#============================================================================== data_global loop_ _journal_name_full 'European Journal of Chemistry' _journal_coden_ASTM EJCUA9 _journal_volume 12 _journal_issue 4 _journal_year 2021 _journal_page_first 389 _journal_page_last 393 #============================================================================== data_shelxl _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C27.72 H16 F6.85 N4 O7.15 P0.28 Ru S1.72' _chemical_formula_weight 814.52 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' 'F' 'F' 0.0171 0.0103 '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' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/c' _space_group_name_Hall '-P 2ybc' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.0106(2) _cell_length_b 17.5914(3) _cell_length_c 12.8315(2) _cell_angle_alpha 90 _cell_angle_beta 92.9715(7) _cell_angle_gamma 90 _cell_volume 2932.85(9) _cell_formula_units_Z 4 _cell_measurement_temperature 113(2) _cell_measurement_reflns_used 27727 _cell_measurement_theta_min 3.13 _cell_measurement_theta_max 27.51 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.845 _exptl_crystal_F_000 1620 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.150 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.100 _exptl_absorpt_coefficient_mu 0.772 _shelx_estimated_absorpt_T_min 0.893 _shelx_estimated_absorpt_T_max 0.927 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.832 _exptl_absorpt_correction_T_max 0.926 _exptl_absorpt_process_details 'REQAB (Rigaku, 1998)' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 113(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_source 0.71075 _diffrn_measurement_device_type 'Rigaku Saturn70' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 7.143 _diffrn_reflns_number 30123 _diffrn_reflns_av_unetI/netI 0.0138 _diffrn_reflns_av_R_equivalents 0.0181 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 3.136 _diffrn_reflns_theta_max 27.484 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measured_fraction_theta_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_point_group_measured_fraction_full 0.997 _reflns_number_total 6728 _reflns_number_gt 6241 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+2.9771P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 6728 _refine_ls_number_parameters 471 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0299 _refine_ls_R_factor_gt 0.0268 _refine_ls_wR_factor_ref 0.0711 _refine_ls_wR_factor_gt 0.0693 _refine_ls_goodness_of_fit_ref 0.997 _refine_ls_restrained_S_all 0.997 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 S2 S 0.38967(5) 0.11235(5) 0.67981(5) 0.0231(2) Uani 0.723(3) 1 d . . P A 1 F4 F 0.53249(14) 0.03053(13) 0.77907(15) 0.0413(5) Uani 0.723(3) 1 d . . P A 1 F5 F 0.45730(14) -0.02480(12) 0.64688(16) 0.0366(4) Uani 0.723(3) 1 d . . P A 1 F6 F 0.37847(17) -0.01211(14) 0.78866(19) 0.0425(5) Uani 0.723(3) 1 d . . P A 1 O6 O 0.3714(10) 0.1511(6) 0.7752(9) 0.0379(19) Uani 0.723(3) 1 d . . P A 1 O7 O 0.3004(6) 0.0885(5) 0.6187(6) 0.0377(12) Uani 0.723(3) 1 d . . P A 1 O8 O 0.4678(6) 0.1429(4) 0.6174(6) 0.0451(17) Uani 0.723(3) 1 d . . P A 1 C28 C 0.4429(2) 0.02238(16) 0.7263(2) 0.0279(6) Uani 0.723(3) 1 d . . P A 1 P1 P 0.41143(17) 0.07739(17) 0.69509(16) 0.0270(6) Uiso 0.277(3) 1 d . . P A 2 F7 F 0.5176(4) 0.0784(4) 0.7632(4) 0.0445(14) Uiso 0.277(3) 1 d . . P A 2 F8 F 0.4546(4) 0.0149(4) 0.6194(4) 0.0407(13) Uiso 0.277(3) 1 d . . P A 2 F9 F 0.3654(5) 0.0144(4) 0.7676(5) 0.0443(17) Uiso 0.277(3) 1 d . . P A 2 F10 F 0.367(2) 0.1466(15) 0.766(2) 0.044(6) Uiso 0.277(3) 1 d . . P A 2 F11 F 0.3009(15) 0.0776(11) 0.6303(14) 0.037(3) Uiso 0.277(3) 1 d . . P A 2 F12 F 0.4558(12) 0.1458(11) 0.6227(14) 0.041(4) Uiso 0.277(3) 1 d . . P A 2 Ru1 Ru 0.20459(2) 0.16389(2) 0.34383(2) 0.02001(5) Uani 1 1 d . . . . . S1 S -0.14046(5) 0.16209(3) 0.02639(5) 0.03477(12) Uani 1 1 d . . . . . F1 F -0.26105(17) 0.08582(10) -0.10538(18) 0.0848(7) Uani 1 1 d . . . . . F2 F -0.1052(2) 0.09019(12) -0.14591(14) 0.0827(6) Uani 1 1 d . . . . . F3 F -0.2015(2) 0.18874(11) -0.16777(17) 0.0962(9) Uani 1 1 d . . . . . O1 O 0.14193(13) 0.32510(8) 0.28777(12) 0.0348(3) Uani 1 1 d . . . . . O2 O 0.19587(13) 0.22622(9) 0.56283(11) 0.0355(3) Uani 1 1 d . . . . . O3 O -0.23036(17) 0.19955(12) 0.0614(2) 0.0729(7) Uani 1 1 d . . . . . O4 O -0.11204(14) 0.09255(10) 0.07934(13) 0.0424(4) Uani 1 1 d . . . . . O5 O -0.05541(14) 0.21190(10) 0.00900(15) 0.0480(4) Uani 1 1 d . . . . . N1 N 0.22656(12) 0.04862(9) 0.38463(12) 0.0216(3) Uani 1 1 d . . . . . N2 N 0.05280(12) 0.12719(9) 0.34443(12) 0.0219(3) Uani 1 1 d . . . . . N3 N 0.21516(12) 0.12664(9) 0.18815(12) 0.0224(3) Uani 1 1 d . . . . . N4 N 0.36119(12) 0.18049(10) 0.32420(13) 0.0254(3) Uani 1 1 d . . . . . C1 C 0.16947(15) 0.26536(11) 0.30412(14) 0.0257(4) Uani 1 1 d . . . . . C2 C 0.20157(15) 0.19973(11) 0.48346(15) 0.0255(4) Uani 1 1 d . . . . . C3 C 0.31327(15) 0.01199(12) 0.40838(15) 0.0273(4) Uani 1 1 d . . . . . H1 H 0.375815 0.039931 0.413634 0.033 Uiso 1 1 calc R U . . . C4 C 0.31630(16) -0.06664(12) 0.42611(16) 0.0314(4) Uani 1 1 d . . . . . H2 H 0.380143 -0.091283 0.442161 0.038 Uiso 1 1 calc R U . . . C5 C 0.22704(17) -0.10766(11) 0.42020(16) 0.0293(4) Uani 1 1 d . . . . . H3 H 0.228481 -0.161126 0.430624 0.035 Uiso 1 1 calc R U . . . C6 C 0.13290(15) -0.06999(11) 0.39853(14) 0.0248(4) Uani 1 1 d . . . . . C7 C 0.13656(14) 0.00867(10) 0.38067(13) 0.0215(3) Uani 1 1 d . . . . . C8 C 0.03490(17) -0.10702(11) 0.39490(16) 0.0292(4) Uani 1 1 d . . . . . H4 H 0.031399 -0.160301 0.406225 0.035 Uiso 1 1 calc R U . . . C9 C -0.05288(16) -0.06704(12) 0.37554(15) 0.0286(4) Uani 1 1 d . . . . . H5 H -0.117111 -0.092800 0.374203 0.034 Uiso 1 1 calc R U . . . C10 C -0.05115(15) 0.01322(11) 0.35701(14) 0.0253(4) Uani 1 1 d . . . . . C11 C 0.04425(14) 0.05041(11) 0.35960(14) 0.0218(3) Uani 1 1 d . . . . . C12 C -0.13980(15) 0.05723(13) 0.33734(16) 0.0296(4) Uani 1 1 d . . . . . H6 H -0.205790 0.033980 0.333553 0.036 Uiso 1 1 calc R U . . . C13 C -0.13044(16) 0.13386(13) 0.32365(17) 0.0316(4) Uani 1 1 d . . . . . H7 H -0.190147 0.164306 0.311373 0.038 Uiso 1 1 calc R U . . . C14 C -0.03297(15) 0.16748(11) 0.32772(16) 0.0269(4) Uani 1 1 d . . . . . H8 H -0.027827 0.220874 0.318244 0.032 Uiso 1 1 calc R U . . . C15 C 0.43252(16) 0.20771(12) 0.39254(17) 0.0318(4) Uani 1 1 d . . . . . H9 H 0.413169 0.220487 0.460737 0.038 Uiso 1 1 calc R U . . . C16 C 0.53496(17) 0.21812(15) 0.36738(19) 0.0396(5) Uani 1 1 d . . . . . H10 H 0.583919 0.237725 0.417921 0.047 Uiso 1 1 calc R U . . . C17 C 0.56391(17) 0.20009(15) 0.2705(2) 0.0414(5) Uani 1 1 d . . . . . H11 H 0.632907 0.208263 0.252320 0.050 Uiso 1 1 calc R U . . . C18 C 0.49174(16) 0.16927(14) 0.19683(18) 0.0349(5) Uani 1 1 d . . . . . C19 C 0.39033(15) 0.16075(11) 0.22715(16) 0.0275(4) Uani 1 1 d . . . . . C20 C 0.51583(18) 0.14615(16) 0.09406(19) 0.0428(6) Uani 1 1 d . . . . . H12 H 0.584357 0.151303 0.072842 0.051 Uiso 1 1 calc R U . . . C21 C 0.44297(18) 0.11716(16) 0.02668(18) 0.0410(6) Uani 1 1 d . . . . . H13 H 0.461479 0.101790 -0.040802 0.049 Uiso 1 1 calc R U . . . C22 C 0.33838(16) 0.10903(13) 0.05459(16) 0.0311(4) Uani 1 1 d . . . . . C23 C 0.31298(15) 0.13099(11) 0.15525(14) 0.0253(4) Uani 1 1 d . . . . . C24 C 0.25798(18) 0.08110(13) -0.01297(16) 0.0341(5) Uani 1 1 d . . . . . H14 H 0.271844 0.064606 -0.081332 0.041 Uiso 1 1 calc R U . . . C25 C 0.16013(17) 0.07793(12) 0.02055(16) 0.0305(4) Uani 1 1 d . . . . . H15 H 0.105421 0.059881 -0.024753 0.037 Uiso 1 1 calc R U . . . C26 C 0.14073(15) 0.10144(11) 0.12209(15) 0.0245(4) Uani 1 1 d . . . . . H16 H 0.072284 0.099276 0.144374 0.029 Uiso 1 1 calc R U . . . C27 C -0.1797(3) 0.13001(15) -0.1046(2) 0.0533(7) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S2 0.0236(3) 0.0222(4) 0.0238(3) 0.0008(3) 0.0025(2) 0.0044(3) F4 0.0328(9) 0.0474(12) 0.0428(11) 0.0061(9) -0.0077(8) 0.0096(8) F5 0.0377(10) 0.0288(10) 0.0441(11) -0.0063(8) 0.0093(8) 0.0075(7) F6 0.0404(11) 0.0368(12) 0.0519(13) 0.0161(10) 0.0183(9) 0.0112(9) O6 0.044(3) 0.039(3) 0.032(2) -0.0113(17) 0.0055(17) 0.0120(15) O7 0.0301(17) 0.044(3) 0.038(2) 0.001(2) -0.0128(14) 0.0080(17) O8 0.043(2) 0.041(2) 0.054(3) 0.0222(14) 0.0237(18) 0.0159(17) C28 0.0250(13) 0.0279(14) 0.0310(14) 0.0031(11) 0.0041(10) 0.0068(10) Ru1 0.02206(8) 0.02038(8) 0.01764(8) 0.00160(5) 0.00142(5) -0.00162(5) S1 0.0379(3) 0.0269(3) 0.0396(3) -0.0050(2) 0.0028(2) -0.0015(2) F1 0.0910(14) 0.0475(10) 0.1092(16) 0.0140(10) -0.0588(13) -0.0265(10) F2 0.137(2) 0.0733(13) 0.0382(9) -0.0134(9) 0.0095(11) 0.0030(13) F3 0.146(2) 0.0529(11) 0.0824(14) 0.0318(10) -0.0663(15) -0.0260(12) O1 0.0440(9) 0.0274(8) 0.0329(8) 0.0062(6) 0.0014(7) 0.0036(6) O2 0.0518(9) 0.0306(8) 0.0243(7) -0.0036(6) 0.0038(6) -0.0030(7) O3 0.0557(12) 0.0436(11) 0.122(2) -0.0204(12) 0.0311(13) 0.0033(9) O4 0.0573(10) 0.0359(9) 0.0332(8) 0.0005(7) -0.0041(7) -0.0029(8) O5 0.0477(10) 0.0393(9) 0.0564(11) 0.0001(8) -0.0036(8) -0.0125(8) N1 0.0237(7) 0.0235(8) 0.0178(7) 0.0013(6) 0.0037(6) 0.0005(6) N2 0.0235(7) 0.0239(8) 0.0186(7) -0.0005(6) 0.0039(6) -0.0002(6) N3 0.0253(8) 0.0216(7) 0.0204(7) 0.0028(6) 0.0020(6) 0.0005(6) N4 0.0241(8) 0.0279(8) 0.0240(8) 0.0060(6) -0.0003(6) -0.0028(6) C1 0.0279(9) 0.0293(10) 0.0200(9) 0.0015(7) 0.0004(7) -0.0036(8) C2 0.0302(9) 0.0206(9) 0.0258(10) 0.0034(7) 0.0015(7) -0.0039(7) C3 0.0250(9) 0.0320(10) 0.0250(9) 0.0041(8) 0.0042(7) 0.0020(8) C4 0.0315(10) 0.0331(11) 0.0302(10) 0.0055(8) 0.0078(8) 0.0099(8) C5 0.0387(11) 0.0235(9) 0.0265(10) 0.0021(7) 0.0085(8) 0.0051(8) C6 0.0327(10) 0.0231(9) 0.0192(8) -0.0018(7) 0.0077(7) -0.0009(7) C7 0.0258(9) 0.0235(9) 0.0156(8) -0.0008(6) 0.0050(6) -0.0019(7) C8 0.0389(11) 0.0240(9) 0.0255(9) -0.0030(7) 0.0082(8) -0.0055(8) C9 0.0320(10) 0.0297(10) 0.0248(9) -0.0042(8) 0.0069(8) -0.0091(8) C10 0.0271(9) 0.0307(10) 0.0184(8) -0.0051(7) 0.0040(7) -0.0040(8) C11 0.0252(9) 0.0248(9) 0.0158(8) -0.0025(7) 0.0043(6) -0.0013(7) C12 0.0230(9) 0.0392(11) 0.0268(10) -0.0046(8) 0.0026(7) -0.0045(8) C13 0.0234(9) 0.0400(11) 0.0314(10) -0.0007(9) 0.0012(8) 0.0038(8) C14 0.0271(10) 0.0277(10) 0.0261(10) 0.0000(7) 0.0028(7) 0.0026(7) C15 0.0310(10) 0.0340(11) 0.0299(10) 0.0044(8) -0.0050(8) -0.0042(8) C16 0.0264(10) 0.0491(14) 0.0421(12) 0.0091(10) -0.0086(9) -0.0066(9) C17 0.0225(10) 0.0561(15) 0.0454(13) 0.0130(11) -0.0005(9) -0.0038(10) C18 0.0248(10) 0.0474(13) 0.0327(11) 0.0135(9) 0.0025(8) 0.0007(9) C19 0.0252(9) 0.0324(10) 0.0249(9) 0.0089(8) 0.0020(7) 0.0012(8) C20 0.0268(10) 0.0684(17) 0.0341(12) 0.0160(11) 0.0098(9) 0.0061(10) C21 0.0335(11) 0.0645(16) 0.0258(10) 0.0088(10) 0.0099(9) 0.0098(11) C22 0.0315(10) 0.0400(11) 0.0223(9) 0.0073(8) 0.0048(8) 0.0065(8) C23 0.0255(9) 0.0285(10) 0.0218(9) 0.0064(7) 0.0020(7) 0.0021(7) C24 0.0435(12) 0.0385(12) 0.0206(9) -0.0006(8) 0.0043(8) 0.0065(9) C25 0.0382(11) 0.0300(10) 0.0230(9) -0.0019(8) -0.0019(8) -0.0005(8) C26 0.0270(9) 0.0241(9) 0.0224(9) 0.0015(7) 0.0013(7) -0.0018(7) C27 0.0734(19) 0.0338(13) 0.0499(15) 0.0080(11) -0.0237(14) -0.0083(13) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 S2 O7 1.429(7) . ? S2 O8 1.430(7) . ? S2 O6 1.431(10) . ? S2 C28 1.816(3) . ? F4 C28 1.325(3) . ? F5 C28 1.335(3) . ? F6 C28 1.334(3) . ? P1 F9 1.584(8) . ? P1 F8 1.589(6) . ? P1 F7 1.596(6) . ? P1 F11 1.624(18) . ? P1 F12 1.643(19) . ? P1 F10 1.64(2) . ? Ru1 C2 1.902(2) . ? Ru1 C1 1.905(2) . ? Ru1 N2 2.0780(16) . ? Ru1 N4 2.0864(16) . ? Ru1 N1 2.1100(16) . ? Ru1 N3 2.1135(16) . ? S1 O3 1.435(2) . ? S1 O5 1.4379(18) . ? S1 O4 1.4383(17) . ? S1 C27 1.821(3) . ? F1 C27 1.313(3) . ? F2 C27 1.328(4) . ? F3 C27 1.334(3) . ? O1 C1 1.127(2) . ? O2 C2 1.126(2) . ? N1 C3 1.321(2) . ? N1 C7 1.364(2) . ? N2 C14 1.330(2) . ? N2 C11 1.370(2) . ? N3 C26 1.330(2) . ? N3 C23 1.364(2) . ? N4 C15 1.332(3) . ? N4 C19 1.365(3) . ? C3 C4 1.402(3) . ? C3 H1 0.9500 . ? C4 C5 1.366(3) . ? C4 H2 0.9500 . ? C5 C6 1.408(3) . ? C5 H3 0.9500 . ? C6 C7 1.404(3) . ? C6 C8 1.430(3) . ? C7 C11 1.422(3) . ? C8 C9 1.353(3) . ? C8 H4 0.9500 . ? C9 C10 1.432(3) . ? C9 H5 0.9500 . ? C10 C12 1.401(3) . ? C10 C11 1.402(3) . ? C12 C13 1.366(3) . ? C12 H6 0.9500 . ? C13 C14 1.398(3) . ? C13 H7 0.9500 . ? C14 H8 0.9500 . ? C15 C16 1.400(3) . ? C15 H9 0.9500 . ? C16 C17 1.356(4) . ? C16 H10 0.9500 . ? C17 C18 1.406(3) . ? C17 H11 0.9500 . ? C18 C19 1.403(3) . ? C18 C20 1.430(3) . ? C19 C23 1.429(3) . ? C20 C21 1.350(4) . ? C20 H12 0.9500 . ? C21 C22 1.432(3) . ? C21 H13 0.9500 . ? C22 C23 1.404(3) . ? C22 C24 1.412(3) . ? C24 C25 1.366(3) . ? C24 H14 0.9500 . ? C25 C26 1.402(3) . ? C25 H15 0.9500 . ? C26 H16 0.9500 . ? 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 O7 S2 O8 112.6(5) . . ? O7 S2 O6 116.2(6) . . ? O8 S2 O6 117.0(6) . . ? O7 S2 C28 102.1(3) . . ? O8 S2 C28 104.0(3) . . ? O6 S2 C28 102.2(5) . . ? F4 C28 F6 107.8(2) . . ? F4 C28 F5 107.6(2) . . ? F6 C28 F5 107.0(2) . . ? F4 C28 S2 112.6(2) . . ? F6 C28 S2 110.6(2) . . ? F5 C28 S2 110.9(2) . . ? F9 P1 F8 91.8(4) . . ? F9 P1 F7 91.7(4) . . ? F8 P1 F7 91.1(3) . . ? F9 P1 F11 87.2(7) . . ? F8 P1 F11 91.2(7) . . ? F7 P1 F11 177.5(8) . . ? F9 P1 F12 177.2(7) . . ? F8 P1 F12 90.9(6) . . ? F7 P1 F12 88.9(6) . . ? F11 P1 F12 92.1(9) . . ? F9 P1 F10 92.2(10) . . ? F8 P1 F10 175.7(11) . . ? F7 P1 F10 90.3(11) . . ? F11 P1 F10 87.5(13) . . ? F12 P1 F10 85.1(12) . . ? C2 Ru1 C1 85.69(8) . . ? C2 Ru1 N2 91.92(7) . . ? C1 Ru1 N2 94.43(7) . . ? C2 Ru1 N4 97.77(8) . . ? C1 Ru1 N4 93.37(7) . . ? N2 Ru1 N4 167.98(6) . . ? C2 Ru1 N1 95.40(7) . . ? C1 Ru1 N1 173.82(7) . . ? N2 Ru1 N1 79.46(6) . . ? N4 Ru1 N1 92.51(6) . . ? C2 Ru1 N3 177.16(7) . . ? C1 Ru1 N3 93.68(7) . . ? N2 Ru1 N3 90.90(6) . . ? N4 Ru1 N3 79.49(6) . . ? N1 Ru1 N3 85.53(6) . . ? O3 S1 O5 114.53(12) . . ? O3 S1 O4 115.89(14) . . ? O5 S1 O4 114.24(11) . . ? O3 S1 C27 103.72(16) . . ? O5 S1 C27 103.10(13) . . ? O4 S1 C27 103.03(11) . . ? C3 N1 C7 118.58(17) . . ? C3 N1 Ru1 128.98(13) . . ? C7 N1 Ru1 112.38(12) . . ? C14 N2 C11 118.33(16) . . ? C14 N2 Ru1 128.58(13) . . ? C11 N2 Ru1 113.02(12) . . ? C26 N3 C23 118.82(16) . . ? C26 N3 Ru1 128.68(13) . . ? C23 N3 Ru1 112.50(12) . . ? C15 N4 C19 