8 15.5 3 -5 -26 49.99 23.3 -3 5 26 -1.2 19.3 2 -5 -26 -10.4 14.5 -2 5 26 8.7 11.9 1 -5 -26 9 18.7 1 -5 -26 22.8 23.6 -1 5 26 59.09 20.8 0 -5 -26 43 22.5 0 -5 -26 37.1 22 0 5 26 10.3 16 -1 -5 -26 91.49 24.2 -1 -5 -26 129.49 26.8 -2 -5 -26 -17.9 14.2 2 5 26 11 31.8 -3 -5 -26 196.68 28.5 -3 -5 -26 126.99 28.2 3 5 26 166.18 46.8 -4 -5 -26 3.4 19.2 -4 -5 -26 -28.9 17.3 4 5 26 -15.7 33.6 -6 -5 -26 16.3 19.6 -6 -5 -26 8.1 16.3 6 5 26 -14 45.5 6 5 26 -8.3 40 -7 -5 -26 18.9 16.4 -7 -5 -26 5.3 22.6 -8 -5 -26 10.3 20.7 -8 -5 -26 -32.6 36.3 8 5 26 -51.69 48.7 2 -6 -26 57.29 23 -2 6 26 32.3 21.7 -1 6 26 -16.8 16.9 0 -6 -26 80.99 28.3 0 -6 -26 35.8 18.1 0 6 26 43.6 18.9 -1 -6 -26 -8.7 16.5 -1 -6 -26 25.5 18.6 1 6 26 -14.5 39.9 -2 -6 -26 0.8 16 2 6 26 -49.99 41.1 -3 -6 -26 -13.5 14.4 -3 -6 -26 -14.6 16.6 3 6 26 12.7 34 -4 -6 -26 41 19.6 4 6 26 52.39 27.6 -5 -6 -26 -12.7 17.4 -5 -6 -26 44.1 21.1 5 6 26 -41.2 37.6 5 6 26 -38.7 42.6 -6 -6 -26 -9.4 14.5 -6 -6 -26 9.2 17.2 6 6 26 -63.79 41.5 6 6 26 -44.3 39.8 -7 -6 -26 -16 15.3 -7 -6 -26 13.7 14.5 7 6 26 74.59 44.1 7 6 26 -49.2 39.8 -8 -6 -26 -11.8 18.9 -8 -6 -26 11.2 20.3 0 -7 -26 10.5 17.2 -1 -7 -26 -5.9 16.4 1 7 26 -4.3 49.4 -2 -7 -26 -27.4 20.2 -2 -7 -26 -17.7 16.1 2 7 26 78.49 39.2 -3 -7 -26 9 20.3 3 7 26 111.49 33.9 -4 -7 -26 -5.2 15.6 -4 -7 -26 -35.3 25 -5 -7 -26 -3.1 22.2 -5 -7 -26 47.7 23 5 7 26 13.9 44.8 5 7 26 21.8 42.8 -6 -7 -26 44.8 20.9 -6 -7 -26 27.7 18.3 6 7 26 -24.5 38.7 6 7 26 139.19 44.9 -7 -7 -26 45.7 21.4 -7 -7 -26 31.9 24.8 7 7 26 19.8 43.7 0 -8 -26 -6.2 16.5 -1 -8 -26 52.59 24.8 1 8 26 52.89 53.29 -2 -8 -26 64.39 23.6 -3 -8 -26 1.4 15.9 -3 -8 -26 -10.8 27 3 8 26 45.6 47.8 -4 -8 -26 67.49 24.2 -4 -8 -26 69.09 21.7 4 8 26 59.09 44.6 -5 -8 -26 67.69 22.7 -5 -8 -26 34.2 15.5 5 8 26 30 37.4 5 8 26 47.4 49.1 -6 -8 -26 -1.9 18.1 6 8 26 -21.6 43.5 -7 -8 -26 36.4 13.8 -7 -8 -26 -21.8 20.3 7 8 26 1.5 42.7 -2 -9 -26 135.59 24.7 -5 -9 -26 68.59 18.1 5 9 26 104.39 31.7 1 1 -27 43.5 19.5 -1 -1 27 16 21.2 0 1 -27 -23.3 18.5 0 -1 27 -23.7 18.5 -1 1 -27 46.8 38.8 -1 1 -27 47.3 23 1 -1 27 108.59 26.7 -2 1 -27 11.8 18.2 -2 1 -27 101.79 32.8 -3 1 -27 36.4 16.6 -2 0 27 49.99 24 -1 0 27 5.6 20.5 0 0 -27 78.39 20.2 0 0 27 -5.3 18.2 -1 0 -27 2.6 16 1 0 27 -15.6 17.4 -2 0 -27 -24.9 40.6 -2 0 -27 -3.4 17.4 -3 0 -27 91.99 37.3 -4 0 -27 70.39 15.8 -5 0 -27 138.19 38.7 2 -1 -27 38.3 18 -2 1 27 -7.7 18.1 1 -1 -27 7.2 21.9 -1 1 27 10.1 15.8 0 1 27 11.5 18.6 -1 -1 -27 30.1 15.5 1 1 27 -3 17.8 -3 -1 -27 29.2 20.9 -3 -1 -27 -43.7 37.3 -4 -1 -27 128.59 38.7 -5 -1 -27 24 35 -5 -1 -27 20.8 17.5 2 -2 -27 174.18 24.9 1 -2 -27 66.09 16.2 -1 2 27 3.7 17.2 0 -2 -27 56.39 24.9 0 2 27 45.1 20.1 -1 -2 -27 44 20.6 1 2 27 -36.6 21.5 -2 -2 -27 23.9 18.7 -3 -2 -27 -0.8 18.5 -4 -2 -27 -11.5 39.8 -4 -2 -27 -5.8 19.3 -5 -2 -27 96.29 36.3 -6 -2 -27 154.38 38.3 1 -3 -27 108.59 20.4 0 -3 -27 -11.4 20.7 0 3 27 10.4 17.2 -1 -3 -27 52.19 16.6 -2 -3 -27 1.2 18.3 -3 -3 -27 28.3 20.7 -4 -3 -27 16.6 18.3 -5 -3 -27 45.1 21.3 -6 -3 -27 -55.29 32.5 -6 -3 -27 -37.8 15.9 6 3 27 -80.39 35.4 1 -4 -27 9.4 15.8 1 -4 -27 -21.6 24.8 -1 4 27 -7.8 18.4 0 -4 -27 53.59 22.2 0 -4 -27 -22.1 18 0 4 27 -29.2 15.4 -1 -4 -27 -14.7 20.2 -2 -4 -27 92.49 22.5 -3 -4 -27 2.2 18.9 -4 -4 -27 6.2 17.2 -5 -4 -27 107.09 21.7 5 4 27 71.59 50.99 6 4 27 83.49 35.3 1 -5 -27 2.3 20.6 1 -5 -27 -2.1 27.4 -1 5 27 16 18.8 0 -5 -27 50.79 24.3 0 -5 -27 14.2 20.1 0 5 27 -1.1 18.6 -1 -5 -27 97.79 21.4 -1 -5 -27 13.2 16.5 -2 -5 -27 73.29 29.4 -2 -5 -27 62.99 22.7 -3 -5 -27 -0.9 17.9 -3 -5 -27 -14.7 16.6 -4 -5 -27 60.19 25.4 -4 -5 -27 48.8 22.6 4 5 27 34.6 50.39 -5 -5 -27 -32.7 17 5 5 27 -14 42.5 0 -6 -27 8.6 15.4 -1 -6 -27 16.8 17.1 -2 -6 -27 15.1 17.3 -2 -6 -27 -30.9 17 -3 -6 -27 2.8 16.4 3 6 27 -56.49 45.2 -4 -6 -27 48.1 23 -4 -6 -27 31.9 21.4 4 6 27 82.49 44.9 5 6 27 -17.7 45.2 -6 -6 -27 -31 20.9 -6 -6 -27 -0.4 19.3 -1 -7 -27 32.6 26.4 -1 -7 -27 23.2 12.1 -2 -7 -27 66.99 24.6 -3 -7 -27 64.19 13.8 -4 -7 -27 8.8 17.4 -4 -7 -27 24.2 23.3 -5 -7 -27 24.7 17.9 -2 -3 -28 -4.6 21.9 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 N4 Pt1 N3 78.8(3) . . ? N4 Pt1 N2 102.3(3) . . ? N4 Pt1 N1 173.7(3) . . ? N2 Pt1 N3 175.7(4) . . ? N2 Pt1 N1 78.7(3) . . ? N1 Pt1 N3 100.6(4) . . ? N16 Pt2 N21 171.8(4) . . ? N16 Pt2 N5 78.9(4) . . ? N23 Pt2 N21 78.2(4) . . ? N23 Pt2 N16 100.8(3) . . ? N23 Pt2 N5 172.0(4) . . ? N5 Pt2 N21 103.3(4) . . ? N25 Pt3 N6 99.5(4) . . ? N25 Pt3 N8 170.3(4) . . ? N25 Pt3 N66 77.8(4) . . ? N6 Pt3 N8 79.3(4) . . ? N6 Pt3 N66 168.8(4) . . ? N8 Pt3 N66 105.2(4) . . ? C5 N3 Pt1 113.3(7) . . ? C1 N3 Pt1 129.0(9) . . ? C1 N3 C5 117.5(10) . . ? C9 N4 Pt1 141.2(7) . . ? C9 N4 C6 105.7(8) . . ? C6 N4 Pt1 112.3(6) . . ? C32 N2 Pt1 141.5(8) . . ? C32 N2 C22 105.8(9) . . ? C22 N2 Pt1 111.8(7) . . ? C21 N1 Pt1 111.5(7) . . ? C17 N1 Pt1 130.5(8) . . ? C17 N1 C21 117.6(10) . . ? C16 O3 C15 122.3(9) . . ? C66 N21 Pt2 130.1(9) . . ? C36 N21 Pt2 111.7(7) . . ? C36 N21 C66 117.3(11) . . ? C37 N16 Pt2 112.3(7) . . ? C40 N16 Pt2 140.5(8) . . ? C40 N16 C37 106.7(10) . . ? C41 N23 Pt2 112.7(7) . . ? C42 N23 Pt2 140.2(8) . . ? C42 N23 C41 106.5(9) . . ? C78 N25 Pt3 112.5(8) . . ? C79 N25 Pt3 138.7(8) . . ? C79 N25 C78 108.5(10) . . ? C15 C10 C9 116.4(10) . . ? C15 C10 C11 117.1(10) . . ? C11 C10 C9 126.4(10) . . ? C26 O1 C25 122.5(10) . . ? C44 O6 C45 122.8(10) . . ? C33 N5 Pt2 130.2(10) . . ? C33 N5 C53 116.5(11) . . ? C53 N5 Pt2 113.0(7) . . ? C54 O5 C55 121.9(10) . . ? C72 N6 Pt3 140.0(8) . . ? C72 N6 C87 106.5(10) . . ? C87 N6 Pt3 112.3(7) . . ? C75 O7 C74 123.0(11) . . ? C82 N8 Pt3 112.0(8) . . ? C86 N8 Pt3 131.1(9) . . ? C86 N8 C82 116.3(11) . . ? C76 C47 H47 127.7 . . ? C87 C47 H47 127.7 . . ? C87 C47 C76 104.5(11) . . ? C94 O11 C93 123.3(12) . . ? N3 C5 C4 120.4(11) . . ? N3 C5 C6 112.7(10) . . ? C4 C5 C6 126.4(12) . . ? C5 C4 H4 120.0 . . ? C3 C4 C5 120.0(14) . . ? C3 C4 H4 120.0 . . ? C4 C3 H3 120.0 . . ? C4 C3 C2 120.0(13) . . ? C2 C3 H3 120.0 . . ? C3 C2 H2 120.6 . . ? C1 C2 C3 118.8(12) . . ? C1 C2 H2 120.6 . . ? N3 C1 C2 122.9(13) . . ? N3 C1 H1 118.6 . . ? C2 C1 H1 118.6 . . ? N4 C9 C10 130.9(10) . . ? N4 C9 C8 109.2(9) . . ? C8 C9 C10 119.9(10) . . ? C9 C8 C7 107.3(10) . . ? C9 C8 C16 122.0(11) . . ? C7 C8 C16 130.7(11) . . ? C8 C7 H7 127.1 . . ? C6 C7 C8 105.7(10) . . ? C6 C7 H7 127.1 . . ? N4 C6 C5 115.5(10) . . ? C7 C6 N4 111.5(9) . . ? C7 C6 C5 132.4(11) . . ? N2 C32 C24 109.2(10) . . ? N2 C32 C31 131.0(10) . . ? C24 C32 C31 119.7(10) . . ? C32 C24 C25 121.8(12) . . ? C23 C24 C32 107.5(10) . . ? C23 C24 C25 130.6(12) . . ? C24 C23 H23 127.6 . . ? C22 C23 C24 104.8(11) . . ? C22 C23 H23 127.6 . . ? N2 C22 C21 113.6(10) . . ? C23 C22 N2 112.4(10) . . ? C23 C22 C21 133.2(11) . . ? N1 C21 C22 114.9(10) . . ? N1 C21 C20 120.3(11) . . ? C20 C21 C22 124.6(11) . . ? C21 C20 H20 119.9 . . ? C19 C20 C21 120.1(13) . . ? C19 C20 H20 119.9 . . ? C20 C19 H19 120.4 . . ? C20 C19 C18 119.2(13) . . ? C18 C19 H19 120.4 . . ? C19 C18 H18 121.2 . . ? C17 C18 C19 117.6(13) . . ? C17 C18 H18 121.2 . . ? N1 C17 C18 124.4(13) . . ? N1 C17 H17 117.8 . . ? C18 C17 H17 117.8 . . ? C10 C15 O3 122.0(10) . . ? C10 C15 C14 123.1(12) . . ? C14 C15 O3 114.9(10) . . ? O3 C16 C8 115.8(11) . . ? O4 C16 O3 