data_shelxl _audit_creation_method SHELXL-2013 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C25 H25 O4 P Pd S2' _chemical_formula_weight 590.94 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 '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' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pd' 'Pd' 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.2955 0.4335 '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 10.73190(10) _cell_length_b 9.79140(10) _cell_length_c 24.6354(3) _cell_angle_alpha 90 _cell_angle_beta 96.1360(10) _cell_angle_gamma 90 _cell_volume 2573.87(5) _cell_formula_units_Z 4 _cell_measurement_temperature 290(2) _cell_measurement_reflns_used 6139 _cell_measurement_theta_min 4.1420 _cell_measurement_theta_max 69.5110 _exptl_crystal_description block _exptl_crystal_colour ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.525 _exptl_crystal_F_000 1200 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.410 _exptl_crystal_size_mid 0.400 _exptl_crystal_size_min 0.360 _exptl_absorpt_coefficient_mu 8.159 _shelx_estimated_absorpt_T_min 0.135 _shelx_estimated_absorpt_T_max 0.157 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.38267 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 290(2) _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type CuK\a _diffrn_source 'Enhance Ultra (Cu) X-ray Source' _diffrn_measurement_device_type 'Gemini S Ultra, Agilent Technologies' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 15.9149 _diffrn_reflns_number 10113 _diffrn_reflns_av_unetI/netI 0.0349 _diffrn_reflns_av_R_equivalents 0.0253 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 4.143 _diffrn_reflns_theta_max 69.582 _diffrn_reflns_theta_full 67.684 _diffrn_measured_fraction_theta_max 0.978 _diffrn_measured_fraction_theta_full 0.992 _diffrn_reflns_Laue_measured_fraction_max 0.978 _diffrn_reflns_Laue_measured_fraction_full 0.992 _diffrn_reflns_point_group_measured_fraction_max 0.978 _diffrn_reflns_point_group_measured_fraction_full 0.992 _reflns_number_total 4724 _reflns_number_gt 4356 _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 'CrysAlisPro (Agilent Technologies)' _computing_cell_refinement 'CrysAlisPro (Agilent Technologies)' _computing_data_reduction 'CrysAlisPro (Agilent Technologies)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_molecular_graphics 'Ortep-3 (L. J. Farrugia, 2001)' _computing_publication_material SHELXL-2013 _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^)+(0.0597P)^2^+0.3868P] 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 4724 _refine_ls_number_parameters 301 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0357 _refine_ls_R_factor_gt 0.0334 _refine_ls_wR_factor_ref 0.0935 _refine_ls_wR_factor_gt 0.0910 _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_restrained_S_all 1.037 _refine_ls_shift/su_max 0.002 _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 Pd1 Pd 0.47046(2) 0.19108(2) 0.63078(2) 0.04037(9) Uani 1 1 d . . . . . P1 P 0.66104(6) 0.10686(7) 0.61953(3) 0.03675(15) Uani 1 1 d . . . . . S1 S 0.64256(6) 0.35025(7) 0.71895(3) 0.04496(16) Uani 1 1 d . . . . . S2 S 0.28240(7) 0.29899(8) 0.64188(3) 0.0534(2) Uani 1 1 d . . . . . O3 O 0.7125(2) 0.4726(2) 0.73300(11) 0.0665(6) Uani 1 1 d . . . . . O1 O 0.58880(19) 0.3571(2) 0.66088(9) 0.0495(5) Uani 1 1 d . . . . . C14 C 0.6639(4) -0.3463(4) 0.5732(2) 0.0766(12) Uani 1 1 d . . . . . H14 H 0.6615 -0.4384 0.5638 0.092 Uiso 1 1 calc R U . . . O2 O 0.5512(2) 0.3128(3) 0.75480(11) 0.0671(7) Uani 1 1 d . . . . . C25 C 0.2240(5) 0.2448(6) 0.7020(2) 0.111(2) Uani 1 1 d . . . . . H25A H 0.1855 0.1567 0.6962 0.166 Uiso 1 1 calc R U . . . H25B H 0.1630 0.3092 0.7120 0.166 Uiso 1 1 calc R U . . . H25C H 0.2915 0.2387 0.7308 0.166 Uiso 1 1 calc R U . . . C12 C 0.6301(3) -0.1682(3) 0.63622(15) 0.0561(7) Uani 1 1 d . . . . . H12 H 0.6037 -0.1403 0.6692 0.067 Uiso 1 1 calc R U . . . C10 C 0.8741(3) 0.0328(3) 0.68703(12) 0.0467(6) Uani 1 1 d . . . . . H10 H 0.8836 -0.0291 0.6591 0.056 Uiso 1 1 calc R U . . . C11 C 0.6717(3) -0.0720(3) 0.60070(11) 0.0428(6) Uani 1 1 d . . . . . C17 C 0.7285(3) 0.2072(3) 0.56786(11) 0.0420(6) Uani 1 1 d . . . . . C9 C 0.9592(3) 0.0335(3) 0.73155(12) 0.0484(6) Uani 1 1 d . . . . . H9 H 1.0284 -0.0241 0.7328 0.058 Uiso 1 1 calc R U . . . C16 C 0.7091(3) -0.1136(3) 0.55138(13) 0.0537(7) Uani 1 1 d . . . . . H16 H 0.7380 -0.0501 0.5276 0.064 Uiso 1 1 calc R U . . . C22 C 0.6511(3) 0.2449(4) 0.52201(13) 0.0579(8) Uani 1 1 d . . . . . H22 H 0.5678 0.2169 0.5181 0.069 Uiso 1 1 calc R U . . . C3 C 0.8417(3) 0.2117(3) 0.77277(11) 0.0407(6) Uani 1 1 d . . . . . C2 C 0.7580(2) 0.2155(3) 0.72349(11) 0.0378(5) Uani 1 1 d . . . . . C8 C 0.9447(3) 0.1210(3) 0.77643(11) 0.0450(6) Uani 1 1 d . . . . . O4 O 0.1831(3) 0.3033(5) 0.59685(16) 0.1239(17) Uani 1 1 d . . . . . C15 C 0.7032(4) -0.2516(4) 0.53765(16) 0.0712(11) Uani 1 1 d . . . . . H15 H 0.7261 -0.2798 0.5041 0.085 Uiso 1 1 calc R U . . . C23 C 0.3746(3) 0.0281(4) 0.59720(15) 0.0597(8) Uani 1 1 d . . . . . H23A H 0.4134 -0.0033 0.5661 0.090 Uiso 1 1 calc R U . . . H23B H 0.2896 0.0544 0.5859 0.090 Uiso 1 1 calc R U . . . H23C H 0.3754 -0.0439 0.6237 0.090 Uiso 1 1 calc R U . . . C20 C 0.8182(4) 0.3689(4) 0.48798(15) 0.0685(9) Uani 1 1 d . . . . . H20 H 0.8483 0.4233 0.4613 0.082 Uiso 1 1 calc R U . . . C6 C 1.0096(4) 0.1932(4) 0.86854(14) 0.0668(10) Uani 1 1 d . . . . . H6 H 1.0647 0.1880 0.9003 0.080 Uiso 1 1 calc R U . . . C7 C 1.0291(3) 0.1151(4) 0.82454(14) 0.0598(8) Uani 1 1 d . . . . . H7 H 1.0984 0.0576 0.8261 0.072 Uiso 1 1 calc R U . . . C5 C 0.9072(4) 0.2807(4) 0.86595(13) 0.0610(8) Uani 1 1 d . . . . . H5 H 0.8942 0.3329 0.8964 0.073 Uiso 1 1 calc R U . . . C21 C 0.6962(4) 0.3241(4) 0.48169(15) 0.0700(10) Uani 1 1 d . . . . . H21 H 0.6439 0.3469 0.4505 0.084 Uiso 1 1 calc R U . . . C24 C 0.3149(4) 0.4714(4) 0.6595(2) 0.0935(15) Uani 1 1 d . . . . . H24A H 0.3642 0.4754 0.6944 0.140 Uiso 1 1 calc R U . . . H24B H 0.2376 0.5197 0.6614 0.140 Uiso 1 1 calc R U . . . H24C H 0.3605 0.5128 0.6324 0.140 Uiso 1 1 calc R U . . . C1 C 0.7701(2) 0.1242(3) 0.68163(10) 0.0381(5) Uani 1 1 d . . . . . C18 C 0.8513(3) 0.2519(5) 0.57357(15) 0.0668(9) Uani 1 1 d . . . . . H18 H 0.9047 0.2276 0.6043 0.080 Uiso 1 1 calc R U . . . C4 C 0.8251(3) 0.2919(3) 0.81971(12) 0.0507(7) Uani 1 1 d . . . . . H4 H 0.7580 0.3523 0.8189 0.061 Uiso 1 1 calc R U . . . C13 C 0.6279(4) -0.3052(3) 0.62268(19) 0.0692(11) Uani 1 1 d . . . . . H13 H 0.6022 -0.3695 0.6469 0.083 Uiso 1 1 calc R U . . . C19 C 0.8951(4) 0.3331(5) 0.53348(18) 0.0781(12) Uani 1 1 d . . . . . H19 H 0.9777 0.3635 0.5377 0.094 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pd1 0.03452(13) 0.04579(15) 0.04031(14) -0.00182(7) 0.00174(8) 0.00340(7) P1 0.0357(3) 0.0389(3) 0.0355(3) -0.0008(2) 0.0032(2) 0.0021(2) S1 0.0429(3) 0.0417(4) 0.0497(4) -0.0077(3) 0.0020(3) 0.0043(3) S2 0.0396(4) 0.0674(5) 0.0527(4) 0.0024(3) 0.0028(3) 0.0140(3) O3 0.0737(15) 0.0413(12) 0.0790(16) -0.0122(11) -0.0168(12) 0.0016(11) O1 0.0492(11) 0.0416(10) 0.0553(12) -0.0008(9) -0.0050(9) 0.0039(9) C14 0.074(2) 0.0448(19) 0.104(3) -0.016(2) -0.024(2) 0.0075(17) O2 0.0565(14) 0.0821(18) 0.0658(15) -0.0050(11) 0.0209(12) 0.0112(11) C25 0.112(4) 0.096(3) 0.139(5) 0.055(3) 0.084(4) 0.038(3) C12 0.0585(18) 0.0495(17) 0.0593(19) 0.0037(14) 0.0023(14) -0.0016(14) C10 0.0437(14) 0.0509(16) 0.0455(15) -0.0028(12) 0.0049(11) 0.0077(12) C11 0.0416(13) 0.0408(14) 0.0445(14) -0.0031(11) -0.0024(11) 0.0058(11) C17 0.0449(15) 0.0440(15) 0.0377(13) -0.0001(10) 0.0068(11) 0.0006(11) C9 0.0378(13) 0.0531(17) 0.0539(16) 0.0029(13) 0.0024(11) 0.0089(12) C16 0.0568(17) 0.0566(18) 0.0466(15) -0.0090(13) -0.0001(13) 0.0085(14) C22 0.0489(16) 0.074(2) 0.0495(17) 0.0101(15) -0.0017(13) -0.0085(16) C3 0.0383(13) 0.0452(14) 0.0390(13) 0.0022(11) 0.0060(10) -0.0078(11) C2 0.0355(12) 0.0369(13) 0.0418(13) 0.0025(10) 0.0076(10) 0.0000(10) C8 0.0381(13) 0.0552(17) 0.0413(14) 0.0034(12) 0.0020(11) -0.0070(12) O4 0.076(2) 0.184(4) 0.101(3) -0.040(2) -0.0363(19) 