#------------------------------------------------------------------------------ #$Date: 2019-11-10 07:54:14 +0200 (Sun, 10 Nov 2019) $ #$Revision: 225918 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515813.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_4515813 loop_ _publ_author_name 'Messinis, Antonis M.' 'Batsanov, Andrei S.' 'Wright, William R. H.' 'Howard, Judith A. K.' 'Hanton, Martin J.' 'Dyer, Philip W.' _publ_section_title ; Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene ; _journal_issue 12 _journal_name_full 'ACS Catalysis' _journal_page_first 11249 _journal_paper_doi 10.1021/acscatal.8b02202 _journal_volume 8 _journal_year 2018 _chemical_formula_moiety 'C40 H44 Cl2 N2 O2 W' _chemical_formula_sum 'C40 H44 Cl2 N2 O2 W' _chemical_formula_weight 839.52 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary heavy _atom_sites_solution_secondary difmap _audit_creation_date 2017-11-09 _audit_creation_method ; Olex2 1.2-beta (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _cell_angle_alpha 90 _cell_angle_beta 103.618(11) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.2309(9) _cell_length_b 10.3469(7) _cell_length_c 22.3012(13) _cell_measurement_reflns_used 9891 _cell_measurement_temperature 120 _cell_measurement_theta_max 29.74 _cell_measurement_theta_min 2.18 _cell_volume 3640.0(4) _computing_cell_refinement 'SAINT v7.46A (Bruker, 2008)' _computing_data_collection 'SMART v5.630 (Bruker, 2003)' _computing_data_reduction 'SAINT v7.46A (Bruker, 2008)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL 2016/6 (Sheldrick, 2015)' _computing_structure_solution 'SHELXS (Sheldrick, 2008)' _diffrn_ambient_temperature 120 _diffrn_detector 'CCD area detector' _diffrn_detector_area_resol_mean 5.6 _diffrn_detector_type 'Bruker SMART CCD 6000 area detector' _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device 'three-circle diffractometer' _diffrn_measurement_device_type 'Bruker SMART CCD 6000 area detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_xray_symbol K-L~3~ _diffrn_reflns_av_R_equivalents 0.0674 _diffrn_reflns_av_unetI/netI 0.0455 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_number 73384 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.998 _diffrn_reflns_theta_min 1.406 _diffrn_source 'sealed X-ray tube' _diffrn_source_current 40.0 _diffrn_source_power 2.0 _diffrn_source_target Mo _diffrn_source_voltage 50.0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 3.357 _exptl_absorpt_correction_T_max 0.8808 _exptl_absorpt_correction_T_min 0.6720 _exptl_absorpt_correction_type integration _exptl_absorpt_process_details ; SADABS-2008/1 (Bruker,2008) was used for absorption correction. The Ratio of minimum to maximum transmission is 0.7629. The \l/2 correction factor is 0.0015. ; _exptl_crystal_colour orange _exptl_crystal_colour_primary orange _exptl_crystal_density_diffrn 1.532 _exptl_crystal_density_method 'not measured' _exptl_crystal_description pyramid _exptl_crystal_F_000 1688 _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.05 _refine_diff_density_max 1.460 _refine_diff_density_min -1.045 _refine_diff_density_rms 0.108 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.936 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 436 _refine_ls_number_reflns 10613 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.936 _refine_ls_R_factor_all 0.0474 _refine_ls_R_factor_gt 0.0280 _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^)+(0.0280P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0533 _refine_ls_wR_factor_ref 0.0582 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7973 _reflns_number_total 10613 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file W-bisimido.cif _cod_data_source_block 17_12srv010 _cod_database_code 4515813 _shelx_shelxl_version_number 2016/6 _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 0.850 _shelx_estimated_absorpt_t_min 0.669 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups 2. Others Uiso(H1A)=Uiso(H1B)=Uiso(H1C)=FVAR(1) Uiso(H4A)=Uiso(H4B)=Uiso(H4C)=FVAR(2) Uiso(H36A)=Uiso(H36B)=Uiso(H36C)=FVAR(3) Uiso(H37A)=Uiso(H37B)=Uiso(H37C)=FVAR(4) Uiso(H39A)=Uiso(H39B)=Uiso(H39C)=FVAR(5) Uiso(H40A)=Uiso(H40B)=Uiso(H40C)=FVAR(6) 3.a Rotating group: C1(H1A,H1B,H1C), C4(H4A,H4B,H4C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C) 3.b Ternary CH refined with riding coordinates: C35(H35), C38(H38) 3.c Secondary CH2 refined with riding coordinates: C2(H2A,H2B), C3(H3A,H3B) 3.d Aromatic/amide H refined with riding coordinates: C7(H7), C9(H9), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33) ; _shelx_res_file ; TITL 12srv010 in P2(1)/n 12srv010.res created by SHELXL-2016/6 at 14:38:42 on 09-Nov-2017 REM reset to P21/n #14 CELL 0.71073 16.2309 10.3469 22.3012 90 103.618 90 ZERR 4 0.0009 0.0007 0.0013 0 0.011 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H Cl N O W UNIT 160 176 8 8 8 4 L.S. 7 PLAN 7 SIZE 0.05 0.07 0.13 TEMP -153 BOND fmap 2 acta OMIT -3 60 REM REM REM WGHT 0.028000 FVAR 0.17176 0.04760 0.05979 0.07337 0.06231 0.05102 0.07239 W 6 0.493852 0.178089 0.346866 11.00000 0.02571 0.01481 = 0.01501 0.00094 0.00543 0.00005 CL1 3 0.436627 0.036234 0.264068 11.00000 0.04163 0.02133 = 0.01934 -0.00266 0.00393 -0.00356 CL2 3 0.525791 0.244729 0.451730 11.00000 0.03666 0.02298 = 0.01609 -0.00091 0.00644 -0.00138 O1 5 0.372187 0.109976 0.377960 11.00000 0.03492 0.02867 = 0.02580 0.00203 0.01055 -0.00815 O2 5 0.517566 -0.025706 0.394896 11.00000 0.04917 0.01648 = 0.02520 0.00284 0.00325 -0.00104 N1 4 0.445566 0.320531 0.310796 11.00000 0.02274 0.01576 = 0.01704 -0.00243 0.00495 -0.00269 N2 4 0.597208 0.187298 0.336283 11.00000 0.02951 0.02094 = 0.01539 -0.00192 0.00426 0.00411 C1 1 0.317076 0.203746 0.395032 11.00000 0.03180 0.04883 = 0.04217 -0.00273 0.01664 -0.00770 AFIX 7 H1A 2 0.310735 0.277425 0.366711 11.00000 21.00000 H1B 2 0.341297 0.233337 0.437261 11.00000 21.00000 H1C 2 0.261417 0.164676 0.392842 11.00000 21.00000 AFIX 0 C2 1 0.384094 0.000613 0.418900 11.00000 0.05126 0.03917 = 0.02907 0.00867 0.01235 -0.01853 AFIX 23 H2A 2 0.328782 -0.040150 0.418494 11.00000 -1.20000 H2B 2 0.410241 0.028608 0.461589 11.00000 -1.20000 AFIX 0 C3 1 0.440568 -0.093522 0.397398 11.00000 0.06553 0.02209 = 0.02624 0.00910 0.00316 -0.01400 AFIX 23 H3A 2 0.453557 -0.167285 0.426364 11.00000 -1.20000 H3B 2 0.412548 -0.127102 0.356058 11.00000 -1.20000 AFIX 0 C4 1 0.576981 -0.110971 0.376188 11.00000 0.06255 0.01938 = 0.04930 0.00017 0.00376 0.01207 AFIX 7 H4A 2 0.627551 -0.062081 0.373158 11.00000 31.00000 H4B 2 0.550741 -0.148750 0.335918 11.00000 31.00000 H4C 2 0.593101 -0.180071 0.406748 11.00000 31.00000 AFIX 0 C5 1 0.441531 0.420618 0.268426 11.00000 0.01719 0.01672 = 0.01688 0.00081 0.00453 0.00133 C6 1 0.384341 0.407350 0.210273 11.00000 0.01720 0.01747 = 0.01997 -0.00002 0.00396 -0.00141 C7 1 0.387529 0.495423 0.164075 11.00000 0.01753 0.01997 = 0.01949 -0.00150 0.00221 -0.00137 AFIX 43 H7 2 0.351310 0.483035 0.124323 11.00000 -1.20000 AFIX 0 C8 1 0.441909 0.601456 0.173806 11.00000 0.02116 0.01847 = 0.01865 0.00175 0.00659 0.00007 C9 1 0.495399 0.616161 0.232455 11.00000 0.02067 0.01689 = 0.02156 0.00052 0.00578 -0.00194 AFIX 43 H9 2 0.531696 0.689342 0.240304 11.00000 -1.20000 AFIX 0 C10 1 0.497537 0.527312 0.280008 11.00000 0.01879 0.01555 = 0.01739 -0.00122 0.00455 0.00075 C11 1 0.321730 0.299592 0.196295 11.00000 0.01808 0.02035 = 0.01928 0.00607 -0.00023 -0.00250 C12 1 0.259657 0.284878 0.229691 11.00000 0.02460 0.02665 = 0.03083 0.00035 0.00694 -0.00380 AFIX 43 H12 2 0.257106 0.343612 0.261946 11.00000 -1.20000 AFIX 0 C13 1 0.201782 0.184671 0.215815 11.00000 0.02507 0.03332 = 0.04068 0.00576 0.00987 -0.00515 AFIX 43 H13 2 0.159882 0.174446 0.238863 11.00000 -1.20000 AFIX 0 C14 1 0.204592 0.099461 0.168660 11.00000 0.02541 0.02716 = 0.03526 0.00683 -0.00354 -0.01110 AFIX 43 H14 2 0.164961 0.030495 0.159646 11.00000 -1.20000 AFIX 0 C15 1 0.264493 0.114130 0.134769 11.00000 0.03171 0.02925 = 0.02649 -0.00208 -0.00067 -0.01057 AFIX 43 H15 2 0.265896 0.056344 0.101920 11.00000 -1.20000 AFIX 