116.3(11) . . ? O4 C16 C8 127.8(12) . . ? C10 C11 H11 119.4 . . ? C12 C11 C10 121.1(11) . . ? C12 C11 H11 119.4 . . ? C11 C12 H12 120.8 . . ? C13 C12 C11 118.5(11) . . ? C13 C12 H12 120.8 . . ? C12 C13 H13 118.9 . . ? C14 C13 C12 122.2(12) . . ? C14 C13 H13 118.9 . . ? C15 C14 H14 121.1 . . ? C13 C14 C15 117.8(12) . . ? C13 C14 H14 121.1 . . ? C26 C31 C32 114.9(11) . . ? C30 C31 C32 126.7(10) . . ? C30 C31 C26 118.4(11) . . ? O1 C26 C31 123.8(12) . . ? O1 C26 C27 116.2(11) . . ? C27 C26 C31 120.0(13) . . ? O2 C25 O1 116.7(12) . . ? O2 C25 C24 126.7(15) . . ? O1 C25 C24 116.6(12) . . ? C31 C30 H30 119.0 . . ? C31 C30 C29 122.0(11) . . ? C29 C30 H30 119.0 . . ? C30 C29 H29 120.6 . . ? C30 C29 C28 118.8(13) . . ? C28 C29 H29 120.6 . . ? C29 C28 H28 119.5 . . ? C27 C28 C29 121.1(13) . . ? C27 C28 H28 119.5 . . ? C26 C27 H27 120.3 . . ? C28 C27 C26 119.5(12) . . ? C28 C27 H27 120.3 . . ? N21 C66 H66 119.1 . . ? C49 C66 N21 121.9(15) . . ? C49 C66 H66 119.1 . . ? C66 C49 H49 120.0 . . ? C50 C49 C66 120.0(15) . . ? C50 C49 H49 120.0 . . ? C49 C50 H50 119.9 . . ? C49 C50 C51 120.2(16) . . ? C51 C50 H50 119.9 . . ? C50 C51 H51 120.9 . . ? C50 C51 C36 118.3(15) . . ? C36 C51 H51 120.9 . . ? N21 C36 C51 122.1(12) . . ? N21 C36 C41 113.9(10) . . ? C51 C36 C41 123.2(12) . . ? N16 C37 C53 115.6(11) . . ? C38 C37 N16 111.1(11) . . ? C38 C37 C53 132.5(12) . . ? C37 C38 H38 127.0 . . ? C37 C38 C39 105.9(11) . . ? C39 C38 H38 127.0 . . ? C38 C39 C40 107.8(11) . . ? C38 C39 C54 131.1(13) . . ? C54 C39 C40 121.1(12) . . ? N16 C40 C39 108.3(10) . . ? N16 C40 C56 132.0(11) . . ? C39 C40 C56 119.5(11) . . ? N23 C41 C36 113.7(10) . . ? C48 C41 N23 110.0(10) . . ? C48 C41 C36 135.4(12) . . ? N23 C42 C43 109.4(10) . . ? N23 C42 C46 128.8(10) . . ? C46 C42 C43 121.6(10) . . ? C44 C43 C42 120.7(12) . . ? C48 C43 C42 106.4(10) . . ? C48 C43 C44 132.8(13) . . ? O19 C44 O6 117.3(13) . . ? O19 C44 C43 125.6(15) . . ? O6 C44 C43 117.0(12) . . ? O6 C45 C46 123.4(11) . . ? O6 C45 C58 115.9(11) . . ? C58 C45 C46 120.6(13) . . ? C45 C46 C42 113.6(11) . . ? C61 C46 C42 128.7(10) . . ? C61 C46 C45 117.5(11) . . ? C41 C48 C43 107.6(11) . . ? C41 C48 H48 126.2 . . ? C43 C48 H48 126.2 . . ? N5 C33 H33 117.6 . . ? N5 C33 C34 124.8(16) . . ? C34 C33 H33 117.6 . . ? C33 C34 H34 120.7 . . ? C35 C34 C33 118.6(16) . . ? C35 C34 H34 120.7 . . ? C34 C35 H35 120.5 . . ? C34 C35 C52 119.1(15) . . ? C52 C35 H35 120.5 . . ? C35 C52 H52 119.9 . . ? C35 C52 C53 120.2(16) . . ? C53 C52 H52 119.9 . . ? N5 C53 C37 113.0(10) . . ? N5 C53 C52 120.6(13) . . ? C52 C53 C37 125.5(14) . . ? O5 C54 C39 117.6(12) . . ? O57 C54 O5 114.8(13) . . ? O57 C54 C39 127.6(15) . . ? C56 C55 O5 122.8(12) . . ? C62 C55 O5 116.1(12) . . ? C62 C55 C56 121.1(13) . . ? C55 C56 C40 116.6(11) . . ? C55 C56 C65 117.5(11) . . ? C65 C56 C40 125.8(11) . . ? C45 C58 H58 120.1 . . ? C59 C58 C45 119.8(13) . . ? C59 C58 H58 120.1 . . ? C58 C59 H59 119.8 . . ? C58 C59 C60 120.4(13) . . ? C60 C59 H59 119.8 . . ? C59 C60 H60 120.1 . . ? C61 C60 C59 119.8(13) . . ? C61 C60 H60 120.1 . . ? C46 C61 H61 119.1 . . ? C60 C61 C46 121.8(11) . . ? C60 C61 H61 119.1 . . ? C55 C62 H62 119.8 . . ? C63 C62 C55 120.3(13) . . ? C63 C62 H62 119.8 . . ? C62 C63 H63 119.5 . . ? C62 C63 C64 120.9(13) . . ? C64 C63 H63 119.5 . . ? C63 C64 H64 120.5 . . ? C63 C64 C65 118.9(13) . . ? C65 C64 H64 120.5 . . ? C56 C65 H65 119.5 . . ? C64 C65 C56 121.0(12) . . ? C64 C65 H65 119.5 . . ? C67 N66 Pt3 112.0(9) . . ? C71 N66 Pt3 128.8(10) . . ? C71 N66 C67 118.6(12) . . ? N66 C67 C68 121.0(14) . . ? N66 C67 C78 113.5(12) . . ? C68 C67 C78 