118.35(18) . . ? C15 N4 Ru1 128.47(15) . . ? C19 N4 Ru1 113.18(13) . . ? O1 C1 Ru1 173.36(18) . . ? O2 C2 Ru1 174.25(18) . . ? N1 C3 C4 122.35(19) . . ? N1 C3 H1 118.8 . . ? C4 C3 H1 118.8 . . ? C5 C4 C3 119.70(19) . . ? C5 C4 H2 120.1 . . ? C3 C4 H2 120.1 . . ? C4 C5 C6 119.39(19) . . ? C4 C5 H3 120.3 . . ? C6 C5 H3 120.3 . . ? C7 C6 C5 117.38(18) . . ? C7 C6 C8 118.77(18) . . ? C5 C6 C8 123.85(18) . . ? N1 C7 C6 122.54(17) . . ? N1 C7 C11 117.13(16) . . ? C6 C7 C11 120.31(17) . . ? C9 C8 C6 120.78(18) . . ? C9 C8 H4 119.6 . . ? C6 C8 H4 119.6 . . ? C8 C9 C10 121.50(18) . . ? C8 C9 H5 119.3 . . ? C10 C9 H5 119.3 . . ? C12 C10 C11 117.77(18) . . ? C12 C10 C9 123.70(18) . . ? C11 C10 C9 118.53(18) . . ? N2 C11 C10 122.35(17) . . ? N2 C11 C7 117.52(16) . . ? C10 C11 C7 120.11(17) . . ? C13 C12 C10 119.37(19) . . ? C13 C12 H6 120.3 . . ? C10 C12 H6 120.3 . . ? C12 C13 C14 119.97(19) . . ? C12 C13 H7 120.0 . . ? C14 C13 H7 120.0 . . ? N2 C14 C13 122.19(19) . . ? N2 C14 H8 118.9 . . ? C13 C14 H8 118.9 . . ? N4 C15 C16 122.3(2) . . ? N4 C15 H9 118.8 . . ? C16 C15 H9 118.8 . . ? C17 C16 C15 119.6(2) . . ? C17 C16 H10 120.2 . . ? C15 C16 H10 120.2 . . ? C16 C17 C18 119.9(2) . . ? C16 C17 H11 120.0 . . ? C18 C17 H11 120.0 . . ? C19 C18 C17 117.4(2) . . ? C19 C18 C20 118.7(2) . . ? C17 C18 C20 124.0(2) . . ? N4 C19 C18 122.37(19) . . ? N4 C19 C23 117.55(17) . . ? C18 C19 C23 120.08(19) . . ? C21 C20 C18 121.2(2) . . ? C21 C20 H12 119.4 . . ? C18 C20 H12 119.4 . . ? C20 C21 C22 121.5(2) . . ? C20 C21 H13 119.2 . . ? C22 C21 H13 119.2 . . ? C23 C22 C24 117.29(19) . . ? C23 C22 C21 118.3(2) . . ? C24 C22 C21 124.4(2) . . ? N3 C23 C22 122.50(18) . . ? N3 C23 C19 117.27(17) . . ? C22 C23 C19 120.22(18) . . ? C25 C24 C22 119.59(19) . . ? C25 C24 H14 120.2 . . ? C22 C24 H14 120.2 . . ? C24 C25 C26 119.75(19) . . ? C24 C25 H15 120.1 . . ? C26 C25 H15 120.1 . . ? N3 C26 C25 122.03(18) . . ? N3 C26 H16 119.0 . . ? C25 C26 H16 119.0 . . ? F1 C27 F2 106.8(2) . . ? F1 C27 F3 107.9(2) . . ? F2 C27 F3 107.6(3) . . ? F1 C27 S1 112.2(2) . . ? F2 C27 S1 110.9(2) . . ? F3 C27 S1 111.2(2) . . ? 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 O7 S2 C28 F4 174.9(4) . . . . ? O8 S2 C28 F4 57.7(4) . . . . ? O6 S2 C28 F4 -64.5(6) . . . . ? O7 S2 C28 F6 -64.3(4) . . . . ? O8 S2 C28 F6 178.4(4) . . . . ? O6 S2 C28 F6 56.2(6) . . . . ? O7 S2 C28 F5 54.2(4) . . . . ? O8 S2 C28 F5 -63.0(4) . . . . ? O6 S2 C28 F5 174.8(6) . . . . ? C7 N1 C3 C4 2.2(3) . . . . ? Ru1 N1 C3 C4 -174.89(14) . . . . ? N1 C3 C4 C5 -0.8(3) . . . . ? C3 C4 C5 C6 -1.3(3) . . . . ? C4 C5 C6 C7 2.0(3) . . . . ? C4 C5 C6 C8 -177.32(19) . . . . ? C3 N1 C7 C6 -1.5(3) . . . . ? Ru1 N1 C7 C6 176.08(14) . . . . ? C3 N1 C7 C11 177.19(16) . . . . ? Ru1 N1 C7 C11 -5.25(19) . . . . ? C5 C6 C7 N1 -0.6(3) . . . . ? C8 C6 C7 N1 178.74(17) . . . . ? C5 C6 C7 C11 -179.23(17) . . . . ? C8 C6 C7 C11 0.1(3) . . . . ? C7 C6 C8 C9 -0.6(3) . . . . ? C5 C6 C8 C9 178.73(19) . . . . ? C6 C8 C9 C10 0.6(3) . . . . ? C8 C9 C10 C12 -179.54(19) . . . . ? C8 C9 C10 C11 -0.2(3) . . . . ? C14 N2 C11 C10 0.7(3) . . . . ? Ru1 N2 C11 C10 -176.41(14) . . . . ? C14 N2 C11 C7 -178.03(16) . . . . ? Ru1 N2 C11 C7 4.9(2) . . . . ? C12 C10 C11 N2 0.5(3) . . . . ? C9 C10 C11 N2 -178.92(17) . . . . ? C12 C10 C11 C7 179.13(17) . . . . ? C9 C10 C11 C7 -0.2(3) . . . . ? N1 C7 C11 N2 0.3(2) . . . . ? C6 C7 C11 N2 179.02(16) . . . . ? N1 C7 C11 C10 -178.41(16) . . . . ? C6 C7 C11 C10 0.3(3) . . . . ? C11 C10 C12 C13 -1.3(3) . . . . ? C9 C10 C12 C13 178.06(19) . . . . ? C10 C12 C13 C14 1.0(3) . . . . ? C11 N2 C14 C13 -1.0(3) . . . . ? Ru1 N2 C14 C13 175.57(15) . . . . ? C12 C13 C14 N2 0.2(3) . . . . ? C19 N4 C15 C16 1.4(3) . . . . ? Ru1 N4 C15 C16 -177.87(16) . . . . ? N4 C15 C16 C17 -0.1(4) . . . . ? C15 C16 C17 C18 -1.6(4) . . . . ? C16 C17 C18 C19 1.9(3) . . . . ? C16 C17 C18 C20 -177.8(2) . . . . ? C15 N4 C19 C18 -1.0(3) . . . . ? Ru1 N4 C19 C18 178.35(16) . . . . ? C15 N4 C19 C23 179.42(18) . . . . ? Ru1 N4 C19 C23 -1.2(2) . . . . ? C17 C18 C19 N4 -0.6(3) . . . . ? C20 C18 C19 N4 179.2(2) . . . . ? C17 C18 C19 C23 178.9(2) . . . . ? C20 C18 C19 C23 -1.3(3) . . . . ? C19 C18 C20 C21 0.5(4) . . . . ? C17 C18 C20 C21 -179.8(2) . . . . ? C18 C20 C21 C22 0.7(4) . . . . ? C20 C21 C22 C23 -1.0(4) . . . . ? C20 C21 C22 C24 178.2(2) . . . . ? C26 N3 C23 C22 -0.7(3) . . . . ? Ru1 N3 C23 C22 179.80(16) . . . . ? C26 N3 C23 C19 177.94(17) . . . . ? Ru1 N3 C23 C19 -1.5(2) . . . . ? C24 C22 C23 N3 -0.5(3) . . . . ? C21 C22 C23 N3 178.8(2) . . . . ? C24 C22 C23 C19 -179.14(19) . . . . ? C21 C22 C23 C19 0.1(3) . . . . ? N4 C19 C23 N3 1.9(3) . . . . ? C18 C19 C23 N3 -177.70(18) . . . . ? N4 C19 C23 C22 -179.43(18) . . . . ? C18 C19 C23 C22 1.0(3) . . . . ? C23 C22 C24 C25 1.3(3) . . . . ? C21 C22 C24 C25 -177.9(2) . . . . ? C22 C24 C25 C26 -0.9(3) . . . . ? C23 N3 C26 C25 1.2(3) . . . . ? Ru1 N3 C26 C25 -179.45(14) . . . . ? C24 C25 C26 N3 -0.4(3) . . . . ? O3 S1 C27 F1 -57.3(2) . . . . ? O5 S1 C27 F1 -177.1(2) . . . . ? O4 S1 C27 F1 63.8(2) . . . . ? O3 S1 C27 F2 -176.7(2) . . . . ? O5 S1 C27 F2 63.6(2) . . . . ? O4 S1 C27 F2 -55.5(2) . . . . ? O3 S1 C27 F3 63.6(3) . . . . ? O5 S1 C27 F3 -56.1(3) . . . . ? O4 S1 C27 F3 -175.2(2) . . . . ? _refine_diff_density_max 0.392 _refine_diff_density_min -0.444 _refine_diff_density_rms 0.062 _shelx_res_file ; TITL User-defined shelxl.res created by SHELXL-2018/3 at 13:49:16 on 23-Aug-2021 CELL 0.71075 13.01060 17.59140 12.83148 90.00000 92.97150 90.00000 ZERR 4 0.00024 0.00032 0.00023 0.00000 0.00070 0.00000 LATT 1 SYMM -X, .50+Y, .50-Z SFAC C H F N O RU S P UNIT 110.880000 64 27.400000 16 28.600000 4 6.880000 1.120000 L.S. 10 FMAP 2 PLAN 60 WPDB -2 HTAB BOND $H CONF LIST 4 TEMP -160.0 ACTA SIZE 0.150 0.150 0.100 WGHT 0.037600 2.977100 FVAR 0.90317 0.72325 PART 1 S2 7 0.389667 0.112350 0.679812 21.00000 0.02363 0.02216 = 0.02375 0.00077 0.00246 0.00437 F4 3 0.532491 0.030532 0.779070 21.00000 0.03276 0.04737 = 0.04284 0.00614 -0.00766 0.00958 F5 3 0.457305 -0.024797 0.646880 21.00000 0.03774 0.02877 = 0.04407 -0.00628 0.00928 0.00747 F6 3 0.378474 -0.012109 0.788655 21.00000 0.04042 0.03676 = 0.05189 0.01609 0.01833 0.01123 O6 5 0.371368 0.151059 0.775173 21.00000 0.04363 0.03862 = 0.03169 -0.01125 0.00552 0.01202 O7 5 0.300447 0.088515 0.618730 21.00000 0.03010 0.04378 = 0.03757 0.00092 -0.01280 0.00797 O8 5 0.467765 0.142901 0.617437 21.00000 0.04329 0.04060 = 0.05362 0.02224 0.02369 0.01587 C28 1 0.442907 0.022378 0.726316 21.00000 0.02502 0.02786 = 0.03099 0.00311 0.00410 0.00675 PART 2 P1 8 0.411433 0.077388 0.695085 -21.00000 0.02698 F7 3 0.517640 0.078432 0.763170 -21.00000 0.04449 F8 3 0.454639 0.014906 0.619388 -21.00000 0.04073 F9 3 0.365409 0.014439 0.767623 -21.00000 0.04431 F10 3 0.367221 0.146642 0.766294 -21.00000 0.04406 F11 3 0.300877 0.077577 0.630288 -21.00000 0.03745 F12 3 0.455844 0.145781 0.622731 -21.00000 0.04062 PART 0 RU1 6 0.204586 0.163887 0.343826 11.00000 0.02206 0.02038 = 0.01764 0.00160 0.00142 -0.00162 S1 7 -0.140457 0.162090 0.026392 11.00000 0.03786 0.02692 = 0.03961 -0.00503 0.00282 -0.00152 F1 3 -0.261053 0.085820 -0.105378 11.00000 0.09095 0.04754 = 0.10923 0.01401 -0.05883 -0.02653 F2 3 -0.105193 0.090191 -0.145912 11.00000 0.13719 0.07330 = 0.03823 -0.01337 0.00949 0.00303 F3 3 -0.201494 0.188737 -0.167774 11.00000 0.14576 0.05290 = 0.08242 0.03177 -0.06633 -0.02605 O1 5 0.141926 0.325101 0.287768 11.00000 0.04396 0.02743 = 0.03291 0.00618 0.00142 0.00363 O2 5 0.195869 0.226225 0.562830 11.00000 0.05179 0.03059 = 0.02428 -0.00362 0.00378 -0.00302 O3 5 -0.230364 0.199546 0.061370 11.00000 0.05570 0.04358 = 0.12206 -0.02044 0.03108 0.00331 O4 5 -0.112037 0.092549 0.079343 11.00000 0.05732 0.03585 = 0.03325 0.00045 -0.00411 -0.00290 O5 5 -0.055405 0.211895 0.008995 11.00000 0.04770 0.03927 = 0.05637 0.00009 -0.00355 -0.01249 N1 4 0.226559 0.048619 0.384627 11.00000 0.02368 0.02355 = 0.01777 0.00131 0.00371 0.00051 N2 4 0.052805 0.127192 0.344428 11.00000 0.02353 0.02392 = 0.01860 -0.00047 0.00390 -0.00021 N3 4 0.215155 0.126645 0.188146 11.00000 0.02533 0.02162 = 0.02044 0.00278 0.00198 0.00052 N4 4 0.361187 0.180488 0.324202 11.00000 0.02406 0.02786 = 0.02404 0.00597 -0.00026 -0.00280 C1 1 0.169474 0.265356 0.304122 11.00000 0.02790 0.02925 = 0.01995 0.00154 0.00040 -0.00356 C2 1 0.201571 0.199735 0.483460 11.00000 0.03020 0.02058 = 0.02582 0.00336 0.00146 -0.00387 C3 1 0.313275 0.011993 0.408379 11.00000 0.02499 0.03204 = 0.02504 0.00410 0.00423 0.00202 AFIX 43 H1 2 0.375815 0.039931 0.413634 11.00000 -1.20000 AFIX 0 C4 1 0.316302 -0.066642 0.426110 11.00000 0.03145 0.03305 = 0.03020 0.00551 0.00778 0.00990 AFIX 43 H2 2 0.380143 -0.091283 0.442161 11.00000 -1.20000 AFIX 0 C5 1 0.227037 -0.107663 0.420202 11.00000 0.03873 0.02348 = 0.02648 0.00213 0.00849 0.00511 AFIX 43 H3 2 0.228481 -0.161126 0.430624 11.00000 -1.20000 AFIX 0 C6 1 0.132903 -0.069991 0.398531 11.00000 0.03270 0.02313 = 0.01921 -0.00181 0.00770 -0.00087 C7 1 0.136561 0.008673 0.380672 11.00000 0.02577 0.02346 = 0.01558 -0.00083 0.00505 -0.00189 C8 1 0.034904 -0.107017 0.394904 11.00000 0.03894 0.02397 = 0.02547 -0.00298 0.00821 -0.00549 AFIX 43 H4 2 0.031399 -0.160301 0.406225 11.00000 -1.20000 AFIX 0 C9 1 -0.052881 -0.067039 0.375537 11.00000 0.03200 0.02965 = 0.02475 -0.00424 0.00685 -0.00915 AFIX 43 H5 2 -0.117111 -0.092800 0.374203 11.00000 -1.20000 AFIX 0 C10 1 -0.051154 0.013221 0.357006 11.00000 0.02707 0.03065 = 0.01842 -0.00512 0.00402 -0.00405 C11 1 0.044245 0.050411 0.359605 11.00000 0.02518 0.02478 = 0.01584 -0.00249 0.00432 -0.00134 C12 1 -0.139796 0.057228 0.337337 11.00000 0.02304 0.03918 = 0.02677 -0.00457 0.00265 -0.00448 AFIX 43 H6 2 -0.205790 0.033980 0.333553 11.00000 -1.20000 AFIX 0 C13 1 -0.130437 0.133861 0.323653 11.00000 0.02345 0.03997 = 0.03137 -0.00074 0.00122 0.00379 AFIX 43 H7 2 -0.190147 0.164306 0.311373 11.00000 -1.20000 AFIX 0 C14 1 -0.032973 0.167476 0.327724 11.00000 0.02707 0.02775 = 0.02613 0.00003 0.00277 0.00262 AFIX 43 H8 2 -0.027827 0.220874 0.318244 11.00000 -1.20000 AFIX 0 C15 1 0.432517 0.207705 0.392540 11.00000 0.03095 0.03397 = 0.02988 0.00442 -0.00495 -0.00420 AFIX 43 H9 2 0.413169 0.220487 0.460737 11.00000 -1.20000 AFIX 0 C16 1 0.534957 0.218125 0.367375 11.00000 0.02637 0.04909 = 0.04211 0.00914 -0.00864 -0.00663 AFIX 43 H10 2 0.583919 0.237725 0.417921 11.00000 -1.20000 AFIX 0 C17 1 0.563906 0.200087 0.270463 11.00000 0.02254 0.05607 = 0.04536 0.01301 -0.00050 -0.00380 AFIX 43 H11 2 0.632907 0.208263 0.252320 11.00000 -1.20000 AFIX 0 C18 1 0.491736 0.169272 0.196827 11.00000 0.02481 0.04741 = 0.03268 0.01349 0.00249 0.00072 C19 1 0.390326 0.160746 0.227152 11.00000 0.02522 0.03236 = 0.02491 0.00890 0.00199 0.00115 C20 1 0.515826 0.146155 0.094060 11.00000 0.02678 0.06841 = 0.03412 0.01596 0.00981 0.00615 AFIX 43 H12 2 0.584357 0.151303 0.072842 11.00000 -1.20000 AFIX 0 C21 1 0.442965 0.117159 0.026679 11.00000 0.03352 0.06447 = 0.02582 0.00880 0.00994 0.00981 AFIX 43 H13 2 0.461479 0.101790 -0.040802 11.00000 -1.20000 AFIX 0 C22 1 0.338378 0.109032 0.054587 11.00000 0.03146 0.04004 = 0.02227 0.00727 0.00483 0.00650 C23 1 0.312981 0.130994 0.155254 11.00000 0.02552 0.02847 = 0.02184 0.00638 0.00199 0.00212 C24 1 0.257976 0.081099 -0.012975 11.00000 0.04345 0.03854 = 0.02057 -0.00060 0.00426 0.00646 AFIX 43 H14 2 0.271844 0.064606 -0.081332 11.00000 -1.20000 AFIX 0 C25 1 0.160127 0.077935 0.020551 11.00000 0.03822 0.02999 = 0.02299 -0.00189 -0.00190 -0.00048 AFIX 43 H15 2 0.105421 0.059881 -0.024753 11.00000 -1.20000 AFIX 0 C26 1 0.140725 0.101435 0.122092 11.00000 0.02697 0.02414 = 0.02245 0.00152 0.00128 -0.00176 AFIX 43 H16 2 0.072284 0.099276 0.144374 11.00000 -1.20000 AFIX 0 C27 1 -0.179681 0.130009 -0.104633 11.00000 0.07342 0.03381 = 0.04994 0.00802 -0.02371 -0.00830 HKLF 4 REM User-defined REM wR2 = 0.0711, GooF = S = 0.997, Restrained GooF = 0.997 for all data REM R1 = 0.0268 for 6241 Fo > 4sig(Fo) and 0.0299 for all 6728 data REM 471 parameters refined using 0 restraints END WGHT 0.0256 2.7559 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, -y, -z+1 HTAB C3 F5_$1 HTAB C3 F8_$1 HTAB C4 O8_$1 HTAB C4 F12_$1 EQIV $2 x, -y+1/2, z+1/2 HTAB C13 F3_$2 HTAB C15 O8 HTAB C15 F12 HTAB C26 O4 HTAB C26 N2 REM Highest difference peak 0.392, deepest hole -0.444, 1-sigma level 0.062 Q1 1 0.2405 0.1347 0.3276 11.00000 0.05 0.39 Q2 1 0.4463 0.1696 0.2060 11.00000 0.05 0.37 Q3 1 0.5049 0.1340 0.1830 11.00000 0.05 0.37 Q4 1 -0.0006 0.0340 0.3629 11.00000 0.05 0.36 Q5 1 -0.1658 0.1465 -0.0439 11.00000 0.05 0.35 Q6 1 0.3566 0.1372 0.1975 11.00000 0.05 0.35 Q7 1 0.3988 0.0453 0.6779 11.00000 0.05 0.35 Q8 1 0.5774 0.1601 0.2578 11.00000 0.05 0.35 Q9 1 0.0935 0.0291 0.3603 11.00000 0.05 0.33 Q10 1 -0.1660 0.0836 -0.1461 11.00000 0.05 0.33 Q11 1 -0.0803 0.1711 -0.0081 11.00000 0.05 0.32 Q12 1 -0.2143 0.2172 -0.0988 11.00000 0.05 0.31 Q13 1 0.5185 0.1880 0.2226 11.00000 0.05 0.31 Q14 1 -0.0514 -0.0266 0.3632 11.00000 0.05 0.30 Q15 1 0.1332 -0.0286 0.3815 11.00000 0.05 0.30 Q16 1 0.5246 0.1023 0.0906 11.00000 0.05 0.29 Q17 1 -0.0829 0.0787 -0.1386 11.00000 0.05 0.28 Q18 1 0.3811 0.1603 0.2758 11.00000 0.05 0.28 Q19 1 0.1782 -0.0845 0.4153 11.00000 0.05 0.28 Q20 1 -0.1742 0.0973 0.0738 11.00000 0.05 0.27 Q21 1 -0.0932 0.1359 -0.1588 11.00000 0.05 0.27 Q22 1 0.3350 0.1078 0.1178 11.00000 0.05 0.27 Q23 1 0.0849 -0.0909 0.3906 11.00000 0.05 0.27 Q24 1 0.1588 0.0850 0.0780 11.00000 0.05 0.26 Q25 1 0.2656 0.1192 0.1766 11.00000 0.05 0.26 Q26 1 0.4854 0.1956 0.3861 11.00000 0.05 0.26 Q27 1 -0.2019 0.2029 0.0008 11.00000 0.05 0.26 Q28 1 0.0443 0.0820 0.3457 11.00000 0.05 0.25 Q29 1 -0.2929 0.0739 -0.0586 11.00000 0.05 0.25 Q30 1 0.1802 0.1833 0.4408 11.00000 0.05 0.25 Q31 1 0.2377 0.0930 0.3917 11.00000 0.05 0.25 Q32 1 -0.1813 0.2086 0.0803 11.00000 0.05 0.25 Q33 1 -0.0100 -0.0846 0.3904 11.00000 0.05 0.25 Q34 1 -0.0365 0.1851 -0.0473 11.00000 0.05 0.24 Q35 1 -0.0040 -0.0863 0.3660 11.00000 0.05 0.24 Q36 1 0.1819 0.0266 0.3892 11.00000 0.05 0.24 Q37 1 0.4004 0.1986 0.3597 11.00000 0.05 0.24 Q38 1 0.3065 -0.0261 0.4187 11.00000 0.05 0.24 Q39 1 -0.0878 0.0332 0.3403 11.00000 0.05 0.24 Q40 