0 C16 1 0.323309 0.214543 0.148920 11.00000 0.02602 0.02845 = 0.02302 -0.00110 0.00362 -0.00845 AFIX 43 H16 2 0.364960 0.224455 0.125635 11.00000 -1.20000 AFIX 0 C17 1 0.441535 0.693017 0.122572 11.00000 0.02031 0.02337 = 0.01794 0.00198 0.00077 -0.00549 C18 1 0.443570 0.647088 0.064241 11.00000 0.03126 0.02875 = 0.02124 -0.00310 0.00480 -0.00931 AFIX 43 H18 2 0.447797 0.556785 0.057872 11.00000 -1.20000 AFIX 0 C19 1 0.439481 0.731939 0.015089 11.00000 0.04552 0.04877 = 0.01891 0.00045 0.00458 -0.01943 AFIX 43 H19 2 0.441149 0.699047 -0.024379 11.00000 -1.20000 AFIX 0 C20 1 0.433096 0.862007 0.023269 11.00000 0.04847 0.03653 = 0.02988 0.01483 0.00023 -0.01776 AFIX 43 H20 2 0.429651 0.919422 -0.010474 11.00000 -1.20000 AFIX 0 C21 1 0.431681 0.909373 0.080525 11.00000 0.04270 0.02104 = 0.04003 0.00777 0.00147 -0.00675 AFIX 43 H21 2 0.427681 0.999934 0.086261 11.00000 -1.20000 AFIX 0 C22 1 0.436035 0.826343 0.130248 11.00000 0.03497 0.02247 = 0.02251 -0.00057 0.00263 -0.00480 AFIX 43 H22 2 0.435260 0.860593 0.169635 11.00000 -1.20000 AFIX 0 C23 1 0.560695 0.546709 0.339836 11.00000 0.02120 0.01540 = 0.01863 -0.00055 0.00335 0.00163 C24 1 0.537811 0.540690 0.396239 11.00000 0.02242 0.01833 = 0.02244 -0.00009 0.00641 0.00015 AFIX 43 H24 2 0.481050 0.519920 0.396993 11.00000 -1.20000 AFIX 0 C25 1 0.596664 0.564575 0.451410 11.00000 0.03235 0.02220 = 0.01758 -0.00023 0.00656 0.00109 AFIX 43 H25 2 0.579815 0.561084 0.489388 11.00000 -1.20000 AFIX 0 C26 1 0.679348 0.593280 0.450983 11.00000 0.02921 0.02778 = 0.02114 -0.00170 -0.00278 0.00334 AFIX 43 H26 2 0.719629 0.610017 0.488586 11.00000 -1.20000 AFIX 0 C27 1 0.703554 0.597640 0.395312 11.00000 0.01877 0.04086 = 0.02849 -0.00026 0.00236 0.00088 AFIX 43 H27 2 0.760759 0.616149 0.394938 11.00000 -1.20000 AFIX 0 C28 1 0.644529 0.575067 0.340121 11.00000 0.02455 0.02849 = 0.02094 -0.00187 0.00606 0.00140 AFIX 43 H28 2 0.661620 0.579049 0.302245 11.00000 -1.20000 AFIX 0 C29 1 0.675704 0.222496 0.326249 11.00000 0.02406 0.02183 = 0.02651 -0.00604 0.00513 0.00525 C30 1 0.747513 0.211225 0.376039 11.00000 0.02787 0.04545 = 0.03348 -0.01233 -0.00210 0.01237 C31 1 0.824056 0.254368 0.366332 11.00000 0.02501 0.07444 = 0.05361 -0.02698 -0.00251 0.00908 AFIX 43 H31 2 0.873354 0.249338 0.399136 11.00000 -1.20000 AFIX 0 C32 1 0.830654 0.303817 0.311069 11.00000 0.02858 0.05587 = 0.07813 -0.02663 0.02181 -0.00652 AFIX 43 H32 2 0.884021 0.333926 0.306266 11.00000 -1.20000 AFIX 0 C33 1 0.760867 0.310777 0.261958 11.00000 0.03507 0.03834 = 0.05369 -0.00768 0.02489 -0.00044 AFIX 43 H33 2 0.766859 0.344281 0.223551 11.00000 -1.20000 AFIX 0 C34 1 0.681952 0.269243 0.268171 11.00000 0.02673 0.02416 = 0.03029 -0.00287 0.01013 0.00449 C35 1 0.740959 0.157369 0.438162 11.00000 0.04625 0.05767 = 0.02652 -0.00627 -0.00610 0.02862 AFIX 13 H35 2 0.680826 0.130257 0.434433 11.00000 -1.20000 AFIX 0 C36 1 0.796473 0.038793 0.455621 11.00000 0.06449 0.07581 = 0.05408 0.00405 0.00479 0.04282 AFIX 7 H36A 2 0.856083 0.062824 0.460424 11.00000 41.00000 H36B 2 0.780805 -0.026525 0.423120 11.00000 41.00000 H36C 2 0.788380 0.003449 0.494610 11.00000 41.00000 AFIX 0 C37 1 0.762032 0.258597 0.488099 11.00000 0.09397 0.07480 = 0.03284 -0.01077 -0.00307 0.02047 AFIX 7 H37A 2 0.722001 0.330657 0.477880 11.00000 51.00000 H37B 2 0.819812 0.290248 0.491269 11.00000 51.00000 H37C 2 0.758053 0.220677 0.527570 11.00000 51.00000 AFIX 0 C38 1 0.605727 0.269149 0.214145 11.00000 0.02974 0.05611 = 0.02253 0.00334 0.01254 0.01002 AFIX 13 H38 2 0.554861 0.289676 0.230436 11.00000 -1.20000 AFIX 0 C39 1 0.593120 0.134387 0.186076 11.00000 0.04063 0.08379 = 0.03285 -0.02291 0.01255 -0.01701 AFIX 7 H39A 2 0.584709 0.072547 0.217375 11.00000 61.00000 H39B 2 0.643370 0.109797 0.171496 11.00000 61.00000 H39C 2 0.543250 0.134008 0.151325 11.00000 61.00000 AFIX 0 C40 1 0.610144 0.368638 0.165074 11.00000 0.07396 0.08268 = 0.03597 0.02168 0.03137 0.03748 AFIX 7 H40A 2 0.653164 0.342458 0.143174 11.00000 71.00000 H40B 2 0.625334 0.452908 0.184614 11.00000 71.00000 H40C 2 0.554884 0.374819 0.135744 11.00000 71.00000 AFIX 0 HKLF 4 REM 12srv010 in P2(1)/n REM R1 = 0.0280 for 7973 Fo > 4sig(Fo) and 0.0474 for all 10613 data REM 436 parameters refined using 0 restraints END WGHT 0.0276 0.0000 REM Highest difference peak 1.460, deepest hole -1.045, 1-sigma level 0.108 Q1 1 0.5416 0.1711 0.3629 11.00000 0.05 1.46 Q2 1 0.4782 0.8215 0.0379 11.00000 0.05 1.07 Q3 1 0.4601 0.2476 0.3151 11.00000 0.05 0.81 Q4 1 0.4903 0.2613 0.3529 11.00000 0.05 0.72 Q5 1 0.5107 0.1024 0.3532 11.00000 0.05 0.67 Q6 1 0.4636 0.1018 0.3384 11.00000 0.05 0.65 Q7 1 0.5169 0.1669 0.3115 11.00000 0.05 0.54 ; _shelx_res_checksum 53984 _shelx_hkl_file ; 0 0 -1 -0.11 0.49 0 0 -1 0.74 0.85 0 0 -1 0.10 0.48 0 0 1 0.33 0.70 0 0 1 0.03 0.21 0 0 1 -0.43 0.75 0 0 -2 1995.00 31.30 0 0 -2 1997.30 40.00 0 0 -2 1980.50 38.40 0 0 -2 1846.10 18.30 0 0 2 2079.40 34.90 0 0 2 2015.90 39.90 0 0 2 1963.00 41.10 0 0 -3 -0.94 2.69 0 0 -3 0.87 1.98 0 0 -3 0.28 2.59 0 0 -3 -3.45 2.67 0 0 3 2.32 3.02 0 0 3 0.57 1.99 0 0 3 0.20 1.90 0 0 3 1.30 3.01 0 0 -4 2437.90 22.60 0 0 -4 2398.30 23.00 0 0 4 2480.60 24.60 0 0 4 2445.10 35.80 0 0 4 2349.00 21.00 0 0 -5 5.32 2.08 0 0 -5 -3.06 2.72 0 0 -5 4.62 3.81 0 0 -5 0.76 4.06 0 0 5 5.19 4.57 0 0 5 3.30 2.87 0 0 5 1.75 3.33 0 0 -6 1177.40 14.80 0 0 -6 1166.60 16.60 0 0 -6 1107.70 19.10 0 0 6 1178.00 20.00 0 0 6 1168.30 15.10 0 0 -7 1.67 4.49 0 0 -7 -1.09 4.61 0 0 7 1.01 5.04 0 0 7 -0.32 3.27 0 0 -8 170.92 9.31 0 0 -8 150.64 10.57 0 0 8 154.98 11.15 0 0 8 160.85 7.74 0 0 -9 0.58 4.86 0 0 -9 -3.00 4.87 0 0 9 2.97 5.59 0 0 9 -0.17 3.41 0 0 -10 2438.10 29.00 0 0 -10 2342.90 34.60 0 0 10 2430.50 35.40 0 0 10 2348.20 25.40 0 0 -11 -1.66 5.21 0 0 -11 5.44 5.99 0 0 11 -4.12 5.69 0 0 11 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9.90 -9 -9 -6 277.79 24.25 -9 9 -6 255.27 21.31 9 -9 6 299.04 24.58 9 -9 6 257.65 21.20 9 9 6 235.49 21.15 9 9 6 278.48 21.25 -9 -9 -7 16.98 13.61 -9 9 -7 14.82 11.16 9 -9 7 18.00 12.03 9 -9 7 17.28 10.34 9 9 7 6.46 10.85 9 9 7 -0.55 9.91 -9 -9 -8 3.50 13.24 -9 9 -8 19.54 11.65 9 -9 8 42.03 13.84 9 -9 8 23.08 12.13 9 9 8 8.60 11.39 9 9 8 22.04 11.61 -9 -9 -9 -2.40 12.86 -9 9 -9 4.03 10.56 9 -9 9 -8.19 10.57 9 -9 9 8.97 10.89 9 9 9 3.59 10.55 9 9 9 -4.01 9.52 -9 -9 -10 122.12 20.42 -9 9 -10 141.69 18.68 9 -9 10 134.79 19.62 9 -9 10 117.26 16.65 9 9 10 139.64 18.84 9 9 10 99.76 16.36 -9 -9 -11 132.07 21.30 -9 9 -11 115.88 18.05 9 -9 11 146.38 19.81 9 -9 11 98.29 15.99 9 9 11 102.38 17.64 9 9 11 129.52 18.28 -9 -9 -12 111.59 20.97 -9 9 -12 99.86 17.46 9 -9 12 105.35 18.62 9 -9 12 122.22 17.21 9 9 12 104.04 18.24 9 9 12 116.34 17.85 -9 -9 -13 7.85 15.10 -9 9 -13 3.61 11.34 9 -9 13 0.89 11.44 9 -9 13 4.02 10.59 9 9 13 6.16 12.08 9 9 13 -0.09 11.09 -9 -9 -14 11.57 16.16 -9 9 -14 9.64 12.93 9 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22.09 9 10 8 208.15 20.33 -9 -10 -9 29.52 15.06 -9 10 -9 13.30 12.36 9 -10 9 18.25 12.93 9 -10 9 27.41 12.71 9 10 9 31.87 14.08 9 10 9 19.59 11.70 -9 -10 -10 71.97 19.49 -9 10 -10 90.19 17.41 9 -10 10 70.31 17.16 9 -10 10 78.36 15.31 9 10 10 72.47 16.70 9 10 10 60.91 14.39 -9 -10 -11 -19.14 12.98 -9 10 -11 4.08 11.86 9 -10 11 -2.77 11.48 9 -10 11 -0.92 10.25 9 10 11 -3.25 12.39 9 10 11 0.22 10.67 -9 -10 -12 72.04 20.62 -9 10 -12 80.25 17.35 9 -10 12 64.90 17.13 9 -10 12 67.17 14.49 9 10 12 80.74 17.96 9 10 12 91.55 16.60 -9 -10 -13 26.09 17.24 -9 10 -13 22.53 14.27 9 -10 13 32.85 15.34 9 10 13 9.26 14.09 9 10 13 8.98 12.43 -9 -10 -14 185.49 26.17 -9 10 -14 160.16 21.87 9 -10 14 165.38 23.09 9 10 14 192.40 23.91 9 10 14 148.11 20.40 -9 -10 -15 -11.20 15.93 -9 10 -15 -9.25 12.41 9 -10 15 -9.36 11.27 9 10 15 -2.72 12.59 9 10 15 -8.88 11.63 -9 -10 -16 22.92 18.17 -9 10 -16 3.00 13.41 9 -10 16 -1.23 12.14 9 10 16 15.74 15.35 -9 -10 -17 -20.62 15.71 -9 10 -17 6.25 14.53 9 -10 17 3.92 12.99 9 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22.44 -9 11 14 134.54 20.25 -9 11 14 111.30 17.64 9 -11 -14 131.65 21.52 9 11 -14 175.49 23.29 9 11 -14 112.06 17.57 -9 -11 13 17.42 13.46 -9 11 13 7.75 12.19 -9 11 13 