125.4(14) . . ? C67 C68 H68 120.3 . . ? C69 C68 C67 119.5(16) . . ? C69 C68 H68 120.3 . . ? C68 C69 H69 120.5 . . ? C68 C69 C70 118.9(16) . . ? C70 C69 H69 120.5 . . ? C69 C70 H70 119.9 . . ? C69 C70 C71 120.2(17) . . ? C71 C70 H70 119.9 . . ? N66 C71 C70 121.4(16) . . ? N66 C71 H71 119.3 . . ? C70 C71 H71 119.3 . . ? N6 C72 C73 130.2(11) . . ? N6 C72 C76 108.1(10) . . ? C76 C72 C73 121.6(11) . . ? C74 C73 C72 114.7(12) . . ? C89 C73 C72 127.5(12) . . ? C89 C73 C74 117.8(12) . . ? O7 C74 C73 122.3(12) . . ? C91 C74 O7 118.1(14) . . ? C91 C74 C73 119.5(15) . . ? O7 C75 C76 116.4(12) . . ? O10 C75 O7 115.0(13) . . ? O10 C75 C76 128.5(15) . . ? C47 C76 C75 129.1(12) . . ? C72 C76 C47 109.9(11) . . ? C72 C76 C75 120.9(12) . . ? N25 C78 C67 116.1(12) . . ? N25 C78 C81 109.2(12) . . ? C81 C78 C67 133.4(13) . . ? N25 C79 C80 108.1(12) . . ? N25 C79 C92 131.4(11) . . ? C80 C79 C92 120.5(12) . . ? C79 C80 C94 121.4(14) . . ? C81 C80 C79 107.3(13) . . ? C81 C80 C94 131.3(14) . . ? C78 C81 C80 106.6(12) . . ? C78 C81 H81 126.7 . . ? C80 C81 H81 126.7 . . ? N8 C82 C83 121.5(12) . . ? N8 C82 C87 115.3(11) . . ? C83 C82 C87 123.2(12) . . ? C82 C83 H83 120.3 . . ? C84 C83 C82 119.3(14) . . ? C84 C83 H83 120.3 . . ? C83 C84 H84 120.7 . . ? C83 C84 C85 118.6(14) . . ? C85 C84 H84 120.7 . . ? C84 C85 H85 120.3 . . ? C86 C85 C84 119.4(15) . . ? C86 C85 H85 120.3 . . ? N8 C86 C85 124.5(15) . . ? N8 C86 H86 117.7 . . ? C85 C86 H86 117.7 . . ? N6 C87 C82 114.1(10) . . ? C47 C87 N6 110.8(10) . . ? C47 C87 C82 134.3(11) . . ? C73 C89 H89 119.2 . . ? C73 C89 C90 121.7(14) . . ? C90 C89 H89 119.2 . . ? C89 C90 H90 120.9 . . ? C57 C90 C89 118.1(16) . . ? C57 C90 H90 120.9 . . ? C74 C91 H91 119.7 . . ? C74 C91 C57 120.6(16) . . ? C57 C91 H91 119.7 . . ? C93 C92 C79 116.8(13) . . ? C95 C92 C79 127.7(12) . . ? C95 C92 C93 115.5(13) . . ? O11 C93 C92 120.8(13) . . ? C98 C93 O11 116.7(14) . . ? C98 C93 C92 122.4(15) . . ? O11 C94 C80 116.7(14) . . ? O99 C94 O11 115.6(16) . . ? O99 C94 C80 127.6(18) . . ? C92 C95 H95 119.0 . . ? C96 C95 C92 122.0(14) . . ? C96 C95 H95 119.0 . . ? C95 C96 H96 120.3 . . ? C95 C96 C97 119.5(15) . . ? C97 C96 H96 120.3 . . ? C96 C97 H97 119.6 . . ? C98 C97 C96 120.8(16) . . ? C98 C97 H97 119.6 . . ? C93 C98 H98 120.2 . . ? C97 C98 C93 119.7(16) . . ? C97 C98 H98 120.2 . . ? C90 C57 C91 121.8(15) . . ? C90 C57 H57 119.1 . . ? C91 C57 H57 119.1 . . ? 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 Pt1 N3 2.041(8) . ? Pt1 N4 1.994(8) . ? Pt1 N2 2.015(8) . ? Pt1 N1 2.034(9) . ? Pt2 N21 2.052(9) . ? Pt2 N16 1.999(9) . ? Pt2 N23 1.991(8) . ? Pt2 N5 2.043(9) . ? Pt3 N25 1.996(9) . ? Pt3 N6 2.000(9) . ? Pt3 N8 2.054(10) . ? Pt3 N66 2.073(10) . ? N3 C5 1.377(14) . ? N3 C1 1.344(13) . ? N4 C9 1.371(12) . ? N4 C6 1.396(13) . ? N2 C32 1.350(12) . ? N2 C22 1.396(13) . ? N1 C21 1.374(13) . ? N1 C17 1.330(13) . ? O3 C15 1.408(14) . ? O3 C16 1.375(14) . ? O4 C16 1.217(13) . ? O2 C25 1.228(15) . ? N21 C66 1.362(14) . ? N21 C36 1.358(14) . ? N16 C37 1.393(13) . ? N16 C40 1.356(13) . ? N23 C41 1.394(13) . ? N23 C42 1.372(13) . ? O19 C44 1.218(15) . ? N25 C78 1.375(14) . ? N25 C79 1.359(14) . ? C10 C9 1.434(14) . ? C10 C15 1.380(14) . ? C10 C11 1.391(14) . ? O1 C26 1.359(15) . ? O1 C25 1.367(16) . ? O6 C44 1.366(16) . ? O6 C45 1.373(15) . ? N5 C33 1.342(15) . ? N5 C53 1.377(16) . ? O5 C54 1.364(16) . ? O5 C55 1.395(15) . ? N6 C72 1.363(14) . ? N6 C87 1.399(13) . ? O7 C74 1.376(16) . ? O7 C75 1.374(16) . ? N8 C82 1.358(15) . ? N8 C86 1.340(15) . ? C47 H47 0.9300 . ? C47 C76 1.394(16) . ? C47 C87 1.380(15) . ? O10 C75 1.212(15) . ? O11 