0.062(2) C15 0.074(2) 0.071(2) 0.065(2) -0.0298(19) -0.0114(18) 0.0178(19) C23 0.0463(16) 0.063(2) 0.068(2) -0.0061(16) -0.0034(14) -0.0082(14) C20 0.077(2) 0.075(2) 0.0555(19) 0.0135(17) 0.0163(17) -0.0131(19) C6 0.059(2) 0.090(3) 0.0473(19) 0.0019(16) -0.0104(15) -0.0149(17) C7 0.0429(15) 0.078(2) 0.0561(18) 0.0044(16) -0.0068(13) -0.0025(14) C5 0.069(2) 0.074(2) 0.0400(16) -0.0084(15) 0.0032(14) -0.0171(18) C21 0.074(2) 0.087(3) 0.0469(18) 0.0210(17) -0.0013(16) -0.0092(19) C24 0.079(3) 0.058(2) 0.149(5) 0.009(3) 0.040(3) 0.024(2) C1 0.0363(12) 0.0413(14) 0.0368(12) 0.0013(10) 0.0036(10) 0.0002(10) C18 0.0481(17) 0.089(3) 0.062(2) 0.0210(19) -0.0011(15) -0.0089(18) C4 0.0540(17) 0.0548(18) 0.0430(15) -0.0037(12) 0.0043(13) -0.0069(13) C13 0.062(2) 0.046(2) 0.096(3) 0.0091(17) -0.009(2) -0.0023(14) C19 0.057(2) 0.103(3) 0.074(3) 0.024(2) 0.0091(18) -0.023(2) _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 Pd1 C23 2.026(3) . ? Pd1 O1 2.145(2) . ? Pd1 P1 2.2498(7) . ? Pd1 S2 2.3200(7) . ? P1 C17 1.818(3) . ? P1 C11 1.819(3) . ? P1 C1 1.832(3) . ? S1 O2 1.436(3) . ? S1 O3 1.437(2) . ? S1 O1 1.486(2) . ? S1 C2 1.805(3) . ? S2 O4 1.454(3) . ? S2 C25 1.752(4) . ? S2 C24 1.769(5) . ? C14 C15 1.372(7) . ? C14 C13 1.379(6) . ? C14 H14 0.9300 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C12 C13 1.381(5) . ? C12 C11 1.391(4) . ? C12 H12 0.9300 . ? C10 C9 1.350(4) . ? C10 C1 1.426(4) . ? C10 H10 0.9300 . ? C11 C16 1.381(4) . ? C17 C22 1.379(4) . ? C17 C18 1.382(4) . ? C9 C8 1.420(4) . ? C9 H9 0.9300 . ? C16 C15 1.393(5) . ? C16 H16 0.9300 . ? C22 C21 1.388(5) . ? C22 H22 0.9300 . ? C3 C8 1.413(4) . ? C3 C4 1.425(4) . ? C3 C2 1.432(4) . ? C2 C1 1.381(4) . ? C8 C7 1.414(4) . ? C15 H15 0.9300 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C20 C19 1.365(6) . ? C20 C21 1.373(6) . ? C20 H20 0.9300 . ? C6 C7 1.361(5) . ? C6 C5 1.390(6) . ? C6 H6 0.9300 . ? C7 H7 0.9300 . ? C5 C4 1.368(5) . ? C5 H5 0.9300 . ? C21 H21 0.9300 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C18 C19 1.388(5) . ? C18 H18 0.9300 . ? C4 H4 0.9300 . ? C13 H13 0.9300 . ? C19 H19 0.9300 . ? 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 C23 Pd1 O1 173.45(12) . . ? C23 Pd1 P1 95.15(10) . . ? O1 Pd1 P1 78.92(6) . . ? C23 Pd1 S2 89.80(10) . . ? O1 Pd1 S2 96.01(6) . . ? P1 Pd1 S2 174.41(3) . . ? C17 P1 C11 107.54(13) . . ? C17 P1 C1 105.54(13) . . ? C11 P1 C1 104.51(12) . . ? C17 P1 Pd1 108.86(10) . . ? C11 P1 Pd1 117.85(9) . . ? C1 P1 Pd1 111.78(9) . . ? O2 S1 O3 116.01(17) . . ? O2 S1 O1 112.54(15) . . ? O3 S1 O1 109.49(14) . . ? O2 S1 C2 106.53(14) . . ? O3 S1 C2 104.91(13) . . ? O1 S1 C2 106.60(12) . . ? O4 S2 C25 110.8(3) . . ? O4 S2 C24 105.6(3) . . ? C25 S2 C24 99.2(3) . . ? O4 S2 Pd1 119.92(15) . . ? C25 S2 Pd1 110.85(17) . . ? C24 S2 Pd1 108.21(15) . . ? S1 O1 Pd1 116.96(12) . . ? C15 C14 C13 120.0(3) . . ? C15 C14 H14 120.0 . . ? C13 C14 H14 120.0 . . ? S2 C25 H25A 109.5 . . ? S2 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? S2 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C13 C12 C11 120.2(4) . . ? C13 C12 H12 119.9 . . ? C11 C12 H12 119.9 . . ? C9 C10 C1 121.8(3) . . ? C9 C10 H10 119.1 . . ? C1 C10 H10 119.1 . . ? C16 C11 C12 119.8(3) . . ? C16 C11 P1 122.7(2) . . ? C12 C11 P1 117.3(2) . . ? C22 C17 C18 118.9(3) . . ? C22 C17 P1 117.9(2) . . ? C18 C17 P1 123.1(2) . . ? C10 C9 C8 121.0(3) . . ? C10 C9 H9 119.5 . . ? C8 C9 H9 119.5 . . ? C11 C16 C15 119.3(3) . . ? C11 C16 H16 120.4 . . ? C15 C16 H16 120.4 . . ? C17 C22 C21 120.7(3) . . ? C17 C22 H22 119.7 . . ? C21 C22 H22 119.7 . . ? C8 C3 C4 117.4(3) . . ? C8 C3 C2 119.1(3) . . ? C4 C3 C2 123.5(3) . . ? C1 C2 C3 121.0(2) . . ? C1 C2 S1 123.1(2) . . ? C3 C2 S1 115.8(2) . . ? C3 C8 C7 120.4(3) . . ? C3 C8 C9 118.7(2) . . ? C7 C8 C9 121.0(3) . . ? C14 C15 C16 120.7(4) . . ? C14 C15 H15 119.6 . . ? C16 C15 H15 119.6 . . ? Pd1 C23 H23A 109.5 . . ? Pd1 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? Pd1 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C19 C20 C21 119.7(3) . . ? C19 C20 H20 120.1 . . ? C21 C20 H20 120.1 . . ? C7 C6 C5 119.9(3) . . ? C7 C6 H6 120.1 . . ? C5 C6 H6 120.1 . . ? C6 C7 C8 120.4(3) . . ? C6 C7 H7 119.8 . . ? C8 C7 H7 119.8 . . ? C4 C5 C6 121.6(3) . . ? C4 C5 H5 119.2 . . ? C6 C5 H5 119.2 . . ? C20 C21 C22 119.9(3) . . ? C20 C21 H21 120.0 . . ? C22 C21 H21 120.0 . . ? S2 C24 H24A 109.5 . . ? S2 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? S2 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C2 C1 C10 118.2(2) . . ? C2 C1 P1 125.5(2) . . ? C10 C1 P1 116.3(2) . . ? C17 C18 C19 120.1(3) . . ? C17 C18 H18 120.0 . . ? C19 C18 H18 120.0 . . ? C5 C4 C3 120.4(3) . . ? C5 C4 H4 119.8 . . ? C3 C4 H4 119.8 . . ? C14 C13 C12 119.9(4) . . ? C14 C13 H13 120.1 . . ? C12 C13 H13 120.1 . . ? C20 C19 C18 120.7(4) . . ? C20 C19 H19 119.7 . . ? C18 C19 H19 119.7 . . ? 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 O2 S1 O1 Pd1 -45.91(18) . . . . ? O3 S1 O1 Pd1 -176.50(14) . . . . ? C2 S1 O1 Pd1 70.52(15) . . . . ? C13 C12 C11 C16 0.9(5) . . . . ? C13 C12 C11 P1 175.8(3) . . . . ? C17 P1 C11 C16 -8.1(3) . . . . ? C1 P1 C11 C16 -119.9(2) . . . . ? Pd1 P1 C11 C16 115.3(2) . . . . ? C17 P1 C11 C12 177.2(2) . . . . ? C1 P1 C11 C12 65.4(3) . . . . ? Pd1 P1 C11 C12 -59.4(3) . . . . ? C11 P1 C17 C22 87.0(3) . . . . ? C1 P1 C17 C22 -161.8(3) . . . . ? Pd1 P1 C17 C22 -41.7(3) . . . . ? C11 P1 C17 C18 -95.8(3) . . . . ? C1 P1 C17 C18 15.3(3) . . . . ? Pd1 P1 C17 C18 135.4(3) . . . . ? C1 C10 C9 C8 3.5(5) . . . . ? C12 C11 C16 C15 0.8(5) . . . . ? P1 C11 C16 C15 -173.7(2) . . . . ? C18 C17 C22 C21 1.3(6) . . . . ? P1 C17 C22 C21 178.5(3) . . . . ? C8 C3 C2 C1 5.6(4) . . . . ? C4 C3 C2 C1 -172.3(3) . . . . ? C8 C3 C2 S1 -171.7(2) . . . . ? C4 C3 C2 S1 10.4(4) . . . . ? O2 S1 C2 C1 109.2(2) . . . . ? O3 S1 C2 C1 -127.3(2) . . . . ? O1 S1 C2 C1 -11.2(3) . . . . ? O2 S1 C2 C3 -73.5(2) . . . . ? O3 S1 C2 C3 50.0(2) . . . . ? O1 S1 C2 C3 166.1(2) . . . . ? C4 C3 C8 C7 -2.1(4) . . . . ? C2 C3 C8 C7 179.9(3) . . . . ? C4 C3 C8 C9 176.1(3) . . . . ? C2 C3 C8 C9 -1.9(4) . . . . ? C10 C9 C8 C3 -2.5(4) . . . . ? C10 C9 C8 C7 175.6(3) . . . . ? C13 C14 C15 C16 1.0(6) . . . . ? C11 C16 C15 C14 -1.8(5) . . . . ? C5 C6 C7 C8 -1.0(6) . . . . ? C3 C8 C7 C6 2.4(5) . . . . ? C9 C8 C7 C6 -175.8(3) . . . . ? C7 C6 C5 C4 -0.7(6) . . . . ? C19 C20 C21 C22 1.1(7) . . . . ? C17 C22 C21 C20 -1.8(6) . . . . ? C3 C2 C1 C10 -4.7(4) . . . . ? S1 C2 C1 C10 172.4(2) . . . . ? C3 C2 C1 P1 173.7(2) . . . . ? S1 C2 C1 P1 -9.1(3) . . . . ? C9 C10 C1 C2 0.2(4) . . . . ? C9 C10 C1 P1 -178.4(2) . . . . ? C17 P1 C1 C2 96.9(2) . . . . ? C11 P1 C1 C2 -149.9(2) . . . . ? Pd1 P1 C1 C2 -21.3(3) . . . . ? C17 P1 C1 C10 -84.7(2) . . . . ? C11 P1 C1 C10 28.6(2) . . . . ? Pd1 P1 C1 C10 157.14(19) . . . . ? C22 C17 C18 C19 -0.1(6) . . . . ? P1 C17 C18 C19 -177.3(3) . . . . ? C6 C5 C4 C3 0.9(5) . . . . ? C8 C3 C4 C5 0.5(4) . . . . ? C2 C3 C4 C5 178.4(3) . . . . ? C15 C14 C13 C12 0.8(6) . . . . ? C11 C12 C13 C14 -1.7(6) . . . . ? C21 C20 C19 C18 0.0(7) . . . . ? C17 C18 C19 C20 -0.5(7) . . . . ? _refine_diff_density_max 0.527 _refine_diff_density_min -0.727 _refine_diff_density_rms 0.118 _shelxl_version_number 2013-4 _shelx_res_file ; TITL wu-ph in P2(1)/c CELL 1.54184 10.7319 9.7914 24.6354 90.000 96.136 90.000 ZERR 4.00 0.0001 0.0001 0.0003 0.000 0.001 0.000 LATT 1 SYMM - X, 1/2 + Y, 1/2 - Z SFAC C H O S PD P UNIT 100 100 16 8 4 4 MERG 2 FMAP 2 PLAN 25 SIZE 0.36 0.40 0.41 ACTA BOND $H CONF L.S. 14 WGHT 0.059700 0.386800 FVAR 4.22866 PD1 5 0.470458 0.191081 0.630785 11.00000 0.03452 0.04579 = 0.04031 -0.00182 0.00174 0.00340 P1 6 0.661045 0.106857 0.619527 11.00000 0.03569 0.03892 = 0.03553 -0.00081 0.00325 0.00209 S1 4 0.642558 0.350247 0.718950 11.00000 0.04289 0.04166 = 0.04968 -0.00767 0.00197 0.00430 S2 4 0.282397 0.298991 0.641881 11.00000 0.03961 0.06739 = 0.05267 0.00244 0.00281 0.01404 O3 3 0.712498 0.472642 0.733001 11.00000 0.07368 0.04134 = 0.07902 -0.01216 -0.01676 0.00161 O1 3 0.588801 0.357051 0.660883 11.00000 