5.16 10.29 9 -11 -13 19.14 14.31 9 11 -13 11.09 13.69 9 11 -13 5.22 11.15 -9 -11 12 6.90 11.95 -9 11 12 -3.94 10.94 -9 11 12 0.43 10.19 9 -11 -12 -10.32 12.03 9 11 -12 -2.97 12.39 9 11 -12 10.14 10.41 -9 -11 11 10.35 13.30 -9 11 11 11.41 12.27 -9 11 11 25.33 12.85 9 -11 -11 18.73 14.20 9 11 -11 14.37 13.55 9 11 -11 12.91 11.18 -9 -11 10 286.99 25.66 -9 11 10 280.13 24.45 -9 11 10 290.10 24.53 9 -11 -10 308.91 27.09 9 11 -10 263.07 25.04 9 11 -10 244.66 20.57 -9 -11 9 5.43 12.14 -9 11 9 6.65 12.02 -9 11 9 -3.92 10.72 9 -11 -9 3.67 12.46 9 11 -9 7.98 12.76 9 11 -9 -3.94 9.32 -9 -11 8 76.71 16.72 -9 11 8 79.13 16.67 -9 11 8 72.69 15.95 9 -11 -8 64.91 16.78 9 11 -8 59.16 16.38 9 11 -8 44.53 12.63 -9 -11 7 0.40 11.22 -9 11 7 -5.35 10.67 -9 11 7 2.92 10.68 9 -11 -7 -4.59 11.88 9 11 -7 5.55 11.96 9 11 -7 13.60 10.14 -9 -11 6 109.04 17.61 -9 11 6 116.87 18.12 -9 11 6 133.50 19.05 9 -11 -6 127.75 19.21 9 11 -6 113.71 18.56 9 11 -6 100.02 14.86 -9 -11 5 3.10 10.82 -9 11 5 -9.65 9.80 -9 11 5 4.78 10.84 9 -11 -5 2.85 11.65 9 11 -5 2.46 11.97 -9 -11 4 194.09 21.27 -9 -11 4 171.65 17.91 -9 11 4 189.07 21.20 -9 11 4 205.48 22.30 9 -11 -4 199.18 22.03 9 11 -4 168.84 20.93 -9 -11 3 7.88 11.10 -9 -11 3 15.21 11.20 -9 11 3 -1.76 10.94 -9 11 3 8.17 10.67 9 -11 -3 16.25 12.89 9 11 -3 18.07 12.98 -9 -11 2 -10.81 9.45 -9 -11 2 10.69 11.01 -9 11 2 -1.03 11.05 -9 11 2 -2.33 10.32 9 -11 -2 1.09 10.91 9 11 -2 4.11 11.62 -9 -11 1 47.05 13.72 -9 -11 1 41.64 13.58 -9 11 1 24.23 12.88 -9 11 1 29.66 13.63 9 -11 -1 65.28 16.38 9 11 -1 43.49 14.90 -9 -11 0 266.46 22.37 -9 -11 0 322.23 23.71 -9 11 0 288.36 24.26 -9 11 0 260.59 24.10 9 -11 0 279.11 24.16 9 11 0 290.49 24.89 -9 -11 -1 9.01 10.43 -9 -11 -1 11.59 12.55 -9 11 -1 -3.74 10.70 9 -11 1 -0.23 11.90 9 11 1 8.19 12.10 -9 -11 -2 207.82 19.66 -9 -11 -2 220.40 21.99 -9 11 -2 191.83 21.46 9 -11 2 191.48 22.41 9 -11 2 206.92 21.69 9 11 2 239.52 23.83 -9 -11 -3 5.24 9.72 -9 -11 -3 10.23 12.10 -9 11 -3 3.78 11.39 9 -11 3 19.59 13.20 9 -11 3 -0.28 11.94 9 11 3 2.44 12.46 -9 -11 -4 11.70 12.97 -9 11 -4 12.57 12.35 9 -11 4 -5.95 11.47 9 -11 4 2.27 11.18 9 11 4 16.80 13.25 -9 -11 -5 -2.89 13.43 -9 11 -5 -0.85 11.46 9 -11 5 12.82 13.02 9 -11 5 -1.47 10.09 9 11 5 -0.02 11.99 -9 -11 -6 178.48 23.47 -9 11 -6 159.98 20.59 9 -11 6 181.37 23.03 9 -11 6 142.23 18.67 9 11 6 151.98 20.97 -9 -11 -7 17.74 13.84 -9 11 -7 -9.50 10.71 9 -11 7 23.35 14.11 9 -11 7 4.21 11.63 9 11 7 13.30 13.25 -9 -11 -8 -5.58 13.99 -9 11 -8 -11.04 10.91 9 -11 8 10.37 12.93 9 -11 8 2.73 11.58 9 11 8 7.07 13.29 -9 -11 -9 13.36 16.10 -9 11 -9 10.56 12.80 9 -11 9 12.18 13.59 9 -11 9 17.89 12.22 9 11 9 25.46 14.34 -9 -11 -10 154.85 23.95 -9 11 -10 172.70 22.56 9 -11 10 205.62 24.91 9 -11 10 144.41 19.13 9 11 10 168.81 22.96 -9 -11 -11 26.72 18.93 -9 11 -11 6.98 12.69 9 -11 11 19.12 14.42 9 11 11 11.71 13.56 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250.70 27.65 10 14 -4 149.69 24.03 -10 -14 3 -3.21 13.33 -10 14 3 -13.30 12.52 -10 14 3 14.12 15.39 10 -14 -3 6.89 13.72 10 14 -3 11.52 15.44 -10 -14 2 -10.52 12.56 -10 14 2 2.90 13.92 -10 14 2 -7.36 11.95 10 -14 -2 7.95 15.58 10 14 -2 23.90 16.34 -10 14 1 3.70 13.75 -10 14 1 13.51 14.92 10 -14 -1 -8.10 12.83 10 14 -1 2.81 14.86 -10 14 0 107.23 20.89 -10 14 0 104.08 20.90 10 -14 0 82.01 20.12 10 14 0 76.21 20.30 -10 14 -1 -0.10 13.54 -10 14 -1 -7.69 13.25 10 -14 1 6.72 14.58 10 14 1 3.19 15.31 -10 -14 -2 31.98 16.79 -10 14 -2 25.05 16.38 -10 14 -2 31.80 16.56 10 -14 2 32.37 16.54 10 14 2 30.69 17.87 -11 0 32 0.05 14.09 11 0 -32 1.67 14.45 -11 0 31 87.24 19.50 11 0 -31 70.35 20.19 -11 0 30 -4.83 11.82 11 0 -30 4.06 14.52 -11 0 29 60.67 16.83 -11 0 29 50.44 14.22 11 0 -29 70.90 19.05 -11 0 28 -8.54 11.04 -11 0 28 -0.45 9.53 11 0 -28 4.22 13.51 -11 0 27 107.85 18.07 -11 0 27 107.16 17.26 11 0 -27 98.90 19.41 -11 0 26 0.35 10.68 -11 0 26 -3.32 9.59 11 0 -26 -8.46 11.23 -11 0 25 -5.60 9.71 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4.24 11.78 11 -11 3 -4.06 11.35 11 11 3 -1.04 11.61 11 11 3 4.97 11.20 -11 -11 -4 12.12 13.60 -11 11 -4 14.72 12.70 -11 11 -4 16.78 13.16 11 -11 4 12.49 12.32 11 11 4 9.98 12.75 -11 -11 -5 5.24 13.27 -11 11 -5 8.23 12.12 -11 11 -5 -0.34 11.60 11 -11 5 4.63 12.38 11 11 5 0.76 12.22 -11 -11 -6 106.44 21.23 -11 11 -6 96.43 17.42 -11 11 -6 121.86 20.23 11 -11 6 102.21 17.88 11 11 6 105.22 18.75 -11 -11 -7 3.73 14.33 -11 11 -7 6.47 12.63 -11 11 -7 -1.02 12.40 11 -11 7 7.42 12.30 11 11 7 -2.34 11.92 -11 -11 -8 4.28 14.83 -11 11 -8 -4.88 11.69 -11 11 -8 -5.18 12.11 11 -11 8 -10.56 11.36 11 11 8 6.01 12.62 -11 -11 -9 -5.03 15.07 -11 11 -9 9.10 12.88 -11 11 -9 7.76 12.47 11 -11 9 5.84 11.49 11 11 9 -2.77 12.36 -11 -11 -10 124.04 23.34 -11 11 -10 123.83 19.97 -11 11 -10 124.60 21.47 11 -11 10 95.28 18.60 11 11 10 97.78 19.41 -11 -11 -11 11.81 16.45 -11 11 -11 -1.35 12.61 -11 11 -11 -2.08 12.47 11 11 11 5.34 13.60 -11 -11 -12 129.80 24.64 -11 11 -12 141.39 21.78 11 11 12 121.36 21.45 -11 -11 -13 6.21 17.87 -11 11 -13 -0.32 13.50 -11 11 -13 14.42 13.93 11 11 13 7.49 14.42 -11 -11 -14 1.78 19.60 -11 11 -14 -6.82 14.34 -11 11 -14 -8.99 12.84 11 11 14 -0.50 14.30 -11 -12 18 111.62 22.77 -11 12 18 86.14 20.26 11 -12 -18 68.36 20.42 11 12 -18 55.61 19.48 -11 -12 17 49.99 18.33 -11 12 17 43.34 17.42 11 -12 -17 35.32 18.31 11 12 -17 53.61 18.90 -11 -12 16 12.12 15.25 -11 12 16 8.85 14.53 -11 12 16 18.51 13.21 11 -12 -16 47.61 19.34 11 12 -16 19.71 16.41 -11 -12 15 -7.04 13.24 -11 12 15 -5.80 12.54 -11 12 15 3.45 11.67 11 -12 -15 12.74 16.69 11 12 -15 8.91 15.07 -11 -12 14 18.47 15.60 -11 12 14 3.86 12.92 -11 12 14 7.33 12.23 11 -12 -14 21.74 16.36 11 12 -14 2.21 14.49 -11 -12 13 93.04 19.95 -11 12 13 73.54 17.68 -11 12 13 56.68 16.13 11 -12 -13 83.63 20.23 11 12 -13 71.74 19.05 -11 -12 12 65.51 18.02 -11 12 12 68.09 17.49 -11 12 12 56.80 16.03 11 -12 -12 74.14 19.26 11 12 -12 63.82 18.09 -11 -12 11 51.53 17.19 -11 12 11 38.15 14.80 -11 12 11 51.90 15.93 11 -12 -11 56.58 17.89 11 12 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12 7 28.47 15.64 -11 -12 -8 48.01 20.01 -11 12 -8 53.52 17.14 -11 12 -8 53.16 17.71 11 -12 8 46.34 16.77 11 12 8 57.86 17.76 -11 -12 -9 60.02 21.30 -11 12 -9 43.24 16.51 -11 12 -9 80.99 19.93 11 -12 9 29.03 14.68 11 12 9 58.33 18.12 -11 -12 -10 51.52 20.92 -11 12 -10 10.63 14.92 -11 12 -10 17.83 15.28 11 12 10 19.23 15.77 -11 -12 -11 -4.45 16.42 -11 12 -11 -5.28 14.13 -11 12 -11 0.56 12.99 11 12 11 -5.52 13.44 -11 -13 14 9.69 14.83 -11 13 14 -1.00 13.83 -11 13 14 -0.93 12.73 11 -13 -14 24.54 17.93 11 13 -14 -8.34 14.78 -11 -13 13 16.04 15.69 -11 13 13 6.39 14.80 -11 13 13 6.59 13.22 11 -13 -13 1.78 15.01 11 13 -13 25.98 16.89 -11 -13 12 -5.87 13.70 -11 13 12 -0.47 13.08 -11 13 12 0.51 12.00 11 -13 -12 -2.07 14.38 11 13 -12 12.62 15.15 -11 -13 11 81.64 19.93 -11 13 11 86.13 19.17 -11 13 11 78.89 18.56 11 -13 -11 83.16 20.62 11 13 -11 113.94 22.15 -11 -13 10 23.03 14.99 -11 13 10 11.60 14.06 -11 13 10 16.23 13.84 11 -13 -10 8.65 14.84 11 13 -10 14.25 15.98 -11 -13 9 85.03 19.41 -11 13 9 51.43 16.59 -11 13 9 52.22 17.55 11 -13 -9 87.41 20.91 11 13 -9 53.18 18.89 -11 -13 8 8.50 14.35 -11 13 8 9.35 13.57 -11 13 8 20.98 14.34 11 -13 -8 -12.90 14.76 11 13 -8 8.22 14.82 -11 -13 7 3.53 14.18 -11 13 7 -2.75 12.24 -11 13 7 5.59 13.45 11 -13 -7 -12.71 12.92 11 13 -7 11.30 14.11 -11 -13 6 -0.64 12.84 -11 13 6 -7.09 12.12 -11 13 6 2.54 12.99 11 -13 -6 -5.78 12.83 11 13 -6 11.06 14.34 -11 -13 5 52.06 16.92 -11 13 5 88.11 18.78 -11 13 5 61.52 18.41 11 -13 -5 79.36 20.07 11 13 -5 77.78 18.87 -11 -13 4 10.83 13.57 -11 13 4 15.55 13.93 -11 13 4 -1.18 12.82 11 -13 -4 25.15 14.76 11 13 -4 8.84 14.62 -11 -13 3 30.66 15.22 -11 13 3 26.03 15.03 -11 13 3 40.66 15.83 11 -13 -3 32.54 17.09 11 13 -3 31.62 15.68 -11 -13 2 1.04 12.38 -11 13 2 -11.55 12.52 -11 13 2 -14.55 11.60 11 -13 -2 16.11 15.28 11 13 -2 0.91 13.20 -11 13 1 17.40 15.00 -11 13 1 29.04 15.42 11 -13 -1 30.79 15.65 11 13 -1 47.87 17.05 -11 -13 0 15.05 13.27 -11 13 0 17.82 14.96 -11 13 0 12.86 14.21 11 -13 0 13.71 15.41 11 13 0 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13.22 -12 10 12 2.03 10.91 -12 10 12 