C93 1.389(17) . ? O11 C94 1.380(18) . ? C5 C4 1.395(15) . ? C5 C6 1.427(14) . ? C4 H4 0.9300 . ? C4 C3 1.341(17) . ? C3 H3 0.9300 . ? C3 C2 1.375(19) . ? C2 H2 0.9300 . ? C2 C1 1.371(17) . ? C1 H1 0.9300 . ? C9 C8 1.408(15) . ? C8 C7 1.414(15) . ? C8 C16 1.418(15) . ? C7 H7 0.9300 . ? C7 C6 1.369(14) . ? C32 C24 1.416(15) . ? C32 C31 1.435(15) . ? C24 C23 1.416(16) . ? C24 C25 1.420(16) . ? C23 H23 0.9300 . ? C23 C22 1.357(15) . ? C22 C21 1.431(15) . ? C21 C20 1.394(15) . ? C20 H20 0.9300 . ? C20 C19 1.369(17) . ? C19 H19 0.9300 . ? C19 C18 1.392(19) . ? C18 H18 0.9300 . ? C18 C17 1.378(17) . ? C17 H17 0.9300 . ? C15 C14 1.380(15) . ? C11 H11 0.9300 . ? C11 C12 1.389(14) . ? C12 H12 0.9300 . ? C12 C13 1.384(16) . ? C13 H13 0.9300 . ? C13 C14 1.358(17) . ? C14 H14 0.9300 . ? C31 C26 1.413(14) . ? C31 C30 1.373(15) . ? C26 C27 1.399(18) . ? C30 H30 0.9300 . ? C30 C29 1.384(15) . ? C29 H29 0.9300 . ? C29 C28 1.388(17) . ? C28 H28 0.9300 . ? C28 C27 1.375(19) . ? C27 H27 0.9300 . ? C66 H66 0.9300 . ? C66 C49 1.359(19) . ? C49 H49 0.9300 . ? C49 C50 1.35(2) . ? C50 H50 0.9300 . ? C50 C51 1.367(19) . ? C51 H51 0.9300 . ? C51 C36 1.385(16) . ? C36 C41 1.440(16) . ? C37 C38 1.367(16) . ? C37 C53 1.429(16) . ? C38 H38 0.9300 . ? C38 C39 1.396(16) . ? C39 C40 1.423(16) . ? C39 C54 1.421(17) . ? C40 C56 1.435(15) . ? C41 C48 1.386(15) . ? C42 C43 1.428(16) . ? C42 C46 1.427(15) . ? C43 C44 1.404(16) . ? C43 C48 1.394(16) . ? C45 C46 1.426(15) . ? C45 C58 1.384(17) . ? C46 C61 1.375(16) . ? C48 H48 0.9300 . ? C33 H33 0.9300 . ? C33 C34 1.367(18) . ? C34 H34 0.9300 . ? C34 C35 1.36(2) . ? C35 H35 0.9300 . ? C35 C52 1.38(2) . ? C52 H52 0.9300 . ? C52 C53 1.389(17) . ? C54 O57 1.234(15) . ? C55 C56 1.386(15) . ? C55 C62 1.367(17) . ? C56 C65 1.410(15) . ? C58 H58 0.9300 . ? C58 C59 1.362(18) . ? C59 H59 0.9300 . ? C59 C60 1.398(17) . ? C60 H60 0.9300 . ? C60 C61 1.369(15) . ? C61 H61 0.9300 . ? C62 H62 0.9300 . ? C62 C63 1.364(18) . ? C63 H63 0.9300 . ? C63 C64 1.377(17) . ? C64 H64 0.9300 . ? C64 C65 1.379(15) . ? C65 H65 0.9300 . ? N66 C67 1.359(16) . ? N66 C71 1.345(16) . ? C67 C68 1.395(17) . ? C67 C78 1.411(18) . ? C68 H68 0.9300 . ? C68 C69 1.37(2) . ? C69 H69 0.9300 . ? C69 C70 1.37(2) . ? C70 H70 0.9300 . ? C70 C71 1.377(19) . ? C71 H71 0.9300 . ? C72 C73 1.436(16) . ? C72 C76 1.389(15) . ? C73 C74 1.427(17) . ? C73 C89 1.384(16) . ? C74 C91 1.359(18) . ? C75 C76 1.446(17) . ? C78 C81 1.388(17) . ? C79 C80 1.410(17) . ? C79 C92 1.420(17) . ? C80 C81 1.402(18) . ? C80 C94 1.415(19) . ? C81 H81 0.9300 . ? C82 C83 1.413(16) . ? C82 C87 1.435(16) . ? C83 H83 0.9300 . ? C83 C84 1.359(17) . ? C84 H84 0.9300 . ? C84 C85 1.382(19) . ? C85 H85 0.9300 . ? C85 C86 1.349(18) . ? C86 H86 0.9300 . ? C89 H89 0.9300 . ? C89 C90 1.400(17) . ? C90 H90 0.9300 . ? C90 C57 1.36(2) . ? C91 H91 0.9300 . ? C91 C57 1.38(2) . ? C92 C93 1.417(17) . ? C92 C95 1.394(17) . ? C93 C98 1.374(19) . ? C94 O99 1.211(17) . ? C95 H95 0.9300 . ? C95 C96 1.383(17) . ? C96 H96 0.9300 . ? C96 C97 1.384(19) . ? C97 H97 0.9300 . ? C97 C98 1.35(2) . ? C98 H98 0.9300 . ? C57 H57 0.9300 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Pt1 N3 C5 C4 169.0(9) . . . . ? Pt1 N3 C5 C6 -18.2(12) . . . . ? Pt1 N3 C1 C2 -167.9(9) . . . . ? Pt1 N4 C9 C10 -18.4(17) . . . . ? Pt1 N4 C9 C8 160.8(8) . . . . ? Pt1 N4 C6 C5 21.1(11) . . . . ? Pt1 N4 C6 C7 -166.8(7) . . . . ? Pt1 N2 C32 C24 163.0(9) . . . . ? Pt1 N2 C32 C31 -21.0(19) . . . . ? Pt1 N2 C22 C23 -166.1(8) . . . . ? Pt1 N2 C22 C21 22.7(11) . . . . ? Pt1 N1 C21 C22 -21.3(11) . . . . ? Pt1 N1 C21 C20 163.3(9) . . . . ? Pt1 