0.04925 0.04158 = 0.05530 -0.00076 -0.00497 0.00394 C14 1 0.663884 -0.346323 0.573155 11.00000 0.07359 0.04479 = 0.10417 -0.01616 -0.02415 0.00746 AFIX 43 H14 2 0.661512 -0.438379 0.563805 11.00000 -1.20000 AFIX 0 O2 3 0.551193 0.312773 0.754802 11.00000 0.05650 0.08205 = 0.06583 -0.00499 0.02086 0.01119 C25 1 0.224003 0.244766 0.702040 11.00000 0.11205 0.09626 = 0.13877 0.05504 0.08405 0.03798 AFIX 137 H25A 2 0.185485 0.156737 0.696235 11.00000 -1.50000 H25B 2 0.162985 0.309173 0.712033 11.00000 -1.50000 H25C 2 0.291544 0.238676 0.730814 11.00000 -1.50000 AFIX 0 C12 1 0.630099 -0.168248 0.636217 11.00000 0.05854 0.04952 = 0.05929 0.00369 0.00230 -0.00156 AFIX 43 H12 2 0.603684 -0.140259 0.669199 11.00000 -1.20000 AFIX 0 C10 1 0.874100 0.032795 0.687031 11.00000 0.04374 0.05087 = 0.04551 -0.00277 0.00485 0.00774 AFIX 43 H10 2 0.883561 -0.029054 0.659116 11.00000 -1.20000 AFIX 0 C11 1 0.671681 -0.072029 0.600701 11.00000 0.04161 0.04080 = 0.04452 -0.00308 -0.00238 0.00579 C17 1 0.728481 0.207221 0.567858 11.00000 0.04492 0.04405 = 0.03769 -0.00007 0.00683 0.00064 C9 1 0.959230 0.033518 0.731554 11.00000 0.03775 0.05308 = 0.05395 0.00289 0.00242 0.00893 AFIX 43 H9 2 1.028383 -0.024088 0.732846 11.00000 -1.20000 AFIX 0 C16 1 0.709145 -0.113562 0.551382 11.00000 0.05683 0.05661 = 0.04658 -0.00900 -0.00014 0.00850 AFIX 43 H16 2 0.738036 -0.050060 0.527598 11.00000 -1.20000 AFIX 0 C22 1 0.651125 0.244885 0.522008 11.00000 0.04895 0.07368 = 0.04948 0.01010 -0.00174 -0.00850 AFIX 43 H22 2 0.567841 0.216888 0.518055 11.00000 -1.20000 AFIX 0 C3 1 0.841708 0.211688 0.772771 11.00000 0.03826 0.04523 = 0.03903 0.00223 0.00597 -0.00776 C2 1 0.757985 0.215511 0.723485 11.00000 0.03551 0.03686 = 0.04181 0.00249 0.00762 -0.00002 C8 1 0.944689 0.120960 0.776426 11.00000 0.03808 0.05518 = 0.04132 0.00335 0.00204 -0.00702 O4 3 0.183123 0.303271 0.596849 11.00000 0.07619 0.18445 = 0.10130 -0.04018 -0.03628 0.06192 C15 1 0.703190 -0.251562 0.537654 11.00000 0.07355 0.07097 = 0.06501 -0.02977 -0.01141 0.01781 AFIX 43 H15 2 0.726098 -0.279784 0.504068 11.00000 -1.20000 AFIX 0 C23 1 0.374582 0.028143 0.597202 11.00000 0.04628 0.06252 = 0.06819 -0.00614 -0.00343 -0.00821 AFIX 137 H23A 2 0.413353 -0.003274 0.566134 11.00000 -1.50000 H23B 2 0.289579 0.054371 0.585874 11.00000 -1.50000 H23C 2 0.375394 -0.043857 0.623687 11.00000 -1.50000 AFIX 0 C20 1 0.818196 0.368885 0.487980 11.00000 0.07709 0.07496 = 0.05547 0.01352 0.01634 -0.01312 AFIX 43 H20 2 0.848278 0.423342 0.461329 11.00000 -1.20000 AFIX 0 C6 1 1.009602 0.193209 0.868544 11.00000 0.05948 0.09019 = 0.04734 0.00187 -0.01039 -0.01494 AFIX 43 H6 2 1.064691 0.188006 0.900290 11.00000 -1.20000 AFIX 0 C7 1 1.029109 0.115115 0.824540 11.00000 0.04291 0.07794 = 0.05606 0.00443 -0.00678 -0.00246 AFIX 43 H7 2 1.098353 0.057582 0.826123 11.00000 -1.20000 AFIX 0 C5 1 0.907219 0.280728 0.865949 11.00000 0.06863 0.07376 = 0.04004 -0.00837 0.00324 -0.01708 AFIX 43 H5 2 0.894217 0.332940 0.896372 11.00000 -1.20000 AFIX 0 C21 1 0.696231 0.324134 0.481694 11.00000 0.07417 0.08735 = 0.04694 0.02097 -0.00126 -0.00917 AFIX 43 H21 2 0.643922 0.346915 0.450452 11.00000 -1.20000 AFIX 0 C24 1 0.314894 0.471438 0.659534 11.00000 0.07936 0.05754 = 0.14943 0.00873 0.03970 0.02439 AFIX 137 H24A 2 0.364175 0.475356 0.694393 11.00000 -1.50000 H24B 2 0.237622 0.519727 0.661412 11.00000 -1.50000 H24C 2 0.360521 0.512815 0.632375 11.00000 -1.50000 AFIX 0 C1 1 0.770101 0.124241 0.681635 11.00000 0.03626 0.04131 = 0.03678 0.00125 0.00358 0.00020 C18 1 0.851282 0.251938 0.573568 11.00000 0.04812 0.08911 = 0.06158 0.02100 -0.00106 -0.00894 AFIX 43 H18 2 0.904654 0.227622 0.604290 11.00000 -1.20000 AFIX 0 C4 1 0.825055 0.291948 0.819705 11.00000 0.05401 0.05483 = 0.04300 -0.00369 0.00428 -0.00687 AFIX 43 H4 2 0.757966 0.352296 0.818905 11.00000 -1.20000 AFIX 0 C13 1 0.627902 -0.305155 0.622680 11.00000 0.06199 0.04604 = 0.09583 0.00908 -0.00914 -0.00230 AFIX 43 H13 2 0.602193 -0.369478 0.646929 11.00000 -1.20000 AFIX 0 C19 1 0.895083 0.333141 0.533484 11.00000 0.05750 0.10309 = 0.07415 0.02385 0.00910 -0.02277 AFIX 43 H19 2 0.977667 0.363487 0.537686 11.00000 -1.20000 AFIX 0 HKLF 4 REM wu-ph in P2(1)/c REM R1 = 0.0334 for 4356 Fo > 4sig(Fo) and 0.0357 for all 4724 data REM 301 parameters refined using 0 restraints END WGHT 0.0595 0.3955 REM Highest difference peak 0.527, deepest hole -0.727, 1-sigma level 0.118 Q1 1 0.4725 0.0989 0.6329 11.00000 0.05 0.53 Q2 1 0.1600 0.2036 0.6222 11.00000 0.05 0.49 Q3 1 0.6525 0.1962 0.6121 11.00000 0.05 0.39 Q4 1 0.6662 0.0179 0.6118 11.00000 0.05 0.38 Q5 1 0.5958 0.1857 0.6371 11.00000 0.05 0.35 Q6 1 0.9834 -0.0519 0.4915 11.00000 0.05 0.35 Q7 1 0.0323 0.1748 0.6913 11.00000 0.05 0.34 Q8 1 1.0168 0.2149 0.6703 11.00000 0.05 0.32 Q9 1 0.9140 0.1234 0.6952 11.00000 0.05 0.32 Q10 1 1.0071 0.1977 0.6514 11.00000 0.05 0.32 Q11 1 0.6779 0.3794 0.5943 11.00000 0.05 0.32 Q12 1 0.9580 0.2785 0.6580 11.00000 0.05 0.31 Q13 1 0.1155 0.2618 0.6934 11.00000 0.05 0.30 Q14 1 0.0134 0.3016 0.6989 11.00000 0.05 0.30 Q15 1 0.8684 0.1038 0.6777 11.00000 0.05 0.29 Q16 1 1.0526 0.2358 0.9474 11.00000 0.05 0.29 Q17 1 1.0674 0.3393 0.9286 11.00000 0.05 0.29 Q18 1 1.0204 -0.1022 0.8214 11.00000 0.05 0.28 Q19 1 0.7482 0.2998 0.6203 11.00000 0.05 0.28 Q20 1 0.9579 0.0839 0.7589 11.00000 0.05 0.28 Q21 1 1.0086 0.2749 0.9655 11.00000 0.05 0.28 Q22 1 0.9609 0.3115 0.9462 11.00000 0.05 0.28 Q23 1 0.8549 0.2646 0.8542 11.00000 0.05 0.28 Q24 1 0.2702 0.4258 0.6301 11.00000 0.05 0.28 Q25 1 0.9361 0.3696 0.9143 11.00000 0.05 0.27 ; _shelx_res_checksum 46844 _shelx_hkl_file ; 0 0 3 38.8909 31.8429 14 0 0 3 98.6174 32.7057 13 0 0 5 148.012 51.3779 13 0 0 5 602.501 116.528 14 0 0 6 6601.96 326.593 13 0 0 6 6268.29 403.127 14 0 0 7 55.3253 87.7500 14 0 0 7 97.1231 49.2216 15 0 0 7 134.350 56.6302 13 0 0 8 943870. 24759.1 14 0 0 8 927959. 24512.7 13 0 0 9 81.3807 53.8955 13 0 0 9 148.625 99.3289 14 0 0 9 117.715 95.4916 16 0 0 9 105.290 46.8025 15 0 0 10 98437.8 3456.71 14 0 0 10 99362.8 3449.81 16 0 0 10 103183. 3189.48 13 0 0 11 504.072 177.955 14 0 0 11 372.159 166.660 16 0 0 12 361375. 10916.5 14 0 0 12 345386. 10881.5 16 0 0 13-3.28754 128.107 14 0 0 13 133.369 147.008 16 0 0 14 77385.4 3084.68 16 0 0 14 80387.0 3106.13 14 0 0 15-39.6748 175.548 16 0 0 15-241.568 164.686 14 0 0 16 76788.9 3173.07 14 0 0 -16 77061.8 3213.75 1 0 0 16 73941.3 3154.37 16 0 0 17 285.497 171.453 16 0 0 17-32.6620 179.163 14 0 0 -17-42.3981 157.695 1 0 0 -18 15397.5 1254.54 1 0 0 18 14684.7 1216.08 16 0 0 18 15744.3 1230.79 14 0 0 19 142.297 118.248 9 0 0 20 173541. 5778.61 9 0 0 20 182081. 5876.10 10 0 0 21 227.581 157.963 10 0 0 22 78690.1 3026.95 10 0 0 23 54.2457 158.044 10 0 0 24 2096.07 351.340 10 0 0 25 42.3355 143.106 10 0 0 26 21558.2 1191.01 10 0 0 27-32.1769 142.230 10 0 0 28 1966.97 295.938 10 0 0 29 123.566 117.691 10 0 1 0 18.1870 20.9638 13 0 1 1 42551.5 1411.92 13 0 1 1 45787.2 1328.85 14 0 1 -1 42521.2 1361.99 13 0 -1 1 45220.3 1330.84 14 0 -1 3 51122.9 1606.41 14 0 1 3 49448.7 1641.01 13 0 1 3 50739.6 1602.67 14 0 -1 4 72959.9 2173.86 13 0 1 4 73840.1 2341.01 13 0 -1 4 75726.7 2326.51 14 0 1 4 73754.9 2319.54 14 0 1 5 339127. 9467.28 14 0 1 5 330710. 9460.84 13 0 -1 5 327399. 9463.45 14 0 1 6 264842. 8039.27 14 0 1 6 272704. 8018.99 13 0 -1 6 261244. 8040.95 14 0 -1 7 30094.3 933.559 13 0 1 7 28075.6 1175.33 14 0 -1 7 29143.1 1188.40 14 0 1 7 29703.1 1144.85 13 0 1 8 3114.29 279.259 13 0 -1 8 3126.87 160.864 13 0 1 8 3108.25 311.267 16 0 -1 8 3032.74 310.661 16 0 -1 8 3070.18 306.609 14 0 1 8 3122.19 309.970 14 0 1 9 17809.3 906.479 14 0 1 9 18730.1 840.677 13 0 -1 9 17707.8 905.479 14 0 -1 9 17218.8 895.677 16 0 1 9 17505.2 898.311 16 0 -1 10 252694. 7873.74 14 0 1 10 254874. 7874.89 16 0 1 10 255376. 7876.62 14 0 1 10 256728. 7714.76 13 0 -1 10 246813. 7860.52 16 0 1 11 255.345 119.473 14 0 1 11 336.595 105.532 13 0 -1 11 315.739 132.901 14 0 -1 11 190.335 87.2200 15 0 1 12 91295.4 3317.63 14 0 1 12 91865.8 3320.65 16 0 -1 12 89383.7 3303.15 16 0 -1 12 92556.0 3324.68 14 0 -1 13 133261. 