0.29 10.94 12 -10 -12 -4.09 13.12 12 10 -12 8.41 12.57 12 10 -12 1.11 11.52 -12 -10 11 41.10 15.22 -12 10 11 52.78 13.96 -12 10 11 25.27 12.91 12 -10 -11 50.23 16.25 12 10 -11 54.42 15.51 12 10 -11 46.39 14.85 -12 -10 10 0.44 11.88 -12 10 10 3.71 10.62 -12 10 10 -1.52 10.68 12 -10 -10 10.71 13.28 12 10 -10 12.39 12.37 12 10 -10 9.30 11.99 -12 -10 9 178.05 21.75 -12 10 9 176.81 19.83 -12 10 9 153.13 20.37 12 -10 -9 137.71 21.48 12 10 -9 128.09 18.58 12 10 -9 140.49 18.91 -12 -10 8 -6.78 11.08 -12 10 8 -4.67 9.38 -12 10 8 -1.41 10.33 12 -10 -8 -0.27 11.71 12 10 -8 2.58 11.20 12 10 -8 -3.04 10.43 -12 -10 7 15.71 14.01 -12 -10 7 12.62 11.93 -12 10 7 2.37 10.06 -12 10 7 6.82 11.79 12 -10 -7 9.72 13.66 12 10 -7 0.65 11.43 12 10 -7 4.43 10.86 -12 -10 6 11.38 13.68 -12 -10 6 29.36 13.48 -12 10 6 1.66 10.00 -12 10 6 6.39 11.15 12 -10 -6 2.16 12.25 12 10 -6 -7.08 10.50 12 10 -6 -0.19 10.18 -12 -10 5 208.06 23.94 -12 -10 5 232.24 22.36 -12 -10 5 187.48 19.83 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199.36 19.80 -12 -10 -1 208.12 23.09 -12 10 -1 207.76 20.67 -12 10 -1 191.01 22.19 12 -10 1 215.86 22.62 12 10 1 207.17 21.22 12 10 1 158.78 19.30 -12 -10 -2 3.46 13.10 -12 -10 -2 -5.74 11.53 -12 10 -2 5.84 10.27 -12 10 -2 10.65 13.31 12 -10 2 -7.93 10.68 12 10 2 9.21 11.53 12 10 2 -3.01 10.30 -12 -10 -3 -10.63 13.16 -12 -10 -3 0.44 12.01 -12 10 -3 9.90 10.58 -12 10 -3 3.28 11.10 12 -10 3 -4.57 12.20 12 10 3 -10.24 10.42 12 10 3 2.38 11.27 -12 -10 -4 9.78 14.70 -12 10 -4 7.78 10.64 -12 10 -4 -10.16 10.24 12 -10 4 -1.09 12.18 12 10 4 11.71 11.54 12 10 4 0.03 10.55 -12 -10 -5 61.26 17.46 -12 10 -5 66.07 14.88 -12 10 -5 77.95 17.29 12 -10 5 58.18 16.85 12 10 5 44.06 14.27 12 10 5 74.83 15.91 -12 -10 -6 13.67 14.72 -12 10 -6 -5.52 10.76 -12 10 -6 1.80 12.20 12 -10 6 4.88 11.30 12 10 6 0.01 11.47 12 10 6 2.57 11.44 -12 -10 -7 77.93 19.34 -12 10 -7 88.26 16.38 -12 10 -7 87.09 18.28 12 -10 7 88.92 17.86 12 10 7 70.15 16.38 12 10 7 101.27 18.20 -12 -10 -8 21.72 15.84 -12 10 -8 0.98 10.86 -12 10 -8 6.25 11.98 12 -10 8 0.31 12.32 12 10 8 -8.08 10.51 12 10 8 1.03 11.21 -12 -10 -9 12.15 17.68 -12 10 -9 14.82 12.15 -12 10 -9 30.99 14.76 12 -10 9 32.68 14.53 12 10 9 23.20 14.17 12 10 9 12.33 13.49 -12 -10 -10 16.86 18.41 -12 10 -10 6.11 12.92 -12 10 -10 7.92 13.24 12 -10 10 15.77 12.28 12 10 10 6.89 13.16 12 10 10 13.89 13.37 -12 -10 -11 178.73 27.42 -12 10 -11 186.94 23.01 12 -10 11 163.42 21.58 12 10 11 173.08 22.56 12 10 11 193.30 23.15 -12 -10 -12 8.38 16.97 -12 10 -12 -1.38 12.07 12 -10 12 4.80 12.08 12 10 12 6.93 13.61 12 10 12 1.52 13.34 -12 -10 -13 20.25 18.15 -12 10 -13 29.55 15.39 12 10 13 23.38 15.40 12 10 13 34.09 15.68 -12 -10 -14 -6.46 16.94 -12 10 -14 -1.07 12.36 12 10 14 -10.06 12.66 12 10 14 -11.41 13.80 -12 -10 -15 4.37 17.41 -12 10 -15 9.07 13.90 12 10 15 11.33 15.12 12 10 15 15.42 15.59 -12 -11 20 23.00 16.51 -12 11 20 -0.63 14.09 12 -11 -20 4.68 16.04 12 11 -20 2.58 14.78 12 11 -20 1.59 14.25 -12 -11 19 12.26 15.28 -12 11 19 42.08 16.79 12 -11 -19 33.98 17.30 12 11 -19 19.85 16.36 12 11 -19 29.25 16.04 -12 -11 18 12.90 15.52 -12 11 18 1.21 13.09 -12 11 18 -7.64 11.19 12 -11 -18 3.52 14.53 12 11 -18 -16.67 13.85 12 11 -18 -4.17 12.92 -12 -11 17 133.05 23.45 -12 11 17 110.98 20.03 -12 11 17 108.29 18.87 12 -11 -17 148.17 23.57 12 11 -17 101.75 20.59 12 11 -17 128.41 20.91 -12 -11 16 5.88 14.31 -12 11 16 16.02 14.24 -12 11 16 21.93 14.81 -12 11 16 9.75 12.59 12 -11 -16 8.93 14.70 12 11 -16 4.07 14.07 12 11 -16 -0.58 13.38 -12 -11 15 -3.48 13.04 -12 11 15 -1.65 11.82 -12 11 15 -7.52 10.86 12 -11 -15 3.52 14.76 12 11 -15 -6.62 12.97 12 11 -15 2.56 11.79 -12 -11 14 4.45 12.84 -12 11 14 8.61 11.94 -12 11 14 9.69 11.80 12 -11 -14 -3.07 14.81 12 11 -14 11.48 13.68 12 11 -14 -6.42 12.27 -12 -11 13 168.91 23.75 -12 11 13 148.38 20.32 -12 11 13 133.57 20.39 12 -11 -13 180.60 24.50 12 11 -13 160.93 21.88 12 11 -13 136.65 20.47 -12 -11 12 14.75 14.14 -12 11 12 26.21 13.83 -12 11 12 31.69 13.96 12 -11 -12 31.89 15.55 12 11 -12 24.27 14.77 12 11 -12 23.05 13.80 -12 -11 11 117.71 20.54 -12 11 11 131.66 18.68 -12 11 11 151.98 21.07 12 -11 -11 139.43 22.86 12 11 -11 119.36 19.95 12 11 -11 125.65 18.87 -12 -11 10 -8.03 11.94 -12 11 10 6.64 11.13 -12 11 10 20.67 13.11 12 -11 -10 1.61 13.60 12 11 -10 11.27 12.65 12 11 -10 5.50 11.92 -12 -11 9 12.99 13.69 -12 11 9 15.14 11.85 -12 11 9 11.11 12.63 12 -11 -9 27.43 14.74 12 11 -9 1.13 12.38 12 11 -9 12.05 12.36 -12 -11 8 -2.01 11.64 -12 11 8 -7.18 10.66 -12 11 8 0.52 11.22 12 -11 -8 -12.63 12.37 12 11 -8 10.42 12.72 12 11 -8 -12.67 10.41 -12 -11 7 192.01 22.88 -12 11 7 179.66 21.29 -12 11 7 192.12 22.64 12 -11 -7 171.47 22.92 12 11 -7 185.59 22.50 12 11 -7 169.90 20.35 -12 -11 6 10.15 12.27 -12 11 6 13.23 12.02 -12 11 6 11.67 13.02 12 -11 -6 16.14 14.02 12 11 -6 10.72 12.56 12 11 -6 3.16 10.98 -12 -11 5 -0.88 11.21 -12 11 5 5.42 11.50 -12 11 5 1.35 12.12 12 -11 -5 16.89 15.42 12 11 -5 -5.35 11.45 12 11 -5 10.43 11.70 -12 -11 4 3.43 11.61 -12 11 4 11.03 11.76 -12 11 4 5.29 12.35 12 -11 -4 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19.37 12 11 3 130.87 19.74 12 11 3 93.98 17.54 -12 -11 -4 17.53 14.31 -12 11 -4 0.17 11.60 -12 11 -4 7.34 12.80 12 -11 4 1.16 13.14 12 11 4 3.12 12.08 12 11 4 7.22 11.75 -12 -11 -5 47.26 16.85 -12 11 -5 20.24 13.39 -12 11 -5 24.00 14.78 12 -11 5 43.19 16.06 12 11 5 49.69 15.27 -12 -11 -6 14.66 14.61 -12 11 -6 12.68 12.69 -12 11 -6 4.00 13.50 12 -11 6 -2.71 11.33 12 11 6 -4.76 11.06 -12 -11 -7 61.86 20.06 -12 11 -7 44.08 15.05 -12 11 -7 67.39 17.88 12 -11 7 54.90 16.74 12 11 7 56.54 16.14 -12 -11 -8 29.44 17.44 -12 11 -8 28.11 14.66 12 -11 8 22.41 14.68 12 11 8 6.52 12.62 -12 -11 -9 146.72 24.37 -12 11 -9 158.89 23.13 12 -11 9 139.74 20.76 12 11 9 134.97 21.34 -12 -11 -10 6.93 16.53 -12 11 -10 11.00 13.46 12 -11 10 -8.28 12.55 12 11 10 13.40 14.09 -12 -11 -11 13.07 18.91 -12 11 -11 0.44 13.23 12 11 11 1.78 13.62 -12 -11 -12 -11.78 17.52 -12 11 -12 1.87 12.98 12 11 12 -7.90 14.35 -12 -11 -13 57.67 21.06 -12 11 -13 48.96 17.34 12 11 13 65.90 19.47 -12 -12 17 -1.70 14.62 -12 12 17 -6.39 14.11 -12 12 17 6.77 13.01 12 -12 -17 -8.01 15.29 12 12 -17 9.16 15.35 -12 -12 16 14.15 15.19 -12 12 16 6.50 14.10 -12 12 16 12.19 13.61 12 -12 -16 5.35 15.20 12 12 -16 11.46 15.92 -12 -12 15 98.87 21.97 -12 12 15 74.37 18.48 -12 12 15 91.53 18.91 12 -12 -15 115.20 24.09 12 12 -15 66.10 19.75 -12 -12 14 97.59 20.83 -12 12 14 60.05 16.87 -12 12 14 53.09 16.87 12 -12 -14 79.70 20.28 12 12 -14 59.54 19.61 -12 -12 13 7.93 14.35 -12 12 13 5.57 12.89 -12 12 13 -2.73 11.90 12 -12 -13 18.74 15.85 12 12 -13 -23.49 12.53 -12 -12 12 -13.30 12.25 -12 12 12 -5.47 11.76 -12 12 12 0.86 11.72 12 -12 -12 3.67 15.61 12 12 -12 -0.39 13.52 -12 -12 11 48.22 17.35 -12 12 11 38.51 14.99 -12 12 11 48.13 15.63 12 -12 -11 45.57 17.51 12 12 -11 51.25 16.94 -12 -12 10 77.96 19.02 -12 12 10 45.59 15.17 -12 12 10 32.67 15.20 12 -12 -10 38.88 18.01 12 12 -10 41.31 16.83 -12 -12 9 117.01 20.53 -12 12 9 67.80 16.60 -12 12 9 67.21 17.57 12 -12 -9 48.62 17.72 12 12 -9 66.79 18.10 -12 -12 8 6.64 13.00 -12 12 8 17.97 12.90 -12 12 8 -5.91 12.09 12 -12 -8 4.64 13.35 12 12 -8 -0.68 13.51 -12 -12 7 7.91 12.65 -12 12 7 3.09 11.92 -12 12 7 -2.89 11.81 12 -12 -7 9.66 13.75 12 12 -7 -5.21 12.26 -12 -12 6 -1.98 12.71 -12 12 6 8.41 12.62 -12 12 6 8.10 12.86 12 -12 -6 -4.47 13.73 12 12 -6 10.14 13.77 -12 -12 5 58.20 16.58 -12 12 5 65.69 16.57 -12 12 5 43.82 16.10 12 -12 -5 61.18 18.46 12 12 -5 69.67 17.64 -12 -12 4 69.64 17.25 -12 12 4 82.58 17.21 -12 12 4 106.74 20.33 12 -12 -4 102.95 20.11 12 12 -4 78.27 18.01 -12 -12 3 62.16 16.04 -12 12 3 51.11 15.23 -12 12 3 44.21 16.04 12 -12 -3 58.44 17.45 12 12 -3 38.87 15.40 -12 -12 2 8.49 12.18 -12 12 2 -3.72 11.26 -12 12 2 12.60 13.65 12 -12 -2 12.33 13.77 12 12 -2 -14.01 11.98 -12 -12 1 0.61 11.52 -12 -12 1 8.13 12.90 -12 12 1 -9.41 11.28 -12 12 1 9.17 13.59 12 -12 -1 9.15 14.53 12 12 -1 14.05 13.87 -12 -12 0 12.54 14.31 -12 12 0 24.78 14.10 -12 12 0 22.44 14.87 12 -12 0 11.00 13.45 12 12 0 0.43 12.89 -12 -12 -1 76.89 17.45 -12 12 -1 80.96 17.64 -12 12 -1 82.20 18.52 12 -12 1 92.53 