N1 C17 C18 -164.9(10) . . . . ? Pt2 N21 C66 C49 -165.4(10) . . . . ? Pt2 N21 C36 C51 167.0(9) . . . . ? Pt2 N21 C36 C41 -23.4(12) . . . . ? Pt2 N16 C37 C38 -168.7(7) . . . . ? Pt2 N16 C37 C53 19.9(11) . . . . ? Pt2 N16 C40 C39 165.9(8) . . . . ? Pt2 N16 C40 C56 -20.2(19) . . . . ? Pt2 N23 C41 C36 21.7(11) . . . . ? Pt2 N23 C41 C48 -167.8(8) . . . . ? Pt2 N23 C42 C43 165.7(9) . . . . ? Pt2 N23 C42 C46 -20.8(19) . . . . ? Pt2 N5 C33 C34 -167.8(11) . . . . ? Pt2 N5 C53 C37 -18.6(12) . . . . ? Pt2 N5 C53 C52 171.8(10) . . . . ? Pt3 N25 C78 C67 21.2(13) . . . . ? Pt3 N25 C78 C81 -170.3(8) . . . . ? Pt3 N25 C79 C80 167.6(9) . . . . ? Pt3 N25 C79 C92 -15(2) . . . . ? Pt3 N6 C72 C73 -19(2) . . . . ? Pt3 N6 C72 C76 161.9(9) . . . . ? Pt3 N6 C87 C47 -166.8(7) . . . . ? Pt3 N6 C87 C82 21.8(11) . . . . ? Pt3 N8 C82 C83 166.0(8) . . . . ? Pt3 N8 C82 C87 -16.0(12) . . . . ? Pt3 N8 C86 C85 -162.7(10) . . . . ? Pt3 N66 C67 C68 164.6(10) . . . . ? Pt3 N66 C67 C78 -20.2(13) . . . . ? Pt3 N66 C71 C70 -164.6(11) . . . . ? N3 C5 C4 C3 0.9(18) . . . . ? N3 C5 C6 N4 -1.6(14) . . . . ? N3 C5 C6 C7 -171.7(11) . . . . ? N4 C9 C8 C7 7.2(11) . . . . ? N4 C9 C8 C16 -172.1(10) . . . . ? N2 C32 C24 C23 2.0(13) . . . . ? N2 C32 C24 C25 -174.6(11) . . . . ? N2 C32 C31 C26 176.5(10) . . . . ? N2 C32 C31 C30 -5.9(19) . . . . ? N2 C22 C21 N1 -0.7(14) . . . . ? N2 C22 C21 C20 174.5(10) . . . . ? N1 C21 C20 C19 6.3(18) . . . . ? O3 C15 C14 C13 176.4(11) . . . . ? N21 C66 C49 C50 1(2) . . . . ? N21 C36 C41 N23 1.7(14) . . . . ? N21 C36 C41 C48 -165.6(13) . . . . ? N16 C37 C38 C39 -2.9(13) . . . . ? N16 C37 C53 N5 -0.6(14) . . . . ? N16 C37 C53 C52 168.4(12) . . . . ? N16 C40 C56 C55 178.8(11) . . . . ? N16 C40 C56 C65 -2.5(18) . . . . ? N23 C41 C48 C43 -4.1(14) . . . . ? N23 C42 C43 C44 -174.3(11) . . . . ? N23 C42 C43 C48 1.5(13) . . . . ? N23 C42 C46 C45 -179.1(10) . . . . ? N23 C42 C46 C61 -5(2) . . . . ? N25 C78 C81 C80 -2.1(15) . . . . ? N25 C79 C80 C81 4.1(14) . . . . ? N25 C79 C80 C94 -176.4(12) . . . . ? N25 C79 C92 C93 174.4(12) . . . . ? N25 C79 C92 C95 -6(2) . . . . ? C10 C9 C8 C7 -173.5(9) . . . . ? C10 C9 C8 C16 7.1(16) . . . . ? C10 C15 C14 C13 -2.8(18) . . . . ? C10 C11 C12 C13 0.2(17) . . . . ? O1 C26 C27 C28 -178.8(11) . . . . ? O6 C45 C46 C42 -2.8(17) . . . . ? O6 C45 C46 C61 -177.6(11) . . . . ? O6 C45 C58 C59 177.3(12) . . . . ? N5 C33 C34 C35 -2(2) . . . . ? O5 C55 C56 C40 4.3(16) . . . . ? O5 C55 C56 C65 -174.5(10) . . . . ? O5 C55 C62 C63 177.6(12) . . . . ? N6 C72 C73 C74 169.5(11) . . . . ? N6 C72 C73 C89 -13(2) . . . . ? N6 C72 C76 C47 2.9(13) . . . . ? N6 C72 C76 C75 -172.6(10) . . . . ? O7 C74 C91 C57 174.3(13) . . . . ? O7 C75 C76 C47 -172.8(11) . . . . ? O7 C75 C76 C72 1.8(18) . . . . ? N8 C82 C83 C84 1.8(17) . . . . ? N8 C82 C87 N6 -3.5(14) . . . . ? N8 C82 C87 C47 -172.1(12) . . . . ? O10 C75 C76 C47 5(2) . . . . ? O10 C75 C76 C72 179.3(14) . . . . ? O11 C93 C98 C97 178.4(13) . . . . ? C5 N3 C1 C2 6.0(17) . . . . ? C5 C4 C3 C2 4(2) . . . . ? C4 C5 C6 N4 170.6(11) . . . . ? C4 C5 C6 C7 1(2) . . . . ? C4 C3 C2 C1 -4(2) . . . . ? C3 C2 C1 N3 -1(2) . . . . ? C1 N3 C5 C4 -5.9(16) . . . . ? C1 N3 C5 C6 166.9(10) . . . . ? C9 N4 C6 C5 -166.8(9) . . . . ? C9 N4 C6 C7 5.4(11) . . . . ? C9 C10 C15 O3 2.6(15) . . . . ? C9 C10 C15 C14 -178.3(10) . . . . ? C9 C10 C11 C12 -179.9(10) . . . . ? C9 C8 C7 C6 -3.7(12) . . . . ? C9 C8 C16 O3 4.3(16) . . . . ? C9 C8 C16 O4 179.6(12) . . . . ? C8 C7 C6 N4 -1.0(12) . . . . ? C8 C7 C6 C5 169.4(12) . . . . ? C7 C8 C16 O3 -174.9(11) . . . . ? C7 C8 C16 O4 0(2) . . . . ? C6 N4 C9 C10 173.3(10) . . . . ? C6 