4658.53 16 0 1 13 133980. 4654.07 14 0 -1 13 136799. 4668.00 14 0 1 13 133513. 4660.38 16 0 1 14 80137.4 3104.69 14 0 -1 14 78480.7 3102.56 16 0 -1 14 77844.7 3087.80 14 0 1 14 79324.9 3114.20 16 0 1 15 38011.6 1880.95 14 0 1 15 36750.5 1873.51 16 0 -1 15 36672.3 1860.01 14 0 -1 15 37892.1 1891.03 16 0 -1 16 68954.3 2991.88 14 0 1 -16 70723.1 3046.37 1 0 -1 16 72802.0 3058.32 16 0 1 16 72674.7 3064.28 16 0 1 16 72388.2 3032.63 14 0 -1 -16 70608.9 3041.82 1 0 -1 -17 20902.8 1423.70 1 0 1 -17 21507.5 1437.55 1 0 -1 17 20411.6 1383.22 14 0 1 17 20576.5 1390.31 14 0 -1 17 22320.5 1462.95 16 0 1 17 20838.9 1423.77 16 0 -1 -18 24024.8 1618.06 1 0 1 18 24156.9 1210.10 9 0 1 18 25324.4 1642.42 16 0 1 18 25328.5 1617.09 14 0 1 -18 25726.1 1666.71 1 0 -1 18 26265.9 1639.17 14 0 1 19 21651.1 1151.67 10 0 1 19 20303.0 1112.05 9 0 -1 20 8142.03 659.028 10 0 1 20 7035.58 627.484 10 0 1 20 7514.39 630.090 9 0 -1 21 891.654 254.434 10 0 1 21 1124.54 265.938 10 0 -1 22 38129.5 1762.99 10 0 1 22 36494.2 1663.77 11 0 1 22 37941.8 1756.00 10 0 -1 23 1363.20 286.650 10 0 1 23 1534.99 302.271 10 0 1 24 8934.78 736.823 10 0 -1 24 10095.1 777.768 10 0 1 25 1525.82 304.833 10 0 -1 25 1725.79 327.900 10 0 -1 26 486.853 186.638 10 0 1 26 591.308 213.569 10 0 1 27 3454.46 401.988 10 0 -1 27 3305.84 399.049 10 0 -1 28 3786.35 399.080 10 0 1 28 4266.16 417.629 10 0 -1 29-10.3118 96.9307 10 0 1 29 54.0412 89.9730 10 0 2 -1 47213.2 1573.04 13 0 2 1 49308.5 1628.33 13 0 -2 2 10438.2 388.315 14 0 2 2 10708.0 524.457 13 0 -2 2 10247.6 390.880 16 0 2 -2 10370.5 445.556 13 0 2 -2 10079.6 512.730 17 0 2 2 10334.2 385.833 16 0 2 2 10645.3 383.505 14 0 -2 3 221262. 6529.18 16 0 2 3 219149. 6516.92 14 0 2 3 220461. 6687.63 13 0 -2 3 224887. 6527.29 14 0 2 3 222467. 6524.34 16 0 2 4 246335. 7214.57 14 0 -2 4 241434. 7214.82 14 0 -2 4 235668. 7214.58 16 0 2 4 251698. 7218.70 16 0 2 4 244543. 7357.80 13 0 -2 5 141818. 4348.20 14 0 2 5 139475. 4342.84 16 0 -2 5 141240. 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7315.25 539.092 11 5 4 21 6736.73 514.185 6 5 4 22 4701.47 403.818 11 5 4 22 4631.03 391.540 6 5 4 23 7017.73 446.900 11 5 4 23 6416.90 436.782 6 -5 5 25 8777.80 551.525 11 -5 5 24 686.168 169.178 11 -5 5 24 386.685 115.359 9 -5 5 23 2384.66 280.682 12 -5 5 23 2562.35 300.612 9 -5 5 22 1100.81 221.369 12 -5 5 22 820.391 187.671 9 -5 5 21 7481.57 585.637 12 -5 5 21 7146.41 564.701 9 -5 5 20 6792.14 583.664 12 -5 5 20 6981.41 569.427 9 -5 5 19 4745.90 491.042 12 -5 5 19 4440.27 456.193 9 -5 5 18 3318.90 417.230 12 -5 5 18 3532.54 413.430 9 -5 5 17 11261.4 809.369 12 -5 5 17 10839.0 765.277 9 -5 5 16 47.4558 120.643 9 5 5 -15 20708.5 1164.32 5 -5 5 15 19069.5 1071.11 9 5 5 -14 3.02172 102.713 7 5 5 -14 81.5494 105.221 5 -5 5 14-44.0041 60.1327 9 5 5 -13 6203.67 568.217 7 5 5 -13 5614.03 556.983 5 5 5 -12 8020.31 655.468 7 5 5 -12 8146.89 667.040 5 5 5 -11 10483.4 747.677 7 5 5 -11 9927.19 742.180 5 5 5 -10 15112.3 922.277 7 5 5 -10 14542.2 911.290 5 5 5 -9 8870.86 661.254 7 5 5 -9 7565.31 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258.020 11 5 6 0 2034.08 341.961 8 5 6 1 5163.21 532.311 7 5 6 1 5106.38 473.858 11 -5 6 -1 5938.41 526.678 4 5 6 1 5650.06 572.060 8 5 6 2 6971.23 636.452 7 5 6 2 8726.70 627.760 11 -5 6 -2 8085.26 624.078 4 5 6 2 7418.15 692.753 8 5 6 3 35048.0 1515.64 11 -5 6 -3 31991.0 1480.80 4 5 6 3 32039.0 1695.44 8 5 6 4 14379.3 876.213 11 -5 6 -4 14008.2 861.925 4 5 6 4 13440.1 1026.44 8 -5 6 -5 1966.85 315.077 4 5 6 5 1632.36 287.460 11 -5 6 -5 1580.32 304.103 3 5 6 5 1588.04 345.708 8 -5 6 -6 477.390 188.556 4 5 6 6 112.430 100.509 11 -5 6 -6 378.588 172.890 3 5 6 6 311.460 201.428 8 5 6 7 4616.45 475.538 11 -5 6 -7 5099.46 537.224 3 -5 6 -7 4728.21 470.110 4 5 6 7 4504.25 628.222 8 5 6 8 2813.72 513.796 8 -5 6 -8 3575.45 406.293 4 5 6 8 3740.45 430.909 11 -5 6 -8 3447.43 441.194 3 5 6 9 67.6807 145.266 8 -5 6 -9 43.6178 159.873 4 5 6 9 252.749 142.703 11 -5 6 -9 330.658 150.151 3 5 6 10 2619.04 496.373 8 5 6 10 3993.15 454.280 11 -5 6 -10 3849.27 477.043 3 5 6 11 4518.36 618.830 8 5 6 11 5257.47 522.821 11 -5 6 -11 5092.13 543.651 3 5 6 12 24437.1 1241.59 11 -5 6 -12 21914.2 1230.43 3 5 6 13 2880.36 391.444 11 -5 6 -13 2008.39 347.402 3 5 6 13 2097.77 393.737 8 5 6 14-90.5828 137.060 11 -5 6 -14 38.0874 188.587 3 5 6 14 191.759 139.223 8 5 6 15 30906.8 1443.62 11 -5 6 -15 31414.6 1481.94 3 -5 6 -16 10043.4 736.369 3 5 6 16 8446.36 667.400 8 5 6 17 6830.50 563.201 11 -5 6 -17 6834.12 580.528 3 -5 6 -18 754.148 210.101 3 5 6 18 413.556 149.645 11 5 6 19 9119.19 602.412 11 5 6 20 8100.98 529.238 11 5 6 21 2040.92 233.084 11 -5 7 22 6666.33 425.998 12 -5 7 21 2757.10 290.048 12 -5 7 20 17644.1 896.871 12 -5 7 19 9104.70 634.015 12 5 7 -19 9884.90 604.465 4 -5 7 18 1008.56 228.925 12 5 7 -18 1151.68 216.475 4 -5 7 17 914.322 235.860 12 5 7 -17 702.846 172.186 4 -5 7 16 8229.38 677.880 12 5 7 -16 7578.87 616.305 4 -5 7 15 2056.64 346.928 12 -5 7 14 108.931 139.114 12 -5 7 13 1197.90 274.413 12 5 7 -12 34023.7 1599.77 7 -5 7 12 34242.2 1728.76 12 5 7 -11 17142.0 1027.17 7 -5 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395.081 8 5 7 5 6723.46 566.559 11 -5 7 -5 6581.77 578.524 4 5 7 5 5511.76 680.100 8 5 7 6 29967.5 1386.14 11 -5 7 -6 27225.1 1358.19 4 5 7 6 25791.2 1639.56 8 -5 7 -7 4119.77 456.921 4 5 7 7 4157.73 450.379 11 5 7 7 3326.67 547.822 8 -5 7 -8 623.299 212.101 4 5 7 8 621.161 193.657 11 -5 7 -8 569.499 212.032 3 5 7 8 398.907 195.789 8 5 7 9 5951.03 546.902 11 -5 7 -9 6917.60 630.506 3 -5 7 -9 6918.30 585.963 4 5 7 9 5166.36 684.994 8 5 7 10 19971.5 1090.64 11 -5 7 -10 18973.4 1120.15 3 -5 7 -10 19761.3 1065.34 4 5 7 10 17149.9 1276.95 8 5 7 11 1689.62 286.494 11 -5 7 -11 1239.87 276.514 3 5 7 11 879.352 287.587 8 5 7 12 165.491 142.021 11 -5 7 -12 128.701 159.744 3 5 7 12-253.298 175.674 8 5 7 13 12122.3 786.338 11 -5 7 -13 11621.0 811.989 3 5 7 13 10649.8 847.285 8 5 7 14 32211.8 1420.14 11 -5 7 -14 31638.2 1461.81 3 5 7 14 27975.5 1443.00 8 5 7 15 3547.45 384.289 11 5 7 15 2776.26 339.116 8 5 7 16 209.619 128.547 11 5 7 17 784.831 179.173 11 5 7 18 11016.3 633.869 11 5 7 19 684.548 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29157.2 1336.24 11 -7 6 -3 24071.0 1386.50 4 7 6 3 27069.2 1474.56 8 -7 6 -4 32.5411 192.214 4 7 6 4 130.436 136.854 11 7 6 4 158.631 212.987 8 7 6 5 7093.01 588.254 11 -7 6 -5 6620.32 645.469 4 7 6 5 7032.33 699.485 8 7 6 6 40279.8 1713.41 6 7 6 6 41316.6 1760.67 11 -7 6 -6 37641.6 1823.16 4 7 6 6 42431.6 2013.69 8 7 6 7 46792.6 1869.46 6 7 6 7 45100.1 1898.48 11 -7 6 -7 41394.9 1960.75 4 7 6 7 49660.6 2213.08 8 7 6 8 893.272 206.855 6 7 6 8 1427.50 271.446 11 7 6 8 1729.10 364.591 8 7 6 9 16.5525 122.351 6 7 6 9 103.512 134.282 11 7 6 9 148.886 156.057 8 7 6 10 18820.6 989.974 6 7 6 10 19514.5 1062.13 11 7 6 10 20816.5 1246.64 8 7 6 11 24464.4 1183.98 6 7 6 11 26956.0 1282.40 11 7 6 11 28125.6 1457.90 8 7 6 12 1853.00 263.132 6 7 6 12 1760.79 297.997 11 7 6 12 2237.87 358.889 8 7 6 13-136.904 127.989 11 7 6 13-27.6352 108.922 8 7 6 14 1996.94 280.425 11 7 6 14 2150.30 306.165 8 7 6 15 4038.42 378.551 11 7 6 15 4114.93 393.154 8 7 6 16 162.159 89.5245 11 7 6 16 612.584 145.360 8 7 6 17 287.975 95.0129 11 7 6 17 210.821 85.0387 8 7 6 18 4848.05 341.422 11 -7 7 19 1110.21 179.054 12 -7 7 18 1932.77 255.248 12 7 7 -18 1808.92 226.037 4 -7 7 17 6298.22 506.871 12 7 7 -17 6127.39 473.302 4 -7 7 16 12522.8 797.065 12 -7 7 15 1929.84 311.816 12 -7 7 14 12649.8 871.733 12 -7 7 13 9284.93 764.348 12 7 7 -12 36059.4 1586.22 7 -7 7 12 34004.5 1729.87 12 7 7 -12 33565.2 1562.83 5 7 7 -11 14541.1 909.613 7 -7 7 11 13781.5 1031.43 12 7 7 -11 14683.2 919.651 5 7 7 -10 718.713 192.014 7 -7 7 10 419.603 182.449 12 7 7 -10 635.305 188.641 5 7 7 -9 177.847 121.488 7 -7 7 9 159.156 132.876 12 7 7 -9 64.7747 130.059 5 7 7 -8 14447.1 911.987 7 -7 7 8 11920.0 968.376 12 7 7 -8 12681.8 877.681 5 -7 7 7 5.06272 124.263 12 7 7 -7 175.270 152.050 5 -7 7 6 2934.53 432.386 4 7 7 -6 2707.65 388.288 7 7 7 -6 2124.61 332.345 5 -7 7 5 5792.62 