19.00 12 12 1 77.68 18.02 -12 -12 -2 10.14 13.60 -12 12 -2 -3.88 11.76 -12 12 -2 0.96 12.64 12 -12 2 6.01 12.78 12 12 2 0.30 13.10 -12 -12 -3 16.27 15.57 -12 12 -3 15.16 14.79 12 -12 3 -0.13 13.47 12 12 3 4.72 13.24 -12 -12 -4 6.57 13.67 -12 12 -4 1.12 13.30 12 -12 4 10.66 12.83 12 12 4 19.57 14.04 -12 -12 -5 19.66 15.60 -12 12 -5 25.31 15.48 12 -12 5 31.83 15.06 12 12 5 27.19 15.30 -12 -12 -6 71.26 20.15 -12 12 -6 79.01 19.27 12 -12 6 57.44 16.50 12 12 6 56.42 17.71 -12 -12 -7 35.38 19.44 -12 12 -7 66.53 18.39 12 -12 7 26.76 15.77 12 12 7 24.17 15.82 -12 -12 -8 -11.40 16.03 -12 12 -8 8.76 13.79 12 -12 8 -10.26 12.90 12 12 8 -2.64 13.76 -12 -12 -9 -21.12 16.17 -12 12 -9 20.98 15.60 12 -12 9 10.16 14.75 12 12 9 -12.54 13.40 -12 -13 12 123.88 22.63 -12 13 12 116.11 21.11 12 -13 -12 266.82 31.03 12 13 -12 105.99 21.93 -12 -13 11 9.00 14.49 -12 13 11 7.39 13.22 12 -13 -11 -12.37 14.70 12 13 -11 11.19 15.54 -12 -13 10 -1.38 13.60 -12 13 10 6.89 12.98 12 -13 -10 0.44 14.68 12 13 -10 -2.69 15.27 -12 -13 9 0.71 14.63 -12 13 9 -3.41 12.86 12 -13 -9 0.15 14.85 12 13 -9 -3.58 14.66 -12 -13 8 52.27 17.78 12 -13 -8 29.80 16.43 12 13 -8 52.50 17.95 -12 -13 7 14.87 14.44 -12 13 7 10.19 14.99 12 -13 -7 13.67 16.95 12 13 -7 30.50 16.75 -12 -13 6 70.57 18.45 -12 13 6 86.88 19.86 12 -13 -6 70.85 19.22 12 13 -6 72.36 19.10 -12 -13 5 21.88 15.09 -12 13 5 24.24 15.12 12 -13 -5 26.30 17.26 12 13 -5 5.38 14.44 -12 -13 4 -7.40 12.68 -12 13 4 3.28 13.35 12 -13 -4 1.15 13.99 12 13 -4 -2.60 13.40 -12 -13 3 1.88 12.42 -12 13 3 2.76 13.83 12 -13 -3 3.53 14.19 12 13 -3 -2.07 13.23 -12 13 2 153.53 23.98 12 -13 -2 254.29 28.78 12 13 -2 115.36 21.16 -12 13 1 -7.07 12.40 12 -13 -1 4.90 13.64 12 13 -1 14.25 15.18 -12 13 0 15.76 14.48 12 -13 0 9.06 15.15 12 13 0 16.31 14.60 -12 -13 -1 5.46 14.76 -12 13 -1 2.09 13.72 12 -13 1 0.29 13.21 12 13 1 2.31 14.52 -12 -13 -2 30.28 16.41 -12 13 -2 14.62 15.12 12 -13 2 28.20 15.52 12 13 2 38.77 16.54 -12 -13 -3 61.52 18.88 -12 13 -3 40.86 17.10 12 -13 3 49.45 18.02 12 13 3 47.72 17.82 -12 -13 -4 125.67 23.02 -12 13 -4 118.89 22.39 12 -13 4 100.16 20.77 12 13 4 120.34 22.09 -13 0 32 -5.14 13.78 13 0 -32 0.06 16.97 -13 0 31 -3.11 14.02 13 0 -31 2.22 16.21 -13 0 30 -5.68 12.83 -13 0 30 -5.89 11.08 13 0 -30 -1.42 14.70 -13 0 29 55.44 16.16 -13 0 29 36.23 14.41 13 0 -29 108.12 22.84 -13 0 28 -3.16 11.89 -13 0 28 -0.84 11.00 13 0 -28 -17.13 11.07 -13 0 27 86.50 17.35 -13 0 27 82.19 16.90 13 0 -27 86.49 19.77 -13 0 26 6.10 11.45 -13 0 26 0.24 11.07 13 0 -26 2.88 13.11 -13 0 25 -1.58 10.56 -13 0 25 7.34 11.70 13 0 -25 7.24 13.48 -13 0 24 -3.93 9.44 -13 0 24 -8.78 9.73 13 0 -24 6.08 12.98 -13 0 23 325.36 22.76 -13 0 23 376.75 25.89 13 0 -23 327.19 26.23 -13 0 22 19.29 10.73 -13 0 22 -1.08 9.12 -13 0 22 -0.51 9.99 13 0 -22 5.95 12.19 -13 0 21 125.75 15.38 -13 0 21 106.15 14.09 -13 0 21 116.02 17.40 13 0 -21 133.17 19.23 -13 0 20 0.30 8.60 -13 0 20 7.86 9.86 -13 0 20 -1.37 9.60 13 0 -20 -3.12 10.60 -13 0 19 42.77 10.56 -13 0 19 49.98 12.03 -13 0 19 63.33 14.07 13 0 -19 54.36 10.39 13 0 -19 51.97 14.86 -13 0 18 2.48 7.86 -13 0 18 -7.29 9.36 -13 0 18 5.57 9.54 13 0 -18 -2.52 7.39 13 0 -18 -8.84 9.67 -13 0 17 530.66 21.35 -13 0 17 528.42 25.17 -13 0 17 532.57 27.61 13 0 -17 536.84 21.66 13 0 -17 528.07 28.25 -13 0 16 0.91 6.94 -13 0 16 11.74 10.06 -13 0 16 1.03 8.95 13 0 -16 8.00 7.93 13 0 -16 -0.87 9.90 -13 0 15 188.93 13.50 -13 0 15 195.83 17.57 -13 0 15 187.76 18.36 13 0 -15 184.57 14.75 13 0 -15 218.57 19.67 -13 0 14 -0.56 5.78 -13 0 14 -0.21 9.74 -13 0 14 -0.40 8.72 13 0 -14 8.99 7.87 13 0 -14 -8.97 9.08 -13 0 13 521.50 16.74 -13 0 13 534.78 24.83 -13 0 13 558.83 26.89 13 0 -13 546.65 22.13 13 0 -13 555.72 26.33 -13 0 12 -0.47 5.11 -13 0 12 6.16 9.76 -13 0 12 -5.28 7.64 13 0 -12 -2.56 7.65 13 0 -12 -1.99 8.62 -13 0 11 323.23 11.81 -13 0 11 370.08 22.24 -13 0 11 373.30 22.08 13 0 -11 349.25 19.28 13 0 -11 328.07 21.57 -13 0 10 -4.29 8.76 -13 0 10 -7.37 7.23 13 0 -10 -6.82 7.58 13 0 -10 -0.65 8.56 -13 0 9 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13 -10 -7 35.48 16.02 13 10 -7 3.77 11.35 13 10 -7 16.16 12.79 -13 -10 6 194.54 24.12 -13 -10 6 178.66 21.46 -13 10 6 183.61 22.27 13 -10 -6 185.05 22.84 13 10 -6 161.33 20.09 13 10 -6 158.15 20.07 -13 -10 5 16.00 14.68 -13 -10 5 25.11 12.88 -13 10 5 11.56 12.66 13 -10 -5 2.56 12.55 13 10 -5 19.76 12.23 13 10 -5 13.08 12.36 -13 -10 4 16.89 14.49 -13 -10 4 14.50 11.66 -13 -10 4 25.81 11.82 -13 10 4 10.27 12.86 13 -10 -4 20.64 13.56 13 10 -4 4.62 11.08 13 10 -4 11.49 12.06 -13 -10 3 -0.21 12.76 -13 -10 3 -1.69 10.25 -13 -10 3 3.20 11.88 -13 10 3 11.88 12.83 13 -10 -3 -2.29 11.81 13 10 -3 -1.55 10.58 13 10 -3 -3.13 10.94 -13 -10 2 382.13 30.32 -13 -10 2 280.86 22.99 -13 -10 2 262.45 23.47 -13 10 2 249.74 24.98 13 -10 -2 336.63 27.36 13 10 -2 271.93 23.15 13 10 -2 321.92 24.93 -13 -10 1 6.35 13.59 -13 -10 1 3.04 10.71 -13 -10 1 3.51 12.34 -13 10 1 3.94 11.54 13 -10 -1 8.19 13.40 13 10 -1 9.96 11.90 13 10 -1 1.73 11.48 -13 -10 0 78.52 18.35 -13 -10 0 67.65 14.72 -13 -10 0 96.34 17.17 -13 10 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157.85 20.97 13 10 8 155.44 21.15 -13 -10 -9 19.85 17.29 -13 10 -9 9.51 13.26 13 -10 9 9.43 13.69 13 10 9 7.93 13.28 13 10 9 21.66 14.45 -13 -10 -10 75.64 21.33 -13 10 -10 75.47 18.09 13 -10 10 69.68 17.77 13 10 10 41.82 15.91 13 10 10 79.42 19.12 -13 -10 -11 -7.97 16.08 -13 10 -11 -11.35 11.76 13 -10 11 1.89 13.57 13 10 11 0.76 12.66 -13 -10 -12 15.53 18.25 -13 10 -12 12.28 13.82 13 -10 12 -2.01 13.26 13 10 12 -2.53 13.30 -13 -10 -13 7.83 17.74 -13 10 -13 -0.62 12.54 13 10 13 -12.27 13.41 -13 -10 -14 32.38 21.05 -13 10 -14 60.03 17.62 13 10 14 69.81 19.47 -13 -11 19 16.88 17.30 -13 11 19 -11.75 11.94 13 -11 -19 -1.73 14.96 13 11 -19 -6.51 15.26 13 11 -19 -5.30 13.67 -13 -11 18 23.00 16.39 -13 11 18 10.62 13.44 13 -11 -18 1.47 14.55 13 11 -18 -1.23 14.38 13 11 -18 19.90 16.12 -13 -11 17 16.78 15.01 -13 11 17 -6.92 11.67 13 -11 -17 -10.03 16.07 13 11 -17 2.47 14.45 13 11 -17 -2.67 12.77 -13 -11 16 108.08 21.10 -13 11 16 73.63 18.22 -13 11 16 35.10 14.89 13 -11 -16 72.74 19.59 13 11 -16 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2 -12 13.71 16.35 -23 -2 11 30.67 17.17 -23 -2 11 1.93 13.69 -23 -2 11 29.52 13.88 -23 2 11 21.42 17.56 -23 2 11 21.07 15.40 23 -2 -11 21.79 15.62 23 -2 -11 23.15 15.41 23 -2 -11 34.22 15.78 23 2 -11 27.72 17.66 -23 -2 10 -5.61 14.91 -23 -2 10 12.24 13.85 -23 -2 10 22.00 13.97 -23 2 10 1.91 15.68 -23 2 10 20.52 14.87 23 -2 -10 2.62 13.35 23 -2 -10 12.43 14.81 23 -2 -10 6.67 13.97 23 2 -10 6.12 15.97 -23 -2 9 4.70 15.32 -23 -2 9 2.77 13.06 -23 -2 9 1.52 12.80 -23 2 9 -14.52 15.61 -23 2 9 3.57 13.37 23 -2 -9 5.51 13.72 23 -2 -9 18.07 17.00 23 -2 -9 8.49 13.41 23 2 -9 -3.11 15.30 -23 -2 8 -7.61 14.69 -23 -2 8 2.85 12.89 -23 -2 8 3.29 13.16 -23 2 8 1.23 14.88 -23 2 8 -7.61 12.27 23 -2 -8 -9.05 13.25 23 -2 -8 11.93 13.99 23 2 -8 2.03 15.40 -23 -2 7 49.54 20.10 -23 -2 7 41.81 16.40 -23 -2 7 32.49 15.66 -23 2 7 42.53 18.35 -23 2 7 38.43 16.32 23 -2 -7 22.87 16.32 23 -2 -7 52.99 17.57 23 2 -7 41.34 18.66 -23 -2 6 4.91 17.71 -23 -2 6 16.39 14.32 -23 -2 6 17.18 15.01 -23 2 6 25.18 17.92 -23 2 6 47.65 16.82 23 -2 -6 26.92 16.74 23 -2 -6 37.04 16.18 23 2 -6 15.00 16.39 -23 -2 5 17.42 16.89 -23 -2 5 22.44 14.44 -23 -2 5 20.55 15.32 -23 2 5 22.19 16.41 -23 2 5 23.56 14.83 23 -2 -5 11.16 16.04 23 -2 -5 30.65 15.68 23 2 -5 4.34 16.29 -23 -2 4 -12.82 14.04 -23 -2 4 -1.13 11.95 -23 -2 4 16.77 16.06 -23 2 4 9.02 15.64 -23 2 4 -1.99 13.25 23 -2 -4 -5.39 12.94 23 2 -4 5.98 16.27 -23 -2 3 -2.02 15.03 -23 -2 3 -1.26 11.57 -23 -2 3 -3.63 12.93 -23 2 3 -3.42 14.97 -23 2 3 -12.70 11.93 -23 2 3 -2.64 12.62 23 -2 -3 -4.57 12.56 23 2 -3 -13.51 13.95 -23 -2 2 28.48 17.12 -23 -2 2 14.05 13.23 -23 -2 2 16.72 14.66 -23 2 2 18.35 17.69 -23 2 2 26.43 14.56 -23 2 2 18.52 15.37 23 -2 -2 22.53 15.28 23 2 -2 26.32 16.70 -23 -2 1 16.83 16.79 -23 -2 1 18.89 13.66 -23 -2 1 25.52 15.28 -23 2 1 17.39 17.28 -23 2 1 23.87 14.73 -23 2 1 23.01 15.34 23 -2 -1 29.95 16.21 23 2 -1 34.57 17.91 -23 -2 0 14.63 18.07 -23 -2 0 33.35 16.10 -23 2 0 21.63 16.97 -23 