1 0.2103 0.1301 0.2335 11.00000 0.05 0.24 Q41 1 -0.2393 0.0751 -0.1198 11.00000 0.05 0.23 Q42 1 0.2660 -0.0809 0.4382 11.00000 0.05 0.23 Q43 1 0.1869 0.1112 0.1549 11.00000 0.05 0.23 Q44 1 0.2987 0.0791 0.0309 11.00000 0.05 0.23 Q45 1 -0.1340 0.0924 0.3064 11.00000 0.05 0.23 Q46 1 -0.2712 0.1191 -0.0623 11.00000 0.05 0.23 Q47 1 0.2236 0.2059 0.3619 11.00000 0.05 0.23 Q48 1 0.4663 0.0430 0.5911 11.00000 0.05 0.22 Q49 1 -0.0806 0.2354 -0.0260 11.00000 0.05 0.22 Q50 1 0.2451 0.1559 0.4015 11.00000 0.05 0.22 Q51 1 0.3797 0.1155 0.0400 11.00000 0.05 0.22 Q52 1 0.4104 0.1571 0.7465 11.00000 0.05 0.22 Q53 1 -0.0591 0.1984 0.0647 11.00000 0.05 0.22 Q54 1 0.4172 0.2067 0.4387 11.00000 0.05 0.22 Q55 1 0.3155 0.1804 0.3415 11.00000 0.05 0.21 Q56 1 0.5562 0.1823 0.3511 11.00000 0.05 0.21 Q57 1 0.0272 0.3397 0.2195 11.00000 0.05 0.21 Q58 1 0.2185 0.1519 0.2207 11.00000 0.05 0.21 Q59 1 -0.0799 0.1486 0.3241 11.00000 0.05 0.20 Q60 1 0.4627 0.1392 0.6807 11.00000 0.05 0.20 ; _shelx_res_checksum 56069 _shelx_hkl_file ; 0 0 2 8335.41 133.61 0 0 2 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127.33 16.91 0 -1 -15 125.23 15.91 0 -1 15 166.42 17.46 0 1 16 47.28 15.49 0 1 -16 55.67 14.82 0 -1 -16 26.25 14.68 0 -1 16 5.67 16.41 0 2 2 74.65 5.81 0 2 -2 92.48 9.44 0 2 -2 76.35 9.07 0 2 2 73.87 6.26 0 2 2 71.72 5.83 0 2 -2 75.42 5.49 0 -2 -2 74.46 6.74 0 -2 -2 77.52 7.01 0 -2 -2 75.03 7.28 0 -2 2 85.30 7.17 0 -2 2 73.52 5.37 0 2 3 1067.63 21.85 0 2 -3 1076.13 26.50 0 2 -3 1076.79 20.05 0 2 -3 1069.49 20.40 0 2 -3 1071.91 27.01 0 -2 -3 1093.95 24.53 0 -2 -3 1084.39 23.12 0 -2 -3 1056.38 24.63 0 2 -4 7197.51 121.27 0 2 -4 7272.38 125.50 0 2 4 7125.71 116.24 0 2 -4 7052.96 110.86 0 -2 -4 7180.51 118.34 0 -2 -4 7175.24 121.28 0 -2 -4 7052.70 120.28 0 2 -5 6697.05 113.97 0 2 -5 6728.14 117.74 0 2 5 7011.19 114.46 0 -2 -5 6949.53 118.49 0 -2 -5 6928.14 119.80 0 -2 -5 6835.27 112.47 0 2 -6 6050.32 106.55 0 2 -6 6121.44 108.91 0 -2 -6 6100.14 100.39 0 -2 -6 6376.67 112.22 0 -2 -6 6019.79 105.17 0 2 -720627.94 346.17 0 2 -720504.04 343.18 0 -2 -720149.69 326.42 0 -2 -719939.56 335.48 0 -2 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12.94 -8 9 -2 184.10 17.31 -8 9 -2 188.09 14.77 8 -9 2 171.68 13.65 -8 -9 -2 141.97 17.87 8 9 3 40.13 14.90 8 9 3 16.32 10.86 -8 9 -3 23.55 11.29 -8 9 -3 46.19 15.16 -8 -9 -3 16.27 16.56 8 -9 3 41.31 11.85 8 9 4 81.98 15.82 -8 9 -4 80.02 13.19 8 9 4 71.12 11.32 -8 9 -4 77.86 14.57 8 -9 4 91.77 13.00 -8 -9 -4 82.08 16.82 8 9 5 37.95 10.58 -8 9 -5 43.99 12.81 -8 9 -5 45.28 12.19 8 9 5 35.84 14.13 8 -9 5 41.82 12.08 -8 -9 -5 56.10 15.43 -8 9 -6 232.64 14.93 8 9 6 231.30 17.41 -8 9 -6 219.31 16.83 8 9 6 195.98 13.63 8 -9 6 212.86 15.22 -8 -9 -6 184.04 17.70 -8 9 -7 1958.64 44.52 8 9 7 1963.60 48.40 8 9 7 1941.94 44.56 -8 9 -7 1976.05 48.83 8 -9 7 1959.11 47.02 -8 -9 -7 1981.07 48.53 -8 9 -8 40.01 10.80 -8 9 -8 62.73 15.66 8 9 8 38.61 11.62 8 -9 8 66.08 14.10 -8 -9 -8 46.20 14.70 -8 9 -9 5.57 16.03 8 9 9 32.71 11.71 -8 9 -9 30.74 10.53 -8 -9 -9 21.88 15.34 -8 -9 -9 28.51 14.87 8 -9 9 12.22 14.59 8 9 10 37.70 11.90 -8 9 -10 25.82 16.68 8 -9 10 27.71 13.82 -8 -9 -10 5.79 13.15 -8 -9 -10 15.01 17.32 -8 9 -11 511.37 26.30 8 9 11 481.30 21.15 -8 -9 -11 538.16 27.14 -8 -9 -11 514.10 23.22 8 -9 11 508.74 24.38 -8 9 -12 16.36 17.26 8 9 12 12.78 13.32 8 -9 12 18.63 15.06 -8 -9 -12 12.20 17.59 8 10 -13 510.68 25.32 8 10 -12 872.53 29.05 8 10 -12 934.16 33.40 8 -10 -12 809.45 27.99 8 10 -11 163.82 15.53 8 10 -11 151.03 17.54 8 -10 -11 150.68 14.80 8 10 -10 168.70 15.41 -8 10 10 203.71 13.89 8 10 -10 201.57 18.58 8 -10 -10 182.65 14.94 8 10 -9 776.19 26.71 -8 10 9 777.92 24.52 8 10 -9 782.83 28.20 8 -10 -9 778.27 24.90 8 10 -8 965.98 30.45 -8 10 8 980.39 28.30 8 10 -8 942.53 29.01 8 -10 -8 943.17 27.49 -8 -10 8 987.18 27.87 8 10 -7 618.44 22.78 -8 10 7 581.77 21.42 8 10 -7 645.47 23.73 8 -10 -7 572.25 20.10 -8 -10 7 569.47 19.69 8 10 -6 2076.07 49.06 8 10 -6 2156.83 50.17 -8 10 6 2266.74 51.73 -8 -10 6 2163.42 48.40 8 -10 -6 2104.33 47.02 -8 10 5 8.81 11.58 8 10 -5 40.33 14.93 8 10 -5 8.35 13.94 8 -10 -5 22.51 11.11 -8 -10 5 38.53 13.92 -8 10 4 224.22 18.11 8 10 -4 190.64 15.27 8 10 -4 161.83 16.42 8 -10 -4 201.18 13.41 -8 -10 4 216.04 16.30 8 10 -3 3305.16 68.97 -8 10 3 3362.29 67.67 8 10 -3 3340.11 67.67 -8 -10 3 3396.82 71.12 8 -10 -3 3335.89 65.82 8 10 -2 1642.89 40.57 -8 10 2 1643.88 38.06 8 10 -2 1613.93 37.96 -8 -10 2 1597.07 40.74 8 -10 -2 1641.54 37.14 8 10 -1 1557.78 37.08 -8 10 1 1571.58 32.74 -8 10 1 1716.74 42.21 8 10 -1 1665.96 41.38 8 -10 -1 1668.07 37.28 -8 -10 1 1609.42 41.67 -8 10 0 214.48 17.79 8 10 0 196.51 17.79 8 10 0 221.69 13.54 -8 10 0 190.36 11.99 8 -10 0 229.40 13.28 -8 -10 0 237.55 19.07 8 10 1 338.43 15.19 8 10 1 345.61 16.52 -8 10 -1 363.36 20.54 -8 10 -1 317.81 15.39 8 -10 1 322.77 15.35 -8 -10 -1 362.64 21.20 -8 10 -2 1.14 9.75 -8 10 -2 24.70 14.51 8 10 2 12.12 9.89 8 10 2 5.69 14.08 -8 -10 -2 10.72 12.38 8 -10 2 28.49 10.69 -8 10 -3 2606.83 54.61 -8 10 -3 2605.38 57.15 8 10 3 2536.31 56.94 8 10 3 2604.99 53.85 -8 -10 -3 2599.12 60.32 8 -10 3 2649.28 54.67 -8 10 -4 3564.60 72.68 8 10 4 3692.05 77.51 8 10 4 3747.26 73.25 -8 10 -4 3658.74 75.10 8 -10 4 3742.17 74.42 -8 -10 -4 3640.19 78.55 8 10 5 671.12 21.28 8 10 5 666.38 22.09 -8 10 -5 710.41 24.07 -8 10 -5 670.67 23.51 -8 -10 -5 736.65 28.62 8 -10 5 693.86 23.16 8 10 6 20.73 13.96 8 10 6 -0.39 9.92 -8 10 -6 3.78 13.24 -8 10 -6 9.70 11.38 8 -10 6 18.97 11.40 -8 -10 -6 -3.44 14.14 8 10 7 1530.25 36.88 -8 10 -7 1598.52 39.41 8 10 7 1630.74 42.61 -8 10 -7 1512.45 41.39 -8 -10 -7 1525.10 41.59 8 -10 7 1515.57 38.80 -8 10 -8 26.22 16.03 8 10 8 18.38 11.24 -8 10 -8 24.86 10.92 8 10 8 51.09 11.28 8 -10 8 27.20 13.71 -8 -10 -8 31.93 15.16 8 10 9 1487.86 37.77 8 10 9 1578.72 39.51 -8 10 -9 1530.80 42.93 8 -10 9 1538.66 41.40 -8 -10 -9 1528.70 42.02 8 10 10 697.91 28.61 8 10 10 705.19 24.73 -8 10 -10 741.41 25.60 -8 -10 -10 755.57 27.75 8 -10 10 753.09 27.83 8 10 11 183.85 15.02 -8 10 -11 215.68 21.01 -8 -10 -11 212.87 17.27 8 -10 11 206.34 17.74 8 10 12 42.58 12.92 -8 10 -12 52.36 17.33 8 -10 12 67.73 15.60 8 11 -12 272.26 21.37 8 11 -12 258.26 19.35 8 11 -11 206.12 19.28 8 11 -11 221.44 17.54 8 11 -10 1315.72 38.03 8 11 -10 1220.93 36.32 -8 11 10 1195.22 32.86 -8 11 9 109.82 14.25 8 11 -9 134.86 15.87 8 11 -9 146.83 16.73 8 -11 -9 162.58 12.91 8 11 -8 823.34 28.44 8 11 -8 822.73 28.60 -8 11 8 822.09 26.63 8 -11 -8 810.78 25.25 -8 -11 8 804.91 23.97 -8 11 7 17.09 11.82 8 11 -7 -10.58 11.93 8 11 -7 5.05 12.35 8 -11 -7 8.18 11.22 -8 -11 7 -20.89 9.80 -8 11 6 2024.44 48.82 8 11 -6 1908.42 46.23 8 11 -6 1945.43 48.41 8 -11 -6 1919.54 44.98 -8 -11 6 1991.48 46.49 8 11 -5 908.25 29.79 8 11 -5 918.21 28.58 -8 11 5 959.80 31.00 -8 -11 5 904.06 28.32 8 -11 -5 897.21 26.86 -8 11 4 2639.65 59.32 8 11 -4 2629.81 58.33 8 11 -4 2498.39 54.38 8 -11 -4 2614.81 54.63 -8 -11 4 2527.06 56.85 8 11 -3 515.06 19.47 8 11 -3 448.35 21.49 -8 11 3 472.47 22.26 -8 -11 3 494.23 22.53 8 -11 -3 466.24 16.70 8 11 -2 57.59 15.50 8 11 -2 84.43 11.55 -8 11 2 65.77 16.36 8 -11 -2 65.39 12.18 -8 -11 2 127.61 16.37 -8 11 1 26.15 14.42 8 11 -1 17.23 9.78 -8 11 1 4.28 7.17 8 11 -1 1.28 14.23 -8 -11 1 6.48 15.04 8 -11 -1 4.30 8.67 8 11 0 3497.34 69.16 8 11 0 3528.05 73.73 -8 11 0 3561.81 71.05 -8 11 0 3493.95 66.67 8 -11 0 3419.59 67.14 -8 -11 0 3499.88 74.57 -8 11 -1 2044.39 44.61 8 11 1 2151.83 45.45 8 11 1 2092.46 46.35 -8 11 -1 2074.04 49.40 8 -11 1 2110.12 45.04 -8 -11 -1 2040.03 46.97 -8 11 -2 684.99 26.41 8 11 2 658.15 20.93 8 11 2 651.64 25.79 -8 11 -2 664.93 21.32 8 -11 2 654.69 21.36 -8 -11 -2 693.97 28.32 8 11 3 303.97 15.47 -8 11 -3 311.56 15.89 -8 11 -3 311.17 18.87 8 11 3 287.59 19.14 -8 -11 -3 333.96 21.23 8 -11 3 298.22 14.79 8 11 4 793.38 22.67 -8 11 -4 804.85 27.99 -8 11 -4 815.76 26.03 8 11 4 804.16 28.97 8 -11 4 852.04 25.18 -8 -11 -4 849.35 26.58 -8 11 -5 183.06 15.43 8 11 5 198.54 13.85 -8 11 -5 197.26 15.75 8 11 5 172.77 11.76 -8 -11 -5 145.46 18.32 8 -11 5 222.17 14.38 -8 11 -6 2169.40 49.28 8 11 6 2191.32 53.16 -8 11 -6 2373.70 54.71 8 11 6 2184.54 47.94 -8 -11 -6 2173.77 53.28 8 -11 6 2198.21 49.84 8 11 7 568.63 23.81 -8 11 -7 430.46 19.39 -8 11 -7 461.89 22.52 8 11 7 474.90 18.41 8 -11 7 497.32 20.93 -8 -11 -7 487.73 24.03 8 11 8 1451.97 37.79 8 11 8 1425.42 35.75 -8 11 -8 1490.89 41.56 -8 11 -8 1396.24 36.03 -8 -11 -8 1505.77 41.67 8 -11 8 1461.87 39.13 8 11 9 427.78 18.42 -8 11 -9 470.54 24.58 8 11 9 439.70 19.22 -8 -11 -9 479.91 23.59 8 -11 9 481.90 22.10 8 11 10 1068.47 35.66 -8 11 -10 1139.28 37.21 -8 -11 -10 1097.54 35.48 8 -11 10 1093.73 34.17 8 11 11 161.60 18.59 -8 11 -11 150.43 19.68 -8 -11 -11 209.95 17.41 8 -11 11 181.09 17.74 8 12 -12 2049.68 53.38 8 12 -12 2054.55 54.42 8 12 -11 84.33 16.09 8 12 -11 124.15 16.07 8 12 -10 115.13 18.82 -8 12 10 116.79 15.77 8 12 -10 109.81 18.89 8 12 -9 59.13 15.92 -8 12 9 87.48 14.47 8 12 -9 84.93 16.38 8 12 -8 2327.13 55.33 8 12 -8 2354.39 55.45 -8 12 8 2340.99 53.96 -8 12 7 79.43 14.97 8 12 -7 124.85 13.89 8 12 -7 114.35 15.97 -8 -12 7 100.98 12.50 -8 12 6 2208.92 52.55 8 12 -6 2224.63 51.07 8 12 -6 2210.64 52.82 -8 -12 6 2176.77 50.41 8 -12 -6 2121.80 46.45 8 12 -5 68.06 15.66 -8 12 5 77.15 15.65 8 12 -5 79.11 12.96 -8 -12 5 62.36 13.92 8 -12 -5 60.65 9.76 8 12 -4 33.57 12.63 -8 12 4 -1.28 16.31 8 12 -4 0.38 15.71 -8 -12 4 25.16 14.84 8 -12 -4 8.13 11.27 8 12 -3 657.13 21.58 -8 12 3 652.52 26.02 8 12 -3 619.09 25.40 8 -12 -3 625.49 21.38 -8 -12 3 602.69 24.86 -8 12 2 5204.76 102.59 8 12 -2 5028.09 101.31 8 12 -2 5022.43 98.47 8 -12 -2 5189.35 98.86 -8 -12 2 4961.98 100.68 8 12 -1 24.98 9.86 8 12 -1 17.97 10.87 -8 12 1 25.24 14.59 8 -12 -1 25.89 10.58 -8 -12 1 32.10 15.43 8 12 0 104.00 11.89 -8 12 0 101.18 10.22 8 12 0 121.38 12.07 -8 12 0 116.37 15.86 -8 -12 0 116.73 16.24 8 -12 0 146.70 10.48 8 12 1 181.64 11.40 -8 12 -1 145.34 11.18 -8 12 -1 139.91 17.24 8 12 1 160.77 16.45 -8 -12 -1 194.59 18.23 8 -12 1 136.55 11.23 -8 12 -2 640.73 25.72 8 12 2 633.98 19.06 -8 12 -2 633.63 20.93 8 12 2 685.48 22.63 8 -12 2 655.17 20.21 -8 -12 -2 625.98 26.57 -8 12 -3 7.02 11.06 8 12 3 13.87 9.63 -8 12 -3 7.17 13.95 8 12 3 9.80 14.42 -8 -12 -3 -1.39 15.97 8 -12 3 1.00 9.88 8 12 4 5733.38 115.08 -8 12 -4 5690.97 110.52 8 12 4 5503.76 104.17 -8 12 -4 5717.43 112.46 8 -12 4 5525.09 106.64 -8 -12 -4 5613.43 113.92 8 12 5 43.19 9.44 -8 12 -5 45.57 13.79 -8 12 -5 42.32 14.06 8 12 5 61.77 14.57 -8 -12 -5 55.08 17.16 8 -12 5 91.49 11.88 -8 12 -6 22.14 12.65 8 12 6 16.21 10.69 8 12 6 23.01 14.83 -8 12 -6 16.70 13.82 -8 -12 -6 40.74 16.59 8 -12 6 13.43 11.52 -8 12 -7 140.85 14.17 -8 12 -7 137.45 17.04 8 12 7 140.09 16.74 -8 -12 -7 141.77 17.71 8 -12 7 148.87 14.50 8 12 8 197.11 18.55 -8 12 -8 174.80 14.47 -8 12 -8 188.51 18.42 8 -12 8 179.15 15.79 -8 -12 -8 205.70 19.00 -8 12 -9 282.27 20.46 8 12 9 334.89 20.86 -8 -12 -9 297.45 21.22 8 -12 9 349.08 18.66 -8 12 -10 1543.42 41.98 8 12 10 1520.76 43.95 -8 -12 -10 1583.79 44.37 8 -12 10 1543.76 42.92 -8 12 -11 98.53 17.29 8 12 11 40.69 16.64 8 -12 11 72.53 14.66 -8 -12 -11 64.58 15.60 8 13 -11 312.93 21.38 8 13 -11 289.48 20.38 -8 13 10 1876.99 47.48 8 13 -10 1962.46 50.60 8 13 -10 1831.75 49.33 -8 13 9 1619.36 42.68 8 13 -9 1474.92 41.74 8 13 -9 1439.86 40.60 -8 13 8 770.41 27.48 8 13 -8 779.57 28.76 8 13 -8 797.06 27.60 8 13 -7 40.21 14.91 8 13 -7 51.26 13.33 -8 13 7 52.62 14.07 -8 -13 7 47.86 12.42 -8 13 6 768.06 27.44 8 13 -6 751.70 27.54 8 13 -6 747.20 24.26 -8 -13 6 760.02 25.51 -8 13 5 2009.37 46.96 8 13 -5 2162.31 48.84 8 13 -5 2013.02 47.03 -8 -13 5 2049.00 48.80 8 13 -4 1474.63 37.06 -8 13 4 1522.40 40.79 8 13 -4 1489.25 40.96 -8 -13 4 1530.76 41.04 8 13 -3 977.50 26.96 8 13 -3 1000.10 28.61 -8 13 3 1038.82 28.93 -8 -13 3 964.23 31.71 8 13 -2 1289.40 31.81 -8 13 2 1308.64 37.23 8 13 -2 1266.23 37.82 -8 -13 2 1375.01 39.11 8 13 -1 506.76 17.64 8 13 -1 514.91 23.92 -8 13 1 529.98 20.13 -8 -13 1 550.67 24.58 8 -13 -1 472.88 17.89 -8 13 0 457.19 18.78 8 13 0 474.52 16.44 8 13 0 468.64 22.18 -8 13 0 449.57 16.44 8 -13 0 451.50 15.68 -8 -13 0 440.82 19.15 8 13 1 2893.39 65.50 8 13 1 2752.93 57.18 -8 13 -1 2854.51 60.21 -8 13 -1 2957.72 65.52 -8 -13 -1 2674.63 59.25 8 -13 1 2930.66 59.11 8 13 2 1306.72 38.26 -8 13 -2 1234.65 32.18 8 13 2 1289.49 31.21 -8 13 -2 1405.10 38.79 -8 -13 -2 1233.36 38.57 8 -13 2 1325.31 34.47 8 13 3 577.36 21.77 -8 13 -3 533.20 20.70 -8 13 -3 555.91 24.17 8 -13 3 554.03 19.31 -8 -13 -3 650.31 26.88 8 13 4 -7.72 16.02 -8 13 -4 0.53 13.31 -8 13 -4 16.17 14.93 -8 -13 -4 1.03 17.64 8 -13 4 15.17 10.89 -8 13 -5 142.59 16.62 8 13 5 142.34 18.34 -8 13 -5 165.56 16.12 -8 -13 -5 178.37 20.55 8 -13 5 175.36 14.03 -8 13 -6 705.50 25.03 8 13 6 684.41 27.25 -8 13 -6 668.43 25.80 8 -13 6 684.64 23.23 -8 -13 -6 732.22 25.55 8 13 7 554.69 24.28 -8 13 -7 510.99 21.00 -8 13 -7 493.25 22.98 8 -13 7 499.94 20.71 -8 -13 -7 446.13 20.99 8 13 8 911.74 31.28 -8 13 -8 923.74 32.38 -8 13 -8 882.73 27.61 -8 -13 -8 962.98 32.79 8 -13 8 937.65 28.83 -8 13 -9 6.04 15.63 8 13 9 19.66 14.33 8 -13 9 -3.27 11.63 -8 -13 -9 -2.26 15.19 8 13 10 151.94 18.16 -8 13 -10 166.17 20.11 -8 -13 -10 130.99 18.07 8 -13 10 127.05 15.37 8 14 -10 14.26 14.17 8 14 -10 -2.85 14.68 -8 14 10 0.85 12.49 8 14 -9 452.99 23.61 -8 14 9 474.38 22.07 8 14 -9 464.93 21.83 8 14 -8 25.81 14.15 8 14 -8 17.64 12.01 -8 14 8 24.48 12.75 8 14 -7 495.26 23.22 8 14 -7 542.70 21.11 -8 14 7 535.33 22.67 -8 -14 7 504.07 20.71 8 14 -6 349.73 20.42 8 14 -6 319.50 16.40 -8 14 6 377.11 19.95 -8 -14 6 393.72 18.97 8 14 -5 476.00 19.30 -8 14 5 522.86 20.93 8 14 -5 538.92 25.62 -8 -14 5 503.56 22.07 -8 14 4 87.46 16.26 8 14 -4 87.48 16.97 8 14 -4 93.44 11.66 -8 -14 4 110.83 15.94 -8 14 3 2005.40 46.51 8 14 -3 2036.40 51.41 8 14 -3 2010.98 45.47 -8 -14 3 2024.83 51.71 8 14 -2 484.42 17.16 -8 14 2 537.10 23.32 8 14 -2 524.71 23.69 -8 -14 2 478.92 23.56 -8 14 1 840.75 26.38 8 14 -1 928.88 30.83 -8 -14 1 935.21 31.35 -8 14 0 94.43 12.95 8 14 0 99.27 16.88 -8 -14 0 131.09 13.99 8 14 1 32.36 16.61 -8 14 -1 24.48 16.92 -8 14 -1 37.32 10.02 -8 -14 -1 19.25 13.32 8 14 2 183.04 18.40 -8 14 -2 137.33 17.79 -8 14 -2 123.55 12.16 -8 -14 -2 153.24 18.85 -8 14 -3 3196.91 70.93 8 