599.842 4 7 7 -5 5245.29 545.152 7 7 7 -5 5332.63 547.514 5 7 7 -4 37741.2 1775.84 7 -7 7 4 40371.9 1868.31 4 7 7 -3 17112.3 1075.53 7 7 7 -3 18592.7 942.357 11 -7 7 3 17868.0 1143.15 4 -7 7 2 1541.50 344.873 4 7 7 -2 1641.72 318.288 7 7 7 -2 1792.93 268.340 11 -7 7 1 803.124 289.463 4 7 7 -1 1399.63 298.145 7 7 7 -1 1473.81 253.775 11 7 7 0 44506.7 2022.33 7 7 7 0 47339.3 1849.45 11 -7 7 0 43142.6 2029.67 4 7 7 1 21288.4 1260.77 7 7 7 1 23644.7 1131.26 11 -7 7 -1 21690.5 1284.39 4 7 7 1 22968.7 1286.54 8 -7 7 -2 2210.88 395.538 4 7 7 2 2864.25 420.429 7 7 7 2 2680.10 337.532 11 7 7 2 2511.76 394.411 8 -7 7 -3 1013.52 307.635 4 7 7 3 1363.83 298.215 7 7 7 3 2003.66 298.110 11 7 7 3 1885.18 357.700 8 7 7 4 43093.0 1992.74 7 7 7 4 46409.5 1831.73 11 -7 7 -4 41746.1 1969.78 4 7 7 4 47366.2 2098.28 8 -7 7 -5 3242.14 457.581 4 7 7 5 3689.71 396.890 11 7 7 5 4104.32 518.845 8 -7 7 -6 470.617 215.948 4 7 7 6 747.512 190.568 11 7 7 6 98.0015 154.610 8 -7 7 -7 634.768 235.360 4 7 7 7 163.379 130.491 11 7 7 7 238.678 190.542 8 7 7 8 43775.8 1781.25 11 -7 7 -8 42315.7 1870.84 4 7 7 8 46076.5 2053.37 8 7 7 9 31803.3 1398.32 11 7 7 9 31892.4 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8 -10 24353.6 1150.88 4 8 8 -9 4284.10 390.977 7 8 8 -9 3984.45 405.311 4 8 8 -8 1373.36 225.441 7 8 8 -8 1206.68 235.828 4 8 8 -7 2141.96 290.810 7 8 8 -7 1351.53 236.033 4 8 8 -6 18266.8 944.768 7 8 8 -6 16911.5 922.851 4 8 8 -5 8.71546 96.5418 7 8 8 -5 97.7599 113.515 4 8 8 -4-71.0111 123.286 7 8 8 -3 631.289 179.119 7 8 8 -2 15142.2 878.015 7 -8 8 2 16371.4 934.110 4 8 8 -1 1327.50 244.045 7 -8 8 1 1208.87 272.703 4 8 8 0 85.1576 104.832 7 -8 8 0 161.579 148.472 4 -8 8 -1 449.621 196.652 4 8 8 1 437.571 141.783 7 8 8 2 18952.1 868.547 11 -8 8 -2 20526.9 1053.45 4 -8 8 -3 99.3416 129.459 4 8 8 3 37.1162 64.3193 11 8 8 4 816.391 151.297 11 -8 8 -4 459.070 164.188 4 8 8 5 2380.73 248.044 11 -8 8 -5 2328.81 311.183 4 8 8 6 16318.0 757.923 11 8 8 7 3232.01 281.422 11 8 8 8 586.526 117.747 11 8 8 9 6107.95 377.357 11 -9 0 22 10362.4 594.355 9 -9 0 21 36.3128 87.3470 9 -9 0 20 20795.1 1024.94 9 -9 0 19 157.102 126.125 9 -9 0 18 5745.70 553.716 2 -9 0 17 48.8957 142.230 2 -9 0 16 21429.2 1235.86 2 -9 0 15 38.1390 212.405 2 -9 0 14 92625.0 3491.54 2 -9 0 13 1.44565 160.989 2 -9 0 12 17175.4 1107.55 2 -9 0 11 217.441 198.294 2 -9 0 10 53006.4 2310.33 2 -9 0 9-55.6700 180.345 2 -9 0 8 31002.7 1606.29 2 -9 0 7 101.928 195.505 2 -9 0 6 96285.9 3610.74 2 -9 0 5-133.712 202.156 2 -9 0 4 226.554 152.199 2 -9 0 3 90.7940 137.951 2 -9 0 2 22508.9 1286.02 2 -9 0 1-82.8447 143.293 2 -9 0 0 33.7141 154.530 2 -9 0 -1-129.766 199.311 2 9 0 2 14387.9 860.799 6 -9 0 -2 14914.0 988.602 2 -9 0 -3-61.6186 125.524 2 9 0 3 117.069 111.420 6 9 0 4 6666.82 555.080 6 -9 0 -4 6422.61 627.447 2 9 0 5 3.10445 109.953 6 9 0 6 72756.5 2700.92 6 9 0 7-24.7450 113.825 6 9 0 8 6928.09 572.293 6 9 0 9 122.306 83.2774 6 9 0 10 1744.27 273.546 6 9 0 11 138.441 123.129 6 9 0 12-30.4773 97.4314 6 9 0 13 92.4716 90.7723 6 9 0 14 5899.44 491.767 6 9 0 15 185.038 99.3710 6 9 0 16 658.060 149.723 6 9 0 17-378.975 115.136 6 9 0 18 1855.44 218.848 6 -9 1 23 25.1581 82.9196 9 -9 1 22 15565.8 792.283 9 -9 1 21 2330.13 291.956 9 -9 1 20 10511.7 684.000 9 -9 -1 19 426.809 131.234 9 -9 1 19 527.541 174.819 9 -9 1 18 32241.1 1519.62 2 -9 -1 18 32244.1 1514.04 2 -9 -1 18 30320.4 1380.08 9 -9 1 17 6274.19 601.534 2 -9 -1 17 5763.14 568.112 2 -9 1 16 66599.4 2653.62 2 -9 -1 16 66110.7 2645.86 2 -9 1 15 3389.61 464.136 2 -9 -1 15 3254.16 445.689 2 9 1 -14 6624.72 573.248 5 -9 1 14 6911.14 666.219 2 -9 -1 14 6173.77 625.966 2 9 1 -13 16387.8 957.344 5 -9 1 13 15085.5 1030.12 2 -9 -1 13 14101.7 992.710 2 -9 1 12 56359.3 2432.16 2 -9 -1 12 58628.0 2454.68 2 9 1 -12 57706.9 2314.13 5 -9 1 11 583.732 242.933 2 -9 -1 11 953.970 263.898 2 -9 1 10 32236.9 1627.48 2 -9 -1 10 31721.1 1620.25 2 -9 1 9 20096.8 1234.53 2 -9 -1 9 20853.5 1249.77 2 -9 -1 8 80835.6 3153.29 2 -9 1 8 81486.9 3161.06 2 -9 -1 7 269.108 157.444 2 -9 1 7 246.089 179.707 2 -9 1 6 5972.61 613.783 2 -9 -1 6 4830.77 554.435 2 -9 -1 5 8577.59 737.935 2 -9 1 5 8456.51 741.471 2 -9 -1 4 87888.3 3300.93 2 -9 1 4 84207.8 3276.00 2 -9 -1 3 1187.83 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1 13 1362.62 243.179 6 9 -1 14 328.394 112.178 6 9 1 14 121.155 118.659 6 9 -1 15 457.323 135.288 6 9 1 15 382.578 145.525 6 9 1 16 10560.0 649.899 6 9 1 17-21.8616 90.2710 6 9 1 18 4108.62 337.143 6 -9 2 23 14147.4 687.606 9 -9 2 22 4157.60 359.222 9 -9 2 21 866.383 184.997 9 -9 2 20 5063.96 455.184 9 -9 2 19 8595.68 630.703 9 9 2 -18 8008.15 585.697 5 9 2 -17 11099.1 726.697 5 -9 2 17 10205.8 751.114 2 -9 -2 17 10976.1 774.506 2 9 2 -16 840.700 216.079 5 -9 2 16 516.112 191.521 2 -9 -2 16 919.346 261.296 2 9 2 -15 41979.6 1791.47 5 -9 2 15 40239.6 1848.15 2 -9 -2 15 41218.0 1855.04 2 9 2 -14 31606.1 1476.32 5 -9 2 14 28506.8 1493.00 2 -9 -2 14 29373.8 1507.24 2 -9 2 13 4613.20 524.335 2 -9 -2 13 4867.94 543.364 2 9 2 -13 4687.53 491.149 5 -9 2 12 2263.74 382.904 2 -9 -2 12 2491.96 402.154 2 9 2 -12 2211.83 339.275 5 -9 2 11 55915.3 2372.82 2 -9 -2 11 56882.0 2380.95 2 -9 2 10 19914.8 1189.10 2 -9 -2 10 19337.2 1175.29 2 9 2 -9 5762.69 521.372 7 -9 -2 9 5587.07 587.780 2 -9 2 9 5304.03 573.552 2 9 2 -8 11592.1 770.244 7 -9 2 8 11353.4 861.371 2 -9 -2 8 10546.6 833.707 2 9 2 -7 8407.05 662.330 7 -9 -2 7 9505.90 769.235 2 -9 2 7 9370.21 763.419 2 9 2 -6 52147.6 2107.11 7 -9 -2 6 51411.1 2229.55 2 -9 2 6 50791.1 2222.76 2 -9 -2 5 6167.40 617.610 2 -9 2 5 6120.09 612.630 2 -9 -2 4 3653.05 477.291 2 -9 2 4 4147.85 507.288 2 -9 -2 3 77292.6 2979.00 2 -9 2 3 74243.8 2947.87 2 9 2 -2 13989.5 844.554 11 -9 -2 2 16322.8 1035.02 2 -9 2 2 15357.5 1007.21 2 9 2 -1 456.045 153.283 11 -9 -2 1 1191.63 304.596 2 -9 2 1 872.183 254.762 2 9 2 0 3028.10 351.052 11 -9 -2 0 3448.66 452.245 2 -9 2 0 2686.74 401.880 2 9 2 1 24744.0 1186.94 11 -9 -2 -1 25493.0 1372.82 2 -9 2 -1 24153.3 1343.47 2 9 2 2 21288.8 1136.41 6 9 2 2 20627.1 1063.75 11 -9 -2 -2 22643.0 1252.55 2 -9 2 -2 21300.9 1220.17 2 -9 -2 -3 1353.62 284.292 2 -9 2 -3 1750.48 331.606 2 9 2 3 1836.77 309.365 6 9 2 3 1507.41 245.421 11 9 2 4 21199.5 1130.28 6 9 2 4 21011.8 1052.98 11 -9 -2 -4 20781.6 1192.76 2 -9 2 -4 19421.5 1166.96 2 9 2 5 46446.8 1862.76 11 9 2 5 48524.9 1974.40 6 -9 -2 -5 46660.5 2048.89 2 -9 2 -5 44220.0 2011.35 2 9 2 6 12495.7 776.715 11 9 2 6 13668.5 864.062 6 -9 -2 -6 13507.4 923.541 2 -9 2 -6 14267.3 940.984 2 9 2 7 4140.74 403.762 11 9 2 7 4344.15 460.475 6 9 2 8 3877.77 390.315 11 9 2 8 4056.46 445.845 6 9 2 9 27699.3 1258.69 11 9 2 9 29439.9 1395.09 6 9 2 10 9044.43 680.245 6 9 2 11 23131.3 1185.10 6 9 2 12 1214.74 241.413 6 9 2 13 2091.59 315.566 6 9 2 14 11684.2 731.323 6 9 2 15 3308.39 356.881 6 9 2 16 1198.19 197.657 6 9 2 17 354.377 127.041 6 9 2 18 4462.71 342.120 6 -9 3 22 590.919 135.678 9 -9 3 21 9497.00 566.344 12 -9 3 21 10897.3 618.261 9 -9 3 20 1656.95 246.758 9 -9 3 19 57.2165 113.277 9 -9 3 18 167.407 137.022 9 9 3 -17 20444.3 1065.99 5 9 3 -16 7746.61 614.798 5 -9 3 16 7784.09 613.554 2 -9 -3 16 7684.53 612.305 2 9 3 -15 165.390 117.250 5 -9 3 15 560.416 191.528 2 -9 -3 15 650.010 201.099 2 9 3 -14 1456.03 280.546 5 -9 3 14 1353.33 278.267 2 -9 -3 14 1343.86 279.149 2 9 3 -13 31459.1 1400.40 7 9 3 -13 30308.9 1477.97 5 -9 3 13 29405.4 1462.98 2 -9 -3 13 29673.1 1469.09 2 9 3 -12 28928.7 1345.07 7 9 3 -12 28012.6 1419.54 5 -9 3 12 27741.4 1416.92 2 -9 -3 12 27440.3 1415.76 2 -9 3 11 1776.29 326.175 2 -9 -3 11 1574.25 297.035 2 9 3 -11 1728.32 288.216 7 9 3 -11 1615.04 305.271 5 -9 3 10 583.591 219.247 2 -9 -3 10 591.883 199.258 2 9 3 -10 346.864 157.959 7 -9 3 9 58612.8 2458.85 2 -9 -3 9 60642.9 2480.36 2 9 3 -9 63842.3 2433.02 7 9 3 -8 19715.1 1098.72 7 -9 3 8 18853.8 1125.43 2 -9 -3 8 19004.3 1132.64 2 9 3 -7 1019.70 234.597 7 -9 3 7 994.927 256.102 2 -9 -3 7 853.302 226.192 2 9 3 -6 3273.72 410.064 7 -9 3 6 3461.17 437.897 2 -9 -3 6 3713.22 472.148 2 9 3 -5 27097.8 1357.95 7 -9 -3 5 27439.4 1417.11 2 -9 3 5 26338.5 