2 0 26.53 15.09 -23 2 0 -1.62 15.72 23 -2 0 20.49 15.57 23 2 0 35.27 17.80 -23 -2 -1 -8.66 14.75 -23 -2 -1 13.24 16.65 -23 2 -1 0.45 16.89 -23 2 -1 0.48 13.39 -23 2 -1 9.63 14.71 23 -2 1 5.70 14.53 23 2 1 14.57 16.49 -23 -2 -2 -10.18 15.69 -23 -2 -2 4.75 13.95 -23 2 -2 1.22 14.91 -23 2 -2 -3.21 12.65 -23 2 -2 -3.03 13.50 23 -2 2 18.08 15.95 23 2 2 -2.54 14.88 -23 -2 -3 0.63 16.88 -23 -2 -3 22.65 15.98 -23 2 -3 30.35 16.64 -23 2 -3 8.01 16.92 23 -2 3 26.52 16.86 23 2 3 10.58 17.13 -23 -3 16 0.70 15.32 -23 -3 16 9.39 14.96 -23 3 16 31.70 17.98 -23 3 16 19.58 15.68 23 -3 -16 18.01 15.80 23 -3 -16 14.50 14.77 23 3 -16 16.52 16.96 -23 -3 15 12.13 15.82 -23 -3 15 -4.03 13.26 -23 3 15 -1.28 15.75 -23 3 15 7.79 14.07 23 -3 -15 -18.22 13.73 23 -3 -15 2.59 14.13 23 3 -15 -2.11 15.59 -23 -3 14 81.39 20.63 -23 -3 14 100.93 20.85 -23 3 14 73.13 19.92 -23 3 14 66.91 19.36 23 -3 -14 69.11 19.47 23 -3 -14 38.11 17.27 23 3 -14 93.93 22.81 -23 -3 13 -4.94 16.29 -23 -3 13 -5.82 12.18 -23 3 13 5.76 16.70 -23 3 13 -6.27 14.56 23 -3 -13 -12.62 13.11 23 -3 -13 1.91 14.21 23 -3 -13 -19.26 12.46 23 3 -13 2.02 15.09 -23 -3 12 18.62 16.57 -23 -3 12 3.49 13.49 -23 3 12 -7.41 14.41 -23 3 12 5.06 14.60 23 -3 -12 17.01 14.02 23 -3 -12 31.38 17.33 23 -3 -12 12.90 14.47 23 3 -12 14.26 15.82 -23 -3 11 -4.70 14.26 -23 -3 11 6.08 13.69 -23 3 11 9.16 16.53 -23 3 11 -11.72 12.21 23 -3 -11 -12.93 12.38 23 -3 -11 9.09 15.36 23 -3 -11 2.20 13.05 23 3 -11 -1.78 14.92 -23 -3 10 15.02 17.90 -23 -3 10 16.57 14.53 -23 3 10 12.34 17.50 -23 3 10 4.82 14.36 23 -3 -10 -2.63 14.80 23 -3 -10 13.79 14.21 23 3 -10 2.41 15.77 -23 -3 9 -8.91 14.71 -23 -3 9 -10.71 11.75 -23 -3 9 7.31 13.18 -23 3 9 -6.91 15.66 -23 3 9 4.11 14.17 23 -3 -9 -2.05 15.89 23 -3 -9 5.09 13.37 23 3 -9 9.23 15.57 -23 -3 8 20.74 18.46 -23 -3 8 22.26 14.65 -23 -3 8 33.36 15.35 -23 3 8 26.15 17.23 -23 3 8 29.51 16.46 23 -3 -8 41.93 18.86 23 -3 -8 30.29 15.90 23 3 -8 44.42 18.50 -23 -3 7 -0.61 15.11 -23 -3 7 -8.30 11.97 -23 -3 7 10.13 13.89 -23 3 7 14.51 17.19 -23 3 7 -6.59 12.53 23 -3 -7 3.46 16.98 23 -3 -7 0.78 13.52 23 3 -7 11.44 15.41 -23 -3 6 23.65 17.18 -23 -3 6 -2.51 11.98 -23 -3 6 -0.92 12.47 -23 3 6 -8.15 16.47 -23 3 6 -4.81 12.84 23 -3 -6 -1.66 16.01 23 -3 -6 0.15 13.08 23 3 -6 1.63 15.65 -23 -3 5 0.29 17.43 -23 -3 5 -1.47 12.78 -23 -3 5 1.84 13.94 -23 3 5 -18.08 15.06 -23 3 5 -0.58 13.06 23 -3 -5 5.24 15.88 23 -3 -5 2.05 13.18 23 3 -5 8.20 16.10 -23 -3 4 52.71 19.23 -23 -3 4 41.01 15.53 -23 -3 4 37.98 16.82 -23 3 4 48.73 18.45 -23 3 4 52.96 17.30 23 -3 -4 36.97 18.56 23 -3 -4 47.48 17.15 23 3 -4 60.76 19.55 -23 -3 3 0.91 15.63 -23 -3 3 -7.53 11.56 -23 -3 3 21.36 15.45 -23 3 3 -9.97 15.52 -23 3 3 12.42 14.08 23 -3 -3 26.26 18.89 23 -3 -3 10.62 13.92 23 3 -3 5.48 15.59 -23 -3 2 18.22 16.81 -23 -3 2 1.62 12.99 -23 -3 2 26.14 16.47 -23 3 2 26.76 18.34 -23 3 2 11.72 14.21 23 -3 -2 4.87 16.24 23 -3 -2 16.03 15.06 23 3 -2 4.74 15.29 -23 -3 1 -1.97 14.77 -23 -3 1 -14.67 12.58 -23 3 1 -13.38 15.17 -23 3 1 -7.91 12.45 23 -3 -1 -8.66 12.94 23 3 -1 -24.30 13.43 -23 -3 0 34.70 19.40 -23 -3 0 7.11 15.60 -23 3 0 16.95 16.40 -23 3 0 19.40 14.87 -23 3 0 36.11 16.95 23 -3 0 27.40 16.69 23 3 0 8.04 16.09 -23 -3 -1 -1.64 16.99 -23 -3 -1 14.13 15.27 -23 3 -1 15.30 16.38 -23 3 -1 4.65 13.61 -23 3 -1 18.16 15.51 23 -3 1 16.10 15.55 23 3 1 3.79 16.45 -23 -3 -2 78.22 22.55 -23 -3 -2 79.16 19.72 -23 3 -2 84.37 21.08 -23 3 -2 69.62 18.14 -23 3 -2 120.00 22.87 23 -3 2 75.15 19.71 23 3 2 64.92 21.15 -23 -4 15 6.66 16.46 -23 -4 15 17.55 15.46 -23 4 15 11.46 15.25 -23 4 15 -0.90 14.46 23 -4 -15 13.31 16.09 23 4 -15 71.40 20.61 -23 -4 14 -11.16 16.51 -23 -4 14 12.22 14.11 -23 4 14 0.17 15.46 -23 4 14 -16.83 12.63 23 -4 -14 3.57 14.21 23 4 -14 -12.77 14.74 -23 -4 13 1.47 15.87 -23 -4 13 -0.31 13.05 -23 4 13 16.28 16.14 -23 4 13 0.67 14.15 23 -4 -13 6.99 14.65 23 4 -13 8.57 16.23 -23 -4 12 43.92 19.08 -23 -4 12 38.35 17.01 -23 4 12 61.28 20.82 -23 4 12 34.65 16.78 23 -4 -12 46.92 18.95 23 4 -12 32.39 18.76 -23 -4 11 18.94 17.65 -23 -4 11 9.31 14.32 -23 4 11 -3.75 14.33 -23 4 11 3.17 13.91 23 -4 -11 8.31 16.91 23 4 -11 18.94 17.08 -23 -4 10 66.64 21.01 -23 -4 10 35.58 16.52 -23 4 10 27.46 17.13 -23 4 10 39.17 16.93 23 -4 -10 35.81 17.60 23 4 -10 31.26 18.59 -23 -4 9 -1.38 17.09 -23 -4 9 31.16 16.62 -23 4 9 18.83 16.10 -23 4 9 9.07 14.78 23 -4 -9 -10.82 14.58 23 4 -9 3.13 15.52 -23 -4 8 -4.79 14.97 -23 -4 8 13.80 14.39 -23 -4 8 8.31 13.30 -23 4 8 9.88 15.37 -23 4 8 13.60 14.93 23 -4 -8 4.15 15.56 23 4 -8 5.14 15.81 -23 -4 7 -5.64 14.65 -23 -4 7 1.38 13.08 -23 -4 7 1.78 12.84 -23 4 7 -3.28 14.39 -23 4 7 0.83 13.64 23 -4 -7 4.16 16.23 23 4 -7 5.79 15.57 -23 -4 6 32.37 18.17 -23 -4 6 32.32 16.21 -23 -4 6 46.68 17.10 -23 4 6 62.73 19.58 -23 4 6 48.93 17.86 23 -4 -6 71.09 20.50 23 4 -6 57.96 19.94 -23 -4 5 -6.80 16.57 -23 -4 5 3.28 12.93 -23 -4 5 5.02 13.90 -23 4 5 -1.71 14.37 -23 4 5 -2.87 13.21 23 -4 -5 5.46 17.35 23 4 -5 -1.21 15.00 -23 -4 4 0.58 15.02 -23 -4 4 -9.91 12.48 -23 -4 4 0.31 14.02 -23 4 4 -1.73 14.67 -23 4 4 -10.92 12.11 23 -4 -4 8.45 16.66 23 4 -4 3.53 15.58 -23 -4 3 1.25 15.97 -23 -4 3 -2.19 11.96 -23 -4 3 9.66 15.18 -23 4 3 2.02 14.93 -23 4 3 -15.04 11.91 23 -4 -3 -5.98 17.37 23 4 -3 -20.41 13.87 -23 -4 2 20.50 17.33 -23 -4 2 21.98 16.81 -23 4 2 10.78 15.63 -23 4 2 21.04 15.54 23 -4 -2 19.14 17.67 23 4 -2 21.88 17.06 -23 -4 1 -13.50 17.20 -23 -4 1 10.94 15.49 -23 4 1 8.09 15.88 -23 4 1 5.45 13.91 23 -4 -1 3.06 16.88 23 4 -1 -14.03 15.03 -23 -4 0 24.54 17.71 -23 -4 0 27.43 17.50 -23 4 0 48.99 20.01 -23 4 0 44.88 17.28 23 -4 0 32.23 19.86 23 4 0 25.09 17.55 -23 -5 12 10.92 18.59 -23 -5 12 -0.44 13.63 -23 5 12 -6.70 14.78 -23 5 12 0.62 13.91 23 -5 -12 34.39 17.82 23 5 -12 6.68 16.81 -23 -5 11 -20.00 16.10 -23 -5 11 4.13 14.43 -23 5 11 0.83 14.95 -23 5 11 -0.41 13.34 23 -5 -11 -14.30 14.02 23 5 -11 4.03 16.29 -23 -5 10 0.80 17.04 -23 -5 10 -0.09 13.13 -23 5 10 -2.51 15.76 -23 5 10 1.36 14.10 23 -5 -10 1.00 14.78 23 5 -10 -4.86 15.54 -23 -5 9 7.19 18.75 -23 -5 9 19.55 14.77 -23 5 9 34.48 17.36 -23 5 9 30.89 16.64 23 -5 -9 37.13 19.88 23 5 -9 13.33 17.44 -23 -5 8 5.83 16.15 -23 -5 8 4.51 13.97 -23 5 8 17.19 16.39 -23 5 8 -1.48 13.95 23 -5 -8 -5.95 17.27 23 5 -8 4.54 17.17 -23 -5 7 7.07 16.33 -23 -5 7 12.67 14.59 -23 5 7 7.90 15.62 -23 5 7 -4.51 13.50 23 -5 -7 7.54 18.74 23 5 -7 16.29 18.08 -23 -5 6 -25.07 15.76 -23 -5 6 10.74 13.35 -23 -5 6 1.86 14.33 -23 5 6 4.71 15.72 -23 5 6 10.37 14.89 23 -5 -6 13.26 16.38 23 5 -6 1.45 17.25 -23 -5 5 -9.37 15.24 -23 -5 5 0.54 13.08 -23 -5 5 4.22 14.27 -23 5 5 3.42 15.96 -23 5 5 -1.80 13.42 23 -5 -5 -2.78 15.95 23 5 -5 -9.78 16.09 -23 -5 4 19.58 18.49 -23 -5 4 42.57 17.42 -23 5 4 15.15 16.07 -23 5 4 20.44 15.01 23 -5 -4 35.40 19.50 23 5 -4 -0.17 17.16 -23 -5 3 29.94 20.00 -23 -5 3 22.39 15.83 -23 5 3 21.43 17.25 -23 5 3 22.72 16.17 23 -5 -3 23.27 19.75 23 5 -3 32.07 18.84 -24 0 14 43.30 20.18 -24 0 14 51.16 18.97 24 0 -14 34.12 16.61 24 0 -14 63.46 20.08 -24 0 13 6.53 14.84 -24 0 13 20.43 15.57 -24 0 13 9.32 14.43 24 0 -13 -9.61 13.30 24 0 -13 -4.99 14.05 -24 0 12 10.47 16.42 -24 0 12 -0.63 14.22 -24 0 12 4.12 12.95 24 0 -12 1.47 15.19 24 0 -12 15.12 16.15 -24 0 11 -7.85 16.50 -24 0 11 -3.01 12.66 -24 0 11 1.76 13.94 24 0 -11 -0.23 14.28 24 0 -11 -11.28 13.46 -24 0 10 7.93 16.13 -24 0 10 -0.97 13.30 -24 0 10 1.21 13.12 24 0 -10 19.66 16.03 -24 0 9 -7.87 14.84 -24 0 9 -2.53 12.51 -24 0 9 -14.02 11.43 24 0 -9 28.89 16.57 -24 0 8 75.10 21.09 -24 0 8 52.12 17.71 -24 0 8 73.16 17.91 24 0 -8 280.29 30.06 -24 0 7 16.63 18.19 -24 0 7 -12.19 12.03 -24 0 7 2.83 13.12 24 0 -7 40.84 18.58 -24 0 6 13.98 18.01 -24 0 6 19.71 14.72 -24 0 6 -0.92 14.43 24 0 -6 56.17 19.60 -24 0 5 -1.94 15.69 -24 0 5 0.46 12.62 -24 0 5 -13.56 12.56 24 0 -5 12.43 15.94 -24 0 4 60.54 21.49 -24 0 4 57.27 17.64 -24 0 4 57.17 19.11 24 0 -4 71.56 19.69 -24 0 3 -14.42 14.68 -24 0 3 5.47 14.18 -24 0 3 -10.86 13.71 24 0 -3 -16.20 13.52 -24 0 2 26.30 17.72 -24 0 2 17.65 14.60 -24 0 2 24.95 16.66 24 0 -2 21.88 16.89 -24 0 1 -0.59 17.29 -24 0 1 -8.94 11.60 -24 0 1 1.66 15.65 24 0 -1 -8.09 14.62 -24 -1 14 17.79 15.99 -24 -1 14 7.29 