14 3 3204.01 68.57 -8 14 -3 3143.02 67.63 -8 -14 -3 3274.35 74.99 8 -14 3 3190.80 65.42 8 14 4 93.19 12.57 -8 14 -4 58.35 16.36 -8 14 -4 71.34 14.63 8 -14 4 40.99 11.02 -8 -14 -4 65.58 14.35 8 14 5 2434.00 59.70 -8 14 -5 2481.81 57.37 -8 14 -5 2516.81 58.78 8 -14 5 2419.41 53.80 -8 -14 -5 2416.94 57.11 -8 14 -6 192.75 16.46 8 14 6 224.70 14.61 -8 14 -6 177.59 15.88 -8 -14 -6 223.33 20.08 8 -14 6 204.92 14.38 -8 14 -7 217.15 16.57 8 14 7 200.38 19.52 -8 14 -7 175.42 18.54 8 -14 7 213.98 15.15 -8 -14 -7 176.05 20.50 8 14 8 259.84 19.63 -8 14 -8 202.12 19.35 -8 14 -8 236.61 15.85 8 -14 8 211.87 15.83 -8 -14 -8 260.68 20.38 -8 14 -9 1039.81 34.10 8 14 9 1100.12 35.72 -8 -14 -9 1004.49 34.85 8 -14 9 994.92 31.23 -8 14 -10 438.63 24.09 8 14 10 391.54 23.67 8 -14 10 338.80 19.43 -8 -14 -10 419.46 23.38 -8 15 10 221.27 16.55 8 15 -10 206.51 17.29 8 15 -10 215.82 18.38 8 15 -9 1047.42 32.54 -8 15 9 1094.84 33.99 8 15 -9 1049.32 34.58 8 15 -8 0.82 11.65 8 15 -8 -2.02 13.95 -8 15 8 26.51 12.54 8 15 -7 -23.33 14.66 -8 15 7 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43.77 10 8 5 1792.08 43.27 10 8 5 1725.63 40.82 -10 -8 -5 1799.41 42.82 10 -8 5 1845.95 45.06 -10 8 -6 230.09 17.10 -10 8 -6 234.10 16.49 10 8 6 246.22 19.13 10 8 6 265.18 16.14 -10 -8 -6 264.36 20.26 10 -8 6 241.18 14.51 10 8 7 24.98 12.26 -10 8 -7 10.97 11.98 10 8 7 25.63 14.75 -10 8 -7 25.76 13.81 10 -8 7 -15.80 13.73 -10 -8 -7 35.44 15.24 10 8 8 85.68 14.37 -10 8 -8 50.30 15.60 -10 8 -8 91.45 14.03 -10 -8 -8 117.51 16.61 10 -8 8 67.47 15.95 -10 8 -9 285.63 20.51 10 8 9 258.44 17.95 -10 8 -9 275.79 15.56 10 -8 9 237.38 19.05 -10 -8 -9 234.44 20.69 -10 -8 -9 310.78 19.49 10 8 10 173.06 15.86 -10 8 -10 170.15 19.37 10 -8 10 166.88 17.35 -10 -8 -10 170.03 16.83 -10 -8 -10 196.16 19.33 -10 8 -11 482.32 26.07 10 8 11 477.67 22.56 -10 -8 -11 500.22 27.06 10 -8 11 447.91 24.26 10 9 -12 130.72 18.53 10 -9 -12 186.97 16.45 10 9 -11 45.84 18.06 10 -9 -11 21.58 14.86 10 9 -10 18.88 15.85 -10 9 10 14.86 11.48 10 -9 -10 27.06 13.21 -10 9 9 1469.09 37.22 10 9 -9 1327.75 39.36 10 9 -9 1343.82 35.78 10 -9 -9 1403.21 38.23 10 9 -8 81.08 12.70 -10 9 8 175.62 15.23 10 9 -8 92.41 16.68 -10 -9 8 89.94 11.37 10 -9 -8 91.42 14.04 10 9 -7 3760.56 81.04 10 9 -7 3603.19 75.48 -10 9 7 3615.90 76.80 -10 -9 7 3582.75 74.51 10 -9 -7 3689.03 78.68 10 9 -6 8.95 14.38 -10 9 6 3.10 12.11 10 9 -6 8.42 11.25 10 -9 -6 14.15 11.90 -10 -9 6 -0.48 11.50 -10 9 5 333.75 19.48 10 9 -5 283.28 16.35 10 9 -5 305.71 18.99 -10 -9 5 385.92 18.96 10 -9 -5 341.51 18.15 10 9 -4 34.06 11.91 -10 9 4 41.84 14.17 10 9 -4 28.42 13.95 -10 -9 4 40.95 14.21 10 -9 -4 16.60 12.23 10 9 -3 1844.26 44.53 10 9 -3 1852.81 43.45 -10 9 3 1790.72 41.31 10 -9 -3 1931.16 44.57 -10 -9 3 1915.10 46.72 -10 9 2 46.01 15.07 10 9 -2 38.60 12.71 10 9 -2 35.72 13.32 -10 -9 2 20.75 15.61 10 -9 -2 31.74 12.01 10 9 -1 1926.91 47.10 -10 9 1 1852.08 47.69 10 9 -1 1854.49 46.64 10 -9 -1 1853.23 44.90 -10 -9 1 1870.21 49.04 -10 9 0 275.46 16.01 10 9 0 304.51 18.98 10 9 0 314.79 17.84 10 -9 0 282.31 16.58 -10 -9 0 321.85 20.93 10 9 1 94.51 13.37 -10 9 -1 131.46 17.64 -10 9 -1 91.27 11.19 10 9 1 116.56 16.05 -10 -9 -1 116.85 18.34 10 -9 1 87.83 13.82 -10 9 -2 2.74 10.23 -10 9 -2 11.87 13.20 10 9 2 8.20 11.24 10 9 2 16.67 10.59 10 -9 2 2.98 11.27 -10 -9 -2 0.24 14.46 10 9 3 1106.10 30.26 10 9 3 1142.40 33.23 -10 9 -3 1096.73 32.33 -10 9 -3 1094.60 28.62 10 -9 3 1099.56 30.72 -10 -9 -3 1053.59 33.78 10 9 4 137.41 16.78 10 9 4 156.11 13.95 -10 9 -4 151.70 15.62 -10 9 -4 151.74 13.07 10 -9 4 130.48 14.23 -10 -9 -4 145.29 18.42 10 9 5 45.19 15.17 -10 9 -5 38.99 12.95 10 9 5 51.35 12.71 -10 9 -5 45.46 14.15 -10 -9 -5 65.59 16.74 10 -9 5 52.74 14.21 10 9 6 35.31 11.49 10 9 6 16.37 10.94 -10 9 -6 0.18 12.56 -10 9 -6 18.37 12.04 10 -9 6 10.99 12.45 -10 -9 -6 -11.48 14.40 10 9 7 439.63 19.87 -10 9 -7 425.75 22.04 -10 9 -7 464.18 20.52 10 9 7 475.49 23.63 -10 -9 -7 434.53 23.07 10 -9 7 439.23 21.10 -10 9 -8 107.35 17.06 10 9 8 123.79 14.14 -10 9 -8 103.16 14.14 10 9 8 134.18 14.81 -10 -9 -8 135.18 17.79 10 -9 8 163.61 17.10 10 9 9 166.91 16.26 10 9 9 147.95 17.69 -10 9 -9 171.08 18.66 -10 9 -9 138.48 13.69 -10 -9 -9 135.13 18.15 10 -9 9 169.68 16.98 -10 9 -10 8.14 15.40 10 9 10 9.17 12.70 10 -9 10 -0.27 14.34 -10 -9 -10 18.88 14.30 10 9 11 782.94 28.66 -10 9 -11 949.04 34.08 10 -9 11 840.21 30.86 10 10 -11 946.68 34.11 10 -10 -11 882.77 29.93 10 10 -10 1461.64 42.57 -10 10 10 1466.14 38.56 10 10 -10 1410.55 39.08 10 -10 -10 1363.49 38.57 10 10 -9 117.96 14.43 -10 10 9 140.36 14.38 10 10 -9 103.87 17.95 10 -10 -9 115.59 15.08 -10 10 8 100.00 14.35 10 10 -8 74.30 16.41 10 10 -8 89.50 14.18 10 -10 -8 76.10 14.06 10 10 -7 568.61 25.21 -10 10 7 587.36 24.05 10 10 -7 552.29 22.04 -10 -10 7 617.33 22.86 10 -10 -7 594.57 22.65 -10 10 6 157.15 16.57 10 10 -6 201.03 14.92 10 10 -6 167.25 16.71 10 -10 -6 209.78 15.12 -10 -10 6 189.94 14.93 10 10 -5 601.04 23.46 10 10 -5 567.53 21.88 -10 10 5 617.52 24.28 10 -10 -5 578.81 21.35 -10 -10 5 600.84 23.15 10 10 -4 395.35 20.27 10 10 -4 372.91 20.14 -10 10 4 426.50 21.89 -10 -10 4 404.42 21.58 10 -10 -4 421.09 19.32 10 10 -3 56.29 14.33 10 10 -3 68.54 14.40 -10 10 3 70.15 11.99 10 -10 -3 51.14 12.48 -10 -10 3 81.14 15.16 -10 10 2 204.35 19.27 10 10 -2 199.26 16.49 10 10 -2 166.40 17.64 -10 -10 2 137.25 18.65 10 -10 -2 193.52 15.48 10 10 -1 3003.78 64.08 10 10 -1 3091.94 66.84 -10 10 1 3089.85 64.41 -10 -10 1 3171.23 70.17 10 -10 -1 3065.49 64.59 10 10 0 438.82 19.45 10 10 0 459.00 21.84 -10 10 0 514.54 19.80 10 -10 0 474.89 19.62 -10 -10 0 469.93 24.53 10 10 1 394.08 18.34 10 10 1 410.26 20.68 -10 10 -1 426.86 22.17 10 -10 1 443.58 19.15 -10 -10 -1 486.30 23.72 10 10 2 149.85 13.12 -10 10 -2 147.93 13.01 -10 10 -2 126.46 17.13 10 10 2 144.69 14.05 -10 -10 -2 145.42 18.27 10 -10 2 142.31 13.90 10 10 3 331.79 16.81 -10 10 -3 361.23 16.53 -10 10 -3 327.46 16.78 10 10 3 327.61 17.55 10 -10 3 341.51 17.67 -10 -10 -3 370.00 19.03 -10 10 -4 591.69 21.77 10 10 4 561.03 25.22 -10 10 -4 573.85 24.03 10 10 4 496.59 20.39 -10 -10 -4 563.84 26.99 10 -10 4 560.42 22.35 -10 10 -5 3871.91 81.09 10 10 5 3859.01 79.70 -10 10 -5 3811.15 80.63 10 10 5 3943.82 85.56 -10 -10 -5 3920.98 85.93 10 -10 5 3870.39 80.77 -10 10 -6 142.00 16.36 -10 10 -6 154.58 16.23 10 10 6 154.89 14.55 10 10 6 132.18 18.15 -10 -10 -6 141.46 19.05 10 -10 6 179.48 16.36 10 10 7 78.29 13.69 10 10 7 101.30 18.11 -10 10 -7 81.47 14.85 -10 10 -7 98.17 16.55 -10 -10 -7 116.61 18.03 10 -10 7 82.57 15.42 -10 10 -8 435.82 20.84 -10 10 -8 402.43 23.71 10 10 8 431.19 21.05 10 10 8 463.38 25.22 -10 -10 -8 399.31 24.33 10 -10 8 431.76 22.82 10 10 9 623.46 23.96 10 10 9 623.01 25.98 -10 10 -9 646.07 27.20 10 -10 9 602.40 26.03 -10 -10 -9 641.77 27.07 10 10 10 35.46 16.04 -10 10 -10 18.42 16.28 10 10 10 53.40 12.67 -10 -10 -10 21.34 15.33 10 -10 10 38.05 14.72 10 11 -11 -4.44 14.34 10 11 -10 483.54 25.10 -10 11 10 516.66 22.42 10 11 -10 463.33 22.59 10 11 -9 130.95 14.49 -10 11 9 140.00 14.15 10 11 -9 126.10 16.78 10 11 -8 1925.16 49.75 -10 11 8 1990.48 49.01 10 11 -8 1895.16 46.64 10 -11 -8 1894.48 46.05 10 11 -7 711.42 25.20 10 11 -7 683.46 26.22 -10 11 7 658.51 25.42 10 -11 -7 709.32 24.33 -10 -11 7 670.27 23.88 10 11 -6 179.02 15.90 -10 11 6 156.48 15.99 10 11 -6 139.38 14.65 -10 -11 6 147.83 15.08 10 -11 -6 158.00 13.71 -10 11 5 16.72 13.71 10 11 -5 9.05 12.43 10 11 -5 6.71 13.23 10 -11 -5 3.91 10.66 -10 -11 5 7.05 12.68 -10 11 4 2828.99 60.84 10 11 -4 2812.14 61.96 10 11 -4 2850.96 63.83 10 -11 -4 2971.64 63.34 -10 -11 4 2796.23 63.69 10 11 -3 538.43 21.65 -10 11 3 535.75 23.88 10 11 -3 529.05 22.86 -10 -11 3 536.31 24.43 10 -11 -3 538.24 20.25 10 11 -2 1623.73 42.84 -10 11 2 1529.21 38.82 10 11 -2 1564.61 39.77 -10 -11 2 1533.05 43.08 10 -11 -2 1536.20 38.13 10 11 -1 1298.15 36.96 10 11 -1 1244.52 33.60 -10 11 1 1363.99 38.74 10 -11 -1 1220.72 32.28 -10 -11 1 1220.47 37.78 10 11 0 245.78 16.34 10 11 0 271.81 19.26 -10 11 0 250.56 19.91 -10 -11 0 291.21 21.02 10 -11 0 259.60 15.48 10 11 1 92.03 12.44 -10 11 -1 86.50 16.47 10 11 1 96.85 15.39 10 -11 1 90.08 12.45 -10 -11 -1 100.44 13.70 -10 11 -2 3346.35 67.88 10 11 2 3370.60 69.66 10 11 2 3376.74 69.48 -10 11 -2 3548.24 75.99 10 -11 2 3502.77 72.80 -10 -11 -2 3327.68 71.39 10 11 3 579.61 20.72 -10 11 -3 517.28 19.72 10 11 3 586.02 25.20 -10 11 -3 508.59 19.65 -10 -11 -3 563.10 26.13 10 -11 3 511.17 20.69 -10 11 -4 510.31 24.60 10 11 4 500.89 20.03 10 11 4 537.51 25.45 -10 11 -4 518.54 20.71 10 -11 4 500.16 21.55 -10 -11 -4 507.50 26.62 10 11 5 30.96 11.96 -10 11 -5 16.34 14.94 -10 11 -5 24.76 14.07 10 11 5 15.02 17.05 -10 -11 -5 31.42 14.16 10 -11 5 22.04 13.75 -10 11 -6 977.64 30.64 -10 11 -6 923.76 30.34 10 11 6 913.30 32.27 10 11 6 1000.31 28.81 -10 -11 -6 950.07 33.90 10 -11 6 930.55 29.99 -10 11 -7 596.59 26.69 10 11 7 623.63 23.10 -10 11 -7 564.86 23.66 10 11 7 604.03 27.13 -10 -11 -7 635.99 28.14 10 -11 7 622.25 25.34 -10 11 -8 3235.00 72.38 -10 11 -8 3245.01 76.54 10 11 8 2836.84 65.36 10 11 8 3314.06 73.22 -10 -11 -8 3241.46 76.10 10 -11 8 3366.75 76.00 10 11 9 2.66 11.36 -10 11 -9 33.64 15.45 10 11 9 -7.96 14.38 10 -11 9 22.16 13.87 -10 -11 -9 -5.14 15.61 10 11 10 -4.77 11.04 -10 11 -10 20.20 16.29 10 -11 10 1.75 13.36 -10 -11 -10 1.49 14.48 10 12 -10 1313.39 39.40 -10 12 10 1364.49 38.61 10 12 -10 1265.31 39.71 10 12 -9 19.48 13.39 -10 12 9 7.43 13.18 10 12 -9 30.89 14.76 10 12 -8 210.41 18.08 -10 12 8 235.81 18.60 10 12 -8 259.58 18.83 -10 12 7 -0.49 13.18 10 12 -7 18.88 13.20 10 12 -7 -6.92 12.61 -10 -12 7 10.71 11.40 10 12 -6 468.35 20.96 -10 12 6 496.72 21.96 10 12 -6 491.92 21.91 -10 -12 6 470.09 20.79 10 12 -5 48.49 13.33 -10 12 5 37.97 14.54 10 12 -5 53.85 13.97 -10 -12 5 50.29 14.29 10 -12 -5 35.00 11.16 10 12 -4 1373.09 37.80 -10 12 4 1439.03 39.91 10 12 -4 1406.09 37.32 10 -12 -4 1416.98 35.81 -10 -12 4 1435.17 39.75 10 12 -3 99.59 16.06 -10 12 3 90.22 13.06 10 12 -3 135.59 13.91 10 -12 -3 122.75 12.17 -10 -12 3 87.32 17.10 10 12 -2 1537.37 39.37 10 12 -2 1531.08 42.12 -10 12 2 1545.37 38.56 -10 -12 2 1603.80 44.36 10 -12 -2 1537.94 38.23 10 12 -1 448.30 19.28 -10 12 1 452.79 23.95 10 12 -1 487.07 23.43 -10 -12 1 515.78 25.88 10 -12 -1 471.33 19.34 10 12 0 1919.61 47.90 -10 12 0 1945.56 45.50 10 12 0 1851.66 43.34 10 -12 0 1927.83 44.55 -10 -12 0 1850.38 48.20 10 12 1 154.90 12.62 10 12 1 192.76 14.00 -10 12 -1 199.41 18.11 10 -12 1 167.63 13.51 -10 -12 -1 242.16 20.05 -10 12 -2 361.64 21.90 10 12 2 340.80 21.41 10 12 2 385.76 16.59 -10 -12 -2 293.66 20.77 10 -12 2 362.11 17.19 10 12 3 166.20 13.10 -10 12 -3 187.12 17.98 10 12 3 251.66 18.98 -10 12 -3 178.39 13.57 10 -12 3 177.28 14.06 -10 -12 -3 191.63 20.47 -10 12 -4 1711.30 45.01 -10 12 -4 1775.20 43.19 10 12 4 1756.37 42.18 10 12 4 1698.74 46.45 -10 -12 -4 1746.31 49.07 10 -12 4 1750.67 43.68 -10 12 -5 1813.92 46.45 -10 12 -5 1922.54 49.16 10 12 5 1828.87 44.27 10 12 5 1855.53 45.99 -10 -12 -5 1842.28 51.53 10 -12 5 1968.90 48.23 -10 12 -6 630.39 24.85 -10 12 -6 648.59 24.90 10 12 6 572.70 21.72 10 12 6 662.72 27.67 -10 -12 -6 647.37 28.97 10 -12 6 627.01 24.45 -10 12 -7 65.77 16.09 -10 12 -7 113.75 14.31 10 12 7 137.58 17.48 -10 -12 -7 74.59 18.56 10 -12 7 107.48 14.07 -10 12 -8 292.70 21.53 -10 12 -8 294.11 18.73 10 12 8 373.78 22.70 10 -12 8 308.78 20.23 -10 -12 -8 303.26 22.78 10 12 9 19.33 14.69 -10 12 -9 -10.11 15.49 -10 -12 -9 3.62 15.58 10 -12 9 31.66 13.42 10 13 -10 416.77 21.56 -10 13 10 406.82 20.67 10 13 -10 358.97 22.55 10 13 -9 534.59 23.76 10 13 -9 534.46 24.43 -10 13 9 529.09 23.50 -10 13 8 1247.61 36.58 10 13 -8 1197.83 36.47 10 13 -8 1129.09 35.09 10 13 -7 1064.82 33.40 -10 13 7 1152.95 35.58 10 13 -7 1160.93 35.63 -10 -13 7 1192.19 33.64 10 13 -6 229.45 17.45 10 13 -6 180.64 17.07 -10 13 6 278.80 18.66 -10 -13 6 182.59 16.28 10 13 -5 228.99 17.94 10 13 -5 254.32 16.95 -10 13 5 296.18 19.34 -10 -13 5 276.24 18.68 -10 13 4 453.85 22.84 10 13 -4 509.27 23.24 10 13 -4 471.75 19.83 -10 -13 4 509.58 23.38 10 13 -3 417.02 18.15 -10 13 3 417.44 22.35 10 13 -3 422.18 21.94 -10 -13 3 404.75 18.81 10 13 -2 671.09 22.45 -10 13 2 728.64 27.56 10 13 -2 621.90 22.52 -10 -13 2 678.56 27.40 -10 13 1 262.19 20.04 10 13 -1 254.29 15.38 10 13 -1 297.37 20.71 -10 -13 1 261.02 21.80 10 -13 -1 258.97 17.19 10 13 0 33.65 10.44 -10 13 0 8.38 15.79 10 13 0 35.08 14.17 -10 -13 0 48.67 16.09 10 -13 0 27.59 10.31 -10 13 -1 1111.31 34.88 10 13 1 1105.84 35.14 10 13 1 984.01 27.63 10 -13 1 1061.86 29.17 -10 -13 -1 1136.45 36.06 10 13 2 1670.13 44.75 10 13 2 1617.21 38.72 -10 13 -2 1588.42 42.94 10 -13 2 1626.86 40.04 -10 -13 -2 1624.25 44.48 10 13 3 493.95 20.91 -10 13 -3 517.21 24.44 10 -13 3 479.10 19.91 -10 -13 -3 606.35 26.80 -10 13 -4 213.76 15.81 -10 13 -4 189.87 18.42 10 13 4 247.31 20.44 -10 -13 -4 184.11 21.57 10 -13 4 249.98 15.71 -10 13 -5 -7.02 13.48 10 13 5 9.01 14.73 -10 13 -5 -5.94 11.82 10 -13 5 12.61 11.64 -10 -13 -5 -10.39 16.53 10 13 6 121.24 16.30 -10 13 -6 80.98 15.47 -10 13 -6 73.37 14.70 -10 -13 -6 142.37 15.39 10 -13 6 107.96 13.55 10 13 7 175.44 15.38 -10 13 -7 163.19 17.32 -10 13 -7 149.08 15.71 -10 -13 -7 229.81 20.20 10 -13 7 142.53 15.33 -10 13 -8 864.98 31.81 10 13 8 853.25 32.30 -10 13 -8 916.94 29.85 -10 -13 -8 901.79 33.46 10 -13 8 876.54 29.92 10 14 -9 23.34 14.83 10 14 -9 22.13 14.10 -10 14 9 15.73 13.89 -10 14 8 89.03 15.51 10 14 -8 104.21 15.81 10 14 -8 109.66 14.64 10 14 -7 534.76 22.84 -10 14 7 538.38 24.68 10 14 -7 534.79 24.66 -10 -14 7 521.33 22.26 10 14 -6 34.51 12.85 10 14 -6 59.19 14.78 -10 14 6 41.52 14.34 -10 -14 6 39.21 14.14 10 14 -5 478.79 20.55 10 14 -5 498.26 23.29 -10 14 5 491.16 19.62 -10 -14 5 501.83 22.44 10 14 -4 52.65 12.05 10 14 -4 56.95 15.98 -10 14 4 58.24 16.71 -10 -14 4 48.52 15.84 -10 14 3 413.43 20.88 10 14 -3 467.55 20.30 10 14 -3 463.60 25.50 -10 -14 3 449.67 25.65 -10 14 2 62.71 12.18 10 14 -2 60.67 16.72 -10 -14 2 85.92 17.34 10 14 -1 3948.48 86.43 -10 14 1 3804.43 80.12 -10 -14 1 3853.05 82.06 10 14 0 176.21 18.43 -10 14 0 169.62 17.61 -10 -14 0 217.51 19.68 10 14 1 558.37 25.39 -10 14 -1 583.98 22.57 -10 -14 -1 584.50 26.66 -10 14 -2 5.45 15.10 10 14 2 34.51 15.18 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