1389.57 2 9 3 -4 20117.6 1129.14 7 -9 -3 4 20279.3 1174.77 2 -9 3 4 20103.8 1164.03 2 -9 -3 3 702.383 187.671 2 -9 3 3 741.735 247.849 2 9 3 -2 4298.22 439.824 11 -9 -3 2 4617.01 515.418 2 -9 3 2 4675.58 521.762 2 9 3 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11047.7 779.664 2 9 3 10 2031.17 314.500 6 -9 -3 -10 1947.35 317.384 2 -9 3 -10 1990.71 324.484 2 9 3 10 2133.25 285.271 11 9 3 11 20289.1 1002.86 11 9 3 11 21232.4 1093.06 6 9 3 12 9216.76 597.105 11 9 3 12 9925.71 676.831 6 9 3 13 31283.9 1279.31 11 9 3 13 30857.8 1371.96 6 9 3 14 9782.41 622.542 6 -9 -3 -14 8023.25 582.695 2 -9 3 -14 7895.80 568.839 2 -9 -3 -15 168.527 96.5478 2 -9 3 -15 70.4474 113.453 2 9 3 15 106.576 80.7180 6 9 3 16 4236.89 357.724 6 -9 3 -16 3138.53 314.254 2 -9 -3 -16 3535.16 330.411 2 9 3 17 13017.3 650.734 6 9 3 17 11717.2 621.694 8 9 3 18 2566.48 237.743 6 -9 4 21 789.756 143.076 9 -9 4 20 2610.77 275.789 12 -9 4 20 2839.93 286.660 9 -9 4 19 7890.30 531.067 9 -9 4 18 135.603 111.744 9 9 4 -17 666.130 168.733 5 -9 4 17 416.549 160.667 9 9 4 -16 1541.07 257.884 5 9 4 -15 12315.7 740.928 7 9 4 -15 12097.7 794.518 5 9 4 -14-9.45371 99.7859 7 9 4 -14 178.296 127.842 5 9 4 -13 20.0465 89.2647 7 9 4 -13 32.5475 118.595 5 9 4 -12 1597.62 268.694 7 9 4 -12 1681.54 310.284 5 9 4 -11 42340.2 1802.05 7 9 4 -11 40942.6 1849.77 5 9 4 -10 5819.45 536.923 7 9 4 -10 5363.35 551.352 5 9 4 -9 11075.0 784.776 7 9 4 -8 10212.2 766.585 7 9 4 -7 26390.6 1345.54 7 9 4 -6 2046.28 331.406 7 9 4 -5 573.778 195.506 7 9 4 -4 2314.82 355.936 7 9 4 -3 78034.8 2945.65 7 9 4 -3 77952.0 2833.85 11 9 4 -2 2894.83 356.976 11 9 4 -1 17138.0 955.567 11 9 4 0 14020.1 845.048 11 9 4 1 40660.6 1734.40 11 9 4 1 43188.6 1801.31 8 9 4 2 1293.30 246.667 8 9 4 2 1044.76 225.996 11 9 4 3 30217.1 1385.93 11 9 4 3 29855.4 1427.43 8 9 4 4 11651.4 757.303 11 9 4 4 12411.1 822.605 8 9 4 5 38007.8 1665.24 6 9 4 5 37722.7 1626.22 11 9 4 5 37992.0 1694.74 8 9 4 6 2197.47 324.229 6 9 4 6 2158.62 316.397 11 9 4 7 21205.7 1108.55 6 9 4 7 20478.8 1052.25 11 9 4 8 2.02594 128.485 6 9 4 8 105.182 117.652 11 9 4 9 20483.5 1075.79 6 9 4 9 21098.9 1045.43 11 9 4 10 5947.53 506.933 6 9 4 10 5799.20 478.164 11 9 4 11 40417.0 1691.75 6 9 4 11 43351.9 1672.10 11 9 4 12 925.243 198.097 8 9 4 12 791.506 184.975 6 9 4 12 1040.52 191.728 11 9 4 13 3052.86 331.982 8 9 4 13 3067.96 302.398 11 9 4 13 2915.00 315.346 6 9 4 14 508.767 147.494 8 9 4 14 530.462 153.897 6 9 4 14 692.347 148.627 11 9 4 15 28549.9 1169.49 6 9 4 15 28778.3 1115.22 11 9 4 15 29152.8 1190.44 8 9 4 16 553.391 124.371 8 9 4 16 537.354 126.008 6 -9 5 19 79.7568 75.0065 12 -9 5 18 3964.62 352.638 12 -9 5 18 3330.97 305.719 9 -9 5 17 4105.34 381.628 12 -9 5 17 4057.24 354.742 9 9 5 -16 3664.83 378.831 5 -9 5 16 3496.55 345.514 9 9 5 -15 506.332 166.772 5 -9 5 15 296.300 92.5390 9 9 5 -14 264.798 134.822 7 9 5 -14 93.2973 113.012 5 9 5 -13 5190.98 467.948 7 9 5 -13 5073.05 494.816 5 9 5 -12 466.325 157.844 7 9 5 -12 767.851 195.274 5 9 5 -11 217.925 128.610 7 9 5 -11 157.212 148.875 5 9 5 -10 8505.81 650.374 7 9 5 -10 8340.26 669.901 5 9 5 -9 27968.8 1364.87 7 9 5 -9 28039.1 1393.26 5 9 5 -8 5138.69 504.391 7 9 5 -8 4229.55 475.374 5 9 5 -7 12802.8 854.327 7 9 5 -6 7420.32 644.443 7 9 5 -5 29378.9 1447.80 7 9 5 -4 6878.33 607.816 7 9 5 -3 24534.2 1286.40 7 9 5 -2 256.128 157.146 7 9 5 -2 58.9468 97.1583 11 9 5 -1 13621.8 892.652 7 9 5 -1 13602.3 813.263 11 9 5 0 2665.30 372.684 7 9 5 0 3095.58 368.077 11 9 5 0 3427.11 390.508 8 9 5 1 23044.5 1230.20 7 9 5 1 23007.5 1147.96 11 9 5 1 23789.2 1200.11 8 9 5 2 9743.19 669.308 11 9 5 2 9781.42 705.720 8 9 5 3 29292.2 1348.09 11 9 5 3 30255.7 1425.33 8 9 5 4 4374.38 446.165 11 9 5 4 4855.94 488.114 8 9 5 5 47736.0 1891.79 11 9 5 5 47444.8 1972.67 8 9 5 6 684.238 195.095 11 9 5 6 582.876 187.406 8 9 5 7 23030.5 1114.90 11 9 5 7 23166.9 1183.76 8 9 5 8 83.5058 128.161 8 9 5 8 10.1752 119.036 11 9 5 9 35541.1 1461.95 11 9 5 9 34447.9 1524.04 8 9 5 10 138.667 107.397 11 9 5 10-80.3377 124.769 8 9 5 11 15436.0 789.684 11 9 5 11 14780.9 825.564 8 9 5 12 245.566 123.509 11 9 5 12 10.4114 98.7790 8 9 5 13 31913.6 1260.33 11 9 5 13 32839.4 1316.65 8 9 5 14 176.043 83.2152 11 9 5 14 316.494 102.543 8 9 5 15 2425.13 233.741 8 -9 6 17 431.485 120.301 12 -9 6 16 583.813 144.162 12 -9 6 15 1416.19 224.046 12 -9 6 14 4395.29 416.515 12 9 6 -14 4957.38 427.349 5 9 6 -13 732.523 175.661 7 -9 6 13 393.609 148.127 12 9 6 -13 530.522 164.679 5 9 6 -12 10.8003 93.0403 7 -9 6 12-14.1126 97.9602 12 9 6 -12 159.144 86.0858 5 9 6 -11 4429.02 427.266 7 9 6 -11 4458.87 437.038 5 9 6 -10 213.976 107.775 7 9 6 -10 262.348 132.043 5 9 6 -9 119.343 135.266 7 9 6 -9 166.347 120.322 5 9 6 -8 560.382 182.621 7 9 6 -8 630.163 180.989 5 9 6 -7 22052.6 1146.88 7 9 6 -7 22217.8 1156.15 5 9 6 -6 15569.4 928.814 7 9 6 -6 15577.4 930.464 5 9 6 -5 8690.52 671.814 7 9 6 -5 9003.26 674.678 5 9 6 -4 3263.04 400.176 7 9 6 -3 6662.02 582.240 7 9 6 -2 7127.29 599.585 7 9 6 -1 13725.5 859.797 7 9 6 -1 13032.6 764.814 11 9 6 0 453.817 169.193 7 9 6 0 236.793 119.845 11 9 6 0 177.640 110.784 8 9 6 1 17757.3 1001.70 7 9 6 1 18170.3 936.317 11 9 6 1 17563.7 960.704 8 9 6 2 6054.58 541.502 7 9 6 2 6491.47 509.131 11 9 6 2 6630.45 544.465 8 9 6 3 22537.4 1171.31 7 9 6 3 24310.5 1124.83 11 9 6 3 23868.1 1174.05 8 9 6 4 265.138 151.405 7 9 6 4 388.746 151.453 11 9 6 4 458.087 161.020 8 9 6 5 18923.2 1006.46 7 9 6 5 19878.9 976.561 11 9 6 5 19403.0 1027.02 8 9 6 6 14042.7 813.989 7 9 6 6 13508.0 766.700 11 9 6 6 14887.6 851.848 8 9 6 7 40360.8 1634.14 7 9 6 7 40932.1 1605.13 11 9 6 7 41092.6 1682.84 8 9 6 8 6016.87 467.502 7 9 6 8 6854.51 484.630 11 9 6 8 6677.43 517.904 8 9 6 9 906.593 168.431 7 9 6 9 760.616 165.116 11 9 6 9 760.747 174.438 8 9 6 10 5081.62 382.406 11 9 6 10 4705.16 394.612 8 9 6 11 5417.95 393.154 11 9 6 11 6104.22 436.495 8 9 6 12 110.339 76.2141 11 9 6 12 100.161 87.5015 8 9 6 13 4698.79 321.894 11 9 6 13 4995.27 341.939 8 -9 7 13 278.404 94.1212 12 -9 7 12 15089.4 770.804 12 9 7 -11 1862.20 247.300 7 -9 7 11 1600.63 225.058 12 9 7 -11 2016.47 256.672 5 9 7 -10 397.127 136.161 7 -9 7 10 129.637 88.8563 12 9 7 -10 301.752 127.606 5 9 7 -9 12891.0 740.854 7 9 7 -9 12974.5 737.299 5 9 7 -8 9069.04 612.332 7 9 7 -8 9373.20 615.489 5 9 7 -7 497.536 153.133 7 9 7 -7 504.939 148.831 5 9 7 -6 181.979 136.383 7 9 7 -6 142.970 106.586 5 9 7 -5 18371.6 972.415 7 9 7 -5 19327.2 973.890 5 9 7 -4 19375.1 1019.60 7 9 7 -4 21349.8 1029.29 5 9 7 -3 3519.33 382.197 7 9 7 -2 8836.80 621.481 7 9 7 -1 2202.17 301.449 7 9 7 0 18497.7 967.356 7 9 7 1 381.427 148.147 7 9 7 1 834.896 165.723 11 9 7 2 227.988 138.556 7 9 7 2 268.612 110.644 11 9 7 3 13315.3 759.276 7 9 7 3 13829.1 718.158 11 9 7 4 18462.7 922.811 7 9 7 4 19456.2 888.944 11 9 7 5 6755.72 479.692 7 9 7 5 7085.39 465.646 11 9 7 6 684.854 140.606 7 9 7 6 795.022 157.501 11 9 7 7 1436.42 196.977 11 9 7 8 19290.0 844.230 11 9 7 9 1609.26 193.055 11 9 7 10 5387.45 345.952 11 9 8 -8 88.6864 74.4215 7 9 8 -7 3175.32 293.076 7 9 8 -6 14659.4 737.150 7 9 8 -5-42.1312 98.1147 7 9 8 -4 271.366 97.5398 7 9 8 -3 138.717 69.7651 7 9 8 -2 15075.2 753.722 7 9 8 -1 761.496 140.857 7 9 8 0 533.473 128.749 7 9 8 1 411.221 113.455 7 -10 0 20 49121.9 1764.53 9 -10 0 19-66.0111 116.389 9 -10 0 18 40522.9 1606.98 9 -10 0 17 32.3720 128.016 2 -10 0 16 9738.41 717.754 2 -10 0 15 10.6235 129.931 2 -10 0 14 12223.0 859.576 2 -10 0 13-17.4105 179.281 2 -10 0 12 17195.7 1076.69 2 -10 0 11 0.67929 169.440 2 -10 0 10 63422.3 2596.81 2 -10 0 9 108.158 232.285 2 -10 0 8 38139.7 1820.30 2 -10 0 7-4.97584 221.410 2 -10 0 6 183100. 6145.11 2 -10 0 5-55.0513 229.472 2 -10 0 4 5322.80 583.883 2 -10 0 3 2.86141 201.998 2 -10 0 2 75502.8 2976.39 2 -10 0 1 73.9337 170.318 2 -10 0 0 31889.3 1610.71 2 -10 0 -1-278.288 266.648 2 -10 0 -2 246360. 