14.09 -24 1 14 -8.08 15.14 -24 1 14 -6.13 12.72 24 -1 -14 -2.48 14.52 24 -1 -14 17.31 16.03 24 1 -14 0.52 15.12 -24 -1 13 -3.80 16.94 -24 -1 13 3.72 13.92 -24 1 13 4.20 17.43 -24 1 13 -11.08 13.30 24 -1 -13 10.34 14.45 24 -1 -13 8.42 15.04 24 -1 -13 -5.47 14.09 24 1 -13 2.22 14.41 -24 -1 12 17.48 16.70 -24 -1 12 17.12 15.10 -24 1 12 1.07 16.02 -24 1 12 -7.06 13.33 24 -1 -12 6.98 15.83 24 -1 -12 26.70 16.83 24 1 -12 22.93 16.26 -24 -1 11 19.46 17.29 -24 -1 11 15.73 15.15 -24 -1 11 10.08 14.16 -24 1 11 16.93 16.89 -24 1 11 12.52 15.07 24 -1 -11 9.52 13.73 24 -1 -11 26.66 16.19 24 1 -11 31.10 17.16 -24 -1 10 12.23 16.62 -24 -1 10 15.70 14.83 -24 -1 10 14.17 15.35 -24 1 10 -0.46 15.96 -24 1 10 31.06 15.96 24 -1 -10 30.16 16.97 24 -1 -10 26.72 16.28 24 1 -10 4.58 14.74 -24 -1 9 -2.07 16.92 -24 -1 9 3.61 13.17 -24 -1 9 -9.88 13.43 -24 1 9 -8.03 14.89 -24 1 9 -5.62 12.35 -24 1 9 -11.97 11.94 24 -1 -9 9.88 15.10 24 1 -9 -15.75 13.46 -24 -1 8 10.17 16.88 -24 -1 8 23.85 15.60 -24 -1 8 7.01 13.18 -24 1 8 16.56 16.82 -24 1 8 7.19 14.68 -24 1 8 14.83 14.68 24 -1 -8 8.51 14.69 24 1 -8 17.49 16.53 -24 -1 7 20.85 17.52 -24 -1 7 53.33 17.23 -24 -1 7 29.24 16.01 -24 1 7 29.64 18.86 -24 1 7 21.30 14.95 -24 1 7 4.70 14.97 24 -1 -7 19.06 15.86 24 1 -7 -2.35 15.14 -24 -1 6 65.27 20.47 -24 -1 6 55.97 17.55 -24 -1 6 81.45 18.59 -24 1 6 72.77 21.87 -24 1 6 71.12 19.05 -24 1 6 61.20 18.47 24 -1 -6 50.16 18.45 24 1 -6 65.67 21.09 -24 -1 5 11.78 19.07 -24 -1 5 -0.61 12.91 -24 -1 5 2.37 13.17 -24 1 5 2.11 15.82 -24 1 5 1.79 13.59 -24 1 5 23.70 15.45 24 -1 -5 4.26 14.59 24 1 -5 -1.26 15.90 -24 -1 4 8.86 17.16 -24 -1 4 -5.56 12.42 -24 -1 4 5.80 15.25 -24 1 4 9.21 17.67 -24 1 4 9.63 13.18 -24 1 4 -9.44 12.67 24 -1 -4 -11.28 13.65 24 1 -4 -25.09 12.66 -24 -1 3 -17.07 14.90 -24 -1 3 9.57 13.31 -24 -1 3 -5.36 12.75 -24 1 3 -10.70 14.15 -24 1 3 -2.38 12.58 -24 1 3 18.59 14.40 24 -1 -3 -13.79 13.24 24 1 -3 1.08 15.21 -24 -1 2 -14.49 14.99 -24 -1 2 16.25 13.89 -24 -1 2 10.99 14.79 -24 1 2 21.11 16.68 -24 1 2 11.41 15.52 -24 1 2 23.61 16.46 24 -1 -2 8.98 15.44 24 1 -2 8.57 16.38 -24 -2 13 30.33 17.85 -24 -2 13 8.20 15.14 -24 2 13 11.29 16.75 -24 2 13 23.41 16.48 24 -2 -13 13.01 17.12 24 -2 -13 18.28 16.43 24 2 -13 12.89 17.53 -24 -2 12 3.13 15.48 -24 -2 12 4.18 14.21 -24 2 12 -11.49 14.05 -24 2 12 -6.47 13.51 24 -2 -12 -9.59 14.91 24 -2 -12 -13.97 13.12 24 2 -12 -8.79 14.47 -24 -2 11 -4.49 15.62 -24 -2 11 1.95 14.77 -24 2 11 -12.41 15.87 -24 2 11 -3.44 13.37 24 -2 -11 -2.71 14.98 24 -2 -11 -23.42 13.92 24 -2 -11 1.44 14.39 24 2 -11 -7.85 15.54 -24 -2 10 28.31 18.34 -24 -2 10 21.72 15.14 -24 -2 10 17.94 15.08 -24 2 10 3.67 17.22 -24 2 10 21.68 15.76 24 -2 -10 25.95 16.01 24 -2 -10 0.94 15.75 24 -2 -10 13.23 15.51 24 2 -10 13.71 17.13 -24 -2 9 41.09 20.75 -24 -2 9 12.91 14.73 -24 -2 9 1.00 14.65 -24 2 9 48.45 18.49 -24 2 9 13.67 14.85 24 -2 -9 31.22 16.62 24 -2 -9 42.00 17.30 24 2 -9 8.19 17.23 -24 -2 8 32.17 18.29 -24 -2 8 13.88 14.24 -24 -2 8 47.53 17.04 -24 2 8 27.37 18.98 -24 2 8 7.54 14.21 24 -2 -8 23.43 17.97 24 -2 -8 25.43 16.12 24 2 -8 34.87 19.62 -24 -2 7 29.39 17.94 -24 -2 7 14.15 15.06 -24 -2 7 33.32 16.94 -24 2 7 5.33 15.55 -24 2 7 24.55 16.40 24 -2 -7 7.30 15.80 24 -2 -7 19.17 15.46 24 2 -7 25.70 18.70 -24 -2 6 0.73 15.84 -24 -2 6 -9.32 11.50 -24 -2 6 -1.92 13.31 -24 2 6 3.96 15.45 -24 2 6 14.85 14.80 24 -2 -6 -3.70 13.91 24 2 -6 -0.78 16.01 -24 -2 5 -21.00 16.13 -24 -2 5 -10.37 12.66 -24 -2 5 10.05 13.96 -24 2 5 20.62 18.53 -24 2 5 -2.25 13.58 -24 2 5 13.93 14.56 24 -2 -5 -4.91 13.77 24 2 -5 -6.10 15.71 -24 -2 4 -20.77 14.38 -24 -2 4 -2.50 12.12 -24 -2 4 12.87 14.58 -24 2 4 20.91 17.07 -24 2 4 7.53 14.37 -24 2 4 9.11 14.30 24 -2 -4 0.25 14.01 24 2 -4 -6.94 15.39 -24 -2 3 31.29 18.33 -24 -2 3 8.36 13.78 -24 -2 3 11.12 15.69 -24 2 3 4.77 17.30 -24 2 3 5.91 13.83 -24 2 3 20.31 15.64 24 -2 -3 20.56 16.03 24 2 -3 19.06 17.39 -24 -3 10 -14.37 14.99 -24 -3 10 1.61 13.98 -24 3 10 14.56 17.01 -24 3 10 -17.83 12.05 24 -3 -10 -5.59 14.75 24 -3 -10 -2.32 14.41 24 3 -10 5.49 15.92 -24 -3 9 7.71 18.32 -24 -3 9 5.07 13.77 -24 3 9 20.86 18.67 -24 3 9 0.97 14.01 24 -3 -9 39.96 18.77 24 -3 -9 27.88 17.57 24 3 -9 16.59 16.91 -24 -3 8 -9.05 15.36 -24 -3 8 -3.38 12.64 -24 -3 8 -10.44 13.17 -24 3 8 -1.91 15.55 -24 3 8 -14.23 11.99 24 -3 -8 3.00 15.86 24 -3 -8 1.61 14.90 24 3 -8 -7.47 14.38 -24 -3 7 22.00 17.47 -24 -3 7 12.83 14.51 -24 -3 7 7.75 15.11 -24 3 7 58.78 21.58 -24 3 7 28.00 15.88 24 -3 -7 34.72 17.02 24 -3 -7 -11.35 13.94 24 3 -7 26.69 17.36 -24 -3 6 11.16 17.76 -24 -3 6 -7.61 12.07 -24 -3 6 -4.07 13.84 -24 3 6 6.45 16.92 -24 3 6 15.17 15.80 24 -3 -6 -6.56 15.37 24 -3 -6 -9.31 13.60 24 3 -6 -2.07 14.80 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 93989 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn W W 0.49385(2) 0.17809(2) 0.34687(2) 0.01841(3) Uani 1 1 d . Cl1 Cl 0.43663(5) 0.03623(7) 0.26407(3) 0.02797(15) Uani 1 1 d . Cl2 Cl 0.52579(4) 0.24473(7) 0.45173(3) 0.02520(14) Uani 1 1 d . O1 O 0.37219(13) 0.1100(2) 0.37796(9) 0.0292(5) Uani 1 1 d . O2 O 0.51757(13) -0.02571(19) 0.39490(9) 0.0312(5) Uani 1 1 d . N1 N 0.44557(13) 0.3205(2) 0.31080(9) 0.0185(4) Uani 1 1 d . N2 N 0.59721(14) 0.1873(2) 0.33628(10) 0.0221(5) Uani 1 1 d . C1 C 0.3171(2) 0.2037(3) 0.39503(16) 0.0396(8) Uani 1 1 d . H1A H 0.310735 0.277425 0.366711 0.048(6) Uiso 1 1 d GR H1B H 0.341297 0.233337 0.437261 0.048(6) Uiso 1 1 d GR H1C H 0.261417 0.164676 0.392842 0.048(6) Uiso 1 1 d GR C2 C 0.3841(2) 0.0006(3) 0.41890(15) 0.0394(8) Uani 1 1 d . H2A H 0.328782 -0.040150 0.418494 0.047 Uiso 1 1 calc R H2B H 0.410241 0.028608 0.461589 0.047 Uiso 1 1 calc R C3 C 0.4406(2) -0.0935(3) 0.39740(15) 0.0392(8) Uani 1 1 d . H3A H 0.453557 -0.167285 0.426364 0.047 Uiso 1 1 calc R H3B H 0.412548 -0.127102 0.356058 0.047 Uiso 1 1 calc R C4 C 0.5770(2) -0.1110(3) 0.37619(17) 0.0453(9) Uani 1 1 d . H4A H 0.627551 -0.062081 0.373158 0.060(7) Uiso 1 1 d GR H4B H 0.550741 -0.148750 0.335918 0.060(7) Uiso 1 1 d GR H4C H 0.593101 -0.180071 0.406748 0.060(7) Uiso 1 1 d GR C5 C 0.44153(15) 0.4206(2) 0.26843(11) 0.0168(5) Uani 1 1 d . C6 C 0.38434(15) 0.4073(2) 0.21027(12) 0.0183(5) Uani 1 1 d . C7 C 0.38753(16) 0.4954(2) 0.16407(12) 0.0194(5) Uani 1 1 d . H7 H 0.351310 0.483035 0.124323 0.023 Uiso 1 1 calc R C8 C 0.44191(16) 0.6015(3) 0.17381(12) 0.0191(5) Uani 1 1 d . C9 C 0.49540(16) 0.6162(3) 0.23246(12) 0.0196(5) Uani 1 1 d . H9 H 0.531696 0.689342 0.240304 0.023 Uiso 1 1 calc R C10 C 0.49754(15) 0.5273(2) 0.28001(11) 0.0172(5) Uani 1 1 d . C11 C 0.32173(16) 0.2996(2) 0.19629(12) 0.0200(5) Uani 1 1 d . C12 C 0.25966(18) 0.2849(3) 0.22969(14) 0.0273(6) Uani 1 1 d . H12 H 0.257106 0.343612 0.261946 0.033 Uiso 1 1 calc R C13 C 0.20178(18) 0.1847(3) 0.21582(15) 0.0327(7) Uani 1 1 d . H13 H 0.159882 0.174446 0.238863 0.039 Uiso 1 1 calc R C14 C 0.20459(18) 0.0995(3) 0.16866(14) 0.0311(7) Uani 1 1 d . H14 H 0.164961 0.030495 0.159646 0.037 Uiso 1 1 calc R C15 C 0.26449(18) 0.1141(3) 0.13477(14) 0.0304(7) Uani 1 1 d . H15 H 0.265896 0.056344 0.101920 0.036 Uiso 1 1 calc R C16 C 0.32331(18) 0.2145(3) 0.14892(13) 0.0262(6) Uani 1 1 d . H16 H 0.364960 0.224455 0.125635 0.031 Uiso 1 1 calc R C17 C 0.44154(16) 0.6930(3) 0.12257(12) 0.0212(5) Uani 1 1 d . C18 C 0.44357(18) 0.6471(3) 0.06424(13) 0.0273(6) Uani 1 1 d . H18 H 0.447797 0.556785 0.057872 0.033 Uiso 1 1 calc R C19 C 0.4395(2) 0.7319(4) 0.01509(14) 0.0382(8) Uani 1 1 d . H19 H 0.441149 0.699047 -0.024379 0.046 Uiso 1 1 calc R C20 C 0.4331(2) 0.8620(3) 0.02327(15) 0.0398(8) Uani 1 1 d . H20 H 0.429651 0.919422 -0.010474 0.048 Uiso 1 1 calc R C21 C 0.4317(2) 0.9094(3) 0.08052(15) 0.0360(7) Uani 1 1 d . H21 H 0.427681 0.999934 0.086261 0.043 Uiso 1 1 calc R C22 C 0.43604(18) 0.8263(3) 0.13025(13) 0.0273(6) Uani 1 1 d . H22 H 0.435260 0.860593 0.169635 0.033 Uiso 1 1 calc R C23 C 0.56070(16) 0.5467(2) 0.33984(11) 0.0186(5) Uani 1 1 d . C24 C 0.53781(16) 0.5407(3) 0.39624(12) 0.0209(5) Uani 1 1 d . H24 H 0.481050 0.519920 0.396993 0.025 Uiso 1 1 calc R C25 C 0.59666(18) 0.5646(3) 0.45141(12) 0.0239(6) Uani 1 1 d . H25 H 0.579815 0.561084 0.489388 0.029 