N4 C9 C8 -7.6(10) . . . . ? C6 C5 C4 C3 -170.8(12) . . . . ? C32 N2 C22 C23 5.4(12) . . . . ? C32 N2 C22 C21 -165.8(9) . . . . ? C32 C24 C23 C22 1.3(13) . . . . ? C32 C24 C25 O2 175.3(13) . . . . ? C32 C24 C25 O1 -2.5(18) . . . . ? C32 C31 C26 O1 1.1(16) . . . . ? C32 C31 C26 C27 -178.5(11) . . . . ? C32 C31 C30 C29 177.3(11) . . . . ? C24 C32 C31 C26 -7.8(15) . . . . ? C24 C32 C31 C30 169.8(11) . . . . ? C24 C23 C22 N2 -4.1(13) . . . . ? C24 C23 C22 C21 164.8(12) . . . . ? C23 C24 C25 O2 0(2) . . . . ? C23 C24 C25 O1 -178.3(12) . . . . ? C23 C22 C21 N1 -169.5(12) . . . . ? C23 C22 C21 C20 6(2) . . . . ? C22 N2 C32 C24 -4.3(11) . . . . ? C22 N2 C32 C31 171.7(11) . . . . ? C22 C21 C20 C19 -168.7(12) . . . . ? C21 N1 C17 C18 6.8(17) . . . . ? C21 C20 C19 C18 1(2) . . . . ? C20 C19 C18 C17 -4(2) . . . . ? C19 C18 C17 N1 0(2) . . . . ? C17 N1 C21 C22 165.4(10) . . . . ? C17 N1 C21 C20 -10.0(15) . . . . ? C15 O3 C16 O4 171.8(11) . . . . ? C15 O3 C16 C8 -12.4(15) . . . . ? C15 C10 C9 N4 168.7(9) . . . . ? C15 C10 C9 C8 -10.3(14) . . . . ? C15 C10 C11 C12 -3.7(16) . . . . ? C16 O3 C15 C10 9.3(16) . . . . ? C16 O3 C15 C14 -170.0(10) . . . . ? C16 C8 C7 C6 175.6(12) . . . . ? C11 C10 C9 N4 -15.0(17) . . . . ? C11 C10 C9 C8 165.9(10) . . . . ? C11 C10 C15 O3 -174.0(9) . . . . ? C11 C10 C15 C14 5.1(17) . . . . ? C11 C12 C13 C14 2.3(19) . . . . ? C12 C13 C14 C15 -1.1(19) . . . . ? C31 C32 C24 C23 -174.5(10) . . . . ? C31 C32 C24 C25 8.8(17) . . . . ? C31 C26 C27 C28 0.8(19) . . . . ? C31 C30 C29 C28 2.2(17) . . . . ? C26 O1 C25 O2 177.5(12) . . . . ? C26 O1 C25 C24 -4.6(18) . . . . ? C26 C31 C30 C29 -5.2(17) . . . . ? C25 O1 C26 C31 5.4(18) . . . . ? C25 O1 C26 C27 -175.0(11) . . . . ? C25 C24 C23 C22 177.5(13) . . . . ? C30 C31 C26 O1 -176.7(11) . . . . ? C30 C31 C26 C27 3.7(17) . . . . ? C30 C29 C28 C27 2.6(18) . . . . ? C29 C28 C27 C26 -4(2) . . . . ? C66 N21 C36 C51 -3.5(17) . . . . ? C66 N21 C36 C41 166.1(10) . . . . ? C66 C49 C50 C51 -4(2) . . . . ? C49 C50 C51 C36 4(2) . . . . ? C50 C51 C36 N21 0.2(19) . . . . ? C50 C51 C36 C41 -168.4(12) . . . . ? C51 C36 C41 N23 171.1(11) . . . . ? C51 C36 C41 C48 4(2) . . . . ? C36 N21 C66 C49 3.0(18) . . . . ? C36 C41 C48 C43 163.5(13) . . . . ? C37 N16 C40 C39 -4.4(11) . . . . ? C37 N16 C40 C56 169.5(11) . . . . ? C37 C38 C39 C40 0.0(13) . . . . ? C37 C38 C39 C54 -177.5(12) . . . . ? C38 C37 C53 N5 -169.7(12) . . . . ? C38 C37 C53 C52 -1(2) . . . . ? C38 C39 C40 N16 2.8(13) . . . . ? C38 C39 C40 C56 -172.0(10) . . . . ? C38 C39 C54 O5 177.3(12) . . . . ? C38 C39 C54 O57 -3(2) . . . . ? C39 C40 C56 C55 -7.8(15) . . . . ? C39 C40 C56 C65 170.8(10) . . . . ? C40 N16 C37 C38 4.6(12) . . . . ? C40 N16 C37 C53 -166.8(9) . . . . ? C40 C39 C54 O5 0.0(17) . . . . ? C40 C39 C54 O57 179.2(12) . . . . ? C40 C56 C65 C64 177.8(10) . . . . ? C41 N23 C42 C43 -3.9(12) . . . . ? C41 N23 C42 C46 169.6(11) . . . . ? C42 N23 C41 C36 -165.5(9) . . . . ? C42 N23 C41 C48 5.0(12) . . . . ? C42 C43 C44 O19 173.9(15) . . . . ? C42 C43 C44 O6 -7(2) . . . . ? C42 C43 C48 C41 1.6(14) . . . . ? C42 C46 C61 C60 -173.4(11) . . . . ? C43 C42 C46 C45 -6.2(16) . . . . ? C43 C42 C46 C61 167.9(12) . . . . ? C44 O6 C45 C46 7.0(19) . . . . ? C44 O6 C45 C58 -169.6(13) . . . . ? C44 C43 C48 C41 176.6(14) . . . . ? C45 O6 C44 O19 177.2(13) . . . . ? C45 O6 C44 C43 -2(2) . . . . ? C45 C46 C61 C60 0.6(17) . . . . ? C45 C58 C59 C60 1(2) . . . . ? C46 C42 C43 C44 11.6(18) . . . . ? C46 C42 C43 C48 -172.6(10) . . . . ? C46 C45 C58 C59 1(2) . . . . ? C48 C43 C44 O19 -1(3) . . . . ? C48 C43 C44 O6 178.2(13) . . . . ? C33 N5 