7958.31 2 -10 0 -3-33.8234 208.692 2 -10 0 -4 7044.93 662.914 2 -10 0 -5 334.134 210.287 2 10 0 5 16.5783 99.0420 6 10 0 6 37571.9 1570.99 6 -10 0 -6 35631.6 1711.72 2 -10 0 -7 91.7701 151.979 2 10 0 7 112.008 109.432 6 -10 0 -8-36.7721 179.668 2 10 0 8 80.7199 84.8760 6 -10 0 -9 90.1875 148.818 2 10 0 9 60.7563 79.0219 6 10 0 10 14863.0 815.822 6 -10 0 -10 14273.5 915.014 2 -10 0 -11 261.442 173.111 2 10 0 11 72.5481 79.1493 6 -10 0 -12 2242.81 322.086 2 10 0 12 2364.45 277.357 6 -10 0 -13-67.7943 116.208 2 10 0 13 2.39658 95.3903 6 10 0 14 27575.8 1128.24 6 -10 0 -14 26930.3 1243.37 2 -10 0 -15 123.792 110.033 2 10 0 15 69.3386 52.3835 6 -10 0 -16 983.412 178.291 2 -10 1 21 2422.56 244.804 9 -10 1 20 8689.05 532.283 9 -10 1 19 116.009 97.7928 9 -10 1 18 27983.8 1246.75 9 -10 1 17 4239.10 442.513 2 -10 -1 17 4099.92 373.397 9 -10 -1 17 4799.05 464.602 2 -10 1 16 11790.4 792.003 2 -10 -1 16 11823.6 786.448 2 -10 1 15 1127.09 256.839 2 -10 -1 15 981.273 253.332 2 -10 1 14 20497.7 1145.97 2 -10 -1 14 19877.9 1131.29 2 -10 1 13 4801.03 530.601 2 -10 -1 13 4553.10 517.909 2 10 1 -13 5417.89 479.325 5 -10 1 12 33044.8 1614.02 2 -10 -1 12 32696.1 1610.65 2 10 1 -12 34721.0 1519.47 5 -10 1 11 3921.83 495.011 2 -10 -1 11 3505.75 467.308 2 -10 1 10 51647.6 2228.33 2 -10 -1 10 52516.6 2234.97 2 -10 1 9 3067.55 458.249 2 -10 -1 9 2595.43 418.718 2 -10 1 8 91700.5 3436.51 2 -10 -1 8 90518.6 3428.13 2 -10 -1 7 526.530 239.977 2 -10 1 7 33.6514 184.572 2 -10 -1 6 11653.2 880.948 2 -10 1 6 12595.0 912.985 2 -10 -1 5 17037.2 1085.28 2 -10 1 5 16191.6 1069.55 2 -10 -1 4 107405. 3908.85 2 -10 1 4 106748. 3907.52 2 -10 -1 3 234.706 185.784 2 -10 1 3 443.357 219.792 2 -10 -1 2 9508.48 777.360 2 -10 1 2 8416.68 747.493 2 -10 -1 1 33768.1 1682.06 2 -10 1 1 35377.8 1711.85 2 -10 -1 0 75055.1 2940.89 2 -10 1 0 73915.4 2934.11 2 -10 -1 -1 3147.70 447.806 2 -10 1 -1 2920.01 435.159 2 -10 -1 -2 7664.92 692.805 2 -10 1 -2 7929.17 701.318 2 -10 -1 -3 8366.41 720.001 2 -10 1 -3 7330.62 687.782 2 -10 -1 -4 85352.5 3191.65 2 -10 1 -4 81815.6 3166.49 2 -10 -1 -5 290.093 207.546 2 -10 1 -5 50.6158 151.758 2 10 1 5 97.3679 120.599 6 -10 -1 -6 3295.89 437.863 2 -10 1 -6 3891.79 479.750 2 10 1 6 3536.17 391.054 6 10 1 7 28410.0 1313.51 6 -10 -1 -7 28798.7 1434.34 2 -10 1 -7 27219.7 1409.01 2 10 1 8 42939.7 1772.11 6 -10 -1 -8 44095.5 1913.59 2 -10 1 -8 43472.2 1906.65 2 -10 -1 -9 290.996 185.423 2 -10 1 -9 618.924 218.183 2 10 1 9 783.858 196.056 6 -10 -1 -10 401.631 170.409 2 -10 1 -10 219.649 180.436 2 10 1 10 242.547 129.009 6 10 1 11 8085.82 574.880 6 -10 -1 -11 8233.09 643.172 2 -10 1 -11 8881.88 669.460 2 10 1 12 28315.1 1234.86 6 -10 -1 -12 28686.1 1339.35 2 -10 1 -12 27487.8 1323.04 2 -10 -1 -13 144.527 141.689 2 -10 1 -13-103.341 106.773 2 10 1 13 173.071 108.452 6 -10 -1 -14 92.5831 109.004 2 -10 1 -14 167.670 118.458 2 10 1 14 53.2152 63.3584 6 -10 -1 -15 2897.52 313.450 2 -10 1 -15 2694.40 308.349 2 10 1 15 2936.71 274.785 6 10 1 16 15601.9 712.724 6 -10 -1 -16 16074.1 787.041 2 -10 1 -16 16490.9 790.357 2 -10 2 20 12687.4 666.270 9 -10 2 19 12440.6 693.913 9 -10 2 18 6737.01 509.605 9 10 2 -17 1952.01 251.993 5 10 2 -16 7363.77 531.498 5 -10 2 16 7602.44 586.093 2 -10 -2 16 6515.56 550.646 2 10 2 -15 22603.5 1087.86 5 -10 2 15 21760.0 1137.43 2 -10 -2 15 21042.0 1125.81 2 10 2 -14 2504.46 331.210 5 -10 2 14 2268.97 347.526 2 -10 -2 14 2563.69 360.763 2 10 2 -13 131.229 101.979 5 -10 2 13 455.420 187.696 2 -10 -2 13 280.340 157.487 2 10 2 -12 13608.4 843.507 5 -10 2 12 12483.8 867.105 2 -10 -2 12 12791.3 874.363 2 -10 2 11 20429.1 1162.16 2 -10 -2 11 19270.2 1140.21 2 10 2 -11 21744.4 1133.41 5 -10 2 10 19792.7 1154.07 2 -10 -2 10 20346.0 1158.56 2 -10 2 9 1460.72 295.314 2 -10 -2 9 1689.11 317.158 2 -10 2 8 14173.0 946.314 2 -10 -2 8 13686.5 936.345 2 10 2 -7 13473.4 822.543 7 -10 2 7 12696.7 903.423 2 -10 -2 7 12386.0 898.058 2 10 2 -6 49819.2 2020.31 7 -10 -2 6 52334.1 2187.23 2 -10 2 6 48305.4 2139.75 2 10 2 -5 3479.71 399.383 7 -10 -2 5 2956.63 425.681 2 -10 2 5 3095.94 439.239 2 10 2 -4 1086.13 238.919 7 -10 -2 4 1022.70 282.832 2 -10 2 4 757.957 255.578 2 -10 -2 3 69431.8 2779.05 2 -10 2 3 71603.2 2794.17 2 -10 -2 2 20371.1 1192.70 2 -10 2 2 20427.5 1192.38 2 -10 -2 1 2105.44 365.816 2 -10 2 1 2220.81 360.370 2 -10 -2 0 3099.79 437.460 2 -10 2 0 3455.61 453.008 2 -10 -2 -1 42549.3 1916.47 2 -10 2 -1 41436.3 1897.51 2 10 2 2 40116.9 1700.49 11 -10 -2 -2 46372.6 1972.98 2 -10 2 -2 43279.5 1930.41 2 10 2 3 840.681 198.169 11 -10 -2 -3 813.832 233.491 2 -10 2 -3 1057.84 277.878 2 10 2 4 5711.41 467.267 11 -10 -2 -4 5560.00 563.786 2 -10 2 -4 5888.91 574.478 2 10 2 5 15014.1 901.479 6 10 2 5 15892.0 847.713 11 -10 -2 -5 16538.2 1016.77 2 -10 2 -5 15404.7 986.312 2 10 2 6 17263.5 948.211 6 10 2 6 15317.5 834.302 11 -10 -2 -6 16630.7 1011.66 2 -10 2 -6 17185.1 1025.14 2 -10 -2 -7 1188.47 278.705 2 -10 2 -7 1134.42 265.142 2 10 2 7 1316.78 247.420 6 10 2 7 1404.42 224.219 11 -10 -2 -8 4256.01 466.647 2 10 2 8 4603.39 444.081 6 -10 2 -8 4765.04 496.451 2 10 2 9 27082.8 1243.57 6 -10 -2 -9 25667.9 1291.81 2 -10 2 -9 25450.8 1285.71 2 10 2 10 16046.7 875.291 6 -10 -2 -10 15708.9 924.818 2 -10 2 -10 15869.4 930.191 2 10 2 11 11349.5 687.346 6 -10 -2 -11 10475.5 714.487 2 -10 2 -11 10996.7 726.934 2 10 2 12 7582.80 531.922 6 -10 -2 -12 7794.57 572.064 2 -10 2 -12 7352.34 560.286 2 10 2 13 6977.66 486.693 6 -10 -2 -13 6883.68 514.213 2 -10 2 -13 6805.89 513.959 2 10 2 14 11513.0 624.577 6 -10 -2 -14 10208.7 633.951 2 -10 2 -14 10986.9 648.517 2 -10 -2 -15 1247.36 196.044 2 -10 2 -15 1364.42 196.713 2 10 2 15 1324.63 188.891 6 -10 3 20-44.0485 85.1523 9 -10 3 19 212.245 107.861 9 -10 3 18 1431.32 223.250 9 10 3 -17 8544.87 553.288 5 -10 3 17 8569.91 577.980 9 10 3 -16 1081.57 202.183 5 10 3 -15 19.4037 92.9890 5 -10 3 15-55.6271 102.788 2 -10 -3 15-82.0068 141.385 2 10 3 -14 2317.39 321.356 5 -10 3 14 1987.01 296.522 2 -10 -3 14 2050.13 294.534 2 10 3 -13 34633.9 1513.66 5 -10 3 13 32647.4 1477.75 2 -10 -3 13 33449.6 1494.93 2 10 3 -12 1208.95 247.587 5 -10 3 12 1540.09 274.913 2 -10 -3 12 1272.53 239.780 2 10 3 -11 7567.23 557.749 7 10 3 -11 8165.47 635.842 5 -10 3 11 7438.82 606.881 2 -10 -3 11 6565.23 576.627 2 -10 3 10 622.954 179.511 2 -10 -3 10 566.861 187.732 2 10 3 -10 484.655 154.581 7 -10 3 9 7681.93 636.074 2 -10 -3 9 7971.60 653.225 2 10 3 -9 8509.34 627.006 7 -10 3 8 4977.23 501.437 2 -10 -3 8 5107.05 520.052 2 10 3 -8 5210.48 489.442 7 10 3 -7 3877.95 424.189 7 -10 3 7 3256.77 403.819 2 -10 -3 7 3109.90 397.545 2 10 3 -6 344.616 160.695 7 -10 3 6 113.541 151.252 2 -10 -3 6 375.504 153.315 2 10 3 -5 44822.9 1864.65 7 -10 3 5 43506.9 1899.92 2 -10 -3 5 42997.4 1903.42 2 10 3 -4 10555.0 744.238 7 -10 -3 4 10628.1 785.066 2 -10 3 4 10782.6 778.849 2 10 3 -3 584.529 182.240 7 -10 -3 3 485.460 165.200 2 -10 3 3 413.966 176.421 2 -10 -3 2 5.54670 123.385 2 -10 3 2 158.846 129.106 2 -10 -3 1 26839.2 1366.16 2 -10 3 1 26234.7 1338.69 2 -10 -3 0 6610.81 602.851 2 -10 3 0 6377.97 590.606 2 10 3 1 330.482 135.986 11 -10 -3 -1 685.783 209.907 2 -10 3 -1 246.499 154.006 2 10 3 2 111.518 109.149 11 -10 3 -2 138.569 135.847 2 10 3 3 10364.7 676.951 11 -10 -3 -3 10933.9 785.358 2 -10 3 -3 10375.2 756.407 2 10 3 3 11260.0 718.995 8 10 3 4 4826.44 434.033 11 -10 -3 -4 5802.57 547.209 2 -10 3 -4 4894.73 497.759 2 10 3 5 344.634 121.345 11 -10 -3 -5 385.843 164.975 2 -10 3 -5 564.528 191.019 2 10 3 6 1978.04 270.880 11 -10 -3 -6 2673.83 378.339 2 -10 3 -6 1921.57 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7389.55 554.739 2 11 2 -12 16562.7 855.807 5 -11 2 12 15972.2 895.074 2 -11 -2 12 15427.8 887.442 2 11 2 -11 6641.57 510.963 5 -11 2 11 5863.85 520.788 2 -11 -2 11 6210.34 531.873 2 -11 2 10 1692.89 285.112 2 -11 -2 10 1385.19 262.998 2 11 2 -10 1751.02 269.718 5 -11 2 9 851.388 221.783 2 -11 -2 9 627.067 183.906 2 -11 2 8 18942.5 1055.12 2 -11 -2 8 19280.1 1067.67 2 -11 2 7 16887.0 994.698 2 -11 -2 7 18347.5 1027.47 2 11 2 -6 3707.84 370.972 7 -11 2 6 3378.09 416.438 2 -11 -2 6 3710.67 428.705 2 11 2 -5 1797.90 263.312 7 -11 2 5 1666.61 310.122 2 -11 -2 5 1730.37 305.882 2 11 2 -4 17630.1 928.897 7 -11 -2 4 17767.6 1020.75 2 -11 2 4 15892.1 984.086 2 11 2 -3 23406.5 1130.10 7 -11 -2 3 23071.7 1227.17 2 -11 2 3 23401.3 1226.89 2 11 2 -2 9183.22 629.592 7 -11 -2 2 8497.64 675.167 2 -11 2 2 8057.60 661.640 2 -11 -2 1 23575.9 1231.29 2 -11 2 1 23302.5 1226.33 2 -11 -2 0 26958.2 1343.74 2 -11 2 0 26729.4 1338.59 2 -11 -2 -1 2834.38 385.423 2 -11 2 -1 2696.02 377.709 2 -11 -2 -2 25735.1 1279.44 2 -11 2 -2 24104.6 1249.15 2 -11 -2 -3 1284.11 255.650 2 -11 2 -3 1516.01 283.794 2 -11 -2 -4 3040.77 380.708 2 -11 2 -4 2453.79 341.018 2 -11 -2 -5 29748.4 1393.37 2 -11 2 -5 30191.7 1396.93 2 -11 -2 -6 12901.7 810.207 2 -11 2 -6 13542.6 820.017 2 -11 -2 -7 6235.88 514.759 2 -11 2 -7 5936.30 509.062 2 -11 -2 -8 1486.10 250.283 2 -11 2 -8 1168.87 227.361 2 -11 -2 -9 7491.52 544.564 2 -11 2 -9 8277.05 565.084 2 -11 -2 -10 16379.9 832.780 2 -11 2 -10 15414.7 814.896 2 -11 -2 -11 5718.83 428.494 2 -11 2 -11 5798.54 430.123 2 11 2 11 6048.64 406.034 8 11 2 12 49.3378 47.7507 8 -11 3 16 171.415 89.1350 9 11 3 -15 179.369 78.6783 5 11 3 -14 6118.00 430.728 5 -11 3 14 4935.51 386.232 2 -11 -3 14 5442.46 405.604 2 11 3 -13 14168.6 746.826 5 -11 3 13 13691.8 724.013 2 -11 -3 13 13251.4 721.821 2 11 3 -12 73.0534 91.0760 5 -11 3 12 128.741 102.095 2 -11 -3 12 93.5515 81.4167 2 11 3 -11 2429.65 302.096 5 -11 3 11 2522.87 300.125 2 -11 -3 11 2308.96 293.827 2 11 3 -10 3004.05 338.159 5 -11 3 10 2591.99 309.215 2 -11 -3 10 2871.82 330.660 2 11 3 -9 9966.75 598.482 7 11 3 -9 9899.83 663.341 5 -11 3 9 8576.36 611.774 2 -11 -3 9 9172.30 631.869 2 -11 3 8 784.884 190.371 2 -11 -3 8 786.403 189.885 2 11 3 -8 724.707 160.231 7 -11 3 7 223.456 120.600 2 -11 -3 7-66.2243 131.250 2 11 3 -7 154.871 111.028 7 -11 3 6 4414.55 436.533 2 -11 -3 6 5571.10 488.392 2 11 3 -6 4940.18 441.033 7 11 3 -5 26980.3 1204.95 7 -11 3 5 23073.9 1182.27 2 -11 -3 5 26232.0 1245.75 2 11 3 -4 631.786 164.728 7 -11 3 4 611.141 176.995 2 -11 -3 4 600.073 174.398 2 11 3 -3 2817.87 334.055 7 -11 3 3 2330.72 321.796 2 -11 -3 3 2483.36 334.338 2 11 3 -2 3114.98 358.755 7 -11 3 2 3137.73 366.020 2 -11 -3 2 3352.45 387.302 2 11 3 -1 14518.5 846.346 7 -11 -3 1 15536.3 891.298 2 -11 3 1 14380.6 850.341 2 11 3 0 4248.04 419.660 7 -11 -3 0 4552.30 445.573 2 -11 3 0 3708.58 401.365 2 -11 -3 -1 3972.23 416.042 2 -11 3 -1 3395.30 374.881 2 -11 -3 -2 1363.32 239.123 2 -11 3 -2 1509.42 251.109 2 -11 -3 -3 11158.2 714.450 2 -11 3 -3 10902.6 697.492 2 -11 -3 -4 454.309 138.295 2 -11 3 -4 807.605 200.683 2 -11 -3 -5 4504.78 426.175 2 -11 3 -5 4773.78 423.279 2 11 3 5 5241.74 400.403 8 11 3 6 920.018 171.794 8 -11 -3 -6 876.853 195.846 2 -11 3 -6 749.311 179.907 2 -11 -3 -7 12584.9 726.493 2 -11 3 -7 13638.3 734.252 2 11 3 7 13520.4 704.769 8 -11 -3 -8 9254.94 571.328 2 -11 3 -8 8713.02 550.050 2 11 3 8 9222.71 546.629 8 -11 -3 -9 12878.5 669.888 2 -11 3 -9 11472.7 638.432 2 11 3 9 13079.8 655.573 8 11 3 10 615.312 136.678 8 11 3 11 8298.35 465.584 8 11 4 -14 227.370 88.4794 5 11 4 -13-30.5946 82.5747 5 11 4 -12 88.0479 68.8487 7 11 4 -12 40.1532 85.2139 5 11 4 -11 7872.86 485.579 7 11 4 -11 8216.03 546.847 5 11 4 -10 2243.38 256.899 7 11 4 -10 2485.34 297.526 5 11 4 -9 19.8145 73.6991 7 11 4 -9 96.9760 106.828 5 11 4 -8 2288.78 277.237 7 11 4 -8 2734.62 325.237 5 11 4 -7 11477.9 671.392 7 11 4 -7 10924.1 696.834 5 11 4 -6 2237.90 280.325 7 11 4 -5 49.3708 82.3039 7 11 4 -4 1867.99 266.312 7 11 4 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5 4 5800.74 415.099 7 11 5 5 229.013 94.6783 7 11 5 5 23.7257 57.7235 8 11 5 6 1380.99 181.098 7 11 6 -8 5642.62 370.260 7 11 6 -7 3606.75 293.567 7 11 6 -6 4587.39 338.454 7 11 6 -6 4157.87 321.937 5 11 6 -5 131.026 78.7456 7 11 6 -5 60.7464 59.8771 5 11 6 -4 3425.96 298.335 7 11 6 -4 3155.99 274.913 5 11 6 -3 5799.51 397.796 7 11 6 -3 5197.73 366.039 5 11 6 -2 802.600 146.891 7 11 6 -1 103.601 73.7528 7 11 6 0 7494.34 458.579 7 11 6 1 2506.22 239.343 7 11 6 2 7921.71 456.366 7 -12 0 14 302.325 117.726 2 -12 0 13 116.223 103.468 2 -12 0 12 12945.7 708.752 2 -12 0 11-47.4431 90.6248 2 -12 0 10 8311.27 571.927 2 -12 0 9 102.162 111.221 2 -12 0 8 3262.90 358.434 2 -12 0 7 70.1706 96.2338 2 -12 0 6 1259.57 232.318 2 -12 0 5-137.264 149.353 2 -12 0 4 7251.46 566.766 2 -12 0 3 85.8627 129.219 2 -12 0 2 9313.33 651.204 2 -12 0 1-80.9207 150.696 2 -12 0 0 12050.2 757.998 2 -12 0 -1-76.3445 110.340 2 -12 0 -2 27845.8 1275.19 2 -12 0 -3 98.6715 129.392 2 -12 0 -4 1071.59 209.741 2 -12 0 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320.325 145.345 2 -12 1 -1 290.491 128.794 2 12 1 2 6808.57 448.947 7 -12 -1 -2 6652.47 519.854 2 -12 1 -2 6655.43 520.600 2 -12 -1 -3 5889.52 480.374 2 -12 1 -3 6125.40 487.336 2 -12 -1 -4 8941.63 600.239 2 -12 1 -4 9668.19 617.620 2 -12 -1 -5 3879.46 369.964 2 -12 1 -5 4280.52 386.880 2 -12 -1 -6 6046.42 459.184 2 -12 1 -6 6062.61 457.591 2 -12 -1 -7 1651.65 223.467 2 -12 1 -7 1701.67 231.590 2 -12 -1 -8 14871.6 744.545 2 -12 1 -8 16113.8 765.273 2 -12 2 12 5111.56 377.297 2 -12 -2 12 5295.74 381.837 2 12 2 -11 3544.82 295.665 5 -12 2 11 3905.67 333.964 2 -12 -2 11 3662.95 325.175 2 12 2 -10 1567.65 204.970 5 -12 2 10 1631.75 231.064 2 -12 -2 10 1555.31 224.623 2 -12 -2 9 500.927 146.881 2 12 2 -9 497.156 119.825 5 -12 2 9 387.111 130.375 2 -12 -2 8 8364.73 552.767 2 12 2 -8 8441.97 531.569 5 -12 2 8 7992.09 542.971 2 -12 2 7 10159.2 629.853 2 -12 -2 7 10112.9 632.979 2 -12 2 6 338.976 144.440 2 -12 -2 6 127.420 110.185 2 -12 2 5 3823.54 372.588 2 -12 -2 5 3699.02 371.673 2 -12 2 4 10721.8 665.043 2 -12 -2 4 10986.9 674.488 2 12 2 -3 8173.76 496.039 7 -12 2 3 7747.37 552.726 2 -12 -2 3 7508.78 548.249 2 12 2 -2 6275.62 437.541 7 -12 2 2 5895.56 482.546 2 -12 -2 2 6820.08 512.351 2 12 2 -1 4290.77 356.573 7 -12 2 1 4353.36 402.766 2 -12 -2 1 4326.00 400.262 2 12 2 0 2844.54 281.539 7 -12 2 0 2813.50 317.754 2 -12 -2 0 2837.84 329.105 2 12 2 1 7822.01 499.916 7 -12 2 -1 7735.14 544.969 2 -12 -2 -1 8035.65 555.389 2 12 2 2 2058.38 242.626 7 -12 -2 -2 1611.70 244.110 2 -12 2 -2 1667.28 238.095 2 12 2 3 4138.47 348.083 7 -12 -2 -3 4871.84 401.313 2 -12 2 -3 4554.13 389.311 2 12 2 4 10055.8 564.401 7 -12 -2 -4 10001.5 601.025 2 -12 2 -4 9698.17 594.467 2 -12 -2 -5 16358.1 814.033 2 -12 2 -5 17172.7 821.532 2 -12 -2 -6 5870.02 422.032 2 -12 2 -6 6077.77 422.520 2 12 3 -11 1620.32 192.885 5 12 3 -10 4598.08 345.100 5 12 3 -9 10821.6 592.342 5 12 3 -8 511.818 135.170 5 -12 3 8 218.737 93.4560 2 -12 -3 8 440.149 121.473 2 -12 3 7 206.460 106.120 2 -12 -3 7 93.4560 86.5404 2 12 3 -7-23.4112 92.5173 5 -12 3 6 9858.99 568.091 2 -12 -3 6 9805.35 568.879 2 12 3 -6 9590.89 529.353 7 -12 3 5 27858.6 1170.63 2 -12 -3 5 29229.0 1191.99 2 12 3 -5 29283.6 1150.58 7 -12 3 4 95.6710 107.104 2 -12 -3 4 45.9488 91.8773 2 12 3 -4 95.3591 71.5650 7 -12 3 3 11186.8 631.191 2 -12 -3 3 11315.3 638.108 2 12 3 -3 12216.9 634.299 7 -12 3 2 3924.73 343.316 2 -12 -3 2 3657.28 337.340 2 12 3 -2 4209.59 345.036 7 12 3 -1 4219.23 345.912 7 -12 3 1 3779.63 333.779 2 -12 -3 1 3807.94 336.498 2 12 3 0 629.398 136.511 7 -12 3 0 274.508 108.423 2 -12 -3 0 329.351 103.745 2 12 3 1 193.150 91.2673 7 -12 3 -1 279.123 107.521 2 -12 -3 -1 111.804 91.2364 2 12 3 2 6376.25 426.775 7 -12 3 -2 5843.26 404.041 2 -12 -3 -2 5276.74 398.246 2 12 3 3 19424.4 869.730 7 12 3 4 1938.71 225.338 7 12 3 5 5598.21 378.597 7 12 4 -8 5030.95 362.126 5 12 4 -7 22295.8 950.585 5 12 4 -6 303.054 98.2423 7 12 4 -6 202.565 98.5218 5 12 4 -5-15.4820 69.6532 7 12 4 -5 159.015 90.2701 5 12 4 -4 823.105 146.732 7 12 4 -4 962.397 169.462 5 12 4 -3 28065.8 1114.38 7 12 4 -2 248.993 88.2451 7 12 4 -1 5578.21 386.150 7 12 4 0 1010.79 159.802 7 12 4 1 12412.6 622.186 7 12 4 2 783.497 141.013 7 12 4 3 548.660 116.853 7 -13 0 5 61.0197 79.1615 2 -13 0 4 8488.76 506.811 2 -13 0 3-87.4586 92.5763 2 -13 0 2 1895.50 223.479 2 -13 0 1 25.2492 70.0681 2 0 0 0 0.00 0.00 0 TITL wu-ph in P2(1)/c REM P2(1)/c (#14 in standard setting) CELL 1.54184 10.731861 9.791354 24.635441 90.0000 96.1359 90.0000 ZERR 3.00 0.000113 0.000121 0.000271 0.0000 0.0010 0.0000 LATT 1 SYMM -x, y+1/2,-z+1/2 SFAC C H N O S Pd UNIT 150.00 60.00 12.00 6.00 3.00 3.00 TREF HKLF 4 END ; _shelx_hkl_checksum 4958