Uiso 1 1 calc R C26 C 0.67935(18) 0.5933(3) 0.45098(13) 0.0275(6) Uani 1 1 d . H26 H 0.719629 0.610017 0.488586 0.033 Uiso 1 1 calc R C27 C 0.70355(18) 0.5976(3) 0.39531(13) 0.0299(7) Uani 1 1 d . H27 H 0.760759 0.616149 0.394938 0.036 Uiso 1 1 calc R C28 C 0.64453(17) 0.5751(3) 0.34012(13) 0.0245(6) Uani 1 1 d . H28 H 0.661620 0.579049 0.302245 0.029 Uiso 1 1 calc R C29 C 0.67570(17) 0.2225(3) 0.32625(13) 0.0243(6) Uani 1 1 d . C30 C 0.7475(2) 0.2112(3) 0.37604(15) 0.0371(8) Uani 1 1 d . C31 C 0.8241(2) 0.2544(4) 0.36633(18) 0.0530(11) Uani 1 1 d . H31 H 0.873354 0.249338 0.399136 0.064 Uiso 1 1 calc R C32 C 0.8307(2) 0.3038(4) 0.3111(2) 0.0527(11) Uani 1 1 d . H32 H 0.884021 0.333926 0.306266 0.063 Uiso 1 1 calc R C33 C 0.7609(2) 0.3108(3) 0.26196(17) 0.0400(8) Uani 1 1 d . H33 H 0.766859 0.344281 0.223551 0.048 Uiso 1 1 calc R C34 C 0.68195(18) 0.2692(3) 0.26817(13) 0.0265(6) Uani 1 1 d . C35 C 0.7410(2) 0.1574(4) 0.43816(15) 0.0459(10) Uani 1 1 d . H35 H 0.680826 0.130257 0.434433 0.055 Uiso 1 1 calc R C36 C 0.7965(3) 0.0388(4) 0.45562(19) 0.0663(13) Uani 1 1 d . H36A H 0.856083 0.062824 0.460424 0.073(8) Uiso 1 1 d GR H36B H 0.780805 -0.026525 0.423120 0.073(8) Uiso 1 1 d GR H36C H 0.788380 0.003449 0.494610 0.073(8) Uiso 1 1 d GR C37 C 0.7620(3) 0.2586(5) 0.48810(18) 0.0702(14) Uani 1 1 d . H37A H 0.722001 0.330657 0.477880 0.062(7) Uiso 1 1 d GR H37B H 0.819812 0.290248 0.491269 0.062(7) Uiso 1 1 d GR H37C H 0.758053 0.220677 0.527570 0.062(7) Uiso 1 1 d GR C38 C 0.60573(19) 0.2691(3) 0.21414(13) 0.0351(7) Uani 1 1 d . H38 H 0.554861 0.289676 0.230436 0.042 Uiso 1 1 calc R C39 C 0.5931(2) 0.1344(4) 0.18608(16) 0.0518(11) Uani 1 1 d . H39A H 0.584709 0.072547 0.217375 0.051(6) Uiso 1 1 d GR H39B H 0.643370 0.109797 0.171496 0.051(6) Uiso 1 1 d GR H39C H 0.543250 0.134008 0.151325 0.051(6) Uiso 1 1 d GR C40 C 0.6101(3) 0.3686(4) 0.16507(17) 0.0611(13) Uani 1 1 d . H40A H 0.653164 0.342458 0.143174 0.072(8) Uiso 1 1 d GR H40B H 0.625334 0.452908 0.184614 0.072(8) Uiso 1 1 d GR H40C H 0.554884 0.374819 0.135744 0.072(8) Uiso 1 1 d GR 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 W 0.02571(5) 0.01481(5) 0.01501(5) 0.00094(5) 0.00543(3) 0.00005(5) Cl1 0.0416(4) 0.0213(3) 0.0193(3) -0.0027(3) 0.0039(3) -0.0036(3) Cl2 0.0367(4) 0.0230(3) 0.0161(3) -0.0009(3) 0.0064(3) -0.0014(3) O1 0.0349(11) 0.0287(11) 0.0258(11) 0.0020(9) 0.0106(9) -0.0082(9) O2 0.0492(13) 0.0165(10) 0.0252(11) 0.0028(8) 0.0032(9) -0.0010(9) N1 0.0227(10) 0.0158(10) 0.0170(10) -0.0024(9) 0.0049(8) -0.0027(9) N2 0.0295(12) 0.0209(12) 0.0154(10) -0.0019(9) 0.0043(9) 0.0041(10) C1 0.0318(17) 0.049(2) 0.042(2) -0.0027(16) 0.0166(14) -0.0077(15) C2 0.051(2) 0.039(2) 0.0291(17) 0.0087(14) 0.0123(15) -0.0185(16) C3 0.066(2) 0.0221(16) 0.0262(16) 0.0091(13) 0.0032(15) -0.0140(15) C4 0.063(2) 0.0194(16) 0.049(2) 0.0002(15) 0.0038(18) 0.0121(16) C5 0.0172(12) 0.0167(13) 0.0169(12) 0.0008(10) 0.0045(9) 0.0013(9) C6 0.0172(12) 0.0175(13) 0.0200(13) 0.0000(10) 0.0040(10) -0.0014(10) C7 0.0175(12) 0.0200(13) 0.0195(13) -0.0015(10) 0.0022(10) -0.0014(10) C8 0.0212(13) 0.0185(13) 0.0186(13) 0.0017(10) 0.0066(10) 0.0001(10) C9 0.0207(13) 0.0169(13) 0.0216(13) 0.0005(10) 0.0058(10) -0.0019(10) C10 0.0188(12) 0.0155(12) 0.0174(12) -0.0012(10) 0.0045(9) 0.0008(10) C11 0.0181(12) 0.0203(14) 0.0193(13) 0.0061(10) -0.0002(9) -0.0025(10) C12 0.0246(14) 0.0266(15) 0.0308(16) 0.0004(12) 0.0069(12) -0.0038(11) C13 0.0251(14) 0.0333(17) 0.0407(18) 0.0058(15) 0.0099(12) -0.0052(13) C14 0.0254(15) 0.0272(16) 0.0353(17) 0.0068(13) -0.0035(12) -0.0111(12) C15 0.0317(16) 0.0293(16) 0.0265(15) -0.0021(13) -0.0007(12) -0.0106(13) C16 0.0260(14) 0.0285(16) 0.0230(14) -0.0011(11) 0.0036(11) -0.0084(11) C17 0.0203(12) 0.0234(14) 0.0179(12) 0.0020(11) 0.0008(10) -0.0055(11) C18 0.0313(15) 0.0288(17) 0.0212(14) -0.0031(11) 0.0048(11) -0.0093(12) C19 0.0455(19) 0.049(2) 0.0189(15) 0.0005(14) 0.0046(13) -0.0194(16) C20 0.048(2) 0.0365(19) 0.0299(17) 0.0148(14) 0.0002(14) -0.0178(15) C21 0.0427(18) 0.0210(15) 0.0400(19) 0.0078(14) 0.0015(14) -0.0068(13) C22 0.0350(15) 0.0225(14) 0.0225(13) -0.0006(12) 0.0026(11) -0.0048(13) C23 0.0212(12) 0.0154(12) 0.0186(12) -0.0005(10) 0.0033(10) 0.0016(10) C24 0.0224(13) 0.0183(13) 0.0224(13) -0.0001(11) 0.0064(10) 0.0002(10) C25 0.0324(15) 0.0222(14) 0.0176(13) -0.0002(11) 0.0066(11) 0.0011(11) C26 0.0292(15) 0.0278(16) 0.0211(14) -0.0017(12) -0.0028(11) 0.0033(12) C27 0.0188(13) 0.0409(19) 0.0285(16) -0.0003(13) 0.0024(11) 0.0009(12) C28 0.0245(14) 0.0285(16) 0.0209(14) -0.0019(11) 0.0061(11) 0.0014(11) C29 0.0241(14) 0.0218(14) 0.0265(15) -0.0060(11) 0.0051(11) 0.0052(11) C30 0.0279(16) 0.045(2) 0.0335(17) -0.0123(14) -0.0021(13) 0.0124(14) C31 0.0250(17) 0.074(3) 0.054(2) -0.027(2) -0.0025(16) 0.0091(18) C32 0.0286(17) 0.056(3) 0.078(3) -0.027(2) 0.0218(18) -0.0065(16) C33 0.0351(17) 0.0383(19) 0.054(2) -0.0077(17) 0.0249(15) -0.0004(15) C34 0.0267(14) 0.0242(15) 0.0303(16) -0.0029(12) 0.0101(12) 0.0045(12) C35 0.046(2) 0.058(3) 0.0265(16) -0.0063(16) -0.0061(14) 0.0286(18) C36 0.064(3) 0.076(3) 0.054(3) 0.004(2) 0.005(2) 0.043(2) C37 0.094(4) 0.075(3) 0.033(2) -0.011(2) -0.003(2) 0.020(3) C38 0.0297(16) 0.056(2) 0.0225(15) 0.0033(14) 0.0125(12) 0.0100(15) C39 0.041(2) 0.084(3) 0.0328(19) -0.0229(19) 0.0126(15) -0.0170(19) C40 0.074(3) 0.083(3) 0.036(2) 0.022(2) 0.031(2) 0.037(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -1.00 1.00 0.00 0.0300 1.00 -1.00 -1.00 0.0300 1.00 0.00 2.00 0.0600 1.00 1.00 -1.00 0.0200 -2.00 -1.00 1.00 0.0200 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle Cl1 W Cl2 154.33(2) O1 W Cl1 80.90(5) O1 W Cl2 78.48(5) O1 W O2 69.88(7) O2 W Cl1 78.00(5) O2 W Cl2 80.66(5) N1 W Cl1 96.38(7) N1 W Cl2 100.15(7) N1 W O1 94.06(8) N1 W O2 163.54(9) N2 W Cl1 98.10(7) N2 W Cl2 97.06(7) N2 W O1 162.66(9) N2 W O2 92.91(9) N2 W N1 103.24(10) C1 O1 W 119.78(18) C1 O1 C2 111.3(2) C2 O1 W 115.26(18) C3 O2 W 113.70(17) C4 O2 W 117.76(18) C4 O2 C3 111.0(2) C5 N1 W 150.68(18) C29 N2 W 167.8(2) O1 C2 C3 108.1(2) O2 C3 C2 107.3(2) N1 C5 C6 117.8(2) N1 C5 C10 122.1(2) C6 C5 C10 119.9(2) C5 C6 C11 122.2(2) C7 C6 C5 119.2(2) C7 C6 C11 118.6(2) C6 C7 C8 122.4(2) C7 C8 C9 117.6(2) C7 C8 C17 119.7(2) C9 C8 C17 122.7(2) C8 C9 C10 122.5(2) C5 C10 C23 123.0(2) C9 C10 C5 118.3(2) C9 C10 C23 118.6(2) C12 C11 C6 120.8(2) C16 C11 C6 120.2(2) C16 C11 C12 119.0(2) C13 C12 C11 120.0(3) C14 C13 C12 120.4(3) C15 C14 C13 120.2(3) C14 C15 C16 119.5(3) C11 C16 C15 120.8(3) C18 C17 C8 120.3(3) C18 C17 C22 117.9(2) C22 C17 C8 121.7(2) C17 C18 C19 120.8(3) C20 C19 C18 120.5(3) C19 C20 C21 119.6(3) C20 C21 C22 120.8(3) C21 C22 C17 120.4(3) C24 C23 C10 121.9(2) C28 C23 C10 119.9(2) C28 C23 C24 118.3(2) C25 C24 C23 121.1(2) C26 C25 C24 120.0(3) C25 C26 C27 119.7(3) C26 C27 C28 120.3(3) C27 C28 C23 120.6(3) N2 C29 C30 118.0(3) N2 C29 C34 120.3(2) C34 C29 C30 121.8(3) C29 C30 C35 121.7(3) C31 C30 C29 117.1(3) C31 C30 C35 121.2(3) C32 C31 C30 121.8(3) C31 C32 C33 120.9(3) C32 C33 C34 120.6(3) C29 C34 C38 120.7(3) C33 C34 C29 117.8(3) C33 C34 C38 121.5(3) C36 C35 C30 111.4(3) C37 C35 C30 111.5(3) C37 C35 C36 110.7(3) C34 C38 C39 109.5(3) C34 C38 C40 114.0(3) C40 C38 C39 110.5(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance W Cl1 2.3704(7) W Cl2 2.3753(7) W O1 2.3499(19) W O2 2.355(2) W N1 1.771(2) W N2 1.751(2) O1 C1 1.431(4) O1 C2 1.438(4) O2 C3 1.446(4) O2 C4 1.439(4) N1 C5 1.393(3) N2 C29 1.393(4) C2 C3 1.492(5) C5 C6 1.413(3) C5 C10 1.415(3) C6 C7 1.386(4) C6 C11 1.491(3) C7 C8 1.393(3) C8 C9 1.397(4) C8 C17 1.483(4) C9 C10 1.398(4) C10 C23 1.492(3) C11 C12 1.395(4) C11 C16 1.380(4) C12 C13 1.384(4) C13 C14 1.381(4) C14 C15 1.373(4) C15 C16 1.396(4) C17 C18 1.393(4) C17 C22 1.396(4) C18 C19 1.394(4) C19 C20 1.365(5) C20 C21 1.373(5) C21 C22 1.391(4) C23 C24 1.394(3) C23 C28 1.391(4) C24 C25 1.391(4) C25 C26 1.377(4) C26 C27 1.388(4) C27 C28 1.390(4) C29 C30 1.413(4) C29 C34 1.408(4) C30 C31 1.384(5) C30 C35 1.520(5) C31 C32 1.362(6) C32 C33 1.380(5) C33 C34 1.389(4) C34 C38 1.510(4) C35 C36 1.518(5) C35 C37 1.508(5) C38 C39 1.522(5) C38 C40 1.516(5)