C53 C37 167.5(10) . . . . ? C33 N5 C53 C52 -2.0(17) . . . . ? C33 C34 C35 C52 -4(3) . . . . ? C34 C35 C52 C53 6(2) . . . . ? C35 C52 C53 N5 -3(2) . . . . ? C35 C52 C53 C37 -171.4(13) . . . . ? C53 N5 C33 C34 5(2) . . . . ? C53 C37 C38 C39 166.6(12) . . . . ? C54 O5 C55 C56 1.6(17) . . . . ? C54 O5 C55 C62 -177.9(11) . . . . ? C54 C39 C40 N16 -179.3(10) . . . . ? C54 C39 C40 C56 5.9(16) . . . . ? C55 O5 C54 C39 -3.8(17) . . . . ? C55 O5 C54 O57 176.9(11) . . . . ? C55 C56 C65 C64 -3.6(16) . . . . ? C55 C62 C63 C64 -3(2) . . . . ? C56 C55 C62 C63 -2(2) . . . . ? C58 C45 C46 C42 173.7(11) . . . . ? C58 C45 C46 C61 -1.1(18) . . . . ? C58 C59 C60 C61 -1.2(19) . . . . ? C59 C60 C61 C46 0.6(18) . . . . ? C62 C55 C56 C40 -176.2(11) . . . . ? C62 C55 C56 C65 5.1(17) . . . . ? C62 C63 C64 C65 4(2) . . . . ? C63 C64 C65 C56 -1.0(18) . . . . ? N66 C67 C68 C69 3(2) . . . . ? N66 C67 C78 N25 -0.1(16) . . . . ? N66 C67 C78 C81 -165.0(14) . . . . ? C67 N66 C71 C70 5.3(19) . . . . ? C67 C68 C69 C70 2(2) . . . . ? C67 C78 C81 C80 163.6(14) . . . . ? C68 C67 C78 N25 174.9(12) . . . . ? C68 C67 C78 C81 10(2) . . . . ? C68 C69 C70 C71 -4(3) . . . . ? C69 C70 C71 N66 0(2) . . . . ? C71 N66 C67 C68 -6.9(18) . . . . ? C71 N66 C67 C78 168.3(11) . . . . ? C72 N6 C87 C47 3.2(12) . . . . ? C72 N6 C87 C82 -168.2(9) . . . . ? C72 C73 C74 O7 5.3(17) . . . . ? C72 C73 C74 C91 -175.3(12) . . . . ? C72 C73 C89 C90 178.8(12) . . . . ? C73 C72 C76 C47 -176.5(10) . . . . ? C73 C72 C76 C75 7.9(17) . . . . ? C73 C74 C91 C57 -5(2) . . . . ? C73 C89 C90 C57 -1(2) . . . . ? C74 O7 C75 O10 174.2(12) . . . . ? C74 O7 C75 C76 -7.9(18) . . . . ? C74 C73 C89 C90 -4.0(18) . . . . ? C74 C91 C57 C90 0(3) . . . . ? C75 O7 C74 C73 4.3(19) . . . . ? C75 O7 C74 C91 -175.1(13) . . . . ? C76 C47 C87 N6 -1.4(12) . . . . ? C76 C47 C87 C82 167.6(12) . . . . ? C76 C72 C73 C74 -11.2(16) . . . . ? C76 C72 C73 C89 166.2(11) . . . . ? C78 N25 C79 C80 -5.4(13) . . . . ? C78 N25 C79 C92 171.7(12) . . . . ? C78 C67 C68 C69 -171.3(14) . . . . ? C79 N25 C78 C67 -163.7(10) . . . . ? C79 N25 C78 C81 4.7(14) . . . . ? C79 C80 C81 C78 -1.2(15) . . . . ? C79 C80 C94 O11 1(2) . . . . ? C79 C80 C94 O99 177.4(16) . . . . ? C79 C92 C93 O11 4.7(18) . . . . ? C79 C92 C93 C98 -178.3(13) . . . . ? C79 C92 C95 C96 177.5(12) . . . . ? C80 C79 C92 C93 -8.8(17) . . . . ? C80 C79 C92 C95 170.6(12) . . . . ? C81 C80 C94 O11 -179.6(14) . . . . ? C81 C80 C94 O99 -3(3) . . . . ? C82 N8 C86 C85 7.4(19) . . . . ? C82 C83 C84 C85 1.3(19) . . . . ? C83 C82 C87 N6 174.5(10) . . . . ? C83 C82 C87 C47 6(2) . . . . ? C83 C84 C85 C86 0(2) . . . . ? C84 C85 C86 N8 -4(2) . . . . ? C86 N8 C82 C83 -5.9(16) . . . . ? C86 N8 C82 C87 172.0(10) . . . . ? C87 N6 C72 C73 175.7(11) . . . . ? C87 N6 C72 C76 -3.6(12) . . . . ? C87 C47 C76 C72 -0.9(13) . . . . ? C87 C47 C76 C75 174.2(12) . . . . ? C87 C82 C83 C84 -176.0(11) . . . . ? C89 C73 C74 O7 -172.3(11) . . . . ? C89 C73 C74 C91 7.1(18) . . . . ? C89 C90 C57 C91 3(2) . . . . ? C92 C79 C80 C81 -173.4(11) . . . . ? C92 C79 C80 C94 6.1(19) . . . . ? C92 C93 C98 C97 1(2) . . . . ? C92 C95 C96 C97 0.6(19) . . . . ? C93 O11 C94 C80 -5(2) . . . . ? C93 O11 C94 O99 177.9(14) . . . . ? C93 C92 C95 C96 -3.1(17) . . . . ? C94 O11 C93 C92 2(2) . . . . ? C94 O11 C93 C98 -174.7(14) . . . . ? C94 C80 C81 C78 179.4(15) . . . . ? C95 C92 C93 O11 -174.8(11) . . . . ? C95 C92 C93 C98 2.2(19) . . . . ? C95 C96 C97 C98 3(2) . . . . ? C96 C97 C98 C93 -4(2) . . . . ? loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons _smtbx_masks_void_content 1 0.000 -0